1 VAL 37 N 0.0132 0.0066 0.0072 2 VAL 37 CA 0.0135 0.0056 0.0067 3 VAL 37 C 0.0106 0.0048 0.0059 4 VAL 37 O 0.0098 0.0046 0.0057 5 VAL 37 CB 0.0147 0.0075 0.0079 6 VAL 37 CG1 0.0179 0.0076 0.0084 7 VAL 37 CG2 0.0134 0.0101 0.0091 8 LEU 38 N 0.0089 0.0042 0.0053 9 LEU 38 CA 0.0060 0.0034 0.0045 10 LEU 38 C 0.0061 0.0008 0.0031 11 LEU 38 O 0.0045 0.0004 0.0027 12 LEU 38 CB 0.0044 0.0034 0.0043 13 LEU 38 CG 0.0027 0.0058 0.0053 14 LEU 38 CD1 0.0001 0.0065 0.0053 15 LEU 38 CD2 0.0045 0.0081 0.0068 16 TYR 39 N 0.0078 -0.0010 0.0024 17 TYR 39 CA 0.0082 -0.0036 0.0011 18 TYR 39 C 0.0054 -0.0050 -0.0000 19 TYR 39 O 0.0045 -0.0056 -0.0005 20 TYR 39 CB 0.0097 -0.0037 0.0013 21 TYR 39 CG 0.0128 -0.0030 0.0020 22 TYR 39 CD1 0.0150 -0.0048 0.0014 23 TYR 39 CD2 0.0136 -0.0006 0.0034 24 TYR 39 CE1 0.0178 -0.0042 0.0021 25 TYR 39 CE2 0.0163 -0.0000 0.0041 26 TYR 39 CZ 0.0184 -0.0018 0.0035 27 TYR 39 OH 0.0212 -0.0012 0.0042 28 VAL 40 N 0.0042 -0.0053 -0.0004 29 VAL 40 CA 0.0015 -0.0067 -0.0014 30 VAL 40 C 0.0022 -0.0095 -0.0028 31 VAL 40 O 0.0006 -0.0107 -0.0037 32 VAL 40 CB 0.0000 -0.0061 -0.0013 33 VAL 40 CG1 -0.0027 -0.0075 -0.0025 34 VAL 40 CG2 -0.0007 -0.0032 0.0001 35 GLY 41 N 0.0053 -0.0110 -0.0022 36 GLY 41 CA 0.0053 -0.0105 -0.0027 37 GLY 41 C 0.0047 -0.0105 -0.0018 38 GLY 41 O 0.0049 -0.0108 -0.0019 39 SER 42 N 0.0039 -0.0102 -0.0011 40 SER 42 CA 0.0033 -0.0104 -0.0001 41 SER 42 C 0.0030 -0.0098 -0.0004 42 SER 42 O 0.0029 -0.0102 0.0001 43 SER 42 CB 0.0024 -0.0101 0.0006 44 SER 42 OG 0.0018 -0.0102 0.0015 45 LYS 43 N 0.0028 -0.0088 -0.0011 46 LYS 43 CA 0.0027 -0.0082 -0.0015 47 LYS 43 C 0.0029 -0.0074 -0.0025 48 LYS 43 O 0.0024 -0.0067 -0.0025 49 LYS 43 CB 0.0018 -0.0078 -0.0008 50 LYS 43 CG 0.0018 -0.0073 -0.0012 51 LYS 43 CD 0.0009 -0.0069 -0.0004 52 LYS 43 CE 0.0009 -0.0065 -0.0008 53 LYS 43 NZ 0.0010 -0.0056 -0.0018 54 THR 44 N 0.0036 -0.0074 -0.0034 55 THR 44 CA 0.0037 -0.0066 -0.0044 56 THR 44 C 0.0037 -0.0062 -0.0048 57 THR 44 O 0.0040 -0.0068 -0.0045 58 THR 44 CB 0.0046 -0.0069 -0.0052 59 THR 44 OG1 0.0053 -0.0077 -0.0053 60 THR 44 CG2 0.0046 -0.0074 -0.0048 61 LYS 45 N -0.0029 -0.0018 -0.0059 62 LYS 45 CA -0.0032 -0.0009 -0.0051 63 LYS 45 C -0.0021 -0.0006 -0.0043 64 LYS 45 O -0.0015 -0.0008 -0.0042 65 LYS 45 CB -0.0039 -0.0007 -0.0053 66 LYS 45 CG -0.0045 0.0003 -0.0045 67 LYS 45 CD -0.0053 0.0004 -0.0048 68 LYS 45 CE -0.0059 0.0014 -0.0040 69 LYS 45 NZ -0.0067 0.0016 -0.0043 70 GLU 46 N -0.0018 -0.0002 -0.0037 71 GLU 46 CA -0.0006 -0.0001 -0.0030 72 GLU 46 C -0.0006 0.0008 -0.0021 73 GLU 46 O -0.0011 0.0011 -0.0020 74 GLU 46 CB 0.0002 -0.0009 -0.0035 75 GLU 46 CG -0.0003 -0.0011 -0.0039 76 GLU 46 CD 0.0004 -0.0020 -0.0045 77 GLU 46 OE1 0.0012 -0.0025 -0.0046 78 GLU 46 OE2 0.0001 -0.0022 -0.0049 79 GLY 47 N -0.0002 0.0013 -0.0013 80 GLY 47 CA -0.0002 0.0022 -0.0004 81 GLY 47 C -0.0013 0.0029 -0.0002 82 GLY 47 O -0.0019 0.0036 0.0002 83 VAL 48 N -0.0018 0.0028 -0.0005 84 VAL 48 CA -0.0029 0.0034 -0.0005 85 VAL 48 C -0.0028 0.0039 0.0001 86 VAL 48 O -0.0021 0.0036 0.0001 87 VAL 48 CB -0.0037 0.0027 -0.0016 88 VAL 48 CG1 -0.0049 0.0033 -0.0016 89 VAL 48 CG2 -0.0038 0.0022 -0.0022 90 VAL 49 N -0.0063 0.0072 0.0006 91 VAL 49 CA -0.0058 0.0068 0.0013 92 VAL 49 C -0.0061 0.0071 0.0010 93 VAL 49 O -0.0071 0.0075 0.0010 94 VAL 49 CB -0.0061 0.0067 0.0026 95 VAL 49 CG1 -0.0057 0.0063 0.0032 96 VAL 49 CG2 -0.0056 0.0063 0.0029 97 HIS 50 N -0.0054 0.0068 0.0007 98 HIS 50 CA -0.0058 0.0070 0.0004 99 HIS 50 C -0.0050 0.0066 0.0007 100 HIS 50 O -0.0041 0.0062 0.0005 101 HIS 50 CB -0.0060 0.0074 -0.0008 102 HIS 50 CG -0.0051 0.0072 -0.0017 103 HIS 50 ND1 -0.0045 0.0070 -0.0021 104 HIS 50 CD2 -0.0047 0.0071 -0.0022 105 HIS 50 CE1 -0.0038 0.0069 -0.0028 106 HIS 50 NE2 -0.0039 0.0069 -0.0030 107 GLY 51 N -0.0054 0.0067 0.0012 108 GLY 51 CA -0.0048 0.0063 0.0015 109 GLY 51 C -0.0044 0.0059 0.0026 110 GLY 51 O -0.0034 0.0054 0.0026 111 VAL 52 N -0.0050 0.0059 0.0035 112 VAL 52 CA -0.0047 0.0055 0.0046 113 VAL 52 C -0.0050 0.0055 0.0054 114 VAL 52 O -0.0060 0.0059 0.0055 115 VAL 52 CB -0.0051 0.0056 0.0051 116 VAL 52 CG1 -0.0048 0.0052 0.0063 117 VAL 52 CG2 -0.0046 0.0056 0.0044 118 ALA 53 N -0.0012 0.0032 0.0078 119 ALA 53 CA -0.0008 0.0023 0.0073 120 ALA 53 C -0.0017 0.0016 0.0068 121 ALA 53 O -0.0024 0.0018 0.0068 122 ALA 53 CB 0.0001 0.0021 0.0073 123 THR 54 N -0.0016 0.0009 0.0063 124 THR 54 CA -0.0025 0.0002 0.0058 125 THR 54 C -0.0020 -0.0007 0.0053 126 THR 54 O -0.0014 -0.0009 0.0052 127 THR 54 CB -0.0033 0.0005 0.0059 128 THR 54 OG1 -0.0037 0.0014 0.0064 129 THR 54 CG2 -0.0042 -0.0002 0.0054 130 VAL 55 N -0.0023 -0.0013 0.0048 131 VAL 55 CA -0.0019 -0.0023 0.0043 132 VAL 55 C -0.0029 -0.0028 0.0038 133 VAL 55 O -0.0036 -0.0027 0.0038 134 VAL 55 CB -0.0012 -0.0026 0.0042 135 VAL 55 CG1 -0.0009 -0.0036 0.0036 136 VAL 55 CG2 -0.0002 -0.0021 0.0046 137 ALA 56 N -0.0030 -0.0034 0.0034 138 ALA 56 CA -0.0040 -0.0040 0.0030 139 ALA 56 C -0.0035 -0.0050 0.0024 140 ALA 56 O -0.0031 -0.0052 0.0023 141 ALA 56 CB -0.0047 -0.0037 0.0031 142 GLU 57 N -0.0025 -0.0037 -0.0003 143 GLU 57 CA -0.0022 -0.0044 -0.0011 144 GLU 57 C -0.0031 -0.0048 -0.0017 145 GLU 57 O -0.0039 -0.0048 -0.0018 146 GLU 57 CB -0.0018 -0.0047 -0.0013 147 GLU 57 CG -0.0008 -0.0044 -0.0008 148 GLU 57 CD -0.0005 -0.0047 -0.0011 149 GLU 57 OE1 -0.0011 -0.0050 -0.0016 150 GLU 57 OE2 0.0003 -0.0045 -0.0008 151 LYS 58 N -0.0030 -0.0051 -0.0020 152 LYS 58 CA -0.0038 -0.0053 -0.0025 153 LYS 58 C -0.0035 -0.0061 -0.0033 154 LYS 58 O -0.0029 -0.0062 -0.0033 155 LYS 58 CB -0.0042 -0.0049 -0.0020 156 LYS 58 CG -0.0048 -0.0042 -0.0013 157 LYS 58 CD -0.0052 -0.0038 -0.0009 158 LYS 58 CE -0.0057 -0.0031 -0.0001 159 LYS 58 NZ -0.0061 -0.0027 0.0003 160 THR 59 N -0.0039 -0.0065 -0.0039 161 THR 59 CA -0.0035 -0.0073 -0.0047 162 THR 59 C -0.0039 -0.0075 -0.0051 163 THR 59 O -0.0034 -0.0079 -0.0055 164 THR 59 CB -0.0038 -0.0077 -0.0053 165 THR 59 OG1 -0.0035 -0.0075 -0.0050 166 THR 59 CG2 -0.0034 -0.0084 -0.0061 167 LYS 60 N -0.0048 -0.0072 -0.0049 168 LYS 60 CA -0.0052 -0.0073 -0.0051 169 LYS 60 C -0.0060 -0.0067 -0.0045 170 LYS 60 O -0.0068 -0.0065 -0.0044 171 LYS 60 CB -0.0058 -0.0080 -0.0060 172 LYS 60 CG -0.0061 -0.0082 -0.0063 173 LYS 60 CD -0.0065 -0.0089 -0.0072 174 LYS 60 CE -0.0068 -0.0091 -0.0075 175 LYS 60 NZ -0.0072 -0.0098 -0.0084 176 GLU 61 N -0.0096 0.0002 -0.0034 177 GLU 61 CA -0.0097 0.0000 -0.0024 178 GLU 61 C -0.0099 0.0006 -0.0012 179 GLU 61 O -0.0098 0.0018 -0.0011 180 GLU 61 CB -0.0096 0.0006 -0.0029 181 GLU 61 CG -0.0098 0.0004 -0.0019 182 GLU 61 CD -0.0097 0.0010 -0.0024 183 GLU 61 OE1 -0.0095 0.0015 -0.0035 184 GLU 61 OE2 -0.0098 0.0009 -0.0017 185 GLN 62 N -0.0100 -0.0001 -0.0002 186 GLN 62 CA -0.0102 0.0003 0.0010 187 GLN 62 C -0.0104 -0.0001 0.0020 188 GLN 62 O -0.0105 -0.0012 0.0022 189 GLN 62 CB -0.0103 -0.0003 0.0012 190 GLN 62 CG -0.0104 0.0002 0.0024 191 GLN 62 CD -0.0105 -0.0003 0.0025 192 GLN 62 OE1 -0.0104 -0.0010 0.0018 193 GLN 62 NE2 -0.0106 0.0001 0.0036 194 VAL 63 N -0.0104 0.0009 0.0027 195 VAL 63 CA -0.0106 0.0006 0.0037 196 VAL 63 C -0.0107 0.0013 0.0048 197 VAL 63 O -0.0107 0.0025 0.0050 198 VAL 63 CB -0.0105 0.0011 0.0034 199 VAL 63 CG1 -0.0107 0.0009 0.0045 200 VAL 63 CG2 -0.0104 0.0004 0.0023 201 THR 64 N -0.0109 0.0006 0.0057 202 THR 64 CA -0.0110 0.0012 0.0068 203 THR 64 C -0.0112 0.0005 0.0080 204 THR 64 O -0.0113 -0.0005 0.0082 205 THR 64 CB -0.0110 0.0011 0.0068 206 THR 64 OG1 -0.0111 -0.0002 0.0069 207 THR 64 CG2 -0.0108 0.0016 0.0055 208 ASN 65 N -0.0088 0.0050 0.0087 209 ASN 65 CA -0.0073 0.0049 0.0081 210 ASN 65 C -0.0072 0.0050 0.0082 211 ASN 65 O -0.0085 0.0049 0.0085 212 ASN 65 CB -0.0070 0.0040 0.0066 213 ASN 65 CG -0.0079 0.0031 0.0055 214 ASN 65 OD1 -0.0086 0.0031 0.0056 215 ASN 65 ND2 -0.0080 0.0024 0.0044 216 VAL 66 N -0.0058 0.0051 0.0081 217 VAL 66 CA -0.0056 0.0050 0.0079 218 VAL 66 C -0.0046 0.0043 0.0066 219 VAL 66 O -0.0035 0.0042 0.0062 220 VAL 66 CB -0.0050 0.0058 0.0091 221 VAL 66 CG1 -0.0058 0.0066 0.0105 222 VAL 66 CG2 -0.0032 0.0061 0.0091 223 GLY 67 N -0.0051 0.0037 0.0058 224 GLY 67 CA -0.0042 0.0030 0.0045 225 GLY 67 C -0.0041 0.0023 0.0034 226 GLY 67 O -0.0033 0.0017 0.0023 227 GLY 68 N -0.0048 0.0023 0.0036 228 GLY 68 CA -0.0045 0.0017 0.0026 229 GLY 68 C -0.0061 0.0013 0.0022 230 GLY 68 O -0.0074 0.0015 0.0028 231 ALA 69 N -0.0054 0.0025 0.0014 232 ALA 69 CA -0.0057 0.0020 0.0017 233 ALA 69 C -0.0063 0.0021 0.0020 234 ALA 69 O -0.0064 0.0021 0.0021 235 ALA 69 CB -0.0055 0.0014 0.0017 236 VAL 70 N -0.0067 0.0023 0.0022 237 VAL 70 CA -0.0073 0.0025 0.0024 238 VAL 70 C -0.0076 0.0020 0.0027 239 VAL 70 O -0.0076 0.0018 0.0028 240 VAL 70 CB -0.0075 0.0031 0.0024 241 VAL 70 CG1 -0.0081 0.0032 0.0026 242 VAL 70 CG2 -0.0072 0.0036 0.0021 243 VAL 71 N -0.0080 0.0018 0.0030 244 VAL 71 CA -0.0084 0.0014 0.0033 245 VAL 71 C -0.0089 0.0017 0.0035 246 VAL 71 O -0.0091 0.0020 0.0035 247 VAL 71 CB -0.0083 0.0008 0.0034 248 VAL 71 CG1 -0.0088 0.0005 0.0038 249 VAL 71 CG2 -0.0078 0.0005 0.0032 250 THR 72 N -0.0092 0.0017 0.0037 251 THR 72 CA -0.0098 0.0021 0.0039 252 THR 72 C -0.0102 0.0016 0.0042 253 THR 72 O -0.0102 0.0014 0.0043 254 THR 72 CB -0.0098 0.0026 0.0038 255 THR 72 OG1 -0.0097 0.0023 0.0038 256 THR 72 CG2 -0.0094 0.0030 0.0034 257 GLY 73 N -0.0094 0.0023 0.0067 258 GLY 73 CA -0.0089 0.0025 0.0067 259 GLY 73 C -0.0088 0.0029 0.0066 260 GLY 73 O -0.0086 0.0028 0.0066 261 VAL 74 N -0.0090 0.0034 0.0065 262 VAL 74 CA -0.0088 0.0039 0.0064 263 VAL 74 C -0.0083 0.0041 0.0064 264 VAL 74 O -0.0081 0.0040 0.0064 265 VAL 74 CB -0.0093 0.0043 0.0063 266 VAL 74 CG1 -0.0099 0.0041 0.0063 267 VAL 74 CG2 -0.0092 0.0047 0.0062 268 THR 75 N -0.0080 0.0044 0.0064 269 THR 75 CA -0.0074 0.0045 0.0064 270 THR 75 C -0.0073 0.0050 0.0063 271 THR 75 O -0.0075 0.0051 0.0062 272 THR 75 CB -0.0070 0.0041 0.0065 273 THR 75 OG1 -0.0071 0.0036 0.0065 274 THR 75 CG2 -0.0064 0.0043 0.0065 275 ALA 76 N -0.0070 0.0055 0.0062 276 ALA 76 CA -0.0068 0.0060 0.0061 277 ALA 76 C -0.0073 0.0063 0.0060 278 ALA 76 O -0.0073 0.0065 0.0060 279 ALA 76 CB -0.0064 0.0058 0.0062 280 VAL 77 N -0.0075 0.0071 0.0060 281 VAL 77 CA -0.0074 0.0070 0.0060 282 VAL 77 C -0.0069 0.0061 0.0051 283 VAL 77 O -0.0060 0.0055 0.0050 284 VAL 77 CB -0.0065 0.0074 0.0072 285 VAL 77 CG1 -0.0064 0.0073 0.0072 286 VAL 77 CG2 -0.0070 0.0083 0.0081 287 ALA 78 N -0.0074 0.0059 0.0045 288 ALA 78 CA -0.0070 0.0050 0.0035 289 ALA 78 C -0.0072 0.0049 0.0033 290 ALA 78 O -0.0082 0.0052 0.0028 291 ALA 78 CB -0.0077 0.0047 0.0025 292 GLN 79 N -0.0063 0.0045 0.0035 293 GLN 79 CA -0.0063 0.0044 0.0032 294 GLN 79 C -0.0058 0.0034 0.0024 295 GLN 79 O -0.0052 0.0028 0.0021 296 GLN 79 CB -0.0057 0.0048 0.0043 297 GLN 79 CG -0.0044 0.0043 0.0047 298 GLN 79 CD -0.0039 0.0047 0.0057 299 GLN 79 OE1 -0.0045 0.0053 0.0061 300 GLN 79 NE2 -0.0028 0.0043 0.0062 301 LYS 80 N -0.0060 0.0032 0.0019 302 LYS 80 CA -0.0054 0.0023 0.0012 303 LYS 80 C -0.0051 0.0024 0.0016 304 LYS 80 O -0.0057 0.0031 0.0020 305 LYS 80 CB -0.0061 0.0019 -0.0000 306 LYS 80 CG -0.0054 0.0009 -0.0008 307 LYS 80 CD -0.0061 0.0004 -0.0020 308 LYS 80 CE -0.0053 -0.0005 -0.0026 309 LYS 80 NZ -0.0059 -0.0010 -0.0038 310 THR 81 N -0.0053 0.0027 0.0018 311 THR 81 CA -0.0039 0.0027 0.0030 312 THR 81 C -0.0032 0.0004 0.0025 313 THR 81 O -0.0025 -0.0011 0.0023 314 THR 81 CB -0.0024 0.0034 0.0046 315 THR 81 OG1 -0.0032 0.0055 0.0051 316 THR 81 CG2 -0.0010 0.0035 0.0058 317 VAL 82 N -0.0033 0.0002 0.0023 318 VAL 82 CA -0.0024 -0.0017 0.0020 319 VAL 82 C -0.0007 -0.0014 0.0036 320 VAL 82 O -0.0009 0.0000 0.0042 321 VAL 82 CB -0.0037 -0.0023 0.0007 322 VAL 82 CG1 -0.0026 -0.0042 0.0006 323 VAL 82 CG2 -0.0052 -0.0027 -0.0009 324 GLU 83 N 0.0009 -0.0028 0.0043 325 GLU 83 CA 0.0026 -0.0028 0.0058 326 GLU 83 C 0.0030 -0.0007 0.0072 327 GLU 83 O 0.0032 0.0005 0.0079 328 GLU 83 CB 0.0028 -0.0035 0.0056 329 GLU 83 CG 0.0027 -0.0057 0.0044 330 GLU 83 CD 0.0030 -0.0064 0.0043 331 GLU 83 OE1 0.0030 -0.0050 0.0050 332 GLU 83 OE2 0.0031 -0.0082 0.0034 333 GLY 84 N 0.0032 -0.0002 0.0076 334 GLY 84 CA 0.0037 0.0017 0.0090 335 GLY 84 C 0.0038 0.0019 0.0092 336 GLY 84 O 0.0033 0.0007 0.0081 337 ALA 85 N 0.0009 0.0020 0.0097 338 ALA 85 CA 0.0006 0.0022 0.0093 339 ALA 85 C 0.0004 0.0029 0.0088 340 ALA 85 O 0.0008 0.0034 0.0088 341 ALA 85 CB 0.0011 0.0023 0.0096 342 GLY 86 N -0.0003 0.0029 0.0084 343 GLY 86 CA -0.0005 0.0035 0.0079 344 GLY 86 C -0.0008 0.0038 0.0075 345 GLY 86 O -0.0014 0.0034 0.0074 346 SER 87 N -0.0005 0.0044 0.0074 347 SER 87 CA -0.0007 0.0048 0.0071 348 SER 87 C -0.0009 0.0054 0.0066 349 SER 87 O -0.0005 0.0060 0.0065 350 SER 87 CB -0.0002 0.0050 0.0073 351 SER 87 OG -0.0000 0.0044 0.0077 352 ILE 88 N -0.0016 0.0053 0.0062 353 ILE 88 CA -0.0019 0.0059 0.0057 354 ILE 88 C -0.0018 0.0066 0.0054 355 ILE 88 O -0.0014 0.0071 0.0053 356 ILE 88 CB -0.0027 0.0056 0.0054 357 ILE 88 CG1 -0.0027 0.0050 0.0057 358 ILE 88 CG2 -0.0030 0.0061 0.0049 359 ILE 88 CD1 -0.0034 0.0046 0.0055 360 ALA 89 N -0.0049 -0.0019 0.0064 361 ALA 89 CA -0.0048 -0.0013 0.0054 362 ALA 89 C -0.0046 -0.0008 0.0045 363 ALA 89 O -0.0053 0.0000 0.0043 364 ALA 89 CB -0.0058 -0.0005 0.0055 365 ALA 90 N -0.0036 -0.0013 0.0040 366 ALA 90 CA -0.0033 -0.0009 0.0032 367 ALA 90 C -0.0026 -0.0006 0.0021 368 ALA 90 O -0.0021 -0.0009 0.0020 369 ALA 90 CB -0.0026 -0.0017 0.0035 370 ALA 91 N -0.0027 0.0001 0.0012 371 ALA 91 CA -0.0022 0.0006 0.0001 372 ALA 91 C -0.0019 0.0009 -0.0006 373 ALA 91 O -0.0026 0.0016 -0.0007 374 ALA 91 CB -0.0029 0.0014 -0.0001 375 THR 92 N -0.0009 0.0006 -0.0013 376 THR 92 CA -0.0005 0.0009 -0.0021 377 THR 92 C 0.0001 0.0013 -0.0032 378 THR 92 O 0.0006 0.0009 -0.0033 379 THR 92 CB 0.0002 0.0000 -0.0018 380 THR 92 OG1 0.0011 -0.0007 -0.0020 381 THR 92 CG2 -0.0003 -0.0004 -0.0007 382 GLY 93 N 0.0155 0.0048 -0.0058 383 GLY 93 CA 0.0180 0.0060 -0.0115 384 GLY 93 C 0.0223 0.0050 -0.0121 385 GLY 93 O 0.0266 0.0048 -0.0154 386 PHE 94 N 0.0210 0.0043 -0.0090 387 PHE 94 CA 0.0244 0.0033 -0.0092 388 PHE 94 C 0.0243 0.0013 -0.0033 389 PHE 94 O 0.0197 0.0017 -0.0003 390 PHE 94 CB 0.0222 0.0054 -0.0133 391 PHE 94 CG 0.0231 0.0072 -0.0194 392 PHE 94 CD1 0.0282 0.0067 -0.0226 393 PHE 94 CD2 0.0190 0.0093 -0.0220 394 PHE 94 CE1 0.0290 0.0084 -0.0283 395 PHE 94 CE2 0.0199 0.0110 -0.0276 396 PHE 94 CZ 0.0249 0.0105 -0.0308 397 VAL 95 N 0.0292 -0.0007 -0.0017 398 VAL 95 CA 0.0296 -0.0026 0.0035 399 VAL 95 C 0.0335 -0.0033 0.0019 400 VAL 95 O 0.0385 -0.0041 -0.0001 401 VAL 95 CB 0.0320 -0.0049 0.0082 402 VAL 95 CG1 0.0330 -0.0070 0.0132 403 VAL 95 CG2 0.0279 -0.0044 0.0102 404 LYS 96 N 0.0313 -0.0030 0.0030 405 LYS 96 CA 0.0345 -0.0035 0.0016 406 LYS 96 C 0.0348 -0.0054 0.0069 407 LYS 96 O 0.0325 -0.0062 0.0116 408 LYS 96 CB 0.0318 -0.0011 -0.0029 409 LYS 96 CG 0.0319 0.0008 -0.0087 410 LYS 96 CD 0.0379 0.0001 -0.0117 411 LYS 96 CE 0.0380 0.0020 -0.0174 412 LYS 96 NZ 0.0349 0.0043 -0.0216 413 LYS 97 N 0.0449 0.0162 0.0105 414 LYS 97 CA 0.0428 0.0216 0.0152 415 LYS 97 C 0.0366 0.0209 0.0174 416 LYS 97 O 0.0358 0.0179 0.0157 417 LYS 97 CB 0.0481 0.0268 0.0163 418 LYS 97 CG 0.0466 0.0328 0.0211 419 LYS 97 CD 0.0465 0.0346 0.0224 420 LYS 97 CE 0.0448 0.0405 0.0272 421 LYS 97 NZ 0.0500 0.0452 0.0281 422 ASP 98 N 0.0322 0.0237 0.0213 423 ASP 98 CA 0.0263 0.0240 0.0240 424 ASP 98 C 0.0255 0.0303 0.0287 425 ASP 98 O 0.0296 0.0341 0.0295 426 ASP 98 CB 0.0205 0.0194 0.0234 427 ASP 98 CG 0.0148 0.0180 0.0250 428 ASP 98 OD1 0.0152 0.0207 0.0267 429 ASP 98 OD2 0.0099 0.0142 0.0245 430 GLN 99 N 0.0202 0.0314 0.0318 431 GLN 99 CA 0.0187 0.0371 0.0364 432 GLN 99 C 0.0172 0.0388 0.0382 433 GLN 99 O 0.0198 0.0435 0.0403 434 GLN 99 CB 0.0129 0.0373 0.0391 435 GLN 99 CG 0.0112 0.0432 0.0439 436 GLN 99 CD 0.0055 0.0433 0.0464 437 GLN 99 OE1 0.0027 0.0388 0.0446 438 GLN 99 NE2 0.0038 0.0483 0.0507 439 VAL 37 N 0.0094 0.0061 0.0058 440 VAL 37 CA 0.0095 0.0052 0.0052 441 VAL 37 C 0.0071 0.0045 0.0047 442 VAL 37 O 0.0065 0.0042 0.0045 443 VAL 37 CB 0.0104 0.0066 0.0061 444 VAL 37 CG1 0.0129 0.0067 0.0063 445 VAL 37 CG2 0.0093 0.0086 0.0072 446 LEU 38 N 0.0059 0.0041 0.0044 447 LEU 38 CA 0.0036 0.0034 0.0039 448 LEU 38 C 0.0035 0.0013 0.0026 449 LEU 38 O 0.0022 0.0009 0.0023 450 LEU 38 CB 0.0024 0.0036 0.0039 451 LEU 38 CG 0.0011 0.0054 0.0050 452 LEU 38 CD1 -0.0011 0.0058 0.0051 453 LEU 38 CD2 0.0025 0.0072 0.0061 454 TYR 39 N 0.0050 0.0000 0.0019 455 TYR 39 CA 0.0053 -0.0020 0.0007 456 TYR 39 C 0.0030 -0.0031 -0.0000 457 TYR 39 O 0.0022 -0.0038 -0.0005 458 TYR 39 CB 0.0064 -0.0022 0.0006 459 TYR 39 CG 0.0088 -0.0016 0.0011 460 TYR 39 CD1 0.0105 -0.0029 0.0004 461 TYR 39 CD2 0.0094 0.0002 0.0022 462 TYR 39 CE1 0.0128 -0.0023 0.0009 463 TYR 39 CE2 0.0116 0.0007 0.0026 464 TYR 39 CZ 0.0133 -0.0005 0.0020 465 TYR 39 OH 0.0155 0.0000 0.0024 466 VAL 40 N 0.0021 -0.0033 -0.0002 467 VAL 40 CA 0.0000 -0.0043 -0.0009 468 VAL 40 C 0.0005 -0.0065 -0.0022 469 VAL 40 O -0.0008 -0.0076 -0.0029 470 VAL 40 CB -0.0011 -0.0038 -0.0006 471 VAL 40 CG1 -0.0032 -0.0049 -0.0014 472 VAL 40 CG2 -0.0016 -0.0016 0.0007 473 GLY 41 N 0.0034 -0.0075 -0.0025 474 GLY 41 CA 0.0034 -0.0072 -0.0030 475 GLY 41 C 0.0030 -0.0072 -0.0024 476 GLY 41 O 0.0033 -0.0074 -0.0025 477 SER 42 N 0.0024 -0.0070 -0.0019 478 SER 42 CA 0.0020 -0.0071 -0.0012 479 SER 42 C 0.0019 -0.0067 -0.0015 480 SER 42 O 0.0019 -0.0070 -0.0012 481 SER 42 CB 0.0014 -0.0069 -0.0006 482 SER 42 OG 0.0010 -0.0070 0.0000 483 LYS 43 N 0.0017 -0.0061 -0.0021 484 LYS 43 CA 0.0017 -0.0057 -0.0025 485 LYS 43 C 0.0017 -0.0052 -0.0033 486 LYS 43 O 0.0012 -0.0047 -0.0033 487 LYS 43 CB 0.0010 -0.0054 -0.0020 488 LYS 43 CG 0.0011 -0.0051 -0.0024 489 LYS 43 CD 0.0005 -0.0048 -0.0019 490 LYS 43 CE 0.0005 -0.0046 -0.0023 491 LYS 43 NZ 0.0005 -0.0040 -0.0031 492 THR 44 N 0.0022 -0.0052 -0.0039 493 THR 44 CA 0.0022 -0.0047 -0.0047 494 THR 44 C 0.0023 -0.0045 -0.0051 495 THR 44 O 0.0026 -0.0049 -0.0049 496 THR 44 CB 0.0028 -0.0049 -0.0052 497 THR 44 OG1 0.0034 -0.0055 -0.0053 498 THR 44 CG2 0.0028 -0.0052 -0.0048 499 LYS 45 N -0.0012 -0.0021 -0.0053 500 LYS 45 CA -0.0016 -0.0013 -0.0046 501 LYS 45 C -0.0006 -0.0010 -0.0039 502 LYS 45 O -0.0000 -0.0011 -0.0038 503 LYS 45 CB -0.0022 -0.0012 -0.0046 504 LYS 45 CG -0.0026 -0.0003 -0.0039 505 LYS 45 CD -0.0034 -0.0002 -0.0040 506 LYS 45 CE -0.0039 0.0007 -0.0033 507 LYS 45 NZ -0.0046 0.0008 -0.0034 508 GLU 46 N -0.0003 -0.0007 -0.0035 509 GLU 46 CA 0.0007 -0.0006 -0.0030 510 GLU 46 C 0.0007 0.0001 -0.0022 511 GLU 46 O 0.0003 0.0003 -0.0022 512 GLU 46 CB 0.0014 -0.0013 -0.0035 513 GLU 46 CG 0.0010 -0.0016 -0.0039 514 GLU 46 CD 0.0016 -0.0023 -0.0045 515 GLU 46 OE1 0.0024 -0.0027 -0.0046 516 GLU 46 OE2 0.0014 -0.0026 -0.0049 517 GLY 47 N 0.0012 0.0006 -0.0016 518 GLY 47 CA 0.0011 0.0014 -0.0008 519 GLY 47 C 0.0001 0.0020 -0.0006 520 GLY 47 O -0.0003 0.0024 -0.0002 521 VAL 48 N -0.0002 0.0019 -0.0007 522 VAL 48 CA -0.0013 0.0023 -0.0006 523 VAL 48 C -0.0012 0.0029 -0.0000 524 VAL 48 O -0.0005 0.0027 -0.0000 525 VAL 48 CB -0.0019 0.0018 -0.0015 526 VAL 48 CG1 -0.0030 0.0022 -0.0014 527 VAL 48 CG2 -0.0020 0.0012 -0.0020 528 VAL 49 N -0.0040 0.0063 0.0003 529 VAL 49 CA -0.0035 0.0061 0.0010 530 VAL 49 C -0.0039 0.0062 0.0009 531 VAL 49 O -0.0047 0.0064 0.0009 532 VAL 49 CB -0.0038 0.0059 0.0020 533 VAL 49 CG1 -0.0035 0.0057 0.0027 534 VAL 49 CG2 -0.0033 0.0058 0.0021 535 HIS 50 N -0.0032 0.0060 0.0008 536 HIS 50 CA -0.0035 0.0061 0.0008 537 HIS 50 C -0.0029 0.0059 0.0012 538 HIS 50 O -0.0020 0.0057 0.0010 539 HIS 50 CB -0.0038 0.0064 -0.0002 540 HIS 50 CG -0.0029 0.0064 -0.0009 541 HIS 50 ND1 -0.0024 0.0063 -0.0011 542 HIS 50 CD2 -0.0026 0.0064 -0.0016 543 HIS 50 CE1 -0.0018 0.0063 -0.0018 544 HIS 50 NE2 -0.0019 0.0063 -0.0021 545 GLY 51 N -0.0033 0.0059 0.0017 546 GLY 51 CA -0.0027 0.0056 0.0022 547 GLY 51 C -0.0023 0.0053 0.0031 548 GLY 51 O -0.0014 0.0051 0.0031 549 VAL 52 N -0.0029 0.0053 0.0038 550 VAL 52 CA -0.0026 0.0050 0.0047 551 VAL 52 C -0.0029 0.0050 0.0055 552 VAL 52 O -0.0037 0.0051 0.0055 553 VAL 52 CB -0.0029 0.0051 0.0049 554 VAL 52 CG1 -0.0027 0.0048 0.0059 555 VAL 52 CG2 -0.0025 0.0051 0.0042 556 ALA 53 N -0.0014 0.0034 0.0077 557 ALA 53 CA -0.0009 0.0023 0.0071 558 ALA 53 C -0.0020 0.0015 0.0066 559 ALA 53 O -0.0027 0.0017 0.0067 560 ALA 53 CB 0.0001 0.0021 0.0071 561 THR 54 N -0.0020 0.0007 0.0062 562 THR 54 CA -0.0029 -0.0001 0.0058 563 THR 54 C -0.0024 -0.0012 0.0052 564 THR 54 O -0.0018 -0.0013 0.0051 565 THR 54 CB -0.0039 0.0003 0.0059 566 THR 54 OG1 -0.0044 0.0013 0.0064 567 THR 54 CG2 -0.0049 -0.0005 0.0054 568 VAL 55 N -0.0027 -0.0020 0.0048 569 VAL 55 CA -0.0024 -0.0031 0.0042 570 VAL 55 C -0.0035 -0.0037 0.0038 571 VAL 55 O -0.0042 -0.0036 0.0038 572 VAL 55 CB -0.0015 -0.0035 0.0040 573 VAL 55 CG1 -0.0012 -0.0047 0.0034 574 VAL 55 CG2 -0.0003 -0.0029 0.0044 575 ALA 56 N -0.0037 -0.0044 0.0034 576 ALA 56 CA -0.0048 -0.0051 0.0030 577 ALA 56 C -0.0043 -0.0062 0.0024 578 ALA 56 O -0.0039 -0.0064 0.0023 579 ALA 56 CB -0.0057 -0.0046 0.0032 580 GLU 57 N -0.0040 -0.0058 -0.0004 581 GLU 57 CA -0.0037 -0.0065 -0.0011 582 GLU 57 C -0.0046 -0.0068 -0.0017 583 GLU 57 O -0.0053 -0.0068 -0.0018 584 GLU 57 CB -0.0033 -0.0067 -0.0013 585 GLU 57 CG -0.0024 -0.0065 -0.0008 586 GLU 57 CD -0.0021 -0.0068 -0.0010 587 GLU 57 OE1 -0.0026 -0.0070 -0.0014 588 GLU 57 OE2 -0.0013 -0.0067 -0.0007 589 LYS 58 N -0.0045 -0.0072 -0.0021 590 LYS 58 CA -0.0053 -0.0074 -0.0025 591 LYS 58 C -0.0051 -0.0082 -0.0033 592 LYS 58 O -0.0045 -0.0083 -0.0033 593 LYS 58 CB -0.0058 -0.0070 -0.0022 594 LYS 58 CG -0.0062 -0.0063 -0.0015 595 LYS 58 CD -0.0066 -0.0059 -0.0013 596 LYS 58 CE -0.0071 -0.0052 -0.0006 597 LYS 58 NZ -0.0075 -0.0048 -0.0003 598 THR 59 N -0.0054 -0.0086 -0.0038 599 THR 59 CA -0.0051 -0.0093 -0.0045 600 THR 59 C -0.0055 -0.0096 -0.0049 601 THR 59 O -0.0051 -0.0100 -0.0052 602 THR 59 CB -0.0053 -0.0097 -0.0050 603 THR 59 OG1 -0.0049 -0.0095 -0.0046 604 THR 59 CG2 -0.0050 -0.0105 -0.0057 605 LYS 60 N -0.0064 -0.0092 -0.0047 606 LYS 60 CA -0.0068 -0.0094 -0.0050 607 LYS 60 C -0.0075 -0.0088 -0.0046 608 LYS 60 O -0.0082 -0.0085 -0.0045 609 LYS 60 CB -0.0073 -0.0100 -0.0058 610 LYS 60 CG -0.0076 -0.0103 -0.0062 611 LYS 60 CD -0.0080 -0.0109 -0.0070 612 LYS 60 CE -0.0084 -0.0111 -0.0073 613 LYS 60 NZ -0.0088 -0.0118 -0.0081 614 GLU 61 N -0.0089 -0.0034 -0.0039 615 GLU 61 CA -0.0090 -0.0036 -0.0030 616 GLU 61 C -0.0090 -0.0031 -0.0020 617 GLU 61 O -0.0088 -0.0021 -0.0019 618 GLU 61 CB -0.0089 -0.0032 -0.0033 619 GLU 61 CG -0.0090 -0.0034 -0.0025 620 GLU 61 CD -0.0089 -0.0031 -0.0028 621 GLU 61 OE1 -0.0089 -0.0027 -0.0037 622 GLU 61 OE2 -0.0090 -0.0032 -0.0021 623 GLN 62 N -0.0091 -0.0037 -0.0012 624 GLN 62 CA -0.0091 -0.0033 -0.0002 625 GLN 62 C -0.0092 -0.0037 0.0008 626 GLN 62 O -0.0093 -0.0047 0.0010 627 GLN 62 CB -0.0091 -0.0036 -0.0000 628 GLN 62 CG -0.0091 -0.0032 0.0009 629 GLN 62 CD -0.0092 -0.0035 0.0010 630 GLN 62 OE1 -0.0092 -0.0041 0.0003 631 GLN 62 NE2 -0.0091 -0.0031 0.0018 632 VAL 63 N -0.0091 -0.0029 0.0014 633 VAL 63 CA -0.0092 -0.0032 0.0024 634 VAL 63 C -0.0091 -0.0026 0.0034 635 VAL 63 O -0.0090 -0.0016 0.0035 636 VAL 63 CB -0.0091 -0.0029 0.0022 637 VAL 63 CG1 -0.0092 -0.0032 0.0033 638 VAL 63 CG2 -0.0092 -0.0035 0.0013 639 THR 64 N -0.0092 -0.0031 0.0040 640 THR 64 CA -0.0092 -0.0026 0.0050 641 THR 64 C -0.0093 -0.0032 0.0060 642 THR 64 O -0.0094 -0.0041 0.0062 643 THR 64 CB -0.0092 -0.0025 0.0048 644 THR 64 OG1 -0.0093 -0.0036 0.0049 645 THR 64 CG2 -0.0091 -0.0021 0.0037 646 ASN 65 N -0.0046 0.0042 0.0076 647 ASN 65 CA -0.0032 0.0044 0.0065 648 ASN 65 C -0.0035 0.0041 0.0062 649 ASN 65 O -0.0049 0.0036 0.0065 650 ASN 65 CB -0.0028 0.0040 0.0049 651 ASN 65 CG -0.0040 0.0030 0.0035 652 ASN 65 OD1 -0.0049 0.0025 0.0034 653 ASN 65 ND2 -0.0039 0.0026 0.0025 654 VAL 66 N -0.0022 0.0045 0.0056 655 VAL 66 CA -0.0025 0.0041 0.0049 656 VAL 66 C -0.0015 0.0039 0.0031 657 VAL 66 O -0.0002 0.0043 0.0028 658 VAL 66 CB -0.0019 0.0048 0.0060 659 VAL 66 CG1 -0.0026 0.0052 0.0079 660 VAL 66 CG2 -0.0001 0.0055 0.0057 661 GLY 67 N -0.0023 0.0032 0.0020 662 GLY 67 CA -0.0015 0.0029 0.0003 663 GLY 67 C -0.0012 0.0026 -0.0008 664 GLY 67 O -0.0006 0.0023 -0.0023 665 GLY 68 N -0.0016 0.0027 -0.0001 666 GLY 68 CA -0.0011 0.0026 -0.0009 667 GLY 68 C -0.0025 0.0020 -0.0009 668 GLY 68 O -0.0039 0.0016 -0.0002 669 ALA 69 N -0.0039 0.0023 -0.0001 670 ALA 69 CA -0.0043 0.0018 0.0002 671 ALA 69 C -0.0049 0.0019 0.0006 672 ALA 69 O -0.0049 0.0019 0.0006 673 ALA 69 CB -0.0040 0.0011 0.0001 674 VAL 70 N -0.0053 0.0021 0.0008 675 VAL 70 CA -0.0059 0.0023 0.0012 676 VAL 70 C -0.0063 0.0018 0.0015 677 VAL 70 O -0.0063 0.0015 0.0016 678 VAL 70 CB -0.0061 0.0030 0.0012 679 VAL 70 CG1 -0.0067 0.0032 0.0016 680 VAL 70 CG2 -0.0057 0.0036 0.0009 681 VAL 71 N -0.0067 0.0016 0.0018 682 VAL 71 CA -0.0071 0.0011 0.0021 683 VAL 71 C -0.0077 0.0015 0.0024 684 VAL 71 O -0.0078 0.0019 0.0025 685 VAL 71 CB -0.0071 0.0006 0.0022 686 VAL 71 CG1 -0.0076 0.0001 0.0026 687 VAL 71 CG2 -0.0065 0.0001 0.0019 688 THR 72 N -0.0081 0.0015 0.0027 689 THR 72 CA -0.0087 0.0019 0.0030 690 THR 72 C -0.0092 0.0014 0.0034 691 THR 72 O -0.0092 0.0011 0.0035 692 THR 72 CB -0.0087 0.0024 0.0030 693 THR 72 OG1 -0.0087 0.0021 0.0030 694 THR 72 CG2 -0.0083 0.0029 0.0026 695 GLY 73 N -0.0078 0.0018 0.0054 696 GLY 73 CA -0.0073 0.0019 0.0054 697 GLY 73 C -0.0072 0.0023 0.0054 698 GLY 73 O -0.0069 0.0022 0.0054 699 VAL 74 N -0.0073 0.0027 0.0053 700 VAL 74 CA -0.0071 0.0031 0.0053 701 VAL 74 C -0.0066 0.0033 0.0054 702 VAL 74 O -0.0065 0.0033 0.0054 703 VAL 74 CB -0.0075 0.0035 0.0053 704 VAL 74 CG1 -0.0081 0.0033 0.0052 705 VAL 74 CG2 -0.0075 0.0039 0.0052 706 THR 75 N -0.0064 0.0035 0.0054 707 THR 75 CA -0.0059 0.0037 0.0055 708 THR 75 C -0.0057 0.0042 0.0054 709 THR 75 O -0.0059 0.0042 0.0054 710 THR 75 CB -0.0055 0.0033 0.0055 711 THR 75 OG1 -0.0056 0.0029 0.0056 712 THR 75 CG2 -0.0050 0.0035 0.0056 713 ALA 76 N -0.0055 0.0045 0.0054 714 ALA 76 CA -0.0053 0.0050 0.0054 715 ALA 76 C -0.0057 0.0053 0.0054 716 ALA 76 O -0.0057 0.0054 0.0054 717 ALA 76 CB -0.0049 0.0048 0.0055 718 VAL 77 N -0.0049 0.0052 0.0048 719 VAL 77 CA -0.0046 0.0051 0.0048 720 VAL 77 C -0.0042 0.0041 0.0041 721 VAL 77 O -0.0035 0.0036 0.0040 722 VAL 77 CB -0.0038 0.0054 0.0058 723 VAL 77 CG1 -0.0035 0.0053 0.0058 724 VAL 77 CG2 -0.0042 0.0064 0.0065 725 ALA 78 N -0.0046 0.0039 0.0035 726 ALA 78 CA -0.0043 0.0030 0.0027 727 ALA 78 C -0.0044 0.0028 0.0025 728 ALA 78 O -0.0052 0.0030 0.0021 729 ALA 78 CB -0.0050 0.0027 0.0019 730 GLN 79 N -0.0035 0.0024 0.0027 731 GLN 79 CA -0.0034 0.0022 0.0025 732 GLN 79 C -0.0030 0.0013 0.0017 733 GLN 79 O -0.0025 0.0008 0.0015 734 GLN 79 CB -0.0028 0.0026 0.0033 735 GLN 79 CG -0.0017 0.0022 0.0037 736 GLN 79 CD -0.0011 0.0026 0.0045 737 GLN 79 OE1 -0.0015 0.0032 0.0048 738 GLN 79 NE2 -0.0001 0.0023 0.0048 739 LYS 80 N -0.0032 0.0010 0.0013 740 LYS 80 CA -0.0026 0.0001 0.0007 741 LYS 80 C -0.0022 0.0002 0.0010 742 LYS 80 O -0.0027 0.0007 0.0014 743 LYS 80 CB -0.0033 -0.0004 -0.0003 744 LYS 80 CG -0.0027 -0.0013 -0.0009 745 LYS 80 CD -0.0033 -0.0018 -0.0019 746 LYS 80 CE -0.0026 -0.0027 -0.0024 747 LYS 80 NZ -0.0032 -0.0033 -0.0034 748 THR 81 N -0.0022 -0.0011 0.0017 749 THR 81 CA -0.0007 -0.0013 0.0025 750 THR 81 C -0.0001 -0.0034 0.0021 751 THR 81 O 0.0004 -0.0045 0.0020 752 THR 81 CB 0.0008 -0.0003 0.0037 753 THR 81 OG1 0.0001 0.0017 0.0040 754 THR 81 CG2 0.0023 -0.0005 0.0045 755 VAL 82 N -0.0000 -0.0039 0.0019 756 VAL 82 CA 0.0008 -0.0058 0.0017 757 VAL 82 C 0.0026 -0.0056 0.0028 758 VAL 82 O 0.0026 -0.0045 0.0032 759 VAL 82 CB -0.0004 -0.0067 0.0007 760 VAL 82 CG1 0.0006 -0.0085 0.0006 761 VAL 82 CG2 -0.0021 -0.0070 -0.0004 762 GLU 83 N 0.0040 -0.0066 0.0033 763 GLU 83 CA 0.0058 -0.0067 0.0043 764 GLU 83 C 0.0064 -0.0047 0.0054 765 GLU 83 O 0.0067 -0.0039 0.0059 766 GLU 83 CB 0.0061 -0.0076 0.0042 767 GLU 83 CG 0.0059 -0.0097 0.0033 768 GLU 83 CD 0.0063 -0.0107 0.0032 769 GLU 83 OE1 0.0066 -0.0096 0.0037 770 GLU 83 OE2 0.0063 -0.0124 0.0025 771 GLY 84 N 0.0064 -0.0039 0.0057 772 GLY 84 CA 0.0070 -0.0021 0.0067 773 GLY 84 C 0.0069 -0.0015 0.0068 774 GLY 84 O 0.0063 -0.0025 0.0061 775 ALA 85 N 0.0028 -0.0013 0.0072 776 ALA 85 CA 0.0024 -0.0007 0.0069 777 ALA 85 C 0.0021 0.0001 0.0066 778 ALA 85 O 0.0025 0.0004 0.0065 779 ALA 85 CB 0.0031 -0.0004 0.0069 780 GLY 86 N 0.0012 0.0003 0.0064 781 GLY 86 CA 0.0008 0.0010 0.0060 782 GLY 86 C 0.0005 0.0017 0.0057 783 GLY 86 O -0.0002 0.0016 0.0057 784 SER 87 N 0.0009 0.0025 0.0054 785 SER 87 CA 0.0007 0.0032 0.0051 786 SER 87 C 0.0003 0.0039 0.0048 787 SER 87 O 0.0008 0.0043 0.0047 788 SER 87 CB 0.0015 0.0036 0.0051 789 SER 87 OG 0.0018 0.0031 0.0053 790 ILE 88 N -0.0006 0.0040 0.0046 791 ILE 88 CA -0.0011 0.0045 0.0044 792 ILE 88 C -0.0009 0.0054 0.0040 793 ILE 88 O -0.0005 0.0059 0.0039 794 ILE 88 CB -0.0021 0.0042 0.0043 795 ILE 88 CG1 -0.0022 0.0033 0.0047 796 ILE 88 CG2 -0.0026 0.0048 0.0040 797 ILE 88 CD1 -0.0032 0.0029 0.0047 798 ALA 89 N -0.0041 0.0015 0.0044 799 ALA 89 CA -0.0041 0.0017 0.0033 800 ALA 89 C -0.0045 0.0018 0.0028 801 ALA 89 O -0.0054 0.0021 0.0025 802 ALA 89 CB -0.0047 0.0019 0.0029 803 ALA 90 N -0.0038 0.0016 0.0027 804 ALA 90 CA -0.0040 0.0018 0.0023 805 ALA 90 C -0.0036 0.0018 0.0011 806 ALA 90 O -0.0028 0.0016 0.0008 807 ALA 90 CB -0.0036 0.0016 0.0030 808 ALA 91 N -0.0041 0.0020 0.0005 809 ALA 91 CA -0.0037 0.0021 -0.0006 810 ALA 91 C -0.0041 0.0022 -0.0010 811 ALA 91 O -0.0050 0.0025 -0.0009 812 ALA 91 CB -0.0041 0.0023 -0.0013 813 THR 92 N -0.0033 0.0021 -0.0013 814 THR 92 CA -0.0035 0.0022 -0.0017 815 THR 92 C -0.0031 0.0022 -0.0028 816 THR 92 O -0.0023 0.0020 -0.0031 817 THR 92 CB -0.0031 0.0020 -0.0010 818 THR 92 OG1 -0.0019 0.0016 -0.0011 819 THR 92 CG2 -0.0034 0.0019 0.0002 820 GLY 93 N 0.0026 0.0070 -0.0044 821 GLY 93 CA 0.0038 0.0069 -0.0085 822 GLY 93 C 0.0057 0.0063 -0.0090 823 GLY 93 O 0.0084 0.0055 -0.0113 824 PHE 94 N 0.0042 0.0066 -0.0068 825 PHE 94 CA 0.0055 0.0062 -0.0071 826 PHE 94 C 0.0053 0.0061 -0.0030 827 PHE 94 O 0.0025 0.0069 -0.0008 828 PHE 94 CB 0.0031 0.0072 -0.0100 829 PHE 94 CG 0.0037 0.0072 -0.0143 830 PHE 94 CD1 0.0066 0.0064 -0.0166 831 PHE 94 CD2 0.0015 0.0081 -0.0161 832 PHE 94 CE1 0.0071 0.0064 -0.0206 833 PHE 94 CE2 0.0020 0.0081 -0.0200 834 PHE 94 CZ 0.0048 0.0073 -0.0223 835 VAL 95 N 0.0082 0.0050 -0.0019 836 VAL 95 CA 0.0082 0.0048 0.0017 837 VAL 95 C 0.0097 0.0044 0.0006 838 VAL 95 O 0.0130 0.0033 -0.0009 839 VAL 95 CB 0.0105 0.0038 0.0051 840 VAL 95 CG1 0.0108 0.0036 0.0086 841 VAL 95 CG2 0.0088 0.0043 0.0066 842 LYS 96 N 0.0075 0.0051 0.0012 843 LYS 96 CA 0.0086 0.0048 0.0002 844 LYS 96 C 0.0084 0.0046 0.0039 845 LYS 96 O 0.0074 0.0048 0.0072 846 LYS 96 CB 0.0060 0.0058 -0.0031 847 LYS 96 CG 0.0063 0.0059 -0.0071 848 LYS 96 CD 0.0099 0.0048 -0.0093 849 LYS 96 CE 0.0103 0.0049 -0.0132 850 LYS 96 NZ 0.0075 0.0060 -0.0162 851 LYS 97 N 0.0152 0.0197 0.0071 852 LYS 97 CA 0.0156 0.0192 0.0107 853 LYS 97 C 0.0162 0.0192 0.0124 854 LYS 97 O 0.0175 0.0203 0.0110 855 LYS 97 CB 0.0183 0.0205 0.0117 856 LYS 97 CG 0.0188 0.0201 0.0155 857 LYS 97 CD 0.0163 0.0184 0.0165 858 LYS 97 CE 0.0168 0.0180 0.0203 859 LYS 97 NZ 0.0195 0.0194 0.0211 860 ASP 98 N 0.0151 0.0180 0.0154 861 ASP 98 CA 0.0157 0.0179 0.0175 862 ASP 98 C 0.0163 0.0175 0.0212 863 ASP 98 O 0.0165 0.0175 0.0219 864 ASP 98 CB 0.0130 0.0164 0.0169 865 ASP 98 CG 0.0138 0.0166 0.0181 866 ASP 98 OD1 0.0164 0.0179 0.0194 867 ASP 98 OD2 0.0118 0.0156 0.0176 868 GLN 99 N 0.0168 0.0174 0.0235 869 GLN 99 CA 0.0174 0.0170 0.0271 870 GLN 99 C 0.0147 0.0151 0.0286 871 GLN 99 O 0.0150 0.0149 0.0303 872 GLN 99 CB 0.0184 0.0172 0.0291 873 GLN 99 CG 0.0192 0.0169 0.0329 874 GLN 99 CD 0.0201 0.0171 0.0348 875 GLN 99 OE1 0.0201 0.0174 0.0333 876 GLN 99 NE2 0.0210 0.0169 0.0381 877 VAL 37 N 0.0069 0.0037 0.0039 878 VAL 37 CA 0.0068 0.0030 0.0034 879 VAL 37 C 0.0051 0.0024 0.0031 880 VAL 37 O 0.0045 0.0021 0.0029 881 VAL 37 CB 0.0073 0.0038 0.0040 882 VAL 37 CG1 0.0091 0.0040 0.0040 883 VAL 37 CG2 0.0066 0.0051 0.0050 884 LEU 38 N 0.0044 0.0023 0.0030 885 LEU 38 CA 0.0028 0.0017 0.0027 886 LEU 38 C 0.0027 0.0003 0.0017 887 LEU 38 O 0.0017 -0.0001 0.0015 888 LEU 38 CB 0.0021 0.0019 0.0029 889 LEU 38 CG 0.0012 0.0032 0.0038 890 LEU 38 CD1 -0.0003 0.0033 0.0040 891 LEU 38 CD2 0.0022 0.0044 0.0046 892 TYR 39 N 0.0037 -0.0004 0.0011 893 TYR 39 CA 0.0039 -0.0018 0.0001 894 TYR 39 C 0.0023 -0.0026 -0.0004 895 TYR 39 O 0.0016 -0.0031 -0.0007 896 TYR 39 CB 0.0045 -0.0020 -0.0001 897 TYR 39 CG 0.0062 -0.0016 0.0001 898 TYR 39 CD1 0.0074 -0.0023 -0.0005 899 TYR 39 CD2 0.0065 -0.0004 0.0009 900 TYR 39 CE1 0.0090 -0.0019 -0.0003 901 TYR 39 CE2 0.0081 -0.0000 0.0011 902 TYR 39 CZ 0.0093 -0.0008 0.0005 903 TYR 39 OH 0.0108 -0.0004 0.0007 904 VAL 40 N 0.0018 -0.0026 -0.0004 905 VAL 40 CA 0.0004 -0.0033 -0.0008 906 VAL 40 C 0.0007 -0.0047 -0.0019 907 VAL 40 O -0.0003 -0.0055 -0.0024 908 VAL 40 CB -0.0003 -0.0028 -0.0004 909 VAL 40 CG1 -0.0017 -0.0036 -0.0009 910 VAL 40 CG2 -0.0006 -0.0014 0.0006 911 GLY 41 N 0.0025 -0.0056 -0.0027 912 GLY 41 CA 0.0025 -0.0053 -0.0030 913 GLY 41 C 0.0022 -0.0053 -0.0026 914 GLY 41 O 0.0024 -0.0055 -0.0027 915 SER 42 N 0.0018 -0.0052 -0.0022 916 SER 42 CA 0.0015 -0.0052 -0.0017 917 SER 42 C 0.0014 -0.0049 -0.0019 918 SER 42 O 0.0015 -0.0052 -0.0017 919 SER 42 CB 0.0011 -0.0050 -0.0013 920 SER 42 OG 0.0008 -0.0051 -0.0009 921 LYS 43 N 0.0013 -0.0045 -0.0023 922 LYS 43 CA 0.0013 -0.0042 -0.0026 923 LYS 43 C 0.0013 -0.0038 -0.0032 924 LYS 43 O 0.0010 -0.0035 -0.0032 925 LYS 43 CB 0.0008 -0.0040 -0.0023 926 LYS 43 CG 0.0008 -0.0038 -0.0026 927 LYS 43 CD 0.0004 -0.0036 -0.0022 928 LYS 43 CE 0.0005 -0.0034 -0.0025 929 LYS 43 NZ 0.0005 -0.0030 -0.0030 930 THR 44 N 0.0017 -0.0039 -0.0036 931 THR 44 CA 0.0017 -0.0035 -0.0042 932 THR 44 C 0.0018 -0.0033 -0.0045 933 THR 44 O 0.0019 -0.0036 -0.0043 934 THR 44 CB 0.0021 -0.0036 -0.0046 935 THR 44 OG1 0.0026 -0.0040 -0.0047 936 THR 44 CG2 0.0021 -0.0038 -0.0043 937 LYS 45 N -0.0003 -0.0016 -0.0044 938 LYS 45 CA -0.0005 -0.0009 -0.0037 939 LYS 45 C 0.0003 -0.0006 -0.0032 940 LYS 45 O 0.0008 -0.0005 -0.0031 941 LYS 45 CB -0.0011 -0.0007 -0.0036 942 LYS 45 CG -0.0015 -0.0000 -0.0029 943 LYS 45 CD -0.0021 0.0001 -0.0028 944 LYS 45 CE -0.0025 0.0008 -0.0022 945 LYS 45 NZ -0.0032 0.0009 -0.0021 946 GLU 46 N 0.0006 -0.0004 -0.0030 947 GLU 46 CA 0.0015 -0.0002 -0.0027 948 GLU 46 C 0.0015 0.0004 -0.0021 949 GLU 46 O 0.0012 0.0004 -0.0022 950 GLU 46 CB 0.0021 -0.0008 -0.0032 951 GLU 46 CG 0.0017 -0.0011 -0.0037 952 GLU 46 CD 0.0022 -0.0018 -0.0042 953 GLU 46 OE1 0.0029 -0.0019 -0.0043 954 GLU 46 OE2 0.0020 -0.0021 -0.0046 955 GLY 47 N 0.0019 0.0009 -0.0016 956 GLY 47 CA 0.0018 0.0015 -0.0010 957 GLY 47 C 0.0010 0.0019 -0.0006 958 GLY 47 O 0.0006 0.0022 -0.0004 959 VAL 48 N 0.0007 0.0019 -0.0006 960 VAL 48 CA -0.0002 0.0022 -0.0004 961 VAL 48 C -0.0001 0.0028 0.0002 962 VAL 48 O 0.0004 0.0027 0.0002 963 VAL 48 CB -0.0008 0.0017 -0.0010 964 VAL 48 CG1 -0.0017 0.0020 -0.0008 965 VAL 48 CG2 -0.0009 0.0012 -0.0016 966 VAL 49 N -0.0027 0.0066 0.0005 967 VAL 49 CA -0.0023 0.0064 0.0012 968 VAL 49 C -0.0025 0.0064 0.0013 969 VAL 49 O -0.0032 0.0064 0.0013 970 VAL 49 CB -0.0025 0.0062 0.0019 971 VAL 49 CG1 -0.0022 0.0060 0.0027 972 VAL 49 CG2 -0.0021 0.0062 0.0019 973 HIS 50 N -0.0019 0.0063 0.0013 974 HIS 50 CA -0.0021 0.0063 0.0014 975 HIS 50 C -0.0015 0.0061 0.0019 976 HIS 50 O -0.0008 0.0061 0.0018 977 HIS 50 CB -0.0023 0.0066 0.0006 978 HIS 50 CG -0.0015 0.0067 0.0001 979 HIS 50 ND1 -0.0010 0.0066 0.0001 980 HIS 50 CD2 -0.0013 0.0068 -0.0005 981 HIS 50 CE1 -0.0005 0.0068 -0.0005 982 HIS 50 NE2 -0.0006 0.0069 -0.0008 983 GLY 51 N -0.0018 0.0060 0.0024 984 GLY 51 CA -0.0013 0.0058 0.0029 985 GLY 51 C -0.0010 0.0056 0.0037 986 GLY 51 O -0.0002 0.0056 0.0037 987 VAL 52 N -0.0015 0.0055 0.0042 988 VAL 52 CA -0.0013 0.0053 0.0049 989 VAL 52 C -0.0015 0.0051 0.0056 990 VAL 52 O -0.0023 0.0051 0.0057 991 VAL 52 CB -0.0016 0.0053 0.0049 992 VAL 52 CG1 -0.0014 0.0051 0.0057 993 VAL 52 CG2 -0.0013 0.0055 0.0042 994 ALA 53 N -0.0011 0.0035 0.0077 995 ALA 53 CA -0.0005 0.0021 0.0071 996 ALA 53 C -0.0017 0.0011 0.0067 997 ALA 53 O -0.0025 0.0013 0.0067 998 ALA 53 CB 0.0009 0.0018 0.0071 999 THR 54 N -0.0018 0.0000 0.0063 1000 THR 54 CA -0.0030 -0.0009 0.0058 1001 THR 54 C -0.0025 -0.0024 0.0053 1002 THR 54 O -0.0019 -0.0025 0.0053 1003 THR 54 CB -0.0044 -0.0005 0.0060 1004 THR 54 OG1 -0.0049 0.0008 0.0065 1005 THR 54 CG2 -0.0056 -0.0015 0.0055 1006 VAL 55 N -0.0028 -0.0034 0.0049 1007 VAL 55 CA -0.0024 -0.0048 0.0043 1008 VAL 55 C -0.0038 -0.0057 0.0039 1009 VAL 55 O -0.0046 -0.0056 0.0040 1010 VAL 55 CB -0.0012 -0.0054 0.0041 1011 VAL 55 CG1 -0.0009 -0.0069 0.0035 1012 VAL 55 CG2 0.0003 -0.0046 0.0045 1013 ALA 56 N -0.0042 -0.0065 0.0036 1014 ALA 56 CA -0.0055 -0.0074 0.0032 1015 ALA 56 C -0.0050 -0.0088 0.0026 1016 ALA 56 O -0.0046 -0.0091 0.0026 1017 ALA 56 CB -0.0067 -0.0068 0.0034 1018 GLU 57 N -0.0045 -0.0090 -0.0003 1019 GLU 57 CA -0.0042 -0.0098 -0.0011 1020 GLU 57 C -0.0051 -0.0101 -0.0018 1021 GLU 57 O -0.0059 -0.0099 -0.0019 1022 GLU 57 CB -0.0039 -0.0100 -0.0012 1023 GLU 57 CG -0.0029 -0.0098 -0.0006 1024 GLU 57 CD -0.0026 -0.0100 -0.0008 1025 GLU 57 OE1 -0.0032 -0.0103 -0.0013 1026 GLU 57 OE2 -0.0018 -0.0100 -0.0004 1027 LYS 58 N -0.0050 -0.0105 -0.0022 1028 LYS 58 CA -0.0059 -0.0107 -0.0028 1029 LYS 58 C -0.0055 -0.0115 -0.0036 1030 LYS 58 O -0.0050 -0.0117 -0.0036 1031 LYS 58 CB -0.0063 -0.0103 -0.0024 1032 LYS 58 CG -0.0068 -0.0095 -0.0017 1033 LYS 58 CD -0.0072 -0.0091 -0.0014 1034 LYS 58 CE -0.0077 -0.0083 -0.0007 1035 LYS 58 NZ -0.0081 -0.0080 -0.0004 1036 THR 59 N -0.0059 -0.0119 -0.0042 1037 THR 59 CA -0.0056 -0.0126 -0.0050 1038 THR 59 C -0.0060 -0.0129 -0.0054 1039 THR 59 O -0.0055 -0.0134 -0.0058 1040 THR 59 CB -0.0059 -0.0130 -0.0055 1041 THR 59 OG1 -0.0055 -0.0127 -0.0050 1042 THR 59 CG2 -0.0055 -0.0138 -0.0063 1043 LYS 60 N -0.0069 -0.0125 -0.0053 1044 LYS 60 CA -0.0073 -0.0127 -0.0057 1045 LYS 60 C -0.0080 -0.0120 -0.0052 1046 LYS 60 O -0.0088 -0.0117 -0.0051 1047 LYS 60 CB -0.0079 -0.0133 -0.0066 1048 LYS 60 CG -0.0082 -0.0136 -0.0070 1049 LYS 60 CD -0.0086 -0.0142 -0.0079 1050 LYS 60 CE -0.0089 -0.0144 -0.0084 1051 LYS 60 NZ -0.0094 -0.0151 -0.0092 1052 GLU 61 N -0.0082 -0.0074 -0.0046 1053 GLU 61 CA -0.0082 -0.0076 -0.0038 1054 GLU 61 C -0.0081 -0.0071 -0.0029 1055 GLU 61 O -0.0080 -0.0063 -0.0028 1056 GLU 61 CB -0.0082 -0.0073 -0.0040 1057 GLU 61 CG -0.0082 -0.0075 -0.0032 1058 GLU 61 CD -0.0082 -0.0072 -0.0034 1059 GLU 61 OE1 -0.0081 -0.0069 -0.0042 1060 GLU 61 OE2 -0.0082 -0.0074 -0.0028 1061 GLN 62 N -0.0083 -0.0077 -0.0022 1062 GLN 62 CA -0.0082 -0.0073 -0.0013 1063 GLN 62 C -0.0083 -0.0077 -0.0004 1064 GLN 62 O -0.0085 -0.0085 -0.0003 1065 GLN 62 CB -0.0083 -0.0076 -0.0013 1066 GLN 62 CG -0.0082 -0.0072 -0.0004 1067 GLN 62 CD -0.0082 -0.0074 -0.0004 1068 GLN 62 OE1 -0.0083 -0.0079 -0.0011 1069 GLN 62 NE2 -0.0082 -0.0071 0.0003 1070 VAL 63 N -0.0081 -0.0070 0.0002 1071 VAL 63 CA -0.0082 -0.0073 0.0010 1072 VAL 63 C -0.0081 -0.0067 0.0018 1073 VAL 63 O -0.0079 -0.0059 0.0020 1074 VAL 63 CB -0.0082 -0.0071 0.0009 1075 VAL 63 CG1 -0.0082 -0.0074 0.0019 1076 VAL 63 CG2 -0.0083 -0.0076 0.0001 1077 THR 64 N -0.0082 -0.0072 0.0024 1078 THR 64 CA -0.0081 -0.0067 0.0032 1079 THR 64 C -0.0082 -0.0073 0.0041 1080 THR 64 O -0.0084 -0.0080 0.0042 1081 THR 64 CB -0.0081 -0.0066 0.0030 1082 THR 64 OG1 -0.0083 -0.0075 0.0031 1083 THR 64 CG2 -0.0080 -0.0062 0.0020 1084 ASN 65 N -0.0047 -0.0011 0.0046 1085 ASN 65 CA -0.0042 -0.0008 0.0040 1086 ASN 65 C -0.0051 -0.0010 0.0040 1087 ASN 65 O -0.0061 -0.0013 0.0042 1088 ASN 65 CB -0.0039 -0.0005 0.0028 1089 ASN 65 CG -0.0048 -0.0005 0.0019 1090 ASN 65 OD1 -0.0058 -0.0007 0.0019 1091 ASN 65 ND2 -0.0045 -0.0003 0.0010 1092 VAL 66 N -0.0047 -0.0009 0.0038 1093 VAL 66 CA -0.0055 -0.0010 0.0036 1094 VAL 66 C -0.0052 -0.0007 0.0024 1095 VAL 66 O -0.0042 -0.0004 0.0022 1096 VAL 66 CB -0.0055 -0.0012 0.0045 1097 VAL 66 CG1 -0.0055 -0.0015 0.0057 1098 VAL 66 CG2 -0.0046 -0.0010 0.0044 1099 GLY 67 N -0.0060 -0.0007 0.0018 1100 GLY 67 CA -0.0059 -0.0005 0.0007 1101 GLY 67 C -0.0053 -0.0002 -0.0002 1102 GLY 67 O -0.0052 0.0001 -0.0011 1103 GLY 68 N -0.0050 -0.0001 0.0000 1104 GLY 68 CA -0.0043 0.0001 -0.0007 1105 GLY 68 C -0.0047 0.0001 -0.0009 1106 GLY 68 O -0.0056 -0.0002 -0.0005 1107 ALA 69 N -0.0056 -0.0001 -0.0008 1108 ALA 69 CA -0.0058 -0.0003 -0.0006 1109 ALA 69 C -0.0060 -0.0002 -0.0004 1110 ALA 69 O -0.0060 -0.0001 -0.0004 1111 ALA 69 CB -0.0057 -0.0006 -0.0008 1112 VAL 70 N -0.0062 -0.0002 -0.0001 1113 VAL 70 CA -0.0063 0.0000 0.0001 1114 VAL 70 C -0.0065 -0.0003 0.0004 1115 VAL 70 O -0.0066 -0.0005 0.0004 1116 VAL 70 CB -0.0064 0.0003 0.0003 1117 VAL 70 CG1 -0.0066 0.0004 0.0005 1118 VAL 70 CG2 -0.0062 0.0006 0.0001 1119 VAL 71 N -0.0066 -0.0002 0.0005 1120 VAL 71 CA -0.0068 -0.0005 0.0007 1121 VAL 71 C -0.0070 -0.0002 0.0010 1122 VAL 71 O -0.0070 0.0000 0.0010 1123 VAL 71 CB -0.0068 -0.0006 0.0007 1124 VAL 71 CG1 -0.0070 -0.0008 0.0009 1125 VAL 71 CG2 -0.0066 -0.0009 0.0004 1126 THR 72 N -0.0071 -0.0003 0.0012 1127 THR 72 CA -0.0073 -0.0001 0.0015 1128 THR 72 C -0.0075 -0.0004 0.0017 1129 THR 72 O -0.0076 -0.0006 0.0018 1130 THR 72 CB -0.0073 0.0000 0.0015 1131 THR 72 OG1 -0.0074 -0.0003 0.0015 1132 THR 72 CG2 -0.0072 0.0002 0.0013 1133 GLY 73 N -0.0065 0.0006 0.0038 1134 GLY 73 CA -0.0059 0.0008 0.0040 1135 GLY 73 C -0.0057 0.0012 0.0040 1136 GLY 73 O -0.0055 0.0010 0.0041 1137 VAL 74 N -0.0059 0.0017 0.0040 1138 VAL 74 CA -0.0057 0.0021 0.0040 1139 VAL 74 C -0.0051 0.0024 0.0042 1140 VAL 74 O -0.0050 0.0024 0.0042 1141 VAL 74 CB -0.0062 0.0026 0.0039 1142 VAL 74 CG1 -0.0068 0.0023 0.0038 1143 VAL 74 CG2 -0.0062 0.0031 0.0039 1144 THR 75 N -0.0048 0.0026 0.0043 1145 THR 75 CA -0.0042 0.0028 0.0044 1146 THR 75 C -0.0040 0.0033 0.0045 1147 THR 75 O -0.0041 0.0032 0.0044 1148 THR 75 CB -0.0037 0.0023 0.0045 1149 THR 75 OG1 -0.0039 0.0018 0.0044 1150 THR 75 CG2 -0.0031 0.0025 0.0046 1151 ALA 76 N -0.0038 0.0038 0.0045 1152 ALA 76 CA -0.0035 0.0043 0.0046 1153 ALA 76 C -0.0039 0.0046 0.0045 1154 ALA 76 O -0.0038 0.0047 0.0045 1155 ALA 76 CB -0.0030 0.0040 0.0047 1156 VAL 77 N -0.0033 0.0046 0.0039 1157 VAL 77 CA -0.0030 0.0043 0.0038 1158 VAL 77 C -0.0027 0.0034 0.0032 1159 VAL 77 O -0.0021 0.0031 0.0031 1160 VAL 77 CB -0.0022 0.0047 0.0044 1161 VAL 77 CG1 -0.0018 0.0044 0.0043 1162 VAL 77 CG2 -0.0025 0.0056 0.0050 1163 ALA 78 N -0.0030 0.0030 0.0028 1164 ALA 78 CA -0.0028 0.0022 0.0021 1165 ALA 78 C -0.0027 0.0019 0.0019 1166 ALA 78 O -0.0034 0.0019 0.0016 1167 ALA 78 CB -0.0035 0.0019 0.0016 1168 GLN 79 N -0.0018 0.0015 0.0019 1169 GLN 79 CA -0.0017 0.0012 0.0017 1170 GLN 79 C -0.0013 0.0003 0.0011 1171 GLN 79 O -0.0010 0.0000 0.0010 1172 GLN 79 CB -0.0010 0.0015 0.0022 1173 GLN 79 CG 0.0000 0.0014 0.0024 1174 GLN 79 CD 0.0006 0.0017 0.0030 1175 GLN 79 OE1 0.0003 0.0021 0.0032 1176 GLN 79 NE2 0.0015 0.0016 0.0032 1177 LYS 80 N -0.0014 -0.0001 0.0007 1178 LYS 80 CA -0.0009 -0.0009 0.0003 1179 LYS 80 C -0.0004 -0.0010 0.0004 1180 LYS 80 O -0.0007 -0.0006 0.0006 1181 LYS 80 CB -0.0016 -0.0015 -0.0004 1182 LYS 80 CG -0.0011 -0.0023 -0.0010 1183 LYS 80 CD -0.0017 -0.0029 -0.0017 1184 LYS 80 CE -0.0011 -0.0037 -0.0021 1185 LYS 80 NZ -0.0017 -0.0043 -0.0028 1186 THR 81 N -0.0000 -0.0028 0.0013 1187 THR 81 CA 0.0017 -0.0032 0.0018 1188 THR 81 C 0.0023 -0.0053 0.0016 1189 THR 81 O 0.0025 -0.0061 0.0015 1190 THR 81 CB 0.0032 -0.0020 0.0024 1191 THR 81 OG1 0.0027 -0.0000 0.0026 1192 THR 81 CG2 0.0050 -0.0024 0.0029 1193 VAL 82 N 0.0025 -0.0062 0.0015 1194 VAL 82 CA 0.0033 -0.0082 0.0014 1195 VAL 82 C 0.0053 -0.0081 0.0020 1196 VAL 82 O 0.0057 -0.0073 0.0022 1197 VAL 82 CB 0.0022 -0.0094 0.0009 1198 VAL 82 CG1 0.0032 -0.0114 0.0008 1199 VAL 82 CG2 0.0003 -0.0096 0.0003 1200 GLU 83 N 0.0066 -0.0088 0.0023 1201 GLU 83 CA 0.0086 -0.0089 0.0028 1202 GLU 83 C 0.0094 -0.0069 0.0034 1203 GLU 83 O 0.0100 -0.0064 0.0037 1204 GLU 83 CB 0.0091 -0.0102 0.0028 1205 GLU 83 CG 0.0087 -0.0123 0.0023 1206 GLU 83 CD 0.0093 -0.0136 0.0022 1207 GLU 83 OE1 0.0099 -0.0129 0.0025 1208 GLU 83 OE2 0.0092 -0.0154 0.0019 1209 GLY 84 N 0.0092 -0.0057 0.0035 1210 GLY 84 CA 0.0100 -0.0039 0.0041 1211 GLY 84 C 0.0096 -0.0028 0.0042 1212 GLY 84 O 0.0087 -0.0035 0.0038 1213 ALA 85 N 0.0047 -0.0031 0.0043 1214 ALA 85 CA 0.0042 -0.0022 0.0040 1215 ALA 85 C 0.0038 -0.0014 0.0038 1216 ALA 85 O 0.0043 -0.0012 0.0037 1217 ALA 85 CB 0.0051 -0.0018 0.0038 1218 GLY 86 N 0.0028 -0.0010 0.0037 1219 GLY 86 CA 0.0023 -0.0001 0.0034 1220 GLY 86 C 0.0019 0.0009 0.0031 1221 GLY 86 O 0.0011 0.0008 0.0032 1222 SER 87 N 0.0025 0.0017 0.0028 1223 SER 87 CA 0.0022 0.0027 0.0024 1224 SER 87 C 0.0017 0.0034 0.0022 1225 SER 87 O 0.0023 0.0038 0.0021 1226 SER 87 CB 0.0032 0.0033 0.0022 1227 SER 87 OG 0.0036 0.0027 0.0024 1228 ILE 88 N 0.0006 0.0036 0.0022 1229 ILE 88 CA 0.0000 0.0041 0.0021 1230 ILE 88 C 0.0002 0.0053 0.0017 1231 ILE 88 O 0.0007 0.0057 0.0015 1232 ILE 88 CB -0.0012 0.0039 0.0023 1233 ILE 88 CG1 -0.0014 0.0027 0.0027 1234 ILE 88 CG2 -0.0019 0.0046 0.0021 1235 ILE 88 CD1 -0.0026 0.0023 0.0029 1236 ALA 89 N -0.0031 0.0027 0.0013 1237 ALA 89 CA -0.0032 0.0023 0.0006 1238 ALA 89 C -0.0039 0.0025 0.0001 1239 ALA 89 O -0.0044 0.0028 -0.0000 1240 ALA 89 CB -0.0032 0.0023 0.0007 1241 ALA 90 N -0.0039 0.0023 -0.0002 1242 ALA 90 CA -0.0045 0.0024 -0.0006 1243 ALA 90 C -0.0044 0.0019 -0.0014 1244 ALA 90 O -0.0039 0.0014 -0.0015 1245 ALA 90 CB -0.0046 0.0026 -0.0004 1246 ALA 91 N -0.0050 0.0020 -0.0019 1247 ALA 91 CA -0.0051 0.0015 -0.0027 1248 ALA 91 C -0.0058 0.0017 -0.0031 1249 ALA 91 O -0.0063 0.0021 -0.0031 1250 ALA 91 CB -0.0050 0.0013 -0.0029 1251 THR 92 N -0.0057 0.0014 -0.0035 1252 THR 92 CA -0.0063 0.0015 -0.0040 1253 THR 92 C -0.0063 0.0010 -0.0048 1254 THR 92 O -0.0057 0.0005 -0.0049 1255 THR 92 CB -0.0063 0.0017 -0.0038 1256 THR 92 OG1 -0.0058 0.0012 -0.0039 1257 THR 92 CG2 -0.0063 0.0022 -0.0030 1258 GLY 93 N -0.0036 0.0060 -0.0058 1259 GLY 93 CA -0.0038 0.0049 -0.0072 1260 GLY 93 C -0.0043 0.0051 -0.0070 1261 GLY 93 O -0.0037 0.0044 -0.0078 1262 PHE 94 N -0.0055 0.0060 -0.0061 1263 PHE 94 CA -0.0061 0.0062 -0.0058 1264 PHE 94 C -0.0064 0.0075 -0.0043 1265 PHE 94 O -0.0070 0.0081 -0.0036 1266 PHE 94 CB -0.0080 0.0058 -0.0067 1267 PHE 94 CG -0.0079 0.0046 -0.0083 1268 PHE 94 CD1 -0.0076 0.0041 -0.0089 1269 PHE 94 CD2 -0.0081 0.0040 -0.0091 1270 PHE 94 CE1 -0.0075 0.0029 -0.0104 1271 PHE 94 CE2 -0.0080 0.0028 -0.0106 1272 PHE 94 CZ -0.0077 0.0023 -0.0112 1273 VAL 95 N -0.0058 0.0079 -0.0037 1274 VAL 95 CA -0.0062 0.0090 -0.0022 1275 VAL 95 C -0.0068 0.0090 -0.0023 1276 VAL 95 O -0.0059 0.0085 -0.0028 1277 VAL 95 CB -0.0045 0.0096 -0.0012 1278 VAL 95 CG1 -0.0049 0.0108 0.0003 1279 VAL 95 CG2 -0.0039 0.0097 -0.0010 1280 LYS 96 N -0.0084 0.0096 -0.0019 1281 LYS 96 CA -0.0093 0.0097 -0.0019 1282 LYS 96 C -0.0097 0.0109 -0.0004 1283 LYS 96 O -0.0094 0.0116 0.0006 1284 LYS 96 CB -0.0110 0.0091 -0.0029 1285 LYS 96 CG -0.0107 0.0078 -0.0045 1286 LYS 96 CD -0.0099 0.0072 -0.0052 1287 LYS 96 CE -0.0095 0.0060 -0.0067 1288 LYS 96 NZ -0.0112 0.0055 -0.0077 1289 LYS 97 N -0.0069 0.0239 0.0030 1290 LYS 97 CA -0.0043 0.0181 0.0048 1291 LYS 97 C 0.0023 0.0186 0.0047 1292 LYS 97 O 0.0054 0.0228 0.0035 1293 LYS 97 CB -0.0046 0.0151 0.0057 1294 LYS 97 CG -0.0025 0.0088 0.0077 1295 LYS 97 CD -0.0068 0.0049 0.0088 1296 LYS 97 CE -0.0046 -0.0014 0.0107 1297 LYS 97 NZ -0.0047 -0.0039 0.0115 1298 ASP 98 N 0.0042 0.0142 0.0061 1299 ASP 98 CA 0.0105 0.0137 0.0063 1300 ASP 98 C 0.0123 0.0073 0.0082 1301 ASP 98 O 0.0087 0.0037 0.0093 1302 ASP 98 CB 0.0111 0.0161 0.0056 1303 ASP 98 CG 0.0177 0.0176 0.0052 1304 ASP 98 OD1 0.0218 0.0166 0.0055 1305 ASP 98 OD2 0.0187 0.0197 0.0045 1306 GLN 99 N 0.0179 0.0059 0.0087 1307 GLN 99 CA 0.0202 -0.0001 0.0106 1308 GLN 99 C 0.0167 -0.0041 0.0118 1309 GLN 99 O 0.0147 -0.0088 0.0132 1310 GLN 99 CB 0.0270 -0.0002 0.0107 1311 GLN 99 CG 0.0298 -0.0062 0.0125 1312 GLN 99 CD 0.0366 -0.0061 0.0126 1313 GLN 99 OE1 0.0392 -0.0016 0.0112 1314 GLN 99 NE2 0.0395 -0.0112 0.0141 1315 VAL 37 N 0.0052 0.0005 0.0026 1316 VAL 37 CA 0.0049 0.0002 0.0022 1317 VAL 37 C 0.0039 -0.0000 0.0019 1318 VAL 37 O 0.0034 -0.0001 0.0017 1319 VAL 37 CB 0.0050 0.0006 0.0027 1320 VAL 37 CG1 0.0060 0.0006 0.0027 1321 VAL 37 CG2 0.0046 0.0012 0.0034 1322 LEU 38 N 0.0037 -0.0001 0.0018 1323 LEU 38 CA 0.0028 -0.0003 0.0015 1324 LEU 38 C 0.0027 -0.0010 0.0007 1325 LEU 38 O 0.0019 -0.0011 0.0005 1326 LEU 38 CB 0.0027 -0.0003 0.0016 1327 LEU 38 CG 0.0023 0.0003 0.0023 1328 LEU 38 CD1 0.0013 0.0004 0.0024 1329 LEU 38 CD2 0.0029 0.0008 0.0030 1330 TYR 39 N 0.0033 -0.0013 0.0002 1331 TYR 39 CA 0.0034 -0.0019 -0.0005 1332 TYR 39 C 0.0025 -0.0022 -0.0010 1333 TYR 39 O 0.0019 -0.0025 -0.0012 1334 TYR 39 CB 0.0034 -0.0020 -0.0006 1335 TYR 39 CG 0.0043 -0.0018 -0.0004 1336 TYR 39 CD1 0.0051 -0.0022 -0.0009 1337 TYR 39 CD2 0.0044 -0.0013 0.0002 1338 TYR 39 CE1 0.0060 -0.0021 -0.0007 1339 TYR 39 CE2 0.0053 -0.0012 0.0005 1340 TYR 39 CZ 0.0060 -0.0015 0.0000 1341 TYR 39 OH 0.0069 -0.0014 0.0002 1342 VAL 40 N 0.0025 -0.0023 -0.0010 1343 VAL 40 CA 0.0017 -0.0026 -0.0014 1344 VAL 40 C 0.0019 -0.0032 -0.0022 1345 VAL 40 O 0.0012 -0.0035 -0.0026 1346 VAL 40 CB 0.0016 -0.0024 -0.0012 1347 VAL 40 CG1 0.0009 -0.0027 -0.0016 1348 VAL 40 CG2 0.0015 -0.0017 -0.0003 1349 GLY 41 N 0.0026 -0.0039 -0.0032 1350 GLY 41 CA 0.0025 -0.0037 -0.0033 1351 GLY 41 C 0.0022 -0.0036 -0.0028 1352 GLY 41 O 0.0023 -0.0038 -0.0028 1353 SER 42 N 0.0018 -0.0035 -0.0025 1354 SER 42 CA 0.0015 -0.0035 -0.0020 1355 SER 42 C 0.0014 -0.0032 -0.0020 1356 SER 42 O 0.0013 -0.0034 -0.0017 1357 SER 42 CB 0.0011 -0.0034 -0.0016 1358 SER 42 OG 0.0008 -0.0034 -0.0011 1359 LYS 43 N 0.0013 -0.0027 -0.0023 1360 LYS 43 CA 0.0013 -0.0024 -0.0024 1361 LYS 43 C 0.0014 -0.0020 -0.0029 1362 LYS 43 O 0.0013 -0.0016 -0.0030 1363 LYS 43 CB 0.0009 -0.0021 -0.0020 1364 LYS 43 CG 0.0008 -0.0019 -0.0021 1365 LYS 43 CD 0.0004 -0.0017 -0.0017 1366 LYS 43 CE 0.0004 -0.0015 -0.0018 1367 LYS 43 NZ 0.0005 -0.0010 -0.0023 1368 THR 44 N 0.0018 -0.0020 -0.0033 1369 THR 44 CA 0.0019 -0.0016 -0.0038 1370 THR 44 C 0.0019 -0.0014 -0.0039 1371 THR 44 O 0.0019 -0.0017 -0.0038 1372 THR 44 CB 0.0023 -0.0018 -0.0043 1373 THR 44 OG1 0.0026 -0.0022 -0.0044 1374 THR 44 CG2 0.0023 -0.0020 -0.0041 1375 LYS 45 N 0.0006 -0.0001 -0.0035 1376 LYS 45 CA 0.0003 0.0004 -0.0028 1377 LYS 45 C 0.0011 0.0008 -0.0026 1378 LYS 45 O 0.0016 0.0011 -0.0024 1379 LYS 45 CB -0.0001 0.0007 -0.0025 1380 LYS 45 CG -0.0005 0.0012 -0.0018 1381 LYS 45 CD -0.0010 0.0013 -0.0015 1382 LYS 45 CE -0.0014 0.0018 -0.0009 1383 LYS 45 NZ -0.0019 0.0020 -0.0006 1384 GLU 46 N 0.0013 0.0009 -0.0025 1385 GLU 46 CA 0.0021 0.0012 -0.0024 1386 GLU 46 C 0.0021 0.0016 -0.0019 1387 GLU 46 O 0.0017 0.0014 -0.0020 1388 GLU 46 CB 0.0026 0.0007 -0.0030 1389 GLU 46 CG 0.0022 0.0002 -0.0035 1390 GLU 46 CD 0.0027 -0.0002 -0.0042 1391 GLU 46 OE1 0.0033 -0.0002 -0.0043 1392 GLU 46 OE2 0.0025 -0.0006 -0.0046 1393 GLY 47 N 0.0024 0.0021 -0.0014 1394 GLY 47 CA 0.0024 0.0025 -0.0009 1395 GLY 47 C 0.0016 0.0028 -0.0004 1396 GLY 47 O 0.0012 0.0029 -0.0002 1397 VAL 48 N 0.0014 0.0029 -0.0002 1398 VAL 48 CA 0.0006 0.0030 0.0001 1399 VAL 48 C 0.0007 0.0036 0.0008 1400 VAL 48 O 0.0012 0.0037 0.0008 1401 VAL 48 CB 0.0001 0.0026 -0.0003 1402 VAL 48 CG1 -0.0008 0.0028 0.0001 1403 VAL 48 CG2 -0.0001 0.0020 -0.0009 1404 VAL 49 N -0.0017 0.0075 0.0011 1405 VAL 49 CA -0.0013 0.0073 0.0018 1406 VAL 49 C -0.0014 0.0072 0.0020 1407 VAL 49 O -0.0020 0.0071 0.0020 1408 VAL 49 CB -0.0016 0.0070 0.0023 1409 VAL 49 CG1 -0.0013 0.0067 0.0030 1410 VAL 49 CG2 -0.0015 0.0071 0.0022 1411 HIS 50 N -0.0008 0.0072 0.0022 1412 HIS 50 CA -0.0008 0.0071 0.0024 1413 HIS 50 C -0.0002 0.0069 0.0029 1414 HIS 50 O 0.0004 0.0070 0.0028 1415 HIS 50 CB -0.0009 0.0073 0.0018 1416 HIS 50 CG -0.0002 0.0076 0.0014 1417 HIS 50 ND1 0.0003 0.0076 0.0015 1418 HIS 50 CD2 -0.0000 0.0079 0.0008 1419 HIS 50 CE1 0.0008 0.0079 0.0011 1420 HIS 50 NE2 0.0006 0.0081 0.0006 1421 GLY 51 N -0.0004 0.0066 0.0034 1422 GLY 51 CA 0.0001 0.0064 0.0040 1423 GLY 51 C 0.0003 0.0062 0.0045 1424 GLY 51 O 0.0010 0.0063 0.0046 1425 VAL 52 N -0.0002 0.0059 0.0049 1426 VAL 52 CA -0.0001 0.0057 0.0054 1427 VAL 52 C -0.0003 0.0053 0.0061 1428 VAL 52 O -0.0009 0.0052 0.0062 1429 VAL 52 CB -0.0005 0.0057 0.0052 1430 VAL 52 CG1 -0.0005 0.0055 0.0058 1431 VAL 52 CG2 -0.0003 0.0061 0.0046 1432 ALA 53 N -0.0007 0.0036 0.0079 1433 ALA 53 CA -0.0001 0.0018 0.0074 1434 ALA 53 C -0.0016 0.0005 0.0069 1435 ALA 53 O -0.0025 0.0007 0.0070 1436 ALA 53 CB 0.0017 0.0014 0.0073 1437 THR 54 N -0.0019 -0.0009 0.0066 1438 THR 54 CA -0.0034 -0.0021 0.0062 1439 THR 54 C -0.0028 -0.0040 0.0057 1440 THR 54 O -0.0022 -0.0042 0.0056 1441 THR 54 CB -0.0052 -0.0015 0.0063 1442 THR 54 OG1 -0.0058 0.0002 0.0068 1443 THR 54 CG2 -0.0068 -0.0028 0.0059 1444 VAL 55 N -0.0031 -0.0053 0.0053 1445 VAL 55 CA -0.0027 -0.0072 0.0047 1446 VAL 55 C -0.0044 -0.0083 0.0044 1447 VAL 55 O -0.0052 -0.0081 0.0044 1448 VAL 55 CB -0.0010 -0.0079 0.0046 1449 VAL 55 CG1 -0.0007 -0.0099 0.0040 1450 VAL 55 CG2 0.0008 -0.0069 0.0049 1451 ALA 56 N -0.0050 -0.0093 0.0041 1452 ALA 56 CA -0.0067 -0.0104 0.0037 1453 ALA 56 C -0.0062 -0.0123 0.0032 1454 ALA 56 O -0.0059 -0.0126 0.0031 1455 ALA 56 CB -0.0083 -0.0097 0.0039 1456 GLU 57 N -0.0054 -0.0129 0.0004 1457 GLU 57 CA -0.0050 -0.0137 -0.0008 1458 GLU 57 C -0.0061 -0.0140 -0.0017 1459 GLU 57 O -0.0071 -0.0138 -0.0019 1460 GLU 57 CB -0.0048 -0.0139 -0.0010 1461 GLU 57 CG -0.0036 -0.0138 -0.0002 1462 GLU 57 CD -0.0035 -0.0140 -0.0004 1463 GLU 57 OE1 -0.0043 -0.0141 -0.0011 1464 GLU 57 OE2 -0.0025 -0.0139 0.0001 1465 LYS 58 N -0.0058 -0.0144 -0.0023 1466 LYS 58 CA -0.0067 -0.0146 -0.0031 1467 LYS 58 C -0.0062 -0.0155 -0.0042 1468 LYS 58 O -0.0054 -0.0158 -0.0043 1469 LYS 58 CB -0.0071 -0.0142 -0.0026 1470 LYS 58 CG -0.0078 -0.0133 -0.0015 1471 LYS 58 CD -0.0081 -0.0130 -0.0011 1472 LYS 58 CE -0.0088 -0.0121 -0.0000 1473 LYS 58 NZ -0.0092 -0.0117 0.0004 1474 THR 59 N -0.0068 -0.0158 -0.0051 1475 THR 59 CA -0.0063 -0.0167 -0.0062 1476 THR 59 C -0.0067 -0.0169 -0.0068 1477 THR 59 O -0.0059 -0.0175 -0.0074 1478 THR 59 CB -0.0069 -0.0169 -0.0070 1479 THR 59 OG1 -0.0066 -0.0166 -0.0064 1480 THR 59 CG2 -0.0063 -0.0178 -0.0081 1481 LYS 60 N -0.0077 -0.0165 -0.0067 1482 LYS 60 CA -0.0080 -0.0167 -0.0072 1483 LYS 60 C -0.0089 -0.0160 -0.0064 1484 LYS 60 O -0.0100 -0.0156 -0.0063 1485 LYS 60 CB -0.0087 -0.0173 -0.0084 1486 LYS 60 CG -0.0089 -0.0176 -0.0090 1487 LYS 60 CD -0.0095 -0.0182 -0.0103 1488 LYS 60 CE -0.0096 -0.0185 -0.0109 1489 LYS 60 NZ -0.0102 -0.0191 -0.0122 1490 GLU 61 N -0.0078 -0.0119 -0.0056 1491 GLU 61 CA -0.0079 -0.0121 -0.0046 1492 GLU 61 C -0.0076 -0.0116 -0.0038 1493 GLU 61 O -0.0073 -0.0108 -0.0037 1494 GLU 61 CB -0.0078 -0.0119 -0.0047 1495 GLU 61 CG -0.0078 -0.0122 -0.0037 1496 GLU 61 CD -0.0077 -0.0119 -0.0038 1497 GLU 61 OE1 -0.0076 -0.0116 -0.0046 1498 GLU 61 OE2 -0.0078 -0.0121 -0.0030 1499 GLN 62 N -0.0078 -0.0122 -0.0031 1500 GLN 62 CA -0.0076 -0.0118 -0.0023 1501 GLN 62 C -0.0077 -0.0122 -0.0013 1502 GLN 62 O -0.0080 -0.0131 -0.0011 1503 GLN 62 CB -0.0077 -0.0120 -0.0024 1504 GLN 62 CG -0.0075 -0.0116 -0.0016 1505 GLN 62 CD -0.0075 -0.0118 -0.0018 1506 GLN 62 OE1 -0.0078 -0.0122 -0.0025 1507 GLN 62 NE2 -0.0074 -0.0114 -0.0012 1508 VAL 63 N -0.0074 -0.0116 -0.0006 1509 VAL 63 CA -0.0075 -0.0119 0.0004 1510 VAL 63 C -0.0072 -0.0113 0.0011 1511 VAL 63 O -0.0069 -0.0105 0.0013 1512 VAL 63 CB -0.0074 -0.0118 0.0005 1513 VAL 63 CG1 -0.0075 -0.0121 0.0015 1514 VAL 63 CG2 -0.0077 -0.0123 -0.0003 1515 THR 64 N -0.0073 -0.0117 0.0016 1516 THR 64 CA -0.0071 -0.0113 0.0024 1517 THR 64 C -0.0073 -0.0118 0.0033 1518 THR 64 O -0.0076 -0.0125 0.0034 1519 THR 64 CB -0.0071 -0.0111 0.0020 1520 THR 64 OG1 -0.0074 -0.0120 0.0020 1521 THR 64 CG2 -0.0070 -0.0107 0.0010 1522 ASN 65 N -0.0047 -0.0067 0.0039 1523 ASN 65 CA -0.0047 -0.0066 0.0037 1524 ASN 65 C -0.0061 -0.0066 0.0041 1525 ASN 65 O -0.0072 -0.0065 0.0044 1526 ASN 65 CB -0.0042 -0.0058 0.0023 1527 ASN 65 CG -0.0053 -0.0050 0.0014 1528 ASN 65 OD1 -0.0066 -0.0049 0.0016 1529 ASN 65 ND2 -0.0047 -0.0044 0.0002 1530 VAL 66 N -0.0061 -0.0067 0.0043 1531 VAL 66 CA -0.0074 -0.0065 0.0045 1532 VAL 66 C -0.0074 -0.0059 0.0036 1533 VAL 66 O -0.0062 -0.0060 0.0032 1534 VAL 66 CB -0.0078 -0.0073 0.0058 1535 VAL 66 CG1 -0.0075 -0.0080 0.0068 1536 VAL 66 CG2 -0.0071 -0.0076 0.0061 1537 GLY 67 N -0.0085 -0.0054 0.0031 1538 GLY 67 CA -0.0087 -0.0048 0.0022 1539 GLY 67 C -0.0078 -0.0042 0.0009 1540 GLY 67 O -0.0079 -0.0037 0.0002 1541 GLY 68 N -0.0069 -0.0043 0.0007 1542 GLY 68 CA -0.0059 -0.0038 -0.0003 1543 GLY 68 C -0.0059 -0.0034 -0.0010 1544 GLY 68 O -0.0067 -0.0034 -0.0006 1545 ALA 69 N -0.0058 -0.0030 -0.0018 1546 ALA 69 CA -0.0061 -0.0032 -0.0017 1547 ALA 69 C -0.0059 -0.0030 -0.0015 1548 ALA 69 O -0.0056 -0.0028 -0.0017 1549 ALA 69 CB -0.0061 -0.0034 -0.0022 1550 VAL 70 N -0.0061 -0.0031 -0.0011 1551 VAL 70 CA -0.0059 -0.0029 -0.0008 1552 VAL 70 C -0.0062 -0.0031 -0.0008 1553 VAL 70 O -0.0065 -0.0034 -0.0007 1554 VAL 70 CB -0.0059 -0.0028 -0.0003 1555 VAL 70 CG1 -0.0058 -0.0027 0.0000 1556 VAL 70 CG2 -0.0056 -0.0026 -0.0003 1557 VAL 71 N -0.0060 -0.0030 -0.0009 1558 VAL 71 CA -0.0062 -0.0031 -0.0008 1559 VAL 71 C -0.0061 -0.0030 -0.0004 1560 VAL 71 O -0.0057 -0.0027 -0.0004 1561 VAL 71 CB -0.0061 -0.0031 -0.0013 1562 VAL 71 CG1 -0.0063 -0.0033 -0.0012 1563 VAL 71 CG2 -0.0062 -0.0033 -0.0017 1564 THR 72 N -0.0063 -0.0031 -0.0001 1565 THR 72 CA -0.0062 -0.0030 0.0004 1566 THR 72 C -0.0064 -0.0031 0.0004 1567 THR 72 O -0.0068 -0.0034 0.0005 1568 THR 72 CB -0.0064 -0.0030 0.0008 1569 THR 72 OG1 -0.0068 -0.0033 0.0008 1570 THR 72 CG2 -0.0062 -0.0028 0.0008 1571 GLY 73 N -0.0061 -0.0012 0.0025 1572 GLY 73 CA -0.0053 -0.0010 0.0027 1573 GLY 73 C -0.0050 -0.0005 0.0028 1574 GLY 73 O -0.0046 -0.0008 0.0029 1575 VAL 74 N -0.0053 0.0003 0.0028 1576 VAL 74 CA -0.0049 0.0008 0.0029 1577 VAL 74 C -0.0042 0.0012 0.0032 1578 VAL 74 O -0.0040 0.0013 0.0032 1579 VAL 74 CB -0.0056 0.0015 0.0028 1580 VAL 74 CG1 -0.0064 0.0011 0.0025 1581 VAL 74 CG2 -0.0056 0.0023 0.0028 1582 THR 75 N -0.0036 0.0015 0.0033 1583 THR 75 CA -0.0028 0.0018 0.0036 1584 THR 75 C -0.0026 0.0024 0.0037 1585 THR 75 O -0.0027 0.0023 0.0036 1586 THR 75 CB -0.0022 0.0010 0.0037 1587 THR 75 OG1 -0.0025 0.0004 0.0036 1588 THR 75 CG2 -0.0014 0.0013 0.0040 1589 ALA 76 N -0.0022 0.0031 0.0038 1590 ALA 76 CA -0.0019 0.0037 0.0040 1591 ALA 76 C -0.0024 0.0042 0.0038 1592 ALA 76 O -0.0023 0.0043 0.0039 1593 ALA 76 CB -0.0011 0.0034 0.0042 1594 VAL 77 N -0.0022 0.0046 0.0032 1595 VAL 77 CA -0.0018 0.0042 0.0030 1596 VAL 77 C -0.0015 0.0035 0.0025 1597 VAL 77 O -0.0011 0.0034 0.0025 1598 VAL 77 CB -0.0010 0.0046 0.0033 1599 VAL 77 CG1 -0.0007 0.0042 0.0030 1600 VAL 77 CG2 -0.0013 0.0053 0.0037 1601 ALA 78 N -0.0018 0.0030 0.0022 1602 ALA 78 CA -0.0016 0.0023 0.0017 1603 ALA 78 C -0.0015 0.0018 0.0014 1604 ALA 78 O -0.0021 0.0016 0.0013 1605 ALA 78 CB -0.0024 0.0020 0.0015 1606 GLN 79 N -0.0007 0.0016 0.0013 1607 GLN 79 CA -0.0006 0.0011 0.0010 1608 GLN 79 C -0.0003 0.0004 0.0005 1609 GLN 79 O -0.0001 0.0003 0.0005 1610 GLN 79 CB 0.0001 0.0014 0.0012 1611 GLN 79 CG 0.0010 0.0014 0.0012 1612 GLN 79 CD 0.0016 0.0017 0.0014 1613 GLN 79 OE1 0.0014 0.0019 0.0015 1614 GLN 79 NE2 0.0023 0.0018 0.0015 1615 LYS 80 N -0.0003 -0.0001 0.0002 1616 LYS 80 CA 0.0001 -0.0008 -0.0003 1617 LYS 80 C 0.0006 -0.0009 -0.0004 1618 LYS 80 O 0.0004 -0.0008 -0.0002 1619 LYS 80 CB -0.0005 -0.0013 -0.0006 1620 LYS 80 CG -0.0001 -0.0020 -0.0011 1621 LYS 80 CD -0.0007 -0.0026 -0.0015 1622 LYS 80 CE -0.0002 -0.0032 -0.0019 1623 LYS 80 NZ -0.0007 -0.0038 -0.0023 1624 THR 81 N 0.0014 -0.0030 0.0009 1625 THR 81 CA 0.0033 -0.0035 0.0011 1626 THR 81 C 0.0037 -0.0056 0.0012 1627 THR 81 O 0.0036 -0.0060 0.0012 1628 THR 81 CB 0.0048 -0.0022 0.0012 1629 THR 81 OG1 0.0044 -0.0003 0.0011 1630 THR 81 CG2 0.0067 -0.0027 0.0014 1631 VAL 82 N 0.0042 -0.0068 0.0013 1632 VAL 82 CA 0.0049 -0.0087 0.0014 1633 VAL 82 C 0.0070 -0.0087 0.0016 1634 VAL 82 O 0.0077 -0.0082 0.0016 1635 VAL 82 CB 0.0039 -0.0102 0.0013 1636 VAL 82 CG1 0.0048 -0.0121 0.0015 1637 VAL 82 CG2 0.0018 -0.0103 0.0012 1638 GLU 83 N 0.0080 -0.0091 0.0017 1639 GLU 83 CA 0.0101 -0.0092 0.0019 1640 GLU 83 C 0.0110 -0.0074 0.0019 1641 GLU 83 O 0.0120 -0.0072 0.0020 1642 GLU 83 CB 0.0108 -0.0109 0.0020 1643 GLU 83 CG 0.0102 -0.0128 0.0020 1644 GLU 83 CD 0.0110 -0.0144 0.0021 1645 GLU 83 OE1 0.0119 -0.0140 0.0021 1646 GLU 83 OE2 0.0107 -0.0161 0.0021 1647 GLY 84 N 0.0107 -0.0059 0.0018 1648 GLY 84 CA 0.0116 -0.0041 0.0018 1649 GLY 84 C 0.0110 -0.0028 0.0018 1650 GLY 84 O 0.0098 -0.0032 0.0017 1651 ALA 85 N 0.0056 -0.0035 0.0018 1652 ALA 85 CA 0.0051 -0.0025 0.0015 1653 ALA 85 C 0.0047 -0.0018 0.0012 1654 ALA 85 O 0.0053 -0.0017 0.0010 1655 ALA 85 CB 0.0059 -0.0020 0.0010 1656 GLY 86 N 0.0037 -0.0012 0.0012 1657 GLY 86 CA 0.0033 -0.0005 0.0010 1658 GLY 86 C 0.0029 0.0006 0.0006 1659 GLY 86 O 0.0020 0.0007 0.0007 1660 SER 87 N 0.0034 0.0013 0.0001 1661 SER 87 CA 0.0031 0.0024 -0.0004 1662 SER 87 C 0.0027 0.0030 -0.0005 1663 SER 87 O 0.0034 0.0032 -0.0008 1664 SER 87 CB 0.0040 0.0029 -0.0009 1665 SER 87 OG 0.0043 0.0025 -0.0007 1666 ILE 88 N 0.0016 0.0032 -0.0004 1667 ILE 88 CA 0.0011 0.0036 -0.0004 1668 ILE 88 C 0.0014 0.0047 -0.0010 1669 ILE 88 O 0.0020 0.0049 -0.0013 1670 ILE 88 CB -0.0001 0.0035 -0.0000 1671 ILE 88 CG1 -0.0002 0.0023 0.0006 1672 ILE 88 CG2 -0.0006 0.0040 -0.0002 1673 ILE 88 CD1 -0.0014 0.0020 0.0010 1674 ALA 89 N -0.0022 0.0004 -0.0020 1675 ALA 89 CA -0.0023 -0.0000 -0.0020 1676 ALA 89 C -0.0026 0.0004 -0.0029 1677 ALA 89 O -0.0025 0.0010 -0.0029 1678 ALA 89 CB -0.0019 0.0002 -0.0012 1679 ALA 90 N -0.0030 -0.0001 -0.0036 1680 ALA 90 CA -0.0034 0.0002 -0.0044 1681 ALA 90 C -0.0036 -0.0005 -0.0047 1682 ALA 90 O -0.0037 -0.0013 -0.0044 1683 ALA 90 CB -0.0037 0.0003 -0.0051 1684 ALA 91 N -0.0038 -0.0001 -0.0053 1685 ALA 91 CA -0.0041 -0.0007 -0.0056 1686 ALA 91 C -0.0044 -0.0003 -0.0064 1687 ALA 91 O -0.0043 0.0005 -0.0065 1688 ALA 91 CB -0.0038 -0.0008 -0.0049 1689 THR 92 N -0.0048 -0.0009 -0.0071 1690 THR 92 CA -0.0051 -0.0006 -0.0080 1691 THR 92 C -0.0054 -0.0013 -0.0083 1692 THR 92 O -0.0054 -0.0021 -0.0080 1693 THR 92 CB -0.0054 -0.0005 -0.0087 1694 THR 92 OG1 -0.0056 -0.0015 -0.0087 1695 THR 92 CG2 -0.0052 0.0001 -0.0084 1696 GLY 93 N -0.0015 0.0026 -0.0096 1697 GLY 93 CA -0.0025 0.0019 -0.0080 1698 GLY 93 C -0.0042 0.0026 -0.0071 1699 GLY 93 O -0.0054 0.0028 -0.0062 1700 PHE 94 N -0.0043 0.0031 -0.0075 1701 PHE 94 CA -0.0058 0.0038 -0.0067 1702 PHE 94 C -0.0058 0.0050 -0.0079 1703 PHE 94 O -0.0046 0.0047 -0.0088 1704 PHE 94 CB -0.0060 0.0024 -0.0052 1705 PHE 94 CG -0.0063 0.0013 -0.0038 1706 PHE 94 CD1 -0.0079 0.0016 -0.0027 1707 PHE 94 CD2 -0.0050 -0.0001 -0.0037 1708 PHE 94 CE1 -0.0082 0.0006 -0.0014 1709 PHE 94 CE2 -0.0053 -0.0012 -0.0024 1710 PHE 94 CZ -0.0069 -0.0008 -0.0012 1711 VAL 95 N -0.0072 0.0064 -0.0079 1712 VAL 95 CA -0.0075 0.0076 -0.0089 1713 VAL 95 C -0.0092 0.0081 -0.0078 1714 VAL 95 O -0.0105 0.0087 -0.0071 1715 VAL 95 CB -0.0075 0.0091 -0.0104 1716 VAL 95 CG1 -0.0080 0.0104 -0.0112 1717 VAL 95 CG2 -0.0057 0.0087 -0.0116 1718 LYS 96 N -0.0092 0.0079 -0.0075 1719 LYS 96 CA -0.0108 0.0083 -0.0065 1720 LYS 96 C -0.0110 0.0095 -0.0074 1721 LYS 96 O -0.0101 0.0101 -0.0088 1722 LYS 96 CB -0.0107 0.0068 -0.0050 1723 LYS 96 CG -0.0106 0.0055 -0.0039 1724 LYS 96 CD -0.0123 0.0061 -0.0029 1725 LYS 96 CE -0.0122 0.0049 -0.0018 1726 LYS 96 NZ -0.0120 0.0033 -0.0005 1727 LYS 97 N -0.0100 0.0216 -0.0034 1728 LYS 97 CA -0.0079 0.0164 -0.0034 1729 LYS 97 C -0.0021 0.0167 -0.0046 1730 LYS 97 O 0.0003 0.0200 -0.0053 1731 LYS 97 CB -0.0093 0.0127 -0.0029 1732 LYS 97 CG -0.0077 0.0071 -0.0027 1733 LYS 97 CD -0.0106 0.0045 -0.0020 1734 LYS 97 CE -0.0089 -0.0011 -0.0019 1735 LYS 97 NZ -0.0101 -0.0043 -0.0014 1736 ASP 98 N 0.0001 0.0134 -0.0048 1737 ASP 98 CA 0.0056 0.0129 -0.0058 1738 ASP 98 C 0.0069 0.0071 -0.0056 1739 ASP 98 O 0.0035 0.0038 -0.0047 1740 ASP 98 CB 0.0074 0.0160 -0.0064 1741 ASP 98 CG 0.0131 0.0172 -0.0076 1742 ASP 98 OD1 0.0157 0.0154 -0.0080 1743 ASP 98 OD2 0.0149 0.0198 -0.0082 1744 GLN 99 N 0.0118 0.0058 -0.0065 1745 GLN 99 CA 0.0136 0.0004 -0.0064 1746 GLN 99 C 0.0115 -0.0021 -0.0058 1747 GLN 99 O 0.0095 -0.0064 -0.0051 1748 GLN 99 CB 0.0194 0.0001 -0.0075 1749 GLN 99 CG 0.0216 -0.0054 -0.0075 1750 GLN 99 CD 0.0274 -0.0055 -0.0087 1751 GLN 99 OE1 0.0299 -0.0014 -0.0095 1752 GLN 99 NE2 0.0297 -0.0102 -0.0087 1753 VAL 37 N 0.0039 -0.0015 0.0021 1754 VAL 37 CA 0.0034 -0.0013 0.0019 1755 VAL 37 C 0.0029 -0.0012 0.0014 1756 VAL 37 O 0.0024 -0.0010 0.0014 1757 VAL 37 CB 0.0031 -0.0012 0.0025 1758 VAL 37 CG1 0.0036 -0.0013 0.0027 1759 VAL 37 CG2 0.0030 -0.0011 0.0031 1760 LEU 38 N 0.0032 -0.0013 0.0012 1761 LEU 38 CA 0.0028 -0.0012 0.0008 1762 LEU 38 C 0.0026 -0.0012 0.0001 1763 LEU 38 O 0.0020 -0.0010 -0.0001 1764 LEU 38 CB 0.0031 -0.0013 0.0006 1765 LEU 38 CG 0.0031 -0.0013 0.0011 1766 LEU 38 CD1 0.0024 -0.0010 0.0011 1767 LEU 38 CD2 0.0033 -0.0013 0.0019 1768 TYR 39 N 0.0030 -0.0013 -0.0003 1769 TYR 39 CA 0.0029 -0.0013 -0.0009 1770 TYR 39 C 0.0026 -0.0013 -0.0015 1771 TYR 39 O 0.0021 -0.0011 -0.0017 1772 TYR 39 CB 0.0026 -0.0012 -0.0009 1773 TYR 39 CG 0.0029 -0.0013 -0.0004 1774 TYR 39 CD1 0.0034 -0.0015 -0.0008 1775 TYR 39 CD2 0.0028 -0.0012 0.0002 1776 TYR 39 CE1 0.0037 -0.0016 -0.0004 1777 TYR 39 CE2 0.0031 -0.0013 0.0006 1778 TYR 39 CZ 0.0036 -0.0015 0.0003 1779 TYR 39 OH 0.0039 -0.0016 0.0007 1780 VAL 40 N 0.0030 -0.0014 -0.0017 1781 VAL 40 CA 0.0027 -0.0013 -0.0022 1782 VAL 40 C 0.0028 -0.0014 -0.0029 1783 VAL 40 O 0.0023 -0.0013 -0.0034 1784 VAL 40 CB 0.0031 -0.0015 -0.0022 1785 VAL 40 CG1 0.0028 -0.0014 -0.0028 1786 VAL 40 CG2 0.0030 -0.0014 -0.0015 1787 GLY 41 N 0.0029 -0.0021 -0.0037 1788 GLY 41 CA 0.0029 -0.0017 -0.0037 1789 GLY 41 C 0.0024 -0.0017 -0.0031 1790 GLY 41 O 0.0024 -0.0019 -0.0030 1791 SER 42 N 0.0021 -0.0015 -0.0027 1792 SER 42 CA 0.0016 -0.0016 -0.0021 1793 SER 42 C 0.0015 -0.0012 -0.0020 1794 SER 42 O 0.0013 -0.0014 -0.0017 1795 SER 42 CB 0.0013 -0.0013 -0.0018 1796 SER 42 OG 0.0009 -0.0014 -0.0012 1797 LYS 43 N 0.0016 -0.0005 -0.0023 1798 LYS 43 CA 0.0015 -0.0001 -0.0023 1799 LYS 43 C 0.0018 0.0004 -0.0028 1800 LYS 43 O 0.0017 0.0009 -0.0028 1801 LYS 43 CB 0.0010 0.0002 -0.0018 1802 LYS 43 CG 0.0009 0.0005 -0.0017 1803 LYS 43 CD 0.0005 0.0008 -0.0012 1804 LYS 43 CE 0.0004 0.0010 -0.0012 1805 LYS 43 NZ 0.0006 0.0016 -0.0016 1806 THR 44 N 0.0021 0.0004 -0.0032 1807 THR 44 CA 0.0023 0.0009 -0.0037 1808 THR 44 C 0.0023 0.0011 -0.0036 1809 THR 44 O 0.0022 0.0008 -0.0034 1810 THR 44 CB 0.0028 0.0006 -0.0042 1811 THR 44 OG1 0.0030 0.0001 -0.0043 1812 THR 44 CG2 0.0029 0.0003 -0.0043 1813 LYS 45 N 0.0016 0.0021 -0.0031 1814 LYS 45 CA 0.0014 0.0025 -0.0023 1815 LYS 45 C 0.0022 0.0030 -0.0021 1816 LYS 45 O 0.0027 0.0033 -0.0019 1817 LYS 45 CB 0.0010 0.0028 -0.0017 1818 LYS 45 CG 0.0007 0.0031 -0.0009 1819 LYS 45 CD 0.0002 0.0033 -0.0004 1820 LYS 45 CE -0.0002 0.0036 0.0004 1821 LYS 45 NZ -0.0006 0.0038 0.0009 1822 GLU 46 N 0.0022 0.0029 -0.0022 1823 GLU 46 CA 0.0030 0.0033 -0.0022 1824 GLU 46 C 0.0029 0.0035 -0.0018 1825 GLU 46 O 0.0025 0.0032 -0.0020 1826 GLU 46 CB 0.0035 0.0029 -0.0031 1827 GLU 46 CG 0.0030 0.0023 -0.0037 1828 GLU 46 CD 0.0035 0.0020 -0.0045 1829 GLU 46 OE1 0.0042 0.0022 -0.0046 1830 GLU 46 OE2 0.0031 0.0015 -0.0050 1831 GLY 47 N 0.0033 0.0040 -0.0012 1832 GLY 47 CA 0.0032 0.0043 -0.0007 1833 GLY 47 C 0.0024 0.0044 -0.0000 1834 GLY 47 O 0.0020 0.0044 0.0002 1835 VAL 48 N 0.0023 0.0046 0.0003 1836 VAL 48 CA 0.0015 0.0046 0.0009 1837 VAL 48 C 0.0017 0.0052 0.0017 1838 VAL 48 O 0.0024 0.0055 0.0017 1839 VAL 48 CB 0.0011 0.0043 0.0006 1840 VAL 48 CG1 0.0002 0.0043 0.0012 1841 VAL 48 CG2 0.0009 0.0037 -0.0002 1842 VAL 49 N -0.0009 0.0089 0.0022 1843 VAL 49 CA -0.0005 0.0086 0.0028 1844 VAL 49 C -0.0004 0.0084 0.0031 1845 VAL 49 O -0.0008 0.0081 0.0031 1846 VAL 49 CB -0.0009 0.0081 0.0031 1847 VAL 49 CG1 -0.0006 0.0077 0.0037 1848 VAL 49 CG2 -0.0010 0.0083 0.0028 1849 HIS 50 N 0.0003 0.0084 0.0034 1850 HIS 50 CA 0.0004 0.0082 0.0037 1851 HIS 50 C 0.0011 0.0080 0.0042 1852 HIS 50 O 0.0016 0.0083 0.0041 1853 HIS 50 CB 0.0005 0.0086 0.0033 1854 HIS 50 CG 0.0011 0.0091 0.0031 1855 HIS 50 ND1 0.0017 0.0091 0.0033 1856 HIS 50 CD2 0.0012 0.0096 0.0026 1857 HIS 50 CE1 0.0021 0.0096 0.0030 1858 HIS 50 NE2 0.0018 0.0099 0.0026 1859 GLY 51 N 0.0010 0.0076 0.0046 1860 GLY 51 CA 0.0016 0.0073 0.0051 1861 GLY 51 C 0.0016 0.0071 0.0055 1862 GLY 51 O 0.0021 0.0072 0.0055 1863 VAL 52 N 0.0011 0.0066 0.0057 1864 VAL 52 CA 0.0011 0.0064 0.0059 1865 VAL 52 C 0.0010 0.0058 0.0065 1866 VAL 52 O 0.0006 0.0055 0.0066 1867 VAL 52 CB 0.0005 0.0064 0.0056 1868 VAL 52 CG1 0.0004 0.0060 0.0060 1869 VAL 52 CG2 0.0006 0.0069 0.0051 1870 ALA 53 N -0.0012 0.0042 0.0076 1871 ALA 53 CA -0.0005 0.0019 0.0072 1872 ALA 53 C -0.0023 0.0002 0.0069 1873 ALA 53 O -0.0032 0.0005 0.0070 1874 ALA 53 CB 0.0019 0.0013 0.0072 1875 THR 54 N -0.0028 -0.0015 0.0067 1876 THR 54 CA -0.0047 -0.0031 0.0064 1877 THR 54 C -0.0041 -0.0055 0.0060 1878 THR 54 O -0.0035 -0.0057 0.0059 1879 THR 54 CB -0.0070 -0.0023 0.0065 1880 THR 54 OG1 -0.0076 -0.0001 0.0069 1881 THR 54 CG2 -0.0089 -0.0039 0.0062 1882 VAL 55 N -0.0042 -0.0072 0.0057 1883 VAL 55 CA -0.0038 -0.0096 0.0053 1884 VAL 55 C -0.0060 -0.0109 0.0050 1885 VAL 55 O -0.0067 -0.0108 0.0051 1886 VAL 55 CB -0.0016 -0.0106 0.0051 1887 VAL 55 CG1 -0.0014 -0.0131 0.0047 1888 VAL 55 CG2 0.0005 -0.0093 0.0054 1889 ALA 56 N -0.0069 -0.0122 0.0048 1890 ALA 56 CA -0.0090 -0.0136 0.0046 1891 ALA 56 C -0.0085 -0.0160 0.0042 1892 ALA 56 O -0.0084 -0.0164 0.0041 1893 ALA 56 CB -0.0111 -0.0126 0.0047 1894 GLU 57 N -0.0083 -0.0163 0.0018 1895 GLU 57 CA -0.0077 -0.0172 -0.0001 1896 GLU 57 C -0.0091 -0.0175 -0.0014 1897 GLU 57 O -0.0108 -0.0172 -0.0017 1898 GLU 57 CB -0.0077 -0.0174 -0.0005 1899 GLU 57 CG -0.0061 -0.0173 0.0006 1900 GLU 57 CD -0.0062 -0.0175 0.0001 1901 GLU 57 OE1 -0.0075 -0.0176 -0.0010 1902 GLU 57 OE2 -0.0049 -0.0175 0.0007 1903 LYS 58 N -0.0084 -0.0179 -0.0022 1904 LYS 58 CA -0.0096 -0.0181 -0.0033 1905 LYS 58 C -0.0088 -0.0191 -0.0051 1906 LYS 58 O -0.0073 -0.0194 -0.0052 1907 LYS 58 CB -0.0098 -0.0177 -0.0024 1908 LYS 58 CG -0.0109 -0.0168 -0.0007 1909 LYS 58 CD -0.0111 -0.0163 0.0002 1910 LYS 58 CE -0.0122 -0.0154 0.0019 1911 LYS 58 NZ -0.0125 -0.0150 0.0027 1912 THR 59 N -0.0097 -0.0195 -0.0066 1913 THR 59 CA -0.0089 -0.0204 -0.0084 1914 THR 59 C -0.0091 -0.0207 -0.0091 1915 THR 59 O -0.0078 -0.0213 -0.0101 1916 THR 59 CB -0.0100 -0.0207 -0.0096 1917 THR 59 OG1 -0.0099 -0.0204 -0.0088 1918 THR 59 CG2 -0.0091 -0.0216 -0.0115 1919 LYS 60 N -0.0106 -0.0202 -0.0087 1920 LYS 60 CA -0.0107 -0.0204 -0.0094 1921 LYS 60 C -0.0118 -0.0196 -0.0081 1922 LYS 60 O -0.0135 -0.0192 -0.0079 1923 LYS 60 CB -0.0116 -0.0210 -0.0113 1924 LYS 60 CG -0.0116 -0.0214 -0.0121 1925 LYS 60 CD -0.0123 -0.0220 -0.0141 1926 LYS 60 CE -0.0123 -0.0224 -0.0149 1927 LYS 60 NZ -0.0131 -0.0230 -0.0168 1928 GLU 61 N -0.0090 -0.0155 -0.0069 1929 GLU 61 CA -0.0089 -0.0161 -0.0056 1930 GLU 61 C -0.0082 -0.0155 -0.0048 1931 GLU 61 O -0.0074 -0.0146 -0.0047 1932 GLU 61 CB -0.0088 -0.0161 -0.0053 1933 GLU 61 CG -0.0088 -0.0166 -0.0040 1934 GLU 61 CD -0.0087 -0.0167 -0.0036 1935 GLU 61 OE1 -0.0087 -0.0163 -0.0045 1936 GLU 61 OE2 -0.0087 -0.0171 -0.0025 1937 GLN 62 N -0.0084 -0.0160 -0.0041 1938 GLN 62 CA -0.0077 -0.0156 -0.0033 1939 GLN 62 C -0.0078 -0.0162 -0.0020 1940 GLN 62 O -0.0084 -0.0171 -0.0018 1941 GLN 62 CB -0.0078 -0.0155 -0.0039 1942 GLN 62 CG -0.0072 -0.0149 -0.0032 1943 GLN 62 CD -0.0073 -0.0148 -0.0038 1944 GLN 62 OE1 -0.0079 -0.0151 -0.0048 1945 GLN 62 NE2 -0.0067 -0.0143 -0.0033 1946 VAL 63 N -0.0071 -0.0157 -0.0011 1947 VAL 63 CA -0.0070 -0.0163 0.0002 1948 VAL 63 C -0.0062 -0.0156 0.0009 1949 VAL 63 O -0.0055 -0.0148 0.0012 1950 VAL 63 CB -0.0070 -0.0164 0.0007 1951 VAL 63 CG1 -0.0069 -0.0169 0.0021 1952 VAL 63 CG2 -0.0078 -0.0171 -0.0000 1953 THR 64 N -0.0064 -0.0159 0.0013 1954 THR 64 CA -0.0057 -0.0153 0.0019 1955 THR 64 C -0.0058 -0.0160 0.0031 1956 THR 64 O -0.0064 -0.0166 0.0030 1957 THR 64 CB -0.0055 -0.0148 0.0011 1958 THR 64 OG1 -0.0063 -0.0156 0.0009 1959 THR 64 CG2 -0.0055 -0.0142 -0.0002 1960 ASN 65 N -0.0017 -0.0103 0.0047 1961 ASN 65 CA -0.0015 -0.0102 0.0045 1962 ASN 65 C -0.0032 -0.0101 0.0053 1963 ASN 65 O -0.0047 -0.0098 0.0056 1964 ASN 65 CB -0.0008 -0.0095 0.0026 1965 ASN 65 CG -0.0023 -0.0084 0.0013 1966 ASN 65 OD1 -0.0040 -0.0082 0.0017 1967 ASN 65 ND2 -0.0016 -0.0078 -0.0003 1968 VAL 66 N -0.0030 -0.0103 0.0056 1969 VAL 66 CA -0.0047 -0.0101 0.0060 1970 VAL 66 C -0.0044 -0.0095 0.0047 1971 VAL 66 O -0.0029 -0.0097 0.0042 1972 VAL 66 CB -0.0050 -0.0109 0.0079 1973 VAL 66 CG1 -0.0048 -0.0116 0.0092 1974 VAL 66 CG2 -0.0039 -0.0114 0.0083 1975 GLY 67 N -0.0059 -0.0087 0.0041 1976 GLY 67 CA -0.0060 -0.0082 0.0029 1977 GLY 67 C -0.0049 -0.0076 0.0012 1978 GLY 67 O -0.0049 -0.0071 0.0001 1979 GLY 68 N -0.0039 -0.0077 0.0008 1980 GLY 68 CA -0.0026 -0.0073 -0.0008 1981 GLY 68 C -0.0028 -0.0068 -0.0018 1982 GLY 68 O -0.0040 -0.0067 -0.0013 1983 ALA 69 N -0.0023 -0.0048 -0.0031 1984 ALA 69 CA -0.0030 -0.0052 -0.0031 1985 ALA 69 C -0.0029 -0.0050 -0.0028 1986 ALA 69 O -0.0024 -0.0049 -0.0031 1987 ALA 69 CB -0.0030 -0.0058 -0.0040 1988 VAL 70 N -0.0035 -0.0049 -0.0021 1989 VAL 70 CA -0.0035 -0.0047 -0.0016 1990 VAL 70 C -0.0042 -0.0051 -0.0017 1991 VAL 70 O -0.0049 -0.0055 -0.0015 1992 VAL 70 CB -0.0035 -0.0041 -0.0007 1993 VAL 70 CG1 -0.0036 -0.0039 -0.0002 1994 VAL 70 CG2 -0.0028 -0.0037 -0.0007 1995 VAL 71 N -0.0040 -0.0051 -0.0019 1996 VAL 71 CA -0.0046 -0.0055 -0.0019 1997 VAL 71 C -0.0047 -0.0051 -0.0012 1998 VAL 71 O -0.0041 -0.0047 -0.0011 1999 VAL 71 CB -0.0044 -0.0059 -0.0027 2000 VAL 71 CG1 -0.0050 -0.0062 -0.0026 2001 VAL 71 CG2 -0.0045 -0.0063 -0.0034 2002 THR 72 N -0.0054 -0.0052 -0.0006 2003 THR 72 CA -0.0055 -0.0049 0.0001 2004 THR 72 C -0.0061 -0.0053 0.0001 2005 THR 72 O -0.0068 -0.0057 0.0002 2006 THR 72 CB -0.0057 -0.0046 0.0009 2007 THR 72 OG1 -0.0065 -0.0050 0.0010 2008 THR 72 CG2 -0.0051 -0.0042 0.0009 2009 GLY 73 N -0.0064 -0.0027 0.0017 2010 GLY 73 CA -0.0053 -0.0025 0.0020 2011 GLY 73 C -0.0050 -0.0018 0.0022 2012 GLY 73 O -0.0044 -0.0022 0.0023 2013 VAL 74 N -0.0052 -0.0008 0.0022 2014 VAL 74 CA -0.0048 -0.0001 0.0023 2015 VAL 74 C -0.0038 0.0004 0.0026 2016 VAL 74 O -0.0037 0.0004 0.0027 2017 VAL 74 CB -0.0056 0.0007 0.0022 2018 VAL 74 CG1 -0.0067 0.0002 0.0018 2019 VAL 74 CG2 -0.0057 0.0017 0.0022 2020 THR 75 N -0.0031 0.0007 0.0028 2021 THR 75 CA -0.0021 0.0010 0.0032 2022 THR 75 C -0.0018 0.0019 0.0033 2023 THR 75 O -0.0019 0.0017 0.0033 2024 THR 75 CB -0.0013 0.0001 0.0033 2025 THR 75 OG1 -0.0017 -0.0007 0.0032 2026 THR 75 CG2 -0.0003 0.0004 0.0036 2027 ALA 76 N -0.0013 0.0027 0.0035 2028 ALA 76 CA -0.0008 0.0036 0.0037 2029 ALA 76 C -0.0015 0.0041 0.0035 2030 ALA 76 O -0.0013 0.0042 0.0036 2031 ALA 76 CB 0.0002 0.0031 0.0039 2032 VAL 77 N -0.0012 0.0048 0.0029 2033 VAL 77 CA -0.0009 0.0044 0.0025 2034 VAL 77 C -0.0007 0.0039 0.0021 2035 VAL 77 O -0.0004 0.0041 0.0021 2036 VAL 77 CB -0.0003 0.0048 0.0025 2037 VAL 77 CG1 0.0001 0.0044 0.0021 2038 VAL 77 CG2 -0.0004 0.0053 0.0028 2039 ALA 78 N -0.0009 0.0034 0.0019 2040 ALA 78 CA -0.0008 0.0029 0.0015 2041 ALA 78 C -0.0007 0.0023 0.0012 2042 ALA 78 O -0.0011 0.0020 0.0011 2043 ALA 78 CB -0.0014 0.0027 0.0017 2044 GLN 79 N -0.0000 0.0022 0.0008 2045 GLN 79 CA 0.0001 0.0017 0.0005 2046 GLN 79 C 0.0003 0.0013 0.0001 2047 GLN 79 O 0.0005 0.0014 0.0001 2048 GLN 79 CB 0.0007 0.0019 0.0004 2049 GLN 79 CG 0.0013 0.0022 0.0002 2050 GLN 79 CD 0.0019 0.0024 0.0002 2051 GLN 79 OE1 0.0017 0.0023 0.0002 2052 GLN 79 NE2 0.0025 0.0026 0.0001 2053 LYS 80 N 0.0003 0.0007 -0.0002 2054 LYS 80 CA 0.0006 0.0003 -0.0006 2055 LYS 80 C 0.0011 0.0000 -0.0009 2056 LYS 80 O 0.0009 -0.0000 -0.0009 2057 LYS 80 CB 0.0001 -0.0003 -0.0007 2058 LYS 80 CG 0.0004 -0.0007 -0.0011 2059 LYS 80 CD -0.0001 -0.0012 -0.0012 2060 LYS 80 CE 0.0003 -0.0016 -0.0016 2061 LYS 80 NZ -0.0001 -0.0021 -0.0017 2062 THR 81 N 0.0017 -0.0022 0.0005 2063 THR 81 CA 0.0036 -0.0028 0.0006 2064 THR 81 C 0.0039 -0.0047 0.0010 2065 THR 81 O 0.0034 -0.0049 0.0011 2066 THR 81 CB 0.0049 -0.0015 0.0002 2067 THR 81 OG1 0.0047 0.0003 -0.0001 2068 THR 81 CG2 0.0069 -0.0021 0.0003 2069 VAL 82 N 0.0045 -0.0060 0.0013 2070 VAL 82 CA 0.0051 -0.0078 0.0017 2071 VAL 82 C 0.0072 -0.0078 0.0016 2072 VAL 82 O 0.0081 -0.0076 0.0015 2073 VAL 82 CB 0.0044 -0.0093 0.0020 2074 VAL 82 CG1 0.0051 -0.0112 0.0024 2075 VAL 82 CG2 0.0022 -0.0093 0.0021 2076 GLU 83 N 0.0079 -0.0081 0.0016 2077 GLU 83 CA 0.0099 -0.0083 0.0016 2078 GLU 83 C 0.0109 -0.0065 0.0011 2079 GLU 83 O 0.0121 -0.0066 0.0011 2080 GLU 83 CB 0.0108 -0.0100 0.0019 2081 GLU 83 CG 0.0100 -0.0117 0.0023 2082 GLU 83 CD 0.0109 -0.0134 0.0027 2083 GLU 83 OE1 0.0121 -0.0132 0.0026 2084 GLU 83 OE2 0.0105 -0.0149 0.0030 2085 GLY 84 N 0.0104 -0.0050 0.0008 2086 GLY 84 CA 0.0114 -0.0033 0.0004 2087 GLY 84 C 0.0106 -0.0019 0.0001 2088 GLY 84 O 0.0092 -0.0021 0.0002 2089 ALA 85 N 0.0055 -0.0028 -0.0001 2090 ALA 85 CA 0.0049 -0.0018 -0.0005 2091 ALA 85 C 0.0048 -0.0014 -0.0007 2092 ALA 85 O 0.0054 -0.0016 -0.0010 2093 ALA 85 CB 0.0055 -0.0013 -0.0013 2094 GLY 86 N 0.0039 -0.0008 -0.0006 2095 GLY 86 CA 0.0037 -0.0004 -0.0008 2096 GLY 86 C 0.0032 0.0007 -0.0013 2097 GLY 86 O 0.0023 0.0011 -0.0010 2098 SER 87 N 0.0037 0.0012 -0.0021 2099 SER 87 CA 0.0033 0.0022 -0.0026 2100 SER 87 C 0.0032 0.0024 -0.0027 2101 SER 87 O 0.0039 0.0023 -0.0031 2102 SER 87 CB 0.0040 0.0026 -0.0035 2103 SER 87 OG 0.0040 0.0025 -0.0034 2104 ILE 88 N 0.0022 0.0027 -0.0023 2105 ILE 88 CA 0.0020 0.0028 -0.0023 2106 ILE 88 C 0.0023 0.0036 -0.0031 2107 ILE 88 O 0.0029 0.0035 -0.0034 2108 ILE 88 CB 0.0010 0.0029 -0.0016 2109 ILE 88 CG1 0.0009 0.0019 -0.0007 2110 ILE 88 CG2 0.0007 0.0032 -0.0016 2111 ILE 88 CD1 -0.0001 0.0019 0.0000 2112 ALA 89 N -0.0015 -0.0037 -0.0041 2113 ALA 89 CA -0.0014 -0.0035 -0.0035 2114 ALA 89 C -0.0008 -0.0027 -0.0049 2115 ALA 89 O 0.0000 -0.0014 -0.0048 2116 ALA 89 CB -0.0012 -0.0026 -0.0018 2117 ALA 90 N -0.0011 -0.0036 -0.0062 2118 ALA 90 CA -0.0005 -0.0030 -0.0077 2119 ALA 90 C -0.0007 -0.0034 -0.0076 2120 ALA 90 O -0.0015 -0.0045 -0.0069 2121 ALA 90 CB -0.0006 -0.0036 -0.0094 2122 ALA 91 N -0.0001 -0.0024 -0.0083 2123 ALA 91 CA -0.0002 -0.0026 -0.0083 2124 ALA 91 C 0.0005 -0.0019 -0.0098 2125 ALA 91 O 0.0013 -0.0005 -0.0099 2126 ALA 91 CB -0.0000 -0.0019 -0.0066 2127 THR 92 N 0.0001 -0.0028 -0.0109 2128 THR 92 CA 0.0007 -0.0022 -0.0124 2129 THR 92 C 0.0005 -0.0025 -0.0123 2130 THR 92 O -0.0003 -0.0037 -0.0116 2131 THR 92 CB 0.0005 -0.0030 -0.0140 2132 THR 92 OG1 -0.0004 -0.0045 -0.0141 2133 THR 92 CG2 0.0006 -0.0028 -0.0141 2134 GLY 93 N 0.0084 -0.0012 -0.0142 2135 GLY 93 CA 0.0075 -0.0008 -0.0105 2136 GLY 93 C 0.0060 0.0001 -0.0093 2137 GLY 93 O 0.0038 0.0013 -0.0072 2138 PHE 94 N 0.0072 -0.0006 -0.0108 2139 PHE 94 CA 0.0061 0.0000 -0.0098 2140 PHE 94 C 0.0063 0.0001 -0.0131 2141 PHE 94 O 0.0086 -0.0013 -0.0151 2142 PHE 94 CB 0.0081 -0.0013 -0.0068 2143 PHE 94 CG 0.0076 -0.0012 -0.0032 2144 PHE 94 CD1 0.0054 0.0001 -0.0009 2145 PHE 94 CD2 0.0094 -0.0024 -0.0022 2146 PHE 94 CE1 0.0049 0.0002 0.0025 2147 PHE 94 CE2 0.0090 -0.0023 0.0011 2148 PHE 94 CZ 0.0068 -0.0010 0.0035 2149 VAL 95 N 0.0040 0.0016 -0.0137 2150 VAL 95 CA 0.0040 0.0017 -0.0164 2151 VAL 95 C 0.0028 0.0023 -0.0147 2152 VAL 95 O 0.0002 0.0039 -0.0133 2153 VAL 95 CB 0.0021 0.0030 -0.0197 2154 VAL 95 CG1 0.0019 0.0032 -0.0222 2155 VAL 95 CG2 0.0035 0.0022 -0.0217 2156 LYS 96 N 0.0046 0.0012 -0.0148 2157 LYS 96 CA 0.0038 0.0016 -0.0131 2158 LYS 96 C 0.0039 0.0017 -0.0159 2159 LYS 96 O 0.0047 0.0013 -0.0191 2160 LYS 96 CB 0.0059 0.0002 -0.0100 2161 LYS 96 CG 0.0056 0.0002 -0.0068 2162 LYS 96 CD 0.0027 0.0019 -0.0047 2163 LYS 96 CE 0.0024 0.0019 -0.0016 2164 LYS 96 NZ 0.0047 0.0004 0.0013 2165 LYS 97 N 0.0049 0.0132 -0.0100 2166 LYS 97 CA 0.0046 0.0134 -0.0121 2167 LYS 97 C 0.0044 0.0134 -0.0128 2168 LYS 97 O 0.0036 0.0130 -0.0118 2169 LYS 97 CB 0.0031 0.0129 -0.0127 2170 LYS 97 CG 0.0028 0.0131 -0.0148 2171 LYS 97 CD 0.0043 0.0138 -0.0156 2172 LYS 97 CE 0.0040 0.0141 -0.0177 2173 LYS 97 NZ 0.0024 0.0135 -0.0182 2174 ASP 98 N 0.0051 0.0140 -0.0144 2175 ASP 98 CA 0.0048 0.0140 -0.0153 2176 ASP 98 C 0.0044 0.0142 -0.0174 2177 ASP 98 O 0.0043 0.0143 -0.0180 2178 ASP 98 CB 0.0064 0.0146 -0.0149 2179 ASP 98 CG 0.0060 0.0145 -0.0153 2180 ASP 98 OD1 0.0045 0.0140 -0.0159 2181 ASP 98 OD2 0.0072 0.0149 -0.0149 2182 GLN 99 N 0.0042 0.0143 -0.0185 2183 GLN 99 CA 0.0039 0.0145 -0.0206 2184 GLN 99 C 0.0055 0.0153 -0.0215 2185 GLN 99 O 0.0053 0.0154 -0.0226 2186 GLN 99 CB 0.0034 0.0144 -0.0214 2187 GLN 99 CG 0.0029 0.0146 -0.0235 2188 GLN 99 CD 0.0025 0.0145 -0.0243 2189 GLN 99 OE1 0.0025 0.0144 -0.0233 2190 GLN 99 NE2 0.0020 0.0146 -0.0262 2191 VAL 37 N 0.0022 -0.0016 0.0023 2192 VAL 37 CA 0.0015 -0.0012 0.0021 2193 VAL 37 C 0.0013 -0.0008 0.0016 2194 VAL 37 O 0.0007 -0.0004 0.0015 2195 VAL 37 CB 0.0010 -0.0012 0.0028 2196 VAL 37 CG1 0.0011 -0.0014 0.0032 2197 VAL 37 CG2 0.0010 -0.0014 0.0034 2198 LEU 38 N 0.0018 -0.0009 0.0012 2199 LEU 38 CA 0.0017 -0.0006 0.0007 2200 LEU 38 C 0.0015 -0.0002 -0.0000 2201 LEU 38 O 0.0010 0.0002 -0.0002 2202 LEU 38 CB 0.0024 -0.0009 0.0004 2203 LEU 38 CG 0.0025 -0.0012 0.0009 2204 LEU 38 CD1 0.0020 -0.0008 0.0008 2205 LEU 38 CD2 0.0026 -0.0015 0.0017 2206 TYR 39 N 0.0019 -0.0003 -0.0003 2207 TYR 39 CA 0.0017 0.0001 -0.0010 2208 TYR 39 C 0.0017 0.0004 -0.0017 2209 TYR 39 O 0.0011 0.0008 -0.0019 2210 TYR 39 CB 0.0010 0.0004 -0.0008 2211 TYR 39 CG 0.0011 0.0001 -0.0002 2212 TYR 39 CD1 0.0014 0.0001 -0.0005 2213 TYR 39 CD2 0.0008 -0.0001 0.0005 2214 TYR 39 CE1 0.0014 -0.0002 -0.0000 2215 TYR 39 CE2 0.0008 -0.0003 0.0010 2216 TYR 39 CZ 0.0011 -0.0003 0.0007 2217 TYR 39 OH 0.0012 -0.0006 0.0012 2218 VAL 40 N 0.0023 0.0002 -0.0019 2219 VAL 40 CA 0.0023 0.0005 -0.0026 2220 VAL 40 C 0.0024 0.0008 -0.0033 2221 VAL 40 O 0.0020 0.0012 -0.0038 2222 VAL 40 CB 0.0030 0.0002 -0.0027 2223 VAL 40 CG1 0.0031 0.0004 -0.0034 2224 VAL 40 CG2 0.0030 -0.0001 -0.0020 2225 GLY 41 N 0.0033 0.0001 -0.0041 2226 GLY 41 CA 0.0032 0.0005 -0.0040 2227 GLY 41 C 0.0027 0.0006 -0.0033 2228 GLY 41 O 0.0026 0.0004 -0.0032 2229 SER 42 N 0.0023 0.0008 -0.0029 2230 SER 42 CA 0.0018 0.0007 -0.0023 2231 SER 42 C 0.0016 0.0012 -0.0021 2232 SER 42 O 0.0013 0.0009 -0.0017 2233 SER 42 CB 0.0015 0.0009 -0.0020 2234 SER 42 OG 0.0010 0.0008 -0.0013 2235 LYS 43 N 0.0017 0.0019 -0.0023 2236 LYS 43 CA 0.0016 0.0024 -0.0023 2237 LYS 43 C 0.0020 0.0030 -0.0028 2238 LYS 43 O 0.0020 0.0035 -0.0028 2239 LYS 43 CB 0.0011 0.0028 -0.0017 2240 LYS 43 CG 0.0010 0.0032 -0.0015 2241 LYS 43 CD 0.0005 0.0035 -0.0009 2242 LYS 43 CE 0.0003 0.0038 -0.0008 2243 LYS 43 NZ 0.0007 0.0045 -0.0012 2244 THR 44 N 0.0024 0.0030 -0.0032 2245 THR 44 CA 0.0027 0.0036 -0.0036 2246 THR 44 C 0.0026 0.0039 -0.0035 2247 THR 44 O 0.0024 0.0035 -0.0033 2248 THR 44 CB 0.0033 0.0033 -0.0043 2249 THR 44 OG1 0.0034 0.0027 -0.0043 2250 THR 44 CG2 0.0034 0.0029 -0.0043 2251 LYS 45 N 0.0035 0.0046 -0.0029 2252 LYS 45 CA 0.0032 0.0050 -0.0020 2253 LYS 45 C 0.0041 0.0055 -0.0018 2254 LYS 45 O 0.0048 0.0059 -0.0016 2255 LYS 45 CB 0.0029 0.0053 -0.0014 2256 LYS 45 CG 0.0025 0.0057 -0.0004 2257 LYS 45 CD 0.0020 0.0058 0.0001 2258 LYS 45 CE 0.0016 0.0062 0.0011 2259 LYS 45 NZ 0.0011 0.0064 0.0017 2260 GLU 46 N 0.0041 0.0055 -0.0019 2261 GLU 46 CA 0.0050 0.0058 -0.0020 2262 GLU 46 C 0.0049 0.0060 -0.0015 2263 GLU 46 O 0.0043 0.0057 -0.0017 2264 GLU 46 CB 0.0055 0.0054 -0.0029 2265 GLU 46 CG 0.0049 0.0048 -0.0036 2266 GLU 46 CD 0.0055 0.0044 -0.0045 2267 GLU 46 OE1 0.0062 0.0047 -0.0047 2268 GLU 46 OE2 0.0051 0.0039 -0.0051 2269 GLY 47 N 0.0053 0.0066 -0.0008 2270 GLY 47 CA 0.0052 0.0069 -0.0003 2271 GLY 47 C 0.0044 0.0070 0.0005 2272 GLY 47 O 0.0038 0.0069 0.0007 2273 VAL 48 N 0.0043 0.0072 0.0009 2274 VAL 48 CA 0.0034 0.0072 0.0015 2275 VAL 48 C 0.0037 0.0079 0.0024 2276 VAL 48 O 0.0044 0.0082 0.0025 2277 VAL 48 CB 0.0029 0.0068 0.0012 2278 VAL 48 CG1 0.0020 0.0069 0.0019 2279 VAL 48 CG2 0.0027 0.0062 0.0003 2280 VAL 49 N -0.0002 0.0106 0.0037 2281 VAL 49 CA 0.0001 0.0102 0.0041 2282 VAL 49 C 0.0005 0.0099 0.0044 2283 VAL 49 O 0.0003 0.0096 0.0044 2284 VAL 49 CB -0.0003 0.0097 0.0040 2285 VAL 49 CG1 -0.0000 0.0093 0.0043 2286 VAL 49 CG2 -0.0006 0.0100 0.0037 2287 HIS 50 N 0.0010 0.0100 0.0047 2288 HIS 50 CA 0.0014 0.0097 0.0050 2289 HIS 50 C 0.0019 0.0096 0.0054 2290 HIS 50 O 0.0021 0.0099 0.0054 2291 HIS 50 CB 0.0016 0.0101 0.0050 2292 HIS 50 CG 0.0020 0.0107 0.0050 2293 HIS 50 ND1 0.0026 0.0108 0.0054 2294 HIS 50 CD2 0.0019 0.0113 0.0048 2295 HIS 50 CE1 0.0028 0.0114 0.0053 2296 HIS 50 NE2 0.0024 0.0117 0.0049 2297 GLY 51 N 0.0020 0.0090 0.0057 2298 GLY 51 CA 0.0025 0.0088 0.0060 2299 GLY 51 C 0.0023 0.0085 0.0060 2300 GLY 51 O 0.0025 0.0087 0.0061 2301 VAL 52 N 0.0019 0.0080 0.0059 2302 VAL 52 CA 0.0017 0.0077 0.0059 2303 VAL 52 C 0.0018 0.0070 0.0062 2304 VAL 52 O 0.0017 0.0067 0.0062 2305 VAL 52 CB 0.0011 0.0077 0.0055 2306 VAL 52 CG1 0.0009 0.0074 0.0055 2307 VAL 52 CG2 0.0010 0.0084 0.0053 2308 ALA 53 N -0.0023 0.0060 0.0060 2309 ALA 53 CA -0.0015 0.0030 0.0060 2310 ALA 53 C -0.0037 0.0010 0.0059 2311 ALA 53 O -0.0044 0.0014 0.0058 2312 ALA 53 CB 0.0016 0.0022 0.0061 2313 THR 54 N -0.0046 -0.0013 0.0058 2314 THR 54 CA -0.0069 -0.0032 0.0056 2315 THR 54 C -0.0063 -0.0063 0.0056 2316 THR 54 O -0.0060 -0.0066 0.0056 2317 THR 54 CB -0.0099 -0.0021 0.0055 2318 THR 54 OG1 -0.0104 0.0007 0.0056 2319 THR 54 CG2 -0.0122 -0.0042 0.0054 2320 VAL 55 N -0.0063 -0.0084 0.0055 2321 VAL 55 CA -0.0060 -0.0114 0.0054 2322 VAL 55 C -0.0085 -0.0131 0.0053 2323 VAL 55 O -0.0091 -0.0128 0.0053 2324 VAL 55 CB -0.0031 -0.0127 0.0055 2325 VAL 55 CG1 -0.0029 -0.0160 0.0055 2326 VAL 55 CG2 -0.0005 -0.0112 0.0057 2327 ALA 56 N -0.0100 -0.0148 0.0052 2328 ALA 56 CA -0.0125 -0.0165 0.0050 2329 ALA 56 C -0.0121 -0.0196 0.0050 2330 ALA 56 O -0.0123 -0.0202 0.0050 2331 ALA 56 CB -0.0154 -0.0152 0.0050 2332 GLU 57 N -0.0148 -0.0178 0.0036 2333 GLU 57 CA -0.0140 -0.0191 0.0011 2334 GLU 57 C -0.0159 -0.0193 -0.0009 2335 GLU 57 O -0.0182 -0.0188 -0.0013 2336 GLU 57 CB -0.0140 -0.0193 0.0007 2337 GLU 57 CG -0.0119 -0.0192 0.0023 2338 GLU 57 CD -0.0120 -0.0194 0.0018 2339 GLU 57 OE1 -0.0138 -0.0195 0.0003 2340 GLU 57 OE2 -0.0102 -0.0195 0.0029 2341 LYS 58 N -0.0150 -0.0201 -0.0021 2342 LYS 58 CA -0.0167 -0.0203 -0.0038 2343 LYS 58 C -0.0156 -0.0217 -0.0063 2344 LYS 58 O -0.0136 -0.0224 -0.0064 2345 LYS 58 CB -0.0170 -0.0198 -0.0026 2346 LYS 58 CG -0.0185 -0.0183 -0.0004 2347 LYS 58 CD -0.0188 -0.0178 0.0007 2348 LYS 58 CE -0.0203 -0.0164 0.0029 2349 LYS 58 NZ -0.0206 -0.0158 0.0039 2350 THR 59 N -0.0169 -0.0222 -0.0082 2351 THR 59 CA -0.0159 -0.0235 -0.0106 2352 THR 59 C -0.0161 -0.0240 -0.0119 2353 THR 59 O -0.0144 -0.0251 -0.0131 2354 THR 59 CB -0.0173 -0.0238 -0.0123 2355 THR 59 OG1 -0.0171 -0.0233 -0.0110 2356 THR 59 CG2 -0.0161 -0.0252 -0.0147 2357 LYS 60 N -0.0181 -0.0232 -0.0115 2358 LYS 60 CA -0.0183 -0.0236 -0.0125 2359 LYS 60 C -0.0198 -0.0224 -0.0109 2360 LYS 60 O -0.0221 -0.0216 -0.0106 2361 LYS 60 CB -0.0196 -0.0243 -0.0152 2362 LYS 60 CG -0.0195 -0.0249 -0.0165 2363 LYS 60 CD -0.0206 -0.0257 -0.0192 2364 LYS 60 CE -0.0205 -0.0263 -0.0205 2365 LYS 60 NZ -0.0216 -0.0271 -0.0232 2366 GLU 61 N -0.0127 -0.0183 -0.0081 2367 GLU 61 CA -0.0125 -0.0192 -0.0065 2368 GLU 61 C -0.0111 -0.0186 -0.0058 2369 GLU 61 O -0.0099 -0.0178 -0.0058 2370 GLU 61 CB -0.0125 -0.0197 -0.0057 2371 GLU 61 CG -0.0123 -0.0206 -0.0040 2372 GLU 61 CD -0.0123 -0.0211 -0.0033 2373 GLU 61 OE1 -0.0125 -0.0207 -0.0041 2374 GLU 61 OE2 -0.0121 -0.0219 -0.0019 2375 GLN 62 N -0.0112 -0.0191 -0.0052 2376 GLN 62 CA -0.0099 -0.0185 -0.0046 2377 GLN 62 C -0.0098 -0.0195 -0.0030 2378 GLN 62 O -0.0108 -0.0204 -0.0028 2379 GLN 62 CB -0.0100 -0.0180 -0.0057 2380 GLN 62 CG -0.0087 -0.0173 -0.0052 2381 GLN 62 CD -0.0088 -0.0167 -0.0063 2382 GLN 62 OE1 -0.0099 -0.0168 -0.0074 2383 GLN 62 NE2 -0.0077 -0.0161 -0.0059 2384 VAL 63 N -0.0086 -0.0193 -0.0019 2385 VAL 63 CA -0.0084 -0.0202 -0.0003 2386 VAL 63 C -0.0069 -0.0194 0.0003 2387 VAL 63 O -0.0058 -0.0189 0.0007 2388 VAL 63 CB -0.0084 -0.0208 0.0007 2389 VAL 63 CG1 -0.0081 -0.0216 0.0023 2390 VAL 63 CG2 -0.0099 -0.0215 0.0001 2391 THR 64 N -0.0069 -0.0195 0.0003 2392 THR 64 CA -0.0056 -0.0188 0.0008 2393 THR 64 C -0.0056 -0.0196 0.0021 2394 THR 64 O -0.0064 -0.0200 0.0018 2395 THR 64 CB -0.0054 -0.0178 -0.0005 2396 THR 64 OG1 -0.0064 -0.0184 -0.0009 2397 THR 64 CG2 -0.0056 -0.0171 -0.0019 2398 ASN 65 N 0.0047 -0.0116 0.0044 2399 ASN 65 CA 0.0053 -0.0118 0.0043 2400 ASN 65 C 0.0035 -0.0115 0.0054 2401 ASN 65 O 0.0017 -0.0109 0.0058 2402 ASN 65 CB 0.0060 -0.0114 0.0020 2403 ASN 65 CG 0.0043 -0.0103 0.0005 2404 ASN 65 OD1 0.0025 -0.0097 0.0011 2405 ASN 65 ND2 0.0050 -0.0099 -0.0016 2406 VAL 66 N 0.0041 -0.0119 0.0060 2407 VAL 66 CA 0.0025 -0.0115 0.0066 2408 VAL 66 C 0.0030 -0.0112 0.0051 2409 VAL 66 O 0.0048 -0.0117 0.0045 2410 VAL 66 CB 0.0023 -0.0121 0.0090 2411 VAL 66 CG1 0.0023 -0.0126 0.0105 2412 VAL 66 CG2 0.0038 -0.0129 0.0096 2413 GLY 67 N 0.0013 -0.0103 0.0045 2414 GLY 67 CA 0.0015 -0.0100 0.0032 2415 GLY 67 C 0.0027 -0.0098 0.0009 2416 GLY 67 O 0.0028 -0.0094 -0.0002 2417 GLY 68 N 0.0035 -0.0099 0.0003 2418 GLY 68 CA 0.0048 -0.0098 -0.0017 2419 GLY 68 C 0.0042 -0.0091 -0.0030 2420 GLY 68 O 0.0027 -0.0087 -0.0024 2421 ALA 69 N 0.0046 -0.0039 -0.0041 2422 ALA 69 CA 0.0032 -0.0048 -0.0041 2423 ALA 69 C 0.0026 -0.0045 -0.0036 2424 ALA 69 O 0.0032 -0.0047 -0.0040 2425 ALA 69 CB 0.0034 -0.0062 -0.0051 2426 VAL 70 N 0.0014 -0.0041 -0.0028 2427 VAL 70 CA 0.0007 -0.0037 -0.0022 2428 VAL 70 C -0.0007 -0.0046 -0.0022 2429 VAL 70 O -0.0016 -0.0050 -0.0020 2430 VAL 70 CB 0.0005 -0.0023 -0.0011 2431 VAL 70 CG1 -0.0003 -0.0019 -0.0005 2432 VAL 70 CG2 0.0019 -0.0013 -0.0011 2433 VAL 71 N -0.0009 -0.0051 -0.0024 2434 VAL 71 CA -0.0022 -0.0059 -0.0024 2435 VAL 71 C -0.0029 -0.0051 -0.0015 2436 VAL 71 O -0.0022 -0.0045 -0.0015 2437 VAL 71 CB -0.0019 -0.0071 -0.0034 2438 VAL 71 CG1 -0.0033 -0.0079 -0.0033 2439 VAL 71 CG2 -0.0013 -0.0079 -0.0042 2440 THR 72 N -0.0042 -0.0050 -0.0008 2441 THR 72 CA -0.0050 -0.0042 0.0000 2442 THR 72 C -0.0064 -0.0050 0.0001 2443 THR 72 O -0.0073 -0.0056 0.0002 2444 THR 72 CB -0.0053 -0.0031 0.0010 2445 THR 72 OG1 -0.0062 -0.0035 0.0011 2446 THR 72 CG2 -0.0039 -0.0022 0.0010 2447 GLY 73 N -0.0075 -0.0033 0.0015 2448 GLY 73 CA -0.0061 -0.0031 0.0018 2449 GLY 73 C -0.0057 -0.0023 0.0019 2450 GLY 73 O -0.0050 -0.0027 0.0021 2451 VAL 74 N -0.0060 -0.0011 0.0020 2452 VAL 74 CA -0.0055 -0.0002 0.0022 2453 VAL 74 C -0.0043 0.0003 0.0025 2454 VAL 74 O -0.0042 0.0003 0.0025 2455 VAL 74 CB -0.0064 0.0008 0.0021 2456 VAL 74 CG1 -0.0077 0.0002 0.0018 2457 VAL 74 CG2 -0.0065 0.0018 0.0021 2458 THR 75 N -0.0035 0.0007 0.0027 2459 THR 75 CA -0.0023 0.0011 0.0030 2460 THR 75 C -0.0018 0.0021 0.0031 2461 THR 75 O -0.0020 0.0020 0.0031 2462 THR 75 CB -0.0014 -0.0000 0.0030 2463 THR 75 OG1 -0.0018 -0.0010 0.0029 2464 THR 75 CG2 -0.0001 0.0003 0.0033 2465 ALA 76 N -0.0013 0.0031 0.0033 2466 ALA 76 CA -0.0007 0.0041 0.0035 2467 ALA 76 C -0.0015 0.0048 0.0034 2468 ALA 76 O -0.0012 0.0050 0.0035 2469 ALA 76 CB 0.0005 0.0036 0.0037 2470 VAL 77 N -0.0004 0.0055 0.0026 2471 VAL 77 CA -0.0002 0.0051 0.0022 2472 VAL 77 C -0.0000 0.0048 0.0019 2473 VAL 77 O 0.0002 0.0052 0.0019 2474 VAL 77 CB 0.0003 0.0054 0.0019 2475 VAL 77 CG1 0.0006 0.0050 0.0015 2476 VAL 77 CG2 0.0002 0.0057 0.0022 2477 ALA 78 N -0.0002 0.0043 0.0017 2478 ALA 78 CA -0.0001 0.0040 0.0015 2479 ALA 78 C -0.0000 0.0034 0.0011 2480 ALA 78 O -0.0003 0.0030 0.0012 2481 ALA 78 CB -0.0006 0.0038 0.0019 2482 GLN 79 N 0.0004 0.0034 0.0007 2483 GLN 79 CA 0.0006 0.0029 0.0003 2484 GLN 79 C 0.0007 0.0027 0.0000 2485 GLN 79 O 0.0008 0.0030 0.0001 2486 GLN 79 CB 0.0010 0.0030 -0.0000 2487 GLN 79 CG 0.0015 0.0034 -0.0003 2488 GLN 79 CD 0.0019 0.0035 -0.0006 2489 GLN 79 OE1 0.0018 0.0033 -0.0006 2490 GLN 79 NE2 0.0023 0.0039 -0.0008 2491 LYS 80 N 0.0007 0.0021 -0.0003 2492 LYS 80 CA 0.0009 0.0019 -0.0006 2493 LYS 80 C 0.0013 0.0016 -0.0011 2494 LYS 80 O 0.0012 0.0014 -0.0011 2495 LYS 80 CB 0.0006 0.0014 -0.0005 2496 LYS 80 CG 0.0008 0.0013 -0.0008 2497 LYS 80 CD 0.0004 0.0008 -0.0007 2498 LYS 80 CE 0.0007 0.0007 -0.0010 2499 LYS 80 NZ 0.0003 0.0002 -0.0010 2500 THR 81 N 0.0008 -0.0011 0.0008 2501 THR 81 CA 0.0027 -0.0018 0.0007 2502 THR 81 C 0.0027 -0.0034 0.0014 2503 THR 81 O 0.0020 -0.0034 0.0015 2504 THR 81 CB 0.0038 -0.0004 0.0000 2505 THR 81 OG1 0.0037 0.0011 -0.0006 2506 THR 81 CG2 0.0057 -0.0011 -0.0001 2507 VAL 82 N 0.0035 -0.0048 0.0018 2508 VAL 82 CA 0.0039 -0.0064 0.0023 2509 VAL 82 C 0.0060 -0.0066 0.0020 2510 VAL 82 O 0.0071 -0.0065 0.0018 2511 VAL 82 CB 0.0034 -0.0080 0.0030 2512 VAL 82 CG1 0.0040 -0.0097 0.0036 2513 VAL 82 CG2 0.0014 -0.0079 0.0034 2514 GLU 83 N 0.0064 -0.0066 0.0020 2515 GLU 83 CA 0.0083 -0.0068 0.0017 2516 GLU 83 C 0.0094 -0.0053 0.0009 2517 GLU 83 O 0.0107 -0.0055 0.0008 2518 GLU 83 CB 0.0092 -0.0085 0.0022 2519 GLU 83 CG 0.0083 -0.0101 0.0030 2520 GLU 83 CD 0.0094 -0.0118 0.0035 2521 GLU 83 OE1 0.0107 -0.0118 0.0033 2522 GLU 83 OE2 0.0088 -0.0131 0.0041 2523 GLY 84 N 0.0088 -0.0038 0.0004 2524 GLY 84 CA 0.0098 -0.0022 -0.0003 2525 GLY 84 C 0.0088 -0.0007 -0.0008 2526 GLY 84 O 0.0073 -0.0008 -0.0005 2527 ALA 85 N 0.0045 -0.0010 -0.0013 2528 ALA 85 CA 0.0039 0.0001 -0.0018 2529 ALA 85 C 0.0040 0.0000 -0.0019 2530 ALA 85 O 0.0048 -0.0007 -0.0023 2531 ALA 85 CB 0.0041 0.0007 -0.0031 2532 GLY 86 N 0.0032 0.0008 -0.0015 2533 GLY 86 CA 0.0033 0.0008 -0.0016 2534 GLY 86 C 0.0027 0.0019 -0.0022 2535 GLY 86 O 0.0018 0.0027 -0.0017 2536 SER 87 N 0.0031 0.0020 -0.0033 2537 SER 87 CA 0.0027 0.0030 -0.0040 2538 SER 87 C 0.0028 0.0027 -0.0039 2539 SER 87 O 0.0036 0.0021 -0.0046 2540 SER 87 CB 0.0030 0.0034 -0.0054 2541 SER 87 OG 0.0028 0.0037 -0.0055 2542 ILE 88 N 0.0021 0.0032 -0.0032 2543 ILE 88 CA 0.0023 0.0028 -0.0028 2544 ILE 88 C 0.0024 0.0033 -0.0040 2545 ILE 88 O 0.0031 0.0026 -0.0045 2546 ILE 88 CB 0.0014 0.0031 -0.0016 2547 ILE 88 CG1 0.0015 0.0024 -0.0004 2548 ILE 88 CG2 0.0015 0.0030 -0.0014 2549 ILE 88 CD1 0.0007 0.0027 0.0008 2550 ALA 89 N -0.0010 -0.0058 -0.0047 2551 ALA 89 CA -0.0007 -0.0044 -0.0043 2552 ALA 89 C 0.0010 -0.0034 -0.0059 2553 ALA 89 O 0.0017 -0.0017 -0.0058 2554 ALA 89 CB -0.0014 -0.0028 -0.0025 2555 ALA 90 N 0.0016 -0.0046 -0.0074 2556 ALA 90 CA 0.0032 -0.0039 -0.0090 2557 ALA 90 C 0.0035 -0.0033 -0.0092 2558 ALA 90 O 0.0026 -0.0042 -0.0085 2559 ALA 90 CB 0.0037 -0.0056 -0.0107 2560 ALA 91 N 0.0049 -0.0019 -0.0101 2561 ALA 91 CA 0.0054 -0.0012 -0.0103 2562 ALA 91 C 0.0070 -0.0004 -0.0120 2563 ALA 91 O 0.0078 0.0011 -0.0122 2564 ALA 91 CB 0.0048 0.0006 -0.0086 2565 THR 92 N 0.0076 -0.0013 -0.0133 2566 THR 92 CA 0.0092 -0.0007 -0.0150 2567 THR 92 C 0.0096 -0.0001 -0.0152 2568 THR 92 O 0.0087 -0.0010 -0.0146 2569 THR 92 CB 0.0097 -0.0025 -0.0167 2570 THR 92 OG1 0.0090 -0.0042 -0.0168 2571 THR 92 CG2 0.0091 -0.0033 -0.0165 2572 GLY 93 N 0.0231 -0.0039 -0.0181 2573 GLY 93 CA 0.0227 -0.0023 -0.0136 2574 GLY 93 C 0.0223 -0.0018 -0.0127 2575 GLY 93 O 0.0201 0.0002 -0.0101 2576 PHE 94 N 0.0245 -0.0036 -0.0147 2577 PHE 94 CA 0.0246 -0.0034 -0.0140 2578 PHE 94 C 0.0249 -0.0049 -0.0181 2579 PHE 94 O 0.0273 -0.0069 -0.0205 2580 PHE 94 CB 0.0282 -0.0041 -0.0106 2581 PHE 94 CG 0.0278 -0.0025 -0.0062 2582 PHE 94 CD1 0.0259 -0.0007 -0.0035 2583 PHE 94 CD2 0.0293 -0.0028 -0.0046 2584 PHE 94 CE1 0.0256 0.0008 0.0006 2585 PHE 94 CE2 0.0290 -0.0012 -0.0005 2586 PHE 94 CZ 0.0271 0.0006 0.0021 2587 VAL 95 N 0.0227 -0.0041 -0.0191 2588 VAL 95 CA 0.0231 -0.0054 -0.0226 2589 VAL 95 C 0.0231 -0.0049 -0.0210 2590 VAL 95 O 0.0202 -0.0029 -0.0194 2591 VAL 95 CB 0.0197 -0.0049 -0.0264 2592 VAL 95 CG1 0.0200 -0.0062 -0.0298 2593 VAL 95 CG2 0.0199 -0.0057 -0.0284 2594 LYS 96 N 0.0262 -0.0067 -0.0214 2595 LYS 96 CA 0.0267 -0.0064 -0.0198 2596 LYS 96 C 0.0273 -0.0079 -0.0235 2597 LYS 96 O 0.0274 -0.0091 -0.0271 2598 LYS 96 CB 0.0302 -0.0070 -0.0162 2599 LYS 96 CG 0.0297 -0.0054 -0.0122 2600 LYS 96 CD 0.0268 -0.0031 -0.0097 2601 LYS 96 CE 0.0262 -0.0016 -0.0057 2602 LYS 96 NZ 0.0298 -0.0023 -0.0025 2603 LYS 97 N 0.0284 0.0049 -0.0146 2604 LYS 97 CA 0.0261 0.0103 -0.0183 2605 LYS 97 C 0.0202 0.0101 -0.0180 2606 LYS 97 O 0.0164 0.0064 -0.0153 2607 LYS 97 CB 0.0244 0.0131 -0.0203 2608 LYS 97 CG 0.0226 0.0189 -0.0243 2609 LYS 97 CD 0.0282 0.0222 -0.0267 2610 LYS 97 CE 0.0262 0.0280 -0.0307 2611 LYS 97 NZ 0.0243 0.0304 -0.0323 2612 ASP 98 N 0.0196 0.0140 -0.0207 2613 ASP 98 CA 0.0139 0.0147 -0.0210 2614 ASP 98 C 0.0122 0.0206 -0.0251 2615 ASP 98 O 0.0152 0.0237 -0.0274 2616 ASP 98 CB 0.0153 0.0124 -0.0195 2617 ASP 98 CG 0.0093 0.0113 -0.0185 2618 ASP 98 OD1 0.0039 0.0125 -0.0192 2619 ASP 98 OD2 0.0098 0.0093 -0.0171 2620 GLN 99 N 0.0072 0.0220 -0.0260 2621 GLN 99 CA 0.0051 0.0276 -0.0298 2622 GLN 99 C 0.0101 0.0309 -0.0323 2623 GLN 99 O 0.0118 0.0352 -0.0353 2624 GLN 99 CB -0.0013 0.0279 -0.0298 2625 GLN 99 CG -0.0041 0.0335 -0.0337 2626 GLN 99 CD -0.0104 0.0337 -0.0336 2627 GLN 99 OE1 -0.0127 0.0296 -0.0307 2628 GLN 99 NE2 -0.0133 0.0384 -0.0368 2629 VAL 37 N -0.0025 0.0002 0.0025 2630 VAL 37 CA -0.0020 0.0001 0.0022 2631 VAL 37 C -0.0015 -0.0001 0.0018 2632 VAL 37 O -0.0009 -0.0002 0.0017 2633 VAL 37 CB -0.0017 -0.0001 0.0028 2634 VAL 37 CG1 -0.0023 0.0000 0.0031 2635 VAL 37 CG2 -0.0016 -0.0002 0.0035 2636 LEU 38 N -0.0017 0.0000 0.0015 2637 LEU 38 CA -0.0012 -0.0001 0.0011 2638 LEU 38 C -0.0010 -0.0000 0.0003 2639 LEU 38 O -0.0004 -0.0002 0.0001 2640 LEU 38 CB -0.0016 0.0001 0.0010 2641 LEU 38 CG -0.0015 -0.0000 0.0015 2642 LEU 38 CD1 -0.0007 -0.0003 0.0015 2643 LEU 38 CD2 -0.0017 -0.0000 0.0023 2644 TYR 39 N -0.0015 0.0002 -0.0001 2645 TYR 39 CA -0.0015 0.0002 -0.0008 2646 TYR 39 C -0.0011 0.0002 -0.0013 2647 TYR 39 O -0.0005 0.0000 -0.0016 2648 TYR 39 CB -0.0011 0.0001 -0.0007 2649 TYR 39 CG -0.0015 0.0002 -0.0003 2650 TYR 39 CD1 -0.0020 0.0004 -0.0006 2651 TYR 39 CD2 -0.0014 0.0001 0.0004 2652 TYR 39 CE1 -0.0024 0.0005 -0.0002 2653 TYR 39 CE2 -0.0018 0.0001 0.0008 2654 TYR 39 CZ -0.0023 0.0003 0.0005 2655 TYR 39 OH -0.0027 0.0004 0.0008 2656 VAL 40 N -0.0014 0.0003 -0.0015 2657 VAL 40 CA -0.0011 0.0003 -0.0021 2658 VAL 40 C -0.0012 0.0004 -0.0028 2659 VAL 40 O -0.0007 0.0003 -0.0033 2660 VAL 40 CB -0.0014 0.0004 -0.0020 2661 VAL 40 CG1 -0.0011 0.0004 -0.0026 2662 VAL 40 CG2 -0.0013 0.0003 -0.0013 2663 GLY 41 N -0.0029 0.0012 -0.0034 2664 GLY 41 CA -0.0028 0.0008 -0.0035 2665 GLY 41 C -0.0022 0.0007 -0.0031 2666 GLY 41 O -0.0022 0.0007 -0.0031 2667 SER 42 N -0.0018 0.0006 -0.0028 2668 SER 42 CA -0.0013 0.0007 -0.0025 2669 SER 42 C -0.0011 0.0002 -0.0024 2670 SER 42 O -0.0008 0.0003 -0.0022 2671 SER 42 CB -0.0009 0.0007 -0.0022 2672 SER 42 OG -0.0004 0.0007 -0.0018 2673 LYS 43 N -0.0012 -0.0004 -0.0026 2674 LYS 43 CA -0.0011 -0.0009 -0.0027 2675 LYS 43 C -0.0015 -0.0014 -0.0031 2676 LYS 43 O -0.0014 -0.0016 -0.0031 2677 LYS 43 CB -0.0005 -0.0012 -0.0024 2678 LYS 43 CG -0.0004 -0.0016 -0.0024 2679 LYS 43 CD 0.0001 -0.0019 -0.0021 2680 LYS 43 CE 0.0002 -0.0023 -0.0021 2681 LYS 43 NZ -0.0001 -0.0029 -0.0025 2682 THR 44 N -0.0018 -0.0015 -0.0034 2683 THR 44 CA -0.0021 -0.0020 -0.0037 2684 THR 44 C -0.0021 -0.0024 -0.0037 2685 THR 44 O -0.0020 -0.0022 -0.0036 2686 THR 44 CB -0.0027 -0.0018 -0.0040 2687 THR 44 OG1 -0.0029 -0.0014 -0.0041 2688 THR 44 CG2 -0.0028 -0.0013 -0.0040 2689 LYS 45 N -0.0026 -0.0036 -0.0033 2690 LYS 45 CA -0.0024 -0.0043 -0.0026 2691 LYS 45 C -0.0033 -0.0049 -0.0024 2692 LYS 45 O -0.0038 -0.0053 -0.0022 2693 LYS 45 CB -0.0017 -0.0046 -0.0021 2694 LYS 45 CG -0.0013 -0.0053 -0.0013 2695 LYS 45 CD -0.0006 -0.0056 -0.0009 2696 LYS 45 CE -0.0001 -0.0062 -0.0001 2697 LYS 45 NZ 0.0006 -0.0064 0.0003 2698 GLU 46 N -0.0036 -0.0050 -0.0024 2699 GLU 46 CA -0.0047 -0.0053 -0.0024 2700 GLU 46 C -0.0047 -0.0058 -0.0020 2701 GLU 46 O -0.0044 -0.0055 -0.0021 2702 GLU 46 CB -0.0053 -0.0047 -0.0032 2703 GLU 46 CG -0.0049 -0.0040 -0.0037 2704 GLU 46 CD -0.0055 -0.0034 -0.0044 2705 GLU 46 OE1 -0.0062 -0.0035 -0.0046 2706 GLU 46 OE2 -0.0053 -0.0028 -0.0049 2707 GLY 47 N -0.0052 -0.0066 -0.0014 2708 GLY 47 CA -0.0052 -0.0071 -0.0010 2709 GLY 47 C -0.0043 -0.0074 -0.0004 2710 GLY 47 O -0.0039 -0.0075 -0.0002 2711 VAL 48 N -0.0039 -0.0076 -0.0000 2712 VAL 48 CA -0.0029 -0.0078 0.0004 2713 VAL 48 C -0.0030 -0.0086 0.0012 2714 VAL 48 O -0.0035 -0.0089 0.0012 2715 VAL 48 CB -0.0022 -0.0072 0.0001 2716 VAL 48 CG1 -0.0011 -0.0074 0.0006 2717 VAL 48 CG2 -0.0021 -0.0064 -0.0006 2718 VAL 49 N 0.0012 -0.0131 0.0015 2719 VAL 49 CA 0.0009 -0.0129 0.0021 2720 VAL 49 C 0.0008 -0.0126 0.0025 2721 VAL 49 O 0.0012 -0.0122 0.0025 2722 VAL 49 CB 0.0012 -0.0125 0.0022 2723 VAL 49 CG1 0.0009 -0.0122 0.0028 2724 VAL 49 CG2 0.0012 -0.0128 0.0019 2725 HIS 50 N 0.0003 -0.0127 0.0029 2726 HIS 50 CA 0.0002 -0.0125 0.0033 2727 HIS 50 C -0.0003 -0.0124 0.0039 2728 HIS 50 O -0.0008 -0.0128 0.0039 2729 HIS 50 CB 0.0001 -0.0127 0.0031 2730 HIS 50 CG -0.0004 -0.0132 0.0030 2731 HIS 50 ND1 -0.0009 -0.0133 0.0033 2732 HIS 50 CD2 -0.0004 -0.0137 0.0025 2733 HIS 50 CE1 -0.0012 -0.0138 0.0031 2734 HIS 50 NE2 -0.0010 -0.0140 0.0026 2735 GLY 51 N -0.0002 -0.0120 0.0043 2736 GLY 51 CA -0.0007 -0.0119 0.0049 2737 GLY 51 C -0.0008 -0.0118 0.0051 2738 GLY 51 O -0.0012 -0.0121 0.0052 2739 VAL 52 N -0.0003 -0.0113 0.0051 2740 VAL 52 CA -0.0003 -0.0112 0.0053 2741 VAL 52 C -0.0003 -0.0107 0.0059 2742 VAL 52 O 0.0001 -0.0103 0.0059 2743 VAL 52 CB 0.0001 -0.0112 0.0048 2744 VAL 52 CG1 0.0002 -0.0110 0.0050 2745 VAL 52 CG2 0.0000 -0.0117 0.0043 2746 ALA 53 N 0.0043 -0.0090 0.0061 2747 ALA 53 CA 0.0036 -0.0063 0.0061 2748 ALA 53 C 0.0055 -0.0048 0.0056 2749 ALA 53 O 0.0062 -0.0056 0.0055 2750 ALA 53 CB 0.0009 -0.0058 0.0067 2751 THR 54 N 0.0062 -0.0026 0.0053 2752 THR 54 CA 0.0082 -0.0010 0.0048 2753 THR 54 C 0.0077 0.0018 0.0048 2754 THR 54 O 0.0073 0.0026 0.0048 2755 THR 54 CB 0.0108 -0.0018 0.0042 2756 THR 54 OG1 0.0113 -0.0045 0.0042 2757 THR 54 CG2 0.0128 -0.0002 0.0036 2758 VAL 55 N 0.0077 0.0033 0.0047 2759 VAL 55 CA 0.0074 0.0061 0.0047 2760 VAL 55 C 0.0096 0.0074 0.0041 2761 VAL 55 O 0.0101 0.0067 0.0040 2762 VAL 55 CB 0.0048 0.0071 0.0052 2763 VAL 55 CG1 0.0047 0.0100 0.0051 2764 VAL 55 CG2 0.0027 0.0059 0.0058 2765 ALA 56 N 0.0108 0.0091 0.0037 2766 ALA 56 CA 0.0129 0.0105 0.0031 2767 ALA 56 C 0.0126 0.0134 0.0031 2768 ALA 56 O 0.0127 0.0143 0.0030 2769 ALA 56 CB 0.0154 0.0095 0.0026 2770 GLU 57 N 0.0145 0.0126 0.0025 2771 GLU 57 CA 0.0138 0.0141 0.0001 2772 GLU 57 C 0.0158 0.0145 -0.0018 2773 GLU 57 O 0.0181 0.0140 -0.0022 2774 GLU 57 CB 0.0135 0.0144 -0.0003 2775 GLU 57 CG 0.0112 0.0142 0.0013 2776 GLU 57 CD 0.0110 0.0146 0.0008 2777 GLU 57 OE1 0.0128 0.0148 -0.0007 2778 GLU 57 OE2 0.0090 0.0146 0.0018 2779 LYS 58 N 0.0151 0.0153 -0.0030 2780 LYS 58 CA 0.0170 0.0156 -0.0047 2781 LYS 58 C 0.0159 0.0173 -0.0071 2782 LYS 58 O 0.0141 0.0179 -0.0072 2783 LYS 58 CB 0.0175 0.0149 -0.0036 2784 LYS 58 CG 0.0189 0.0133 -0.0014 2785 LYS 58 CD 0.0195 0.0126 -0.0004 2786 LYS 58 CE 0.0209 0.0110 0.0018 2787 LYS 58 NZ 0.0215 0.0103 0.0028 2788 THR 59 N 0.0172 0.0179 -0.0090 2789 THR 59 CA 0.0162 0.0195 -0.0113 2790 THR 59 C 0.0167 0.0200 -0.0126 2791 THR 59 O 0.0150 0.0211 -0.0138 2792 THR 59 CB 0.0175 0.0200 -0.0129 2793 THR 59 OG1 0.0170 0.0194 -0.0117 2794 THR 59 CG2 0.0163 0.0216 -0.0153 2795 LYS 60 N 0.0188 0.0191 -0.0122 2796 LYS 60 CA 0.0193 0.0195 -0.0132 2797 LYS 60 C 0.0209 0.0182 -0.0116 2798 LYS 60 O 0.0232 0.0174 -0.0114 2799 LYS 60 CB 0.0206 0.0205 -0.0158 2800 LYS 60 CG 0.0208 0.0211 -0.0171 2801 LYS 60 CD 0.0220 0.0222 -0.0197 2802 LYS 60 CE 0.0222 0.0228 -0.0210 2803 LYS 60 NZ 0.0233 0.0239 -0.0236 2804 GLU 61 N 0.0128 0.0166 -0.0087 2805 GLU 61 CA 0.0123 0.0179 -0.0068 2806 GLU 61 C 0.0106 0.0170 -0.0055 2807 GLU 61 O 0.0096 0.0157 -0.0054 2808 GLU 61 CB 0.0125 0.0186 -0.0065 2809 GLU 61 CG 0.0120 0.0199 -0.0045 2810 GLU 61 CD 0.0122 0.0206 -0.0042 2811 GLU 61 OE1 0.0128 0.0200 -0.0055 2812 GLU 61 OE2 0.0119 0.0217 -0.0027 2813 GLN 62 N 0.0104 0.0177 -0.0045 2814 GLN 62 CA 0.0089 0.0169 -0.0033 2815 GLN 62 C 0.0085 0.0183 -0.0014 2816 GLN 62 O 0.0093 0.0197 -0.0011 2817 GLN 62 CB 0.0088 0.0161 -0.0040 2818 GLN 62 CG 0.0073 0.0151 -0.0029 2819 GLN 62 CD 0.0073 0.0143 -0.0037 2820 GLN 62 OE1 0.0084 0.0145 -0.0050 2821 GLN 62 NE2 0.0059 0.0134 -0.0028 2822 VAL 63 N 0.0072 0.0180 -0.0001 2823 VAL 63 CA 0.0067 0.0192 0.0018 2824 VAL 63 C 0.0050 0.0180 0.0030 2825 VAL 63 O 0.0040 0.0170 0.0034 2826 VAL 63 CB 0.0068 0.0201 0.0025 2827 VAL 63 CG1 0.0062 0.0213 0.0045 2828 VAL 63 CG2 0.0085 0.0212 0.0013 2829 THR 64 N 0.0047 0.0182 0.0035 2830 THR 64 CA 0.0031 0.0171 0.0045 2831 THR 64 C 0.0028 0.0184 0.0063 2832 THR 64 O 0.0033 0.0191 0.0062 2833 THR 64 CB 0.0029 0.0157 0.0035 2834 THR 64 OG1 0.0037 0.0166 0.0033 2835 THR 64 CG2 0.0035 0.0146 0.0016 2836 ASN 65 N -0.0079 0.0127 0.0085 2837 ASN 65 CA -0.0092 0.0134 0.0088 2838 ASN 65 C -0.0074 0.0126 0.0107 2839 ASN 65 O -0.0050 0.0113 0.0112 2840 ASN 65 CB -0.0101 0.0136 0.0056 2841 ASN 65 CG -0.0078 0.0121 0.0036 2842 ASN 65 OD1 -0.0056 0.0110 0.0046 2843 ASN 65 ND2 -0.0085 0.0121 0.0007 2844 VAL 66 N -0.0085 0.0134 0.0119 2845 VAL 66 CA -0.0069 0.0127 0.0131 2846 VAL 66 C -0.0078 0.0130 0.0114 2847 VAL 66 O -0.0102 0.0142 0.0105 2848 VAL 66 CB -0.0070 0.0131 0.0167 2849 VAL 66 CG1 -0.0067 0.0131 0.0183 2850 VAL 66 CG2 -0.0094 0.0146 0.0177 2851 GLY 67 N -0.0059 0.0118 0.0108 2852 GLY 67 CA -0.0064 0.0120 0.0093 2853 GLY 67 C -0.0077 0.0123 0.0060 2854 GLY 67 O -0.0081 0.0124 0.0047 2855 GLY 68 N -0.0083 0.0125 0.0047 2856 GLY 68 CA -0.0098 0.0130 0.0019 2857 GLY 68 C -0.0085 0.0120 -0.0004 2858 GLY 68 O -0.0063 0.0109 0.0003 2859 ALA 69 N -0.0091 0.0053 -0.0024 2860 ALA 69 CA -0.0072 0.0063 -0.0028 2861 ALA 69 C -0.0065 0.0062 -0.0026 2862 ALA 69 O -0.0074 0.0068 -0.0032 2863 ALA 69 CB -0.0074 0.0081 -0.0043 2864 VAL 70 N -0.0048 0.0055 -0.0018 2865 VAL 70 CA -0.0040 0.0052 -0.0014 2866 VAL 70 C -0.0021 0.0063 -0.0019 2867 VAL 70 O -0.0007 0.0064 -0.0017 2868 VAL 70 CB -0.0037 0.0034 0.0001 2869 VAL 70 CG1 -0.0027 0.0031 0.0005 2870 VAL 70 CG2 -0.0057 0.0024 0.0005 2871 VAL 71 N -0.0019 0.0071 -0.0025 2872 VAL 71 CA -0.0001 0.0081 -0.0029 2873 VAL 71 C 0.0008 0.0073 -0.0021 2874 VAL 71 O -0.0003 0.0069 -0.0020 2875 VAL 71 CB -0.0005 0.0098 -0.0044 2876 VAL 71 CG1 0.0014 0.0107 -0.0047 2877 VAL 71 CG2 -0.0012 0.0107 -0.0052 2878 THR 72 N 0.0027 0.0069 -0.0014 2879 THR 72 CA 0.0036 0.0060 -0.0006 2880 THR 72 C 0.0055 0.0070 -0.0010 2881 THR 72 O 0.0070 0.0073 -0.0010 2882 THR 72 CB 0.0041 0.0044 0.0008 2883 THR 72 OG1 0.0055 0.0045 0.0010 2884 THR 72 CG2 0.0022 0.0033 0.0013 2885 GLY 73 N 0.0075 0.0041 0.0001 2886 GLY 73 CA 0.0060 0.0038 0.0003 2887 GLY 73 C 0.0056 0.0027 0.0003 2888 GLY 73 O 0.0050 0.0031 0.0004 2889 VAL 74 N 0.0060 0.0014 0.0003 2890 VAL 74 CA 0.0055 0.0003 0.0003 2891 VAL 74 C 0.0041 -0.0002 0.0005 2892 VAL 74 O 0.0038 -0.0001 0.0005 2893 VAL 74 CB 0.0066 -0.0008 0.0002 2894 VAL 74 CG1 0.0080 -0.0002 0.0000 2895 VAL 74 CG2 0.0065 -0.0019 0.0001 2896 THR 75 N 0.0032 -0.0007 0.0005 2897 THR 75 CA 0.0018 -0.0011 0.0007 2898 THR 75 C 0.0014 -0.0024 0.0007 2899 THR 75 O 0.0017 -0.0024 0.0007 2900 THR 75 CB 0.0008 0.0001 0.0008 2901 THR 75 OG1 0.0012 0.0013 0.0008 2902 THR 75 CG2 -0.0007 -0.0003 0.0010 2903 ALA 76 N 0.0007 -0.0034 0.0008 2904 ALA 76 CA 0.0001 -0.0046 0.0008 2905 ALA 76 C 0.0011 -0.0055 0.0007 2906 ALA 76 O 0.0009 -0.0059 0.0007 2907 ALA 76 CB -0.0012 -0.0042 0.0010 2908 VAL 77 N 0.0005 -0.0055 0.0001 2909 VAL 77 CA 0.0001 -0.0052 -0.0002 2910 VAL 77 C 0.0001 -0.0048 -0.0002 2911 VAL 77 O 0.0001 -0.0051 -0.0002 2912 VAL 77 CB -0.0004 -0.0055 -0.0004 2913 VAL 77 CG1 -0.0007 -0.0051 -0.0007 2914 VAL 77 CG2 -0.0003 -0.0058 -0.0004 2915 ALA 78 N 0.0001 -0.0043 -0.0002 2916 ALA 78 CA 0.0001 -0.0039 -0.0002 2917 ALA 78 C -0.0002 -0.0034 -0.0004 2918 ALA 78 O -0.0000 -0.0030 -0.0003 2919 ALA 78 CB 0.0006 -0.0038 0.0001 2920 GLN 79 N -0.0006 -0.0034 -0.0007 2921 GLN 79 CA -0.0008 -0.0029 -0.0009 2922 GLN 79 C -0.0009 -0.0026 -0.0009 2923 GLN 79 O -0.0008 -0.0028 -0.0009 2924 GLN 79 CB -0.0013 -0.0030 -0.0012 2925 GLN 79 CG -0.0016 -0.0034 -0.0014 2926 GLN 79 CD -0.0021 -0.0035 -0.0017 2927 GLN 79 OE1 -0.0022 -0.0033 -0.0018 2928 GLN 79 NE2 -0.0024 -0.0038 -0.0019 2929 LYS 80 N -0.0010 -0.0021 -0.0011 2930 LYS 80 CA -0.0011 -0.0018 -0.0012 2931 LYS 80 C -0.0016 -0.0016 -0.0015 2932 LYS 80 O -0.0017 -0.0014 -0.0016 2933 LYS 80 CB -0.0008 -0.0014 -0.0010 2934 LYS 80 CG -0.0009 -0.0011 -0.0010 2935 LYS 80 CD -0.0005 -0.0007 -0.0008 2936 LYS 80 CE -0.0007 -0.0004 -0.0010 2937 LYS 80 NZ -0.0004 0.0000 -0.0008 2938 THR 81 N -0.0007 0.0014 0.0006 2939 THR 81 CA -0.0024 0.0018 0.0010 2940 THR 81 C -0.0023 0.0033 0.0018 2941 THR 81 O -0.0015 0.0036 0.0019 2942 THR 81 CB -0.0032 0.0008 0.0005 2943 THR 81 OG1 -0.0032 -0.0006 -0.0003 2944 THR 81 CG2 -0.0049 0.0012 0.0008 2945 VAL 82 N -0.0031 0.0042 0.0024 2946 VAL 82 CA -0.0034 0.0056 0.0032 2947 VAL 82 C -0.0051 0.0056 0.0034 2948 VAL 82 O -0.0063 0.0053 0.0033 2949 VAL 82 CB -0.0031 0.0067 0.0038 2950 VAL 82 CG1 -0.0036 0.0081 0.0047 2951 VAL 82 CG2 -0.0014 0.0067 0.0037 2952 GLU 83 N -0.0053 0.0059 0.0036 2953 GLU 83 CA -0.0068 0.0060 0.0037 2954 GLU 83 C -0.0078 0.0047 0.0030 2955 GLU 83 O -0.0091 0.0046 0.0031 2956 GLU 83 CB -0.0077 0.0073 0.0045 2957 GLU 83 CG -0.0069 0.0087 0.0052 2958 GLU 83 CD -0.0079 0.0099 0.0060 2959 GLU 83 OE1 -0.0092 0.0096 0.0059 2960 GLU 83 OE2 -0.0074 0.0111 0.0067 2961 GLY 84 N -0.0072 0.0036 0.0024 2962 GLY 84 CA -0.0080 0.0023 0.0017 2963 GLY 84 C -0.0070 0.0013 0.0010 2964 GLY 84 O -0.0056 0.0016 0.0011 2965 ALA 85 N -0.0040 0.0010 0.0002 2966 ALA 85 CA -0.0032 0.0004 -0.0005 2967 ALA 85 C -0.0037 0.0006 -0.0010 2968 ALA 85 O -0.0045 0.0012 -0.0014 2969 ALA 85 CB -0.0030 0.0001 -0.0016 2970 GLY 86 N -0.0030 0.0002 -0.0009 2971 GLY 86 CA -0.0033 0.0004 -0.0014 2972 GLY 86 C -0.0026 -0.0002 -0.0022 2973 GLY 86 O -0.0018 -0.0007 -0.0019 2974 SER 87 N -0.0030 -0.0001 -0.0034 2975 SER 87 CA -0.0024 -0.0006 -0.0043 2976 SER 87 C -0.0030 -0.0003 -0.0046 2977 SER 87 O -0.0038 0.0002 -0.0052 2978 SER 87 CB -0.0024 -0.0007 -0.0054 2979 SER 87 OG -0.0018 -0.0011 -0.0052 2980 ILE 88 N -0.0025 -0.0005 -0.0041 2981 ILE 88 CA -0.0030 -0.0002 -0.0042 2982 ILE 88 C -0.0031 -0.0003 -0.0055 2983 ILE 88 O -0.0039 0.0002 -0.0060 2984 ILE 88 CB -0.0024 -0.0004 -0.0033 2985 ILE 88 CG1 -0.0026 -0.0002 -0.0020 2986 ILE 88 CG2 -0.0028 -0.0002 -0.0035 2987 ILE 88 CD1 -0.0021 -0.0004 -0.0010 2988 ALA 89 N -0.0000 0.0111 -0.0059 2989 ALA 89 CA -0.0005 0.0091 -0.0050 2990 ALA 89 C -0.0030 0.0079 -0.0069 2991 ALA 89 O -0.0043 0.0056 -0.0067 2992 ALA 89 CB 0.0004 0.0069 -0.0026 2993 ALA 90 N -0.0038 0.0093 -0.0088 2994 ALA 90 CA -0.0062 0.0084 -0.0108 2995 ALA 90 C -0.0067 0.0075 -0.0106 2996 ALA 90 O -0.0052 0.0084 -0.0097 2997 ALA 90 CB -0.0070 0.0108 -0.0132 2998 ALA 91 N -0.0088 0.0056 -0.0116 2999 ALA 91 CA -0.0094 0.0044 -0.0114 3000 ALA 91 C -0.0120 0.0034 -0.0135 3001 ALA 91 O -0.0133 0.0016 -0.0138 3002 ALA 91 CB -0.0087 0.0020 -0.0091 3003 THR 92 N -0.0127 0.0045 -0.0151 3004 THR 92 CA -0.0151 0.0037 -0.0171 3005 THR 92 C -0.0156 0.0027 -0.0170 3006 THR 92 O -0.0141 0.0037 -0.0161 3007 THR 92 CB -0.0158 0.0062 -0.0195 3008 THR 92 OG1 -0.0146 0.0082 -0.0197 3009 THR 92 CG2 -0.0151 0.0075 -0.0197 3010 GLY 93 N -0.0298 0.0118 -0.0198 3011 GLY 93 CA -0.0286 0.0100 -0.0128 3012 GLY 93 C -0.0270 0.0090 -0.0113 3013 GLY 93 O -0.0232 0.0064 -0.0073 3014 PHE 94 N -0.0300 0.0110 -0.0145 3015 PHE 94 CA -0.0292 0.0104 -0.0134 3016 PHE 94 C -0.0297 0.0118 -0.0200 3017 PHE 94 O -0.0338 0.0144 -0.0237 3018 PHE 94 CB -0.0341 0.0120 -0.0081 3019 PHE 94 CG -0.0333 0.0105 -0.0010 3020 PHE 94 CD1 -0.0297 0.0080 0.0031 3021 PHE 94 CD2 -0.0362 0.0115 0.0015 3022 PHE 94 CE1 -0.0290 0.0065 0.0097 3023 PHE 94 CE2 -0.0355 0.0101 0.0080 3024 PHE 94 CZ -0.0319 0.0076 0.0121 3025 VAL 95 N -0.0257 0.0100 -0.0215 3026 VAL 95 CA -0.0261 0.0112 -0.0272 3027 VAL 95 C -0.0251 0.0102 -0.0245 3028 VAL 95 O -0.0203 0.0074 -0.0220 3029 VAL 95 CB -0.0215 0.0098 -0.0331 3030 VAL 95 CG1 -0.0216 0.0107 -0.0384 3031 VAL 95 CG2 -0.0228 0.0110 -0.0363 3032 LYS 96 N -0.0295 0.0125 -0.0252 3033 LYS 96 CA -0.0292 0.0120 -0.0228 3034 LYS 96 C -0.0299 0.0133 -0.0286 3035 LYS 96 O -0.0307 0.0147 -0.0343 3036 LYS 96 CB -0.0342 0.0135 -0.0170 3037 LYS 96 CG -0.0335 0.0121 -0.0106 3038 LYS 96 CD -0.0283 0.0089 -0.0068 3039 LYS 96 CE -0.0276 0.0075 -0.0004 3040 LYS 96 NZ -0.0327 0.0092 0.0048 3041 LYS 97 N -0.0231 0.0090 -0.0238 3042 LYS 97 CA -0.0204 0.0020 -0.0234 3043 LYS 97 C -0.0128 0.0024 -0.0189 3044 LYS 97 O -0.0093 0.0057 -0.0163 3045 LYS 97 CB -0.0217 -0.0053 -0.0254 3046 LYS 97 CG -0.0196 -0.0131 -0.0255 3047 LYS 97 CD -0.0241 -0.0143 -0.0284 3048 LYS 97 CE -0.0218 -0.0220 -0.0283 3049 LYS 97 NZ -0.0229 -0.0287 -0.0301 3050 ASP 98 N -0.0103 -0.0008 -0.0180 3051 ASP 98 CA -0.0031 -0.0015 -0.0139 3052 ASP 98 C -0.0014 -0.0096 -0.0143 3053 ASP 98 O -0.0058 -0.0143 -0.0176 3054 ASP 98 CB -0.0014 0.0051 -0.0117 3055 ASP 98 CG 0.0062 0.0064 -0.0071 3056 ASP 98 OD1 0.0102 0.0020 -0.0055 3057 ASP 98 OD2 0.0081 0.0118 -0.0050 3058 GLN 99 N 0.0050 -0.0113 -0.0108 3059 GLN 99 CA 0.0073 -0.0188 -0.0107 3060 GLN 99 C 0.0040 -0.0198 -0.0128 3061 GLN 99 O 0.0013 -0.0258 -0.0154 3062 GLN 99 CB 0.0150 -0.0195 -0.0063 3063 GLN 99 CG 0.0179 -0.0273 -0.0059 3064 GLN 99 CD 0.0255 -0.0278 -0.0015 3065 GLN 99 OE1 0.0288 -0.0223 0.0013 3066 GLN 99 NE2 0.0285 -0.0345 -0.0009 3067 VAL 37 N -0.0042 0.0003 0.0021 3068 VAL 37 CA -0.0038 0.0003 0.0019 3069 VAL 37 C -0.0032 0.0003 0.0015 3070 VAL 37 O -0.0027 0.0002 0.0014 3071 VAL 37 CB -0.0037 0.0001 0.0024 3072 VAL 37 CG1 -0.0044 0.0001 0.0026 3073 VAL 37 CG2 -0.0035 -0.0002 0.0030 3074 LEU 38 N -0.0032 0.0004 0.0013 3075 LEU 38 CA -0.0026 0.0004 0.0009 3076 LEU 38 C -0.0025 0.0006 0.0003 3077 LEU 38 O -0.0019 0.0006 0.0001 3078 LEU 38 CB -0.0028 0.0005 0.0009 3079 LEU 38 CG -0.0026 0.0002 0.0014 3080 LEU 38 CD1 -0.0018 0.0000 0.0014 3081 LEU 38 CD2 -0.0029 -0.0000 0.0021 3082 TYR 39 N -0.0030 0.0009 -0.0001 3083 TYR 39 CA -0.0030 0.0012 -0.0007 3084 TYR 39 C -0.0025 0.0013 -0.0012 3085 TYR 39 O -0.0019 0.0012 -0.0015 3086 TYR 39 CB -0.0028 0.0011 -0.0007 3087 TYR 39 CG -0.0034 0.0011 -0.0003 3088 TYR 39 CD1 -0.0039 0.0014 -0.0007 3089 TYR 39 CD2 -0.0034 0.0009 0.0003 3090 TYR 39 CE1 -0.0045 0.0014 -0.0004 3091 TYR 39 CE2 -0.0039 0.0008 0.0006 3092 TYR 39 CZ -0.0044 0.0011 0.0003 3093 TYR 39 OH -0.0049 0.0011 0.0006 3094 VAL 40 N -0.0026 0.0014 -0.0014 3095 VAL 40 CA -0.0022 0.0014 -0.0018 3096 VAL 40 C -0.0023 0.0018 -0.0025 3097 VAL 40 O -0.0018 0.0018 -0.0029 3098 VAL 40 CB -0.0023 0.0014 -0.0017 3099 VAL 40 CG1 -0.0019 0.0016 -0.0022 3100 VAL 40 CG2 -0.0022 0.0011 -0.0011 3101 GLY 41 N -0.0029 0.0024 -0.0031 3102 GLY 41 CA -0.0029 0.0021 -0.0032 3103 GLY 41 C -0.0024 0.0020 -0.0028 3104 GLY 41 O -0.0024 0.0021 -0.0028 3105 SER 42 N -0.0021 0.0019 -0.0025 3106 SER 42 CA -0.0016 0.0020 -0.0021 3107 SER 42 C -0.0015 0.0016 -0.0021 3108 SER 42 O -0.0013 0.0017 -0.0019 3109 SER 42 CB -0.0013 0.0019 -0.0018 3110 SER 42 OG -0.0009 0.0020 -0.0014 3111 LYS 43 N -0.0015 0.0010 -0.0024 3112 LYS 43 CA -0.0014 0.0007 -0.0024 3113 LYS 43 C -0.0017 0.0002 -0.0028 3114 LYS 43 O -0.0016 -0.0001 -0.0029 3115 LYS 43 CB -0.0010 0.0004 -0.0021 3116 LYS 43 CG -0.0009 0.0000 -0.0022 3117 LYS 43 CD -0.0004 -0.0002 -0.0018 3118 LYS 43 CE -0.0003 -0.0005 -0.0019 3119 LYS 43 NZ -0.0005 -0.0010 -0.0023 3120 THR 44 N -0.0020 0.0002 -0.0032 3121 THR 44 CA -0.0022 -0.0003 -0.0035 3122 THR 44 C -0.0022 -0.0006 -0.0036 3123 THR 44 O -0.0022 -0.0004 -0.0035 3124 THR 44 CB -0.0027 -0.0001 -0.0039 3125 THR 44 OG1 -0.0030 0.0003 -0.0040 3126 THR 44 CG2 -0.0028 0.0002 -0.0038 3127 LYS 45 N -0.0012 -0.0017 -0.0030 3128 LYS 45 CA -0.0010 -0.0022 -0.0024 3129 LYS 45 C -0.0018 -0.0027 -0.0023 3130 LYS 45 O -0.0022 -0.0031 -0.0021 3131 LYS 45 CB -0.0005 -0.0025 -0.0020 3132 LYS 45 CG -0.0001 -0.0030 -0.0013 3133 LYS 45 CD 0.0004 -0.0032 -0.0009 3134 LYS 45 CE 0.0008 -0.0037 -0.0003 3135 LYS 45 NZ 0.0014 -0.0038 0.0002 3136 GLU 46 N -0.0020 -0.0027 -0.0024 3137 GLU 46 CA -0.0028 -0.0031 -0.0025 3138 GLU 46 C -0.0029 -0.0034 -0.0021 3139 GLU 46 O -0.0026 -0.0031 -0.0023 3140 GLU 46 CB -0.0034 -0.0026 -0.0031 3141 GLU 46 CG -0.0030 -0.0020 -0.0036 3142 GLU 46 CD -0.0035 -0.0015 -0.0042 3143 GLU 46 OE1 -0.0041 -0.0017 -0.0043 3144 GLU 46 OE2 -0.0033 -0.0010 -0.0047 3145 GLY 47 N -0.0032 -0.0041 -0.0017 3146 GLY 47 CA -0.0032 -0.0044 -0.0013 3147 GLY 47 C -0.0025 -0.0047 -0.0008 3148 GLY 47 O -0.0021 -0.0047 -0.0007 3149 VAL 48 N -0.0021 -0.0048 -0.0005 3150 VAL 48 CA -0.0013 -0.0049 -0.0000 3151 VAL 48 C -0.0014 -0.0056 0.0006 3152 VAL 48 O -0.0019 -0.0059 0.0006 3153 VAL 48 CB -0.0008 -0.0044 -0.0002 3154 VAL 48 CG1 0.0000 -0.0045 0.0002 3155 VAL 48 CG2 -0.0007 -0.0038 -0.0009 3156 VAL 49 N 0.0016 -0.0092 0.0005 3157 VAL 49 CA 0.0013 -0.0091 0.0011 3158 VAL 49 C 0.0014 -0.0088 0.0017 3159 VAL 49 O 0.0018 -0.0084 0.0017 3160 VAL 49 CB 0.0015 -0.0089 0.0012 3161 VAL 49 CG1 0.0013 -0.0088 0.0020 3162 VAL 49 CG2 0.0013 -0.0093 0.0008 3163 HIS 50 N 0.0009 -0.0091 0.0021 3164 HIS 50 CA 0.0010 -0.0088 0.0027 3165 HIS 50 C 0.0006 -0.0089 0.0034 3166 HIS 50 O 0.0001 -0.0093 0.0034 3167 HIS 50 CB 0.0011 -0.0088 0.0024 3168 HIS 50 CG 0.0006 -0.0093 0.0023 3169 HIS 50 ND1 0.0002 -0.0095 0.0028 3170 HIS 50 CD2 0.0005 -0.0097 0.0017 3171 HIS 50 CE1 -0.0001 -0.0099 0.0026 3172 HIS 50 NE2 -0.0000 -0.0101 0.0019 3173 GLY 51 N 0.0008 -0.0085 0.0039 3174 GLY 51 CA 0.0004 -0.0086 0.0046 3175 GLY 51 C 0.0002 -0.0086 0.0048 3176 GLY 51 O -0.0002 -0.0091 0.0049 3177 VAL 52 N 0.0006 -0.0083 0.0049 3178 VAL 52 CA 0.0005 -0.0083 0.0050 3179 VAL 52 C 0.0006 -0.0079 0.0057 3180 VAL 52 O 0.0011 -0.0074 0.0057 3181 VAL 52 CB 0.0008 -0.0083 0.0044 3182 VAL 52 CG1 0.0007 -0.0082 0.0046 3183 VAL 52 CG2 0.0006 -0.0087 0.0038 3184 ALA 53 N 0.0029 -0.0069 0.0070 3185 ALA 53 CA 0.0022 -0.0046 0.0067 3186 ALA 53 C 0.0039 -0.0032 0.0061 3187 ALA 53 O 0.0048 -0.0038 0.0061 3188 ALA 53 CB 0.0000 -0.0042 0.0071 3189 THR 54 N 0.0044 -0.0014 0.0057 3190 THR 54 CA 0.0061 -0.0000 0.0051 3191 THR 54 C 0.0055 0.0023 0.0048 3192 THR 54 O 0.0049 0.0029 0.0048 3193 THR 54 CB 0.0083 -0.0007 0.0048 3194 THR 54 OG1 0.0088 -0.0029 0.0051 3195 THR 54 CG2 0.0101 0.0007 0.0042 3196 VAL 55 N 0.0057 0.0037 0.0045 3197 VAL 55 CA 0.0053 0.0060 0.0041 3198 VAL 55 C 0.0073 0.0071 0.0035 3199 VAL 55 O 0.0080 0.0066 0.0035 3200 VAL 55 CB 0.0033 0.0068 0.0044 3201 VAL 55 CG1 0.0030 0.0093 0.0040 3202 VAL 55 CG2 0.0013 0.0058 0.0050 3203 ALA 56 N 0.0081 0.0086 0.0031 3204 ALA 56 CA 0.0100 0.0098 0.0025 3205 ALA 56 C 0.0096 0.0122 0.0021 3206 ALA 56 O 0.0094 0.0129 0.0020 3207 ALA 56 CB 0.0120 0.0090 0.0022 3208 GLU 57 N 0.0092 0.0133 0.0002 3209 GLU 57 CA 0.0087 0.0141 -0.0014 3210 GLU 57 C 0.0099 0.0143 -0.0027 3211 GLU 57 O 0.0114 0.0139 -0.0029 3212 GLU 57 CB 0.0087 0.0142 -0.0016 3213 GLU 57 CG 0.0073 0.0142 -0.0005 3214 GLU 57 CD 0.0073 0.0143 -0.0008 3215 GLU 57 OE1 0.0085 0.0143 -0.0018 3216 GLU 57 OE2 0.0062 0.0143 -0.0001 3217 LYS 58 N 0.0093 0.0148 -0.0035 3218 LYS 58 CA 0.0104 0.0149 -0.0046 3219 LYS 58 C 0.0097 0.0158 -0.0062 3220 LYS 58 O 0.0084 0.0163 -0.0063 3221 LYS 58 CB 0.0106 0.0146 -0.0039 3222 LYS 58 CG 0.0116 0.0136 -0.0024 3223 LYS 58 CD 0.0118 0.0133 -0.0018 3224 LYS 58 CE 0.0128 0.0124 -0.0003 3225 LYS 58 NZ 0.0130 0.0120 0.0003 3226 THR 59 N 0.0105 0.0161 -0.0074 3227 THR 59 CA 0.0098 0.0170 -0.0090 3228 THR 59 C 0.0100 0.0173 -0.0098 3229 THR 59 O 0.0089 0.0180 -0.0106 3230 THR 59 CB 0.0107 0.0172 -0.0100 3231 THR 59 OG1 0.0106 0.0168 -0.0091 3232 THR 59 CG2 0.0099 0.0181 -0.0116 3233 LYS 60 N 0.0113 0.0168 -0.0096 3234 LYS 60 CA 0.0114 0.0171 -0.0102 3235 LYS 60 C 0.0124 0.0163 -0.0092 3236 LYS 60 O 0.0138 0.0158 -0.0091 3237 LYS 60 CB 0.0122 0.0176 -0.0120 3238 LYS 60 CG 0.0122 0.0179 -0.0129 3239 LYS 60 CD 0.0128 0.0185 -0.0146 3240 LYS 60 CE 0.0128 0.0189 -0.0155 3241 LYS 60 NZ 0.0135 0.0194 -0.0172 3242 GLU 61 N 0.0092 0.0135 -0.0073 3243 GLU 61 CA 0.0089 0.0143 -0.0058 3244 GLU 61 C 0.0080 0.0135 -0.0045 3245 GLU 61 O 0.0074 0.0122 -0.0044 3246 GLU 61 CB 0.0090 0.0145 -0.0058 3247 GLU 61 CG 0.0088 0.0153 -0.0042 3248 GLU 61 CD 0.0089 0.0155 -0.0043 3249 GLU 61 OE1 0.0091 0.0149 -0.0055 3250 GLU 61 OE2 0.0087 0.0162 -0.0030 3251 GLN 62 N 0.0080 0.0143 -0.0034 3252 GLN 62 CA 0.0071 0.0135 -0.0021 3253 GLN 62 C 0.0069 0.0146 -0.0005 3254 GLN 62 O 0.0075 0.0159 -0.0003 3255 GLN 62 CB 0.0071 0.0133 -0.0024 3256 GLN 62 CG 0.0063 0.0125 -0.0012 3257 GLN 62 CD 0.0063 0.0122 -0.0016 3258 GLN 62 OE1 0.0070 0.0127 -0.0028 3259 GLN 62 NE2 0.0056 0.0115 -0.0006 3260 VAL 63 N 0.0062 0.0139 0.0005 3261 VAL 63 CA 0.0060 0.0147 0.0021 3262 VAL 63 C 0.0050 0.0137 0.0033 3263 VAL 63 O 0.0044 0.0126 0.0036 3264 VAL 63 CB 0.0060 0.0151 0.0024 3265 VAL 63 CG1 0.0057 0.0159 0.0041 3266 VAL 63 CG2 0.0070 0.0161 0.0012 3267 THR 64 N 0.0049 0.0141 0.0040 3268 THR 64 CA 0.0040 0.0132 0.0052 3269 THR 64 C 0.0039 0.0143 0.0067 3270 THR 64 O 0.0043 0.0152 0.0068 3271 THR 64 CB 0.0039 0.0124 0.0045 3272 THR 64 OG1 0.0045 0.0136 0.0045 3273 THR 64 CG2 0.0042 0.0115 0.0029 3274 ASN 65 N -0.0000 0.0100 0.0086 3275 ASN 65 CA -0.0006 0.0103 0.0086 3276 ASN 65 C 0.0013 0.0099 0.0099 3277 ASN 65 O 0.0032 0.0092 0.0103 3278 ASN 65 CB -0.0015 0.0098 0.0060 3279 ASN 65 CG 0.0004 0.0085 0.0044 3280 ASN 65 OD1 0.0024 0.0079 0.0051 3281 ASN 65 ND2 -0.0003 0.0081 0.0021 3282 VAL 66 N 0.0007 0.0104 0.0106 3283 VAL 66 CA 0.0025 0.0099 0.0114 3284 VAL 66 C 0.0020 0.0096 0.0099 3285 VAL 66 O -0.0000 0.0102 0.0092 3286 VAL 66 CB 0.0027 0.0107 0.0141 3287 VAL 66 CG1 0.0026 0.0112 0.0156 3288 VAL 66 CG2 0.0010 0.0116 0.0148 3289 GLY 67 N 0.0038 0.0086 0.0092 3290 GLY 67 CA 0.0036 0.0083 0.0078 3291 GLY 67 C 0.0023 0.0080 0.0053 3292 GLY 67 O 0.0022 0.0077 0.0041 3293 GLY 68 N 0.0014 0.0081 0.0045 3294 GLY 68 CA -0.0001 0.0081 0.0023 3295 GLY 68 C 0.0006 0.0073 0.0007 3296 GLY 68 O 0.0022 0.0068 0.0014 3297 ALA 69 N -0.0001 0.0051 -0.0013 3298 ALA 69 CA 0.0009 0.0055 -0.0018 3299 ALA 69 C 0.0008 0.0054 -0.0017 3300 ALA 69 O 0.0001 0.0056 -0.0022 3301 ALA 69 CB 0.0009 0.0062 -0.0029 3302 VAL 70 N 0.0017 0.0052 -0.0010 3303 VAL 70 CA 0.0017 0.0050 -0.0008 3304 VAL 70 C 0.0027 0.0055 -0.0013 3305 VAL 70 O 0.0038 0.0056 -0.0011 3306 VAL 70 CB 0.0018 0.0043 0.0004 3307 VAL 70 CG1 0.0019 0.0042 0.0007 3308 VAL 70 CG2 0.0006 0.0039 0.0008 3309 VAL 71 N 0.0025 0.0058 -0.0018 3310 VAL 71 CA 0.0034 0.0062 -0.0022 3311 VAL 71 C 0.0035 0.0058 -0.0016 3312 VAL 71 O 0.0025 0.0057 -0.0016 3313 VAL 71 CB 0.0031 0.0068 -0.0034 3314 VAL 71 CG1 0.0040 0.0072 -0.0038 3315 VAL 71 CG2 0.0031 0.0072 -0.0040 3316 THR 72 N 0.0045 0.0057 -0.0011 3317 THR 72 CA 0.0047 0.0054 -0.0005 3318 THR 72 C 0.0056 0.0058 -0.0009 3319 THR 72 O 0.0067 0.0060 -0.0009 3320 THR 72 CB 0.0050 0.0048 0.0006 3321 THR 72 OG1 0.0062 0.0049 0.0007 3322 THR 72 CG2 0.0041 0.0043 0.0011 3323 GLY 73 N 0.0063 0.0028 0.0001 3324 GLY 73 CA 0.0051 0.0026 0.0003 3325 GLY 73 C 0.0048 0.0019 0.0004 3326 GLY 73 O 0.0043 0.0023 0.0005 3327 VAL 74 N 0.0051 0.0008 0.0004 3328 VAL 74 CA 0.0047 0.0001 0.0005 3329 VAL 74 C 0.0037 -0.0004 0.0007 3330 VAL 74 O 0.0035 -0.0004 0.0008 3331 VAL 74 CB 0.0056 -0.0008 0.0003 3332 VAL 74 CG1 0.0067 -0.0003 0.0000 3333 VAL 74 CG2 0.0056 -0.0017 0.0003 3334 THR 75 N 0.0030 -0.0007 0.0009 3335 THR 75 CA 0.0019 -0.0011 0.0011 3336 THR 75 C 0.0016 -0.0020 0.0012 3337 THR 75 O 0.0018 -0.0019 0.0012 3338 THR 75 CB 0.0011 -0.0001 0.0013 3339 THR 75 OG1 0.0014 0.0007 0.0012 3340 THR 75 CG2 -0.0000 -0.0005 0.0016 3341 ALA 76 N 0.0011 -0.0029 0.0014 3342 ALA 76 CA 0.0006 -0.0038 0.0015 3343 ALA 76 C 0.0014 -0.0044 0.0013 3344 ALA 76 O 0.0012 -0.0046 0.0014 3345 ALA 76 CB -0.0004 -0.0034 0.0017 3346 VAL 77 N 0.0010 -0.0048 0.0007 3347 VAL 77 CA 0.0006 -0.0045 0.0005 3348 VAL 77 C 0.0005 -0.0040 0.0003 3349 VAL 77 O 0.0004 -0.0041 0.0003 3350 VAL 77 CB 0.0000 -0.0048 0.0004 3351 VAL 77 CG1 -0.0003 -0.0045 0.0002 3352 VAL 77 CG2 0.0001 -0.0053 0.0006 3353 ALA 78 N 0.0006 -0.0035 0.0002 3354 ALA 78 CA 0.0005 -0.0030 0.0001 3355 ALA 78 C 0.0003 -0.0026 -0.0001 3356 ALA 78 O 0.0006 -0.0023 -0.0001 3357 ALA 78 CB 0.0011 -0.0028 0.0002 3358 GLN 79 N -0.0002 -0.0024 -0.0003 3359 GLN 79 CA -0.0005 -0.0020 -0.0005 3360 GLN 79 C -0.0006 -0.0016 -0.0006 3361 GLN 79 O -0.0005 -0.0016 -0.0006 3362 GLN 79 CB -0.0010 -0.0022 -0.0006 3363 GLN 79 CG -0.0015 -0.0024 -0.0006 3364 GLN 79 CD -0.0020 -0.0026 -0.0007 3365 GLN 79 OE1 -0.0020 -0.0026 -0.0007 3366 GLN 79 NE2 -0.0024 -0.0027 -0.0008 3367 LYS 80 N -0.0007 -0.0011 -0.0008 3368 LYS 80 CA -0.0009 -0.0006 -0.0010 3369 LYS 80 C -0.0014 -0.0004 -0.0011 3370 LYS 80 O -0.0014 -0.0005 -0.0011 3371 LYS 80 CB -0.0004 -0.0002 -0.0010 3372 LYS 80 CG -0.0006 0.0002 -0.0011 3373 LYS 80 CD -0.0002 0.0007 -0.0012 3374 LYS 80 CE -0.0005 0.0011 -0.0013 3375 LYS 80 NZ -0.0001 0.0016 -0.0014 3376 THR 81 N -0.0018 0.0014 0.0006 3377 THR 81 CA -0.0034 0.0018 0.0010 3378 THR 81 C -0.0035 0.0034 0.0016 3379 THR 81 O -0.0030 0.0038 0.0017 3380 THR 81 CB -0.0044 0.0008 0.0008 3381 THR 81 OG1 -0.0043 -0.0007 0.0002 3382 THR 81 CG2 -0.0060 0.0012 0.0012 3383 VAL 82 N -0.0042 0.0042 0.0020 3384 VAL 82 CA -0.0046 0.0057 0.0026 3385 VAL 82 C -0.0063 0.0057 0.0028 3386 VAL 82 O -0.0072 0.0053 0.0028 3387 VAL 82 CB -0.0041 0.0068 0.0029 3388 VAL 82 CG1 -0.0047 0.0083 0.0035 3389 VAL 82 CG2 -0.0024 0.0069 0.0027 3390 GLU 83 N -0.0067 0.0061 0.0031 3391 GLU 83 CA -0.0083 0.0062 0.0033 3392 GLU 83 C -0.0092 0.0048 0.0029 3393 GLU 83 O -0.0103 0.0046 0.0030 3394 GLU 83 CB -0.0091 0.0074 0.0039 3395 GLU 83 CG -0.0084 0.0090 0.0043 3396 GLU 83 CD -0.0093 0.0102 0.0049 3397 GLU 83 OE1 -0.0103 0.0098 0.0049 3398 GLU 83 OE2 -0.0089 0.0115 0.0053 3399 GLY 84 N -0.0087 0.0037 0.0025 3400 GLY 84 CA -0.0095 0.0023 0.0021 3401 GLY 84 C -0.0087 0.0013 0.0016 3402 GLY 84 O -0.0074 0.0017 0.0016 3403 ALA 85 N -0.0049 0.0017 0.0009 3404 ALA 85 CA -0.0043 0.0012 0.0002 3405 ALA 85 C -0.0043 0.0009 -0.0003 3406 ALA 85 O -0.0051 0.0009 -0.0006 3407 ALA 85 CB -0.0045 0.0009 -0.0003 3408 GLY 86 N -0.0035 0.0005 -0.0005 3409 GLY 86 CA -0.0035 0.0002 -0.0010 3410 GLY 86 C -0.0030 -0.0004 -0.0017 3411 GLY 86 O -0.0021 -0.0005 -0.0015 3412 SER 87 N -0.0034 -0.0008 -0.0024 3413 SER 87 CA -0.0030 -0.0014 -0.0032 3414 SER 87 C -0.0031 -0.0016 -0.0036 3415 SER 87 O -0.0038 -0.0017 -0.0040 3416 SER 87 CB -0.0034 -0.0016 -0.0037 3417 SER 87 OG -0.0032 -0.0015 -0.0034 3418 ILE 88 N -0.0023 -0.0018 -0.0035 3419 ILE 88 CA -0.0024 -0.0019 -0.0038 3420 ILE 88 C -0.0026 -0.0025 -0.0047 3421 ILE 88 O -0.0033 -0.0025 -0.0050 3422 ILE 88 CB -0.0016 -0.0019 -0.0034 3423 ILE 88 CG1 -0.0016 -0.0013 -0.0025 3424 ILE 88 CG2 -0.0015 -0.0022 -0.0038 3425 ILE 88 CD1 -0.0008 -0.0012 -0.0020 3426 ALA 89 N 0.0008 0.0059 -0.0059 3427 ALA 89 CA 0.0007 0.0054 -0.0050 3428 ALA 89 C -0.0005 0.0045 -0.0064 3429 ALA 89 O -0.0016 0.0029 -0.0062 3430 ALA 89 CB 0.0004 0.0043 -0.0029 3431 ALA 90 N -0.0002 0.0055 -0.0080 3432 ALA 90 CA -0.0012 0.0048 -0.0095 3433 ALA 90 C -0.0009 0.0050 -0.0092 3434 ALA 90 O 0.0002 0.0062 -0.0083 3435 ALA 90 CB -0.0011 0.0058 -0.0117 3436 ALA 91 N -0.0020 0.0039 -0.0098 3437 ALA 91 CA -0.0019 0.0038 -0.0095 3438 ALA 91 C -0.0030 0.0030 -0.0112 3439 ALA 91 O -0.0042 0.0016 -0.0114 3440 ALA 91 CB -0.0020 0.0028 -0.0074 3441 THR 92 N -0.0027 0.0040 -0.0124 3442 THR 92 CA -0.0036 0.0034 -0.0140 3443 THR 92 C -0.0034 0.0035 -0.0136 3444 THR 92 O -0.0023 0.0047 -0.0128 3445 THR 92 CB -0.0035 0.0044 -0.0161 3446 THR 92 OG1 -0.0022 0.0061 -0.0163 3447 THR 92 CG2 -0.0035 0.0045 -0.0165 3448 GLY 93 N -0.0114 0.0030 -0.0160 3449 GLY 93 CA -0.0095 0.0031 -0.0102 3450 GLY 93 C -0.0065 0.0017 -0.0087 3451 GLY 93 O -0.0028 0.0003 -0.0054 3452 PHE 94 N -0.0081 0.0021 -0.0110 3453 PHE 94 CA -0.0057 0.0010 -0.0098 3454 PHE 94 C -0.0060 0.0002 -0.0150 3455 PHE 94 O -0.0098 0.0017 -0.0180 3456 PHE 94 CB -0.0082 0.0033 -0.0053 3457 PHE 94 CG -0.0074 0.0039 0.0003 3458 PHE 94 CD1 -0.0033 0.0023 0.0038 3459 PHE 94 CD2 -0.0106 0.0061 0.0021 3460 PHE 94 CE1 -0.0026 0.0029 0.0090 3461 PHE 94 CE2 -0.0098 0.0067 0.0072 3462 PHE 94 CZ -0.0058 0.0051 0.0107 3463 VAL 95 N -0.0020 -0.0023 -0.0160 3464 VAL 95 CA -0.0019 -0.0032 -0.0204 3465 VAL 95 C 0.0008 -0.0042 -0.0179 3466 VAL 95 O 0.0050 -0.0062 -0.0158 3467 VAL 95 CB 0.0006 -0.0056 -0.0253 3468 VAL 95 CG1 0.0011 -0.0067 -0.0294 3469 VAL 95 CG2 -0.0023 -0.0045 -0.0282 3470 LYS 96 N -0.0017 -0.0029 -0.0182 3471 LYS 96 CA 0.0004 -0.0036 -0.0159 3472 LYS 96 C 0.0004 -0.0045 -0.0204 3473 LYS 96 O -0.0014 -0.0044 -0.0251 3474 LYS 96 CB -0.0024 -0.0011 -0.0112 3475 LYS 96 CG -0.0021 -0.0003 -0.0062 3476 LYS 96 CD 0.0029 -0.0025 -0.0029 3477 LYS 96 CE 0.0032 -0.0017 0.0020 3478 LYS 96 NZ 0.0001 0.0009 0.0063 3479 LYS 97 N 0.0032 -0.0169 -0.0166 3480 LYS 97 CA 0.0025 -0.0152 -0.0159 3481 LYS 97 C 0.0005 -0.0152 -0.0139 3482 LYS 97 O -0.0003 -0.0171 -0.0131 3483 LYS 97 CB 0.0031 -0.0159 -0.0165 3484 LYS 97 CG 0.0026 -0.0142 -0.0160 3485 LYS 97 CD 0.0035 -0.0117 -0.0169 3486 LYS 97 CE 0.0029 -0.0099 -0.0163 3487 LYS 97 NZ 0.0035 -0.0109 -0.0169 3488 ASP 98 N -0.0003 -0.0131 -0.0131 3489 ASP 98 CA -0.0023 -0.0128 -0.0112 3490 ASP 98 C -0.0027 -0.0112 -0.0108 3491 ASP 98 O -0.0015 -0.0104 -0.0120 3492 ASP 98 CB -0.0030 -0.0118 -0.0105 3493 ASP 98 CG -0.0050 -0.0123 -0.0085 3494 ASP 98 OD1 -0.0058 -0.0134 -0.0077 3495 ASP 98 OD2 -0.0057 -0.0116 -0.0078 3496 GLN 99 N -0.0044 -0.0107 -0.0091 3497 GLN 99 CA -0.0050 -0.0090 -0.0085 3498 GLN 99 C -0.0044 -0.0063 -0.0091 3499 GLN 99 O -0.0036 -0.0052 -0.0098 3500 GLN 99 CB -0.0070 -0.0091 -0.0065 3501 GLN 99 CG -0.0077 -0.0076 -0.0058 3502 GLN 99 CD -0.0097 -0.0078 -0.0038 3503 GLN 99 OE1 -0.0106 -0.0090 -0.0029 3504 GLN 99 NE2 -0.0105 -0.0065 -0.0031 3505 VAL 37 N -0.0052 -0.0008 0.0022 3506 VAL 37 CA -0.0051 -0.0005 0.0019 3507 VAL 37 C -0.0041 -0.0003 0.0016 3508 VAL 37 O -0.0037 -0.0002 0.0015 3509 VAL 37 CB -0.0052 -0.0010 0.0023 3510 VAL 37 CG1 -0.0062 -0.0010 0.0024 3511 VAL 37 CG2 -0.0049 -0.0016 0.0030 3512 LEU 38 N -0.0039 -0.0002 0.0015 3513 LEU 38 CA -0.0030 -0.0000 0.0013 3514 LEU 38 C -0.0029 0.0006 0.0006 3515 LEU 38 O -0.0023 0.0008 0.0004 3516 LEU 38 CB -0.0028 -0.0001 0.0013 3517 LEU 38 CG -0.0024 -0.0006 0.0019 3518 LEU 38 CD1 -0.0014 -0.0008 0.0020 3519 LEU 38 CD2 -0.0029 -0.0012 0.0025 3520 TYR 39 N -0.0035 0.0011 0.0002 3521 TYR 39 CA -0.0036 0.0017 -0.0004 3522 TYR 39 C -0.0027 0.0020 -0.0008 3523 TYR 39 O -0.0022 0.0022 -0.0010 3524 TYR 39 CB -0.0037 0.0018 -0.0005 3525 TYR 39 CG -0.0046 0.0016 -0.0003 3526 TYR 39 CD1 -0.0053 0.0020 -0.0006 3527 TYR 39 CD2 -0.0048 0.0010 0.0003 3528 TYR 39 CE1 -0.0062 0.0018 -0.0004 3529 TYR 39 CE2 -0.0056 0.0009 0.0005 3530 TYR 39 CZ -0.0063 0.0013 0.0001 3531 TYR 39 OH -0.0071 0.0011 0.0003 3532 VAL 40 N -0.0026 0.0021 -0.0009 3533 VAL 40 CA -0.0019 0.0024 -0.0012 3534 VAL 40 C -0.0020 0.0031 -0.0019 3535 VAL 40 O -0.0014 0.0034 -0.0023 3536 VAL 40 CB -0.0017 0.0022 -0.0010 3537 VAL 40 CG1 -0.0009 0.0026 -0.0014 3538 VAL 40 CG2 -0.0015 0.0015 -0.0004 3539 GLY 41 N -0.0028 0.0037 -0.0026 3540 GLY 41 CA -0.0027 0.0034 -0.0027 3541 GLY 41 C -0.0024 0.0034 -0.0024 3542 GLY 41 O -0.0025 0.0035 -0.0024 3543 SER 42 N -0.0021 0.0033 -0.0021 3544 SER 42 CA -0.0018 0.0033 -0.0018 3545 SER 42 C -0.0017 0.0030 -0.0018 3546 SER 42 O -0.0016 0.0032 -0.0017 3547 SER 42 CB -0.0015 0.0032 -0.0015 3548 SER 42 OG -0.0012 0.0033 -0.0011 3549 LYS 43 N -0.0016 0.0026 -0.0021 3550 LYS 43 CA -0.0016 0.0023 -0.0023 3551 LYS 43 C -0.0017 0.0020 -0.0026 3552 LYS 43 O -0.0016 0.0017 -0.0026 3553 LYS 43 CB -0.0012 0.0021 -0.0020 3554 LYS 43 CG -0.0012 0.0019 -0.0021 3555 LYS 43 CD -0.0008 0.0017 -0.0018 3556 LYS 43 CE -0.0008 0.0015 -0.0019 3557 LYS 43 NZ -0.0009 0.0011 -0.0023 3558 THR 44 N -0.0020 0.0020 -0.0030 3559 THR 44 CA -0.0021 0.0016 -0.0033 3560 THR 44 C -0.0021 0.0014 -0.0035 3561 THR 44 O -0.0022 0.0016 -0.0034 3562 THR 44 CB -0.0025 0.0018 -0.0036 3563 THR 44 OG1 -0.0028 0.0021 -0.0037 3564 THR 44 CG2 -0.0025 0.0020 -0.0035 3565 LYS 45 N -0.0005 0.0002 -0.0030 3566 LYS 45 CA -0.0003 -0.0003 -0.0025 3567 LYS 45 C -0.0010 -0.0007 -0.0023 3568 LYS 45 O -0.0014 -0.0010 -0.0021 3569 LYS 45 CB 0.0001 -0.0005 -0.0021 3570 LYS 45 CG 0.0004 -0.0010 -0.0016 3571 LYS 45 CD 0.0010 -0.0012 -0.0013 3572 LYS 45 CE 0.0013 -0.0017 -0.0007 3573 LYS 45 NZ 0.0019 -0.0018 -0.0004 3574 GLU 46 N -0.0013 -0.0008 -0.0023 3575 GLU 46 CA -0.0020 -0.0011 -0.0022 3576 GLU 46 C -0.0020 -0.0014 -0.0019 3577 GLU 46 O -0.0018 -0.0012 -0.0020 3578 GLU 46 CB -0.0025 -0.0006 -0.0028 3579 GLU 46 CG -0.0022 -0.0001 -0.0032 3580 GLU 46 CD -0.0026 0.0003 -0.0037 3581 GLU 46 OE1 -0.0031 0.0003 -0.0038 3582 GLU 46 OE2 -0.0025 0.0007 -0.0041 3583 GLY 47 N -0.0023 -0.0020 -0.0015 3584 GLY 47 CA -0.0023 -0.0024 -0.0011 3585 GLY 47 C -0.0016 -0.0026 -0.0007 3586 GLY 47 O -0.0014 -0.0027 -0.0006 3587 VAL 48 N -0.0014 -0.0027 -0.0005 3588 VAL 48 CA -0.0006 -0.0029 -0.0002 3589 VAL 48 C -0.0007 -0.0034 0.0003 3590 VAL 48 O -0.0011 -0.0036 0.0004 3591 VAL 48 CB -0.0001 -0.0024 -0.0004 3592 VAL 48 CG1 0.0006 -0.0025 -0.0001 3593 VAL 48 CG2 -0.0001 -0.0018 -0.0010 3594 VAL 49 N 0.0020 -0.0065 0.0004 3595 VAL 49 CA 0.0017 -0.0065 0.0010 3596 VAL 49 C 0.0019 -0.0063 0.0014 3597 VAL 49 O 0.0024 -0.0060 0.0015 3598 VAL 49 CB 0.0019 -0.0064 0.0012 3599 VAL 49 CG1 0.0017 -0.0063 0.0019 3600 VAL 49 CG2 0.0016 -0.0066 0.0009 3601 HIS 50 N 0.0015 -0.0065 0.0018 3602 HIS 50 CA 0.0016 -0.0062 0.0022 3603 HIS 50 C 0.0012 -0.0064 0.0029 3604 HIS 50 O 0.0008 -0.0067 0.0029 3605 HIS 50 CB 0.0017 -0.0063 0.0019 3606 HIS 50 CG 0.0013 -0.0067 0.0017 3607 HIS 50 ND1 0.0009 -0.0068 0.0021 3608 HIS 50 CD2 0.0011 -0.0069 0.0012 3609 HIS 50 CE1 0.0006 -0.0071 0.0018 3610 HIS 50 NE2 0.0006 -0.0072 0.0012 3611 GLY 51 N 0.0015 -0.0061 0.0034 3612 GLY 51 CA 0.0011 -0.0061 0.0040 3613 GLY 51 C 0.0009 -0.0062 0.0043 3614 GLY 51 O 0.0004 -0.0065 0.0044 3615 VAL 52 N 0.0012 -0.0059 0.0044 3616 VAL 52 CA 0.0011 -0.0060 0.0047 3617 VAL 52 C 0.0013 -0.0057 0.0053 3618 VAL 52 O 0.0017 -0.0053 0.0054 3619 VAL 52 CB 0.0013 -0.0059 0.0042 3620 VAL 52 CG1 0.0012 -0.0059 0.0045 3621 VAL 52 CG2 0.0011 -0.0063 0.0036 3622 ALA 53 N 0.0021 -0.0048 0.0072 3623 ALA 53 CA 0.0015 -0.0030 0.0068 3624 ALA 53 C 0.0029 -0.0019 0.0061 3625 ALA 53 O 0.0038 -0.0024 0.0060 3626 ALA 53 CB -0.0002 -0.0026 0.0070 3627 THR 54 N 0.0031 -0.0004 0.0055 3628 THR 54 CA 0.0046 0.0007 0.0048 3629 THR 54 C 0.0040 0.0026 0.0043 3630 THR 54 O 0.0033 0.0030 0.0043 3631 THR 54 CB 0.0062 0.0002 0.0046 3632 THR 54 OG1 0.0068 -0.0016 0.0051 3633 THR 54 CG2 0.0077 0.0013 0.0039 3634 VAL 55 N 0.0042 0.0036 0.0039 3635 VAL 55 CA 0.0038 0.0055 0.0034 3636 VAL 55 C 0.0055 0.0064 0.0027 3637 VAL 55 O 0.0063 0.0059 0.0027 3638 VAL 55 CB 0.0023 0.0061 0.0035 3639 VAL 55 CG1 0.0020 0.0080 0.0029 3640 VAL 55 CG2 0.0006 0.0053 0.0042 3641 ALA 56 N 0.0060 0.0076 0.0022 3642 ALA 56 CA 0.0076 0.0085 0.0015 3643 ALA 56 C 0.0071 0.0104 0.0010 3644 ALA 56 O 0.0067 0.0110 0.0009 3645 ALA 56 CB 0.0091 0.0079 0.0014 3646 GLU 57 N 0.0063 0.0112 -0.0015 3647 GLU 57 CA 0.0060 0.0119 -0.0025 3648 GLU 57 C 0.0069 0.0121 -0.0032 3649 GLU 57 O 0.0078 0.0120 -0.0034 3650 GLU 57 CB 0.0058 0.0121 -0.0026 3651 GLU 57 CG 0.0048 0.0119 -0.0020 3652 GLU 57 CD 0.0047 0.0121 -0.0022 3653 GLU 57 OE1 0.0054 0.0123 -0.0028 3654 GLU 57 OE2 0.0038 0.0121 -0.0017 3655 LYS 58 N 0.0066 0.0125 -0.0037 3656 LYS 58 CA 0.0074 0.0127 -0.0044 3657 LYS 58 C 0.0070 0.0134 -0.0054 3658 LYS 58 O 0.0062 0.0136 -0.0055 3659 LYS 58 CB 0.0077 0.0123 -0.0039 3660 LYS 58 CG 0.0083 0.0116 -0.0030 3661 LYS 58 CD 0.0086 0.0113 -0.0026 3662 LYS 58 CE 0.0092 0.0106 -0.0017 3663 LYS 58 NZ 0.0095 0.0103 -0.0013 3664 THR 59 N 0.0075 0.0137 -0.0062 3665 THR 59 CA 0.0070 0.0144 -0.0072 3666 THR 59 C 0.0073 0.0146 -0.0077 3667 THR 59 O 0.0066 0.0151 -0.0082 3668 THR 59 CB 0.0076 0.0146 -0.0079 3669 THR 59 OG1 0.0073 0.0144 -0.0073 3670 THR 59 CG2 0.0070 0.0154 -0.0088 3671 LYS 60 N 0.0082 0.0143 -0.0075 3672 LYS 60 CA 0.0085 0.0144 -0.0079 3673 LYS 60 C 0.0092 0.0138 -0.0073 3674 LYS 60 O 0.0102 0.0135 -0.0072 3675 LYS 60 CB 0.0091 0.0149 -0.0090 3676 LYS 60 CG 0.0092 0.0152 -0.0095 3677 LYS 60 CD 0.0097 0.0157 -0.0107 3678 LYS 60 CE 0.0098 0.0160 -0.0112 3679 LYS 60 NZ 0.0103 0.0165 -0.0123 3680 GLU 61 N 0.0076 0.0104 -0.0058 3681 GLU 61 CA 0.0076 0.0108 -0.0046 3682 GLU 61 C 0.0072 0.0101 -0.0033 3683 GLU 61 O 0.0069 0.0089 -0.0032 3684 GLU 61 CB 0.0076 0.0106 -0.0048 3685 GLU 61 CG 0.0075 0.0111 -0.0036 3686 GLU 61 CD 0.0075 0.0109 -0.0039 3687 GLU 61 OE1 0.0075 0.0104 -0.0050 3688 GLU 61 OE2 0.0075 0.0113 -0.0029 3689 GLN 62 N 0.0073 0.0109 -0.0023 3690 GLN 62 CA 0.0069 0.0103 -0.0011 3691 GLN 62 C 0.0069 0.0110 0.0002 3692 GLN 62 O 0.0072 0.0122 0.0004 3693 GLN 62 CB 0.0070 0.0105 -0.0011 3694 GLN 62 CG 0.0067 0.0098 0.0001 3695 GLN 62 CD 0.0067 0.0099 -0.0000 3696 GLN 62 OE1 0.0070 0.0105 -0.0010 3697 GLN 62 NE2 0.0064 0.0094 0.0010 3698 VAL 63 N 0.0066 0.0102 0.0011 3699 VAL 63 CA 0.0066 0.0107 0.0023 3700 VAL 63 C 0.0062 0.0098 0.0035 3701 VAL 63 O 0.0058 0.0087 0.0037 3702 VAL 63 CB 0.0066 0.0106 0.0023 3703 VAL 63 CG1 0.0065 0.0112 0.0037 3704 VAL 63 CG2 0.0069 0.0115 0.0011 3705 THR 64 N 0.0062 0.0104 0.0043 3706 THR 64 CA 0.0058 0.0096 0.0054 3707 THR 64 C 0.0059 0.0105 0.0067 3708 THR 64 O 0.0061 0.0115 0.0069 3709 THR 64 CB 0.0058 0.0093 0.0051 3710 THR 64 OG1 0.0061 0.0105 0.0052 3711 THR 64 CG2 0.0058 0.0086 0.0037 3712 ASN 65 N 0.0035 0.0062 0.0077 3713 ASN 65 CA 0.0032 0.0062 0.0075 3714 ASN 65 C 0.0049 0.0061 0.0081 3715 ASN 65 O 0.0063 0.0059 0.0084 3716 ASN 65 CB 0.0026 0.0054 0.0056 3717 ASN 65 CG 0.0041 0.0045 0.0044 3718 ASN 65 OD1 0.0056 0.0043 0.0048 3719 ASN 65 ND2 0.0034 0.0039 0.0029 3720 VAL 66 N 0.0047 0.0063 0.0084 3721 VAL 66 CA 0.0063 0.0061 0.0087 3722 VAL 66 C 0.0061 0.0055 0.0075 3723 VAL 66 O 0.0046 0.0056 0.0070 3724 VAL 66 CB 0.0066 0.0069 0.0105 3725 VAL 66 CG1 0.0064 0.0075 0.0118 3726 VAL 66 CG2 0.0055 0.0073 0.0109 3727 GLY 67 N 0.0075 0.0048 0.0069 3728 GLY 67 CA 0.0076 0.0043 0.0057 3729 GLY 67 C 0.0065 0.0037 0.0041 3730 GLY 67 O 0.0065 0.0032 0.0030 3731 GLY 68 N 0.0056 0.0038 0.0037 3732 GLY 68 CA 0.0043 0.0034 0.0023 3733 GLY 68 C 0.0046 0.0029 0.0014 3734 GLY 68 O 0.0057 0.0028 0.0019 3735 ALA 69 N 0.0044 0.0026 0.0001 3736 ALA 69 CA 0.0048 0.0027 -0.0002 3737 ALA 69 C 0.0046 0.0027 -0.0002 3738 ALA 69 O 0.0041 0.0027 -0.0005 3739 ALA 69 CB 0.0049 0.0029 -0.0008 3740 VAL 70 N 0.0049 0.0026 0.0002 3741 VAL 70 CA 0.0047 0.0026 0.0003 3742 VAL 70 C 0.0052 0.0027 -0.0001 3743 VAL 70 O 0.0058 0.0027 0.0000 3744 VAL 70 CB 0.0047 0.0024 0.0010 3745 VAL 70 CG1 0.0046 0.0023 0.0011 3746 VAL 70 CG2 0.0042 0.0023 0.0013 3747 VAL 71 N 0.0049 0.0027 -0.0004 3748 VAL 71 CA 0.0053 0.0029 -0.0007 3749 VAL 71 C 0.0051 0.0028 -0.0004 3750 VAL 71 O 0.0045 0.0027 -0.0004 3751 VAL 71 CB 0.0051 0.0030 -0.0014 3752 VAL 71 CG1 0.0054 0.0031 -0.0017 3753 VAL 71 CG2 0.0053 0.0031 -0.0017 3754 THR 72 N 0.0056 0.0027 -0.0002 3755 THR 72 CA 0.0055 0.0027 0.0002 3756 THR 72 C 0.0059 0.0028 -0.0001 3757 THR 72 O 0.0064 0.0028 -0.0001 3758 THR 72 CB 0.0057 0.0025 0.0009 3759 THR 72 OG1 0.0063 0.0026 0.0009 3760 THR 72 CG2 0.0053 0.0024 0.0012 3761 GLY 73 N 0.0057 0.0011 0.0010 3762 GLY 73 CA 0.0049 0.0009 0.0013 3763 GLY 73 C 0.0047 0.0005 0.0014 3764 GLY 73 O 0.0043 0.0008 0.0015 3765 VAL 74 N 0.0049 -0.0002 0.0014 3766 VAL 74 CA 0.0046 -0.0007 0.0015 3767 VAL 74 C 0.0039 -0.0011 0.0017 3768 VAL 74 O 0.0038 -0.0012 0.0017 3769 VAL 74 CB 0.0052 -0.0013 0.0013 3770 VAL 74 CG1 0.0060 -0.0009 0.0011 3771 VAL 74 CG2 0.0053 -0.0020 0.0013 3772 THR 75 N 0.0035 -0.0013 0.0019 3773 THR 75 CA 0.0027 -0.0016 0.0021 3774 THR 75 C 0.0025 -0.0022 0.0022 3775 THR 75 O 0.0026 -0.0020 0.0022 3776 THR 75 CB 0.0022 -0.0009 0.0022 3777 THR 75 OG1 0.0024 -0.0003 0.0021 3778 THR 75 CG2 0.0014 -0.0012 0.0025 3779 ALA 76 N 0.0022 -0.0028 0.0023 3780 ALA 76 CA 0.0018 -0.0034 0.0025 3781 ALA 76 C 0.0024 -0.0037 0.0023 3782 ALA 76 O 0.0022 -0.0038 0.0024 3783 ALA 76 CB 0.0012 -0.0031 0.0027 3784 VAL 77 N 0.0018 -0.0041 0.0016 3785 VAL 77 CA 0.0014 -0.0038 0.0016 3786 VAL 77 C 0.0013 -0.0032 0.0013 3787 VAL 77 O 0.0010 -0.0031 0.0013 3788 VAL 77 CB 0.0008 -0.0042 0.0018 3789 VAL 77 CG1 0.0005 -0.0039 0.0017 3790 VAL 77 CG2 0.0010 -0.0048 0.0020 3791 ALA 78 N 0.0014 -0.0028 0.0011 3792 ALA 78 CA 0.0013 -0.0022 0.0008 3793 ALA 78 C 0.0011 -0.0019 0.0007 3794 ALA 78 O 0.0015 -0.0017 0.0006 3795 ALA 78 CB 0.0019 -0.0020 0.0007 3796 GLN 79 N 0.0005 -0.0017 0.0006 3797 GLN 79 CA 0.0003 -0.0013 0.0005 3798 GLN 79 C 0.0001 -0.0007 0.0002 3799 GLN 79 O 0.0001 -0.0006 0.0002 3800 GLN 79 CB -0.0002 -0.0015 0.0007 3801 GLN 79 CG -0.0008 -0.0016 0.0007 3802 GLN 79 CD -0.0014 -0.0018 0.0009 3803 GLN 79 OE1 -0.0013 -0.0020 0.0009 3804 GLN 79 NE2 -0.0019 -0.0018 0.0009 3805 LYS 80 N 0.0001 -0.0003 0.0001 3806 LYS 80 CA -0.0002 0.0003 -0.0002 3807 LYS 80 C -0.0007 0.0004 -0.0002 3808 LYS 80 O -0.0006 0.0002 -0.0001 3809 LYS 80 CB 0.0003 0.0007 -0.0004 3810 LYS 80 CG 0.0000 0.0013 -0.0007 3811 LYS 80 CD 0.0005 0.0018 -0.0009 3812 LYS 80 CE 0.0001 0.0023 -0.0011 3813 LYS 80 NZ 0.0005 0.0028 -0.0014 3814 THR 81 N -0.0013 0.0018 0.0014 3815 THR 81 CA -0.0028 0.0021 0.0018 3816 THR 81 C -0.0031 0.0038 0.0020 3817 THR 81 O -0.0028 0.0043 0.0020 3818 THR 81 CB -0.0039 0.0011 0.0019 3819 THR 81 OG1 -0.0036 -0.0004 0.0016 3820 THR 81 CG2 -0.0054 0.0015 0.0022 3821 VAL 82 N -0.0035 0.0046 0.0022 3822 VAL 82 CA -0.0040 0.0061 0.0025 3823 VAL 82 C -0.0057 0.0061 0.0029 3824 VAL 82 O -0.0064 0.0056 0.0030 3825 VAL 82 CB -0.0034 0.0072 0.0026 3826 VAL 82 CG1 -0.0041 0.0087 0.0029 3827 VAL 82 CG2 -0.0017 0.0073 0.0022 3828 GLU 83 N -0.0064 0.0066 0.0031 3829 GLU 83 CA -0.0080 0.0066 0.0034 3830 GLU 83 C -0.0088 0.0051 0.0034 3831 GLU 83 O -0.0096 0.0048 0.0036 3832 GLU 83 CB -0.0087 0.0078 0.0037 3833 GLU 83 CG -0.0081 0.0094 0.0038 3834 GLU 83 CD -0.0088 0.0105 0.0041 3835 GLU 83 OE1 -0.0097 0.0101 0.0042 3836 GLU 83 OE2 -0.0086 0.0119 0.0042 3837 GLY 84 N -0.0084 0.0041 0.0032 3838 GLY 84 CA -0.0092 0.0026 0.0032 3839 GLY 84 C -0.0086 0.0017 0.0029 3840 GLY 84 O -0.0075 0.0022 0.0028 3841 ALA 85 N -0.0046 0.0021 0.0022 3842 ALA 85 CA -0.0040 0.0014 0.0018 3843 ALA 85 C -0.0039 0.0008 0.0013 3844 ALA 85 O -0.0045 0.0007 0.0011 3845 ALA 85 CB -0.0046 0.0011 0.0014 3846 GLY 86 N -0.0030 0.0005 0.0011 3847 GLY 86 CA -0.0027 -0.0001 0.0007 3848 GLY 86 C -0.0022 -0.0009 0.0002 3849 GLY 86 O -0.0014 -0.0009 0.0002 3850 SER 87 N -0.0027 -0.0015 -0.0004 3851 SER 87 CA -0.0023 -0.0023 -0.0009 3852 SER 87 C -0.0022 -0.0028 -0.0013 3853 SER 87 O -0.0029 -0.0031 -0.0016 3854 SER 87 CB -0.0030 -0.0027 -0.0013 3855 SER 87 OG -0.0031 -0.0023 -0.0010 3856 ILE 88 N -0.0012 -0.0030 -0.0013 3857 ILE 88 CA -0.0010 -0.0033 -0.0016 3858 ILE 88 C -0.0012 -0.0042 -0.0023 3859 ILE 88 O -0.0018 -0.0044 -0.0025 3860 ILE 88 CB 0.0001 -0.0032 -0.0013 3861 ILE 88 CG1 0.0001 -0.0023 -0.0006 3862 ILE 88 CG2 0.0004 -0.0037 -0.0017 3863 ILE 88 CD1 0.0011 -0.0020 -0.0003 3864 ALA 89 N 0.0021 -0.0008 -0.0034 3865 ALA 89 CA 0.0022 -0.0006 -0.0032 3866 ALA 89 C 0.0022 -0.0010 -0.0040 3867 ALA 89 O 0.0018 -0.0018 -0.0039 3868 ALA 89 CB 0.0018 -0.0009 -0.0022 3869 ALA 90 N 0.0026 -0.0005 -0.0048 3870 ALA 90 CA 0.0027 -0.0009 -0.0057 3871 ALA 90 C 0.0030 -0.0003 -0.0057 3872 ALA 90 O 0.0033 0.0005 -0.0053 3873 ALA 90 CB 0.0030 -0.0008 -0.0066 3874 ALA 91 N 0.0029 -0.0007 -0.0061 3875 ALA 91 CA 0.0031 -0.0003 -0.0062 3876 ALA 91 C 0.0031 -0.0007 -0.0071 3877 ALA 91 O 0.0028 -0.0015 -0.0072 3878 ALA 91 CB 0.0028 -0.0004 -0.0052 3879 THR 92 N 0.0036 -0.0001 -0.0078 3880 THR 92 CA 0.0037 -0.0005 -0.0087 3881 THR 92 C 0.0039 0.0001 -0.0087 3882 THR 92 O 0.0042 0.0009 -0.0083 3883 THR 92 CB 0.0040 -0.0003 -0.0096 3884 THR 92 OG1 0.0045 0.0006 -0.0097 3885 THR 92 CG2 0.0037 -0.0008 -0.0096 3886 GLY 93 N 0.0002 -0.0050 -0.0104 3887 GLY 93 CA 0.0022 -0.0031 -0.0080 3888 GLY 93 C 0.0056 -0.0043 -0.0071 3889 GLY 93 O 0.0078 -0.0040 -0.0057 3890 PHE 94 N 0.0060 -0.0056 -0.0079 3891 PHE 94 CA 0.0091 -0.0068 -0.0071 3892 PHE 94 C 0.0092 -0.0095 -0.0092 3893 PHE 94 O 0.0069 -0.0097 -0.0105 3894 PHE 94 CB 0.0098 -0.0046 -0.0052 3895 PHE 94 CG 0.0104 -0.0021 -0.0029 3896 PHE 94 CD1 0.0134 -0.0021 -0.0013 3897 PHE 94 CD2 0.0079 0.0004 -0.0023 3898 PHE 94 CE1 0.0139 0.0003 0.0008 3899 PHE 94 CE2 0.0084 0.0027 -0.0002 3900 PHE 94 CZ 0.0114 0.0027 0.0014 3901 VAL 95 N 0.0118 -0.0116 -0.0095 3902 VAL 95 CA 0.0124 -0.0142 -0.0112 3903 VAL 95 C 0.0158 -0.0149 -0.0099 3904 VAL 95 O 0.0181 -0.0152 -0.0090 3905 VAL 95 CB 0.0120 -0.0168 -0.0134 3906 VAL 95 CG1 0.0131 -0.0195 -0.0149 3907 VAL 95 CG2 0.0086 -0.0163 -0.0148 3908 LYS 96 N 0.0162 -0.0151 -0.0099 3909 LYS 96 CA 0.0193 -0.0157 -0.0087 3910 LYS 96 C 0.0200 -0.0183 -0.0104 3911 LYS 96 O 0.0180 -0.0197 -0.0125 3912 LYS 96 CB 0.0195 -0.0131 -0.0066 3913 LYS 96 CG 0.0193 -0.0105 -0.0047 3914 LYS 96 CD 0.0224 -0.0106 -0.0032 3915 LYS 96 CE 0.0221 -0.0080 -0.0013 3916 LYS 96 NZ 0.0221 -0.0055 0.0006 3917 LYS 97 N 0.0227 -0.0370 -0.0066 3918 LYS 97 CA 0.0185 -0.0270 -0.0058 3919 LYS 97 C 0.0073 -0.0278 -0.0059 3920 LYS 97 O 0.0027 -0.0349 -0.0066 3921 LYS 97 CB 0.0211 -0.0217 -0.0053 3922 LYS 97 CG 0.0179 -0.0110 -0.0044 3923 LYS 97 CD 0.0236 -0.0046 -0.0039 3924 LYS 97 CE 0.0201 0.0061 -0.0030 3925 LYS 97 NZ 0.0224 0.0105 -0.0026 3926 ASP 98 N 0.0031 -0.0205 -0.0054 3927 ASP 98 CA -0.0076 -0.0196 -0.0054 3928 ASP 98 C -0.0102 -0.0087 -0.0045 3929 ASP 98 O -0.0038 -0.0026 -0.0039 3930 ASP 98 CB -0.0109 -0.0237 -0.0058 3931 ASP 98 CG -0.0220 -0.0262 -0.0061 3932 ASP 98 OD1 -0.0272 -0.0243 -0.0059 3933 ASP 98 OD2 -0.0253 -0.0300 -0.0064 3934 GLN 99 N -0.0197 -0.0062 -0.0044 3935 GLN 99 CA -0.0233 0.0040 -0.0035 3936 GLN 99 C -0.0193 0.0105 -0.0030 3937 GLN 99 O -0.0154 0.0185 -0.0023 3938 GLN 99 CB -0.0346 0.0042 -0.0036 3939 GLN 99 CG -0.0389 0.0145 -0.0028 3940 GLN 99 CD -0.0502 0.0145 -0.0029 3941 GLN 99 OE1 -0.0548 0.0068 -0.0036 3942 GLN 99 NE2 -0.0546 0.0231 -0.0022 3943 VAL 37 N -0.0063 -0.0026 0.0028 3944 VAL 37 CA -0.0063 -0.0021 0.0025 3945 VAL 37 C -0.0050 -0.0016 0.0022 3946 VAL 37 O -0.0046 -0.0014 0.0021 3947 VAL 37 CB -0.0067 -0.0027 0.0029 3948 VAL 37 CG1 -0.0081 -0.0029 0.0029 3949 VAL 37 CG2 -0.0062 -0.0038 0.0036 3950 LEU 38 N -0.0044 -0.0015 0.0021 3951 LEU 38 CA -0.0031 -0.0011 0.0019 3952 LEU 38 C -0.0031 0.0001 0.0012 3953 LEU 38 O -0.0023 0.0004 0.0010 3954 LEU 38 CB -0.0025 -0.0012 0.0021 3955 LEU 38 CG -0.0018 -0.0022 0.0027 3956 LEU 38 CD1 -0.0006 -0.0023 0.0028 3957 LEU 38 CD2 -0.0026 -0.0032 0.0033 3958 TYR 39 N -0.0038 0.0007 0.0007 3959 TYR 39 CA -0.0040 0.0018 0.0000 3960 TYR 39 C -0.0028 0.0024 -0.0003 3961 TYR 39 O -0.0023 0.0028 -0.0006 3962 TYR 39 CB -0.0045 0.0019 -0.0001 3963 TYR 39 CG -0.0058 0.0016 0.0000 3964 TYR 39 CD1 -0.0068 0.0022 -0.0004 3965 TYR 39 CD2 -0.0061 0.0007 0.0006 3966 TYR 39 CE1 -0.0080 0.0019 -0.0002 3967 TYR 39 CE2 -0.0073 0.0003 0.0008 3968 TYR 39 CZ -0.0083 0.0009 0.0004 3969 TYR 39 OH -0.0095 0.0006 0.0005 3970 VAL 40 N -0.0023 0.0024 -0.0003 3971 VAL 40 CA -0.0012 0.0030 -0.0007 3972 VAL 40 C -0.0015 0.0041 -0.0015 3973 VAL 40 O -0.0007 0.0048 -0.0018 3974 VAL 40 CB -0.0007 0.0026 -0.0004 3975 VAL 40 CG1 0.0005 0.0032 -0.0008 3976 VAL 40 CG2 -0.0004 0.0015 0.0003 3977 GLY 41 N -0.0027 0.0047 -0.0021 3978 GLY 41 CA -0.0027 0.0045 -0.0023 3979 GLY 41 C -0.0024 0.0044 -0.0020 3980 GLY 41 O -0.0025 0.0045 -0.0021 3981 SER 42 N -0.0021 0.0043 -0.0017 3982 SER 42 CA -0.0018 0.0044 -0.0014 3983 SER 42 C -0.0017 0.0042 -0.0015 3984 SER 42 O -0.0017 0.0043 -0.0014 3985 SER 42 CB -0.0015 0.0043 -0.0011 3986 SER 42 OG -0.0012 0.0044 -0.0007 3987 LYS 43 N -0.0016 0.0038 -0.0018 3988 LYS 43 CA -0.0016 0.0036 -0.0021 3989 LYS 43 C -0.0017 0.0032 -0.0025 3990 LYS 43 O -0.0014 0.0030 -0.0025 3991 LYS 43 CB -0.0013 0.0034 -0.0018 3992 LYS 43 CG -0.0012 0.0032 -0.0020 3993 LYS 43 CD -0.0009 0.0030 -0.0018 3994 LYS 43 CE -0.0009 0.0029 -0.0020 3995 LYS 43 NZ -0.0009 0.0025 -0.0024 3996 THR 44 N -0.0020 0.0032 -0.0028 3997 THR 44 CA -0.0020 0.0029 -0.0032 3998 THR 44 C -0.0020 0.0028 -0.0034 3999 THR 44 O -0.0022 0.0030 -0.0033 4000 THR 44 CB -0.0024 0.0031 -0.0035 4001 THR 44 OG1 -0.0027 0.0034 -0.0035 4002 THR 44 CG2 -0.0023 0.0033 -0.0033 4003 LYS 45 N 0.0001 0.0014 -0.0032 4004 LYS 45 CA 0.0004 0.0008 -0.0026 4005 LYS 45 C -0.0004 0.0005 -0.0023 4006 LYS 45 O -0.0008 0.0004 -0.0022 4007 LYS 45 CB 0.0008 0.0007 -0.0024 4008 LYS 45 CG 0.0012 0.0001 -0.0018 4009 LYS 45 CD 0.0017 -0.0000 -0.0017 4010 LYS 45 CE 0.0020 -0.0005 -0.0011 4011 LYS 45 NZ 0.0026 -0.0007 -0.0009 4012 GLU 46 N -0.0006 0.0004 -0.0022 4013 GLU 46 CA -0.0013 0.0002 -0.0020 4014 GLU 46 C -0.0013 -0.0003 -0.0015 4015 GLU 46 O -0.0011 -0.0002 -0.0016 4016 GLU 46 CB -0.0018 0.0006 -0.0025 4017 GLU 46 CG -0.0015 0.0010 -0.0029 4018 GLU 46 CD -0.0020 0.0015 -0.0034 4019 GLU 46 OE1 -0.0025 0.0016 -0.0035 4020 GLU 46 OE2 -0.0018 0.0018 -0.0037 4021 GLY 47 N -0.0016 -0.0007 -0.0011 4022 GLY 47 CA -0.0016 -0.0012 -0.0006 4023 GLY 47 C -0.0009 -0.0015 -0.0003 4024 GLY 47 O -0.0006 -0.0017 -0.0001 4025 VAL 48 N -0.0006 -0.0016 -0.0002 4026 VAL 48 CA 0.0001 -0.0018 0.0001 4027 VAL 48 C 0.0000 -0.0023 0.0006 4028 VAL 48 O -0.0004 -0.0023 0.0006 4029 VAL 48 CB 0.0006 -0.0013 -0.0004 4030 VAL 48 CG1 0.0014 -0.0015 -0.0001 4031 VAL 48 CG2 0.0007 -0.0008 -0.0009 4032 VAL 49 N 0.0026 -0.0050 0.0007 4033 VAL 49 CA 0.0023 -0.0049 0.0014 4034 VAL 49 C 0.0025 -0.0048 0.0016 4035 VAL 49 O 0.0031 -0.0046 0.0016 4036 VAL 49 CB 0.0025 -0.0048 0.0018 4037 VAL 49 CG1 0.0023 -0.0046 0.0024 4038 VAL 49 CG2 0.0022 -0.0049 0.0016 4039 HIS 50 N 0.0021 -0.0049 0.0018 4040 HIS 50 CA 0.0022 -0.0047 0.0021 4041 HIS 50 C 0.0018 -0.0047 0.0026 4042 HIS 50 O 0.0012 -0.0049 0.0026 4043 HIS 50 CB 0.0024 -0.0048 0.0016 4044 HIS 50 CG 0.0018 -0.0051 0.0013 4045 HIS 50 ND1 0.0015 -0.0051 0.0015 4046 HIS 50 CD2 0.0016 -0.0053 0.0008 4047 HIS 50 CE1 0.0010 -0.0054 0.0011 4048 HIS 50 NE2 0.0011 -0.0055 0.0007 4049 GLY 51 N 0.0020 -0.0045 0.0031 4050 GLY 51 CA 0.0017 -0.0045 0.0037 4051 GLY 51 C 0.0014 -0.0045 0.0041 4052 GLY 51 O 0.0008 -0.0046 0.0042 4053 VAL 52 N 0.0018 -0.0043 0.0044 4054 VAL 52 CA 0.0016 -0.0042 0.0048 4055 VAL 52 C 0.0018 -0.0040 0.0055 4056 VAL 52 O 0.0024 -0.0038 0.0055 4057 VAL 52 CB 0.0019 -0.0042 0.0046 4058 VAL 52 CG1 0.0017 -0.0041 0.0050 4059 VAL 52 CG2 0.0016 -0.0044 0.0040 4060 ALA 53 N 0.0017 -0.0030 0.0074 4061 ALA 53 CA 0.0011 -0.0016 0.0068 4062 ALA 53 C 0.0023 -0.0008 0.0060 4063 ALA 53 O 0.0033 -0.0012 0.0060 4064 ALA 53 CB -0.0002 -0.0014 0.0070 4065 THR 54 N 0.0023 0.0004 0.0054 4066 THR 54 CA 0.0035 0.0012 0.0046 4067 THR 54 C 0.0029 0.0027 0.0040 4068 THR 54 O 0.0022 0.0031 0.0040 4069 THR 54 CB 0.0047 0.0009 0.0045 4070 THR 54 OG1 0.0053 -0.0005 0.0051 4071 THR 54 CG2 0.0060 0.0018 0.0038 4072 VAL 55 N 0.0033 0.0035 0.0035 4073 VAL 55 CA 0.0029 0.0050 0.0028 4074 VAL 55 C 0.0043 0.0056 0.0021 4075 VAL 55 O 0.0052 0.0053 0.0021 4076 VAL 55 CB 0.0018 0.0054 0.0029 4077 VAL 55 CG1 0.0014 0.0069 0.0021 4078 VAL 55 CG2 0.0003 0.0048 0.0035 4079 ALA 56 N 0.0045 0.0066 0.0015 4080 ALA 56 CA 0.0058 0.0073 0.0008 4081 ALA 56 C 0.0053 0.0088 0.0001 4082 ALA 56 O 0.0048 0.0093 0.0000 4083 ALA 56 CB 0.0069 0.0069 0.0008 4084 GLU 57 N 0.0047 0.0089 -0.0024 4085 GLU 57 CA 0.0044 0.0095 -0.0031 4086 GLU 57 C 0.0052 0.0098 -0.0036 4087 GLU 57 O 0.0059 0.0098 -0.0037 4088 GLU 57 CB 0.0042 0.0097 -0.0033 4089 GLU 57 CG 0.0033 0.0095 -0.0029 4090 GLU 57 CD 0.0031 0.0097 -0.0032 4091 GLU 57 OE1 0.0036 0.0100 -0.0036 4092 GLU 57 OE2 0.0023 0.0096 -0.0029 4093 LYS 58 N 0.0051 0.0100 -0.0039 4094 LYS 58 CA 0.0058 0.0103 -0.0043 4095 LYS 58 C 0.0055 0.0109 -0.0050 4096 LYS 58 O 0.0050 0.0110 -0.0050 4097 LYS 58 CB 0.0061 0.0099 -0.0039 4098 LYS 58 CG 0.0066 0.0093 -0.0032 4099 LYS 58 CD 0.0069 0.0090 -0.0029 4100 LYS 58 CE 0.0074 0.0084 -0.0022 4101 LYS 58 NZ 0.0077 0.0080 -0.0018 4102 THR 59 N 0.0059 0.0113 -0.0056 4103 THR 59 CA 0.0056 0.0119 -0.0063 4104 THR 59 C 0.0059 0.0120 -0.0066 4105 THR 59 O 0.0054 0.0124 -0.0069 4106 THR 59 CB 0.0059 0.0122 -0.0068 4107 THR 59 OG1 0.0056 0.0120 -0.0065 4108 THR 59 CG2 0.0055 0.0128 -0.0075 4109 LYS 60 N 0.0067 0.0118 -0.0064 4110 LYS 60 CA 0.0070 0.0119 -0.0066 4111 LYS 60 C 0.0076 0.0114 -0.0060 4112 LYS 60 O 0.0083 0.0112 -0.0060 4113 LYS 60 CB 0.0075 0.0124 -0.0073 4114 LYS 60 CG 0.0077 0.0126 -0.0076 4115 LYS 60 CD 0.0081 0.0132 -0.0084 4116 LYS 60 CE 0.0083 0.0134 -0.0087 4117 LYS 60 NZ 0.0087 0.0139 -0.0094 4118 GLU 61 N 0.0076 0.0069 -0.0046 4119 GLU 61 CA 0.0076 0.0073 -0.0035 4120 GLU 61 C 0.0074 0.0066 -0.0023 4121 GLU 61 O 0.0072 0.0054 -0.0022 4122 GLU 61 CB 0.0076 0.0070 -0.0039 4123 GLU 61 CG 0.0076 0.0074 -0.0028 4124 GLU 61 CD 0.0075 0.0071 -0.0032 4125 GLU 61 OE1 0.0075 0.0065 -0.0043 4126 GLU 61 OE2 0.0075 0.0073 -0.0023 4127 GLN 62 N 0.0075 0.0074 -0.0012 4128 GLN 62 CA 0.0073 0.0068 -0.0000 4129 GLN 62 C 0.0074 0.0074 0.0012 4130 GLN 62 O 0.0075 0.0086 0.0014 4131 GLN 62 CB 0.0074 0.0071 0.0001 4132 GLN 62 CG 0.0072 0.0065 0.0013 4133 GLN 62 CD 0.0072 0.0068 0.0014 4134 GLN 62 OE1 0.0074 0.0074 0.0005 4135 GLN 62 NE2 0.0071 0.0063 0.0024 4136 VAL 63 N 0.0072 0.0066 0.0020 4137 VAL 63 CA 0.0072 0.0070 0.0031 4138 VAL 63 C 0.0070 0.0062 0.0043 4139 VAL 63 O 0.0068 0.0050 0.0045 4140 VAL 63 CB 0.0072 0.0068 0.0030 4141 VAL 63 CG1 0.0072 0.0072 0.0042 4142 VAL 63 CG2 0.0074 0.0076 0.0018 4143 THR 64 N 0.0070 0.0068 0.0051 4144 THR 64 CA 0.0068 0.0061 0.0063 4145 THR 64 C 0.0069 0.0069 0.0076 4146 THR 64 O 0.0071 0.0079 0.0078 4147 THR 64 CB 0.0068 0.0059 0.0061 4148 THR 64 OG1 0.0070 0.0071 0.0062 4149 THR 64 CG2 0.0068 0.0053 0.0047 4150 ASN 65 N 0.0037 0.0011 0.0085 4151 ASN 65 CA 0.0030 0.0008 0.0078 4152 ASN 65 C 0.0041 0.0010 0.0078 4153 ASN 65 O 0.0054 0.0013 0.0081 4154 ASN 65 CB 0.0026 0.0004 0.0062 4155 ASN 65 CG 0.0038 0.0005 0.0050 4156 ASN 65 OD1 0.0050 0.0007 0.0050 4157 ASN 65 ND2 0.0034 0.0002 0.0039 4158 VAL 66 N 0.0035 0.0009 0.0075 4159 VAL 66 CA 0.0045 0.0010 0.0072 4160 VAL 66 C 0.0040 0.0007 0.0057 4161 VAL 66 O 0.0027 0.0003 0.0054 4162 VAL 66 CB 0.0045 0.0012 0.0084 4163 VAL 66 CG1 0.0046 0.0015 0.0100 4164 VAL 66 CG2 0.0032 0.0009 0.0084 4165 GLY 67 N 0.0051 0.0007 0.0048 4166 GLY 67 CA 0.0049 0.0004 0.0034 4167 GLY 67 C 0.0042 0.0001 0.0022 4168 GLY 67 O 0.0040 -0.0001 0.0010 4169 GLY 68 N 0.0038 0.0001 0.0026 4170 GLY 68 CA 0.0029 -0.0003 0.0016 4171 GLY 68 C 0.0036 -0.0002 0.0013 4172 GLY 68 O 0.0047 0.0002 0.0019 4173 ALA 69 N 0.0046 0.0002 0.0012 4174 ALA 69 CA 0.0049 0.0004 0.0012 4175 ALA 69 C 0.0050 0.0004 0.0012 4176 ALA 69 O 0.0048 0.0005 0.0011 4177 ALA 69 CB 0.0049 0.0007 0.0009 4178 VAL 70 N 0.0053 0.0003 0.0014 4179 VAL 70 CA 0.0054 0.0002 0.0015 4180 VAL 70 C 0.0057 0.0004 0.0014 4181 VAL 70 O 0.0060 0.0005 0.0014 4182 VAL 70 CB 0.0055 -0.0001 0.0018 4183 VAL 70 CG1 0.0056 -0.0001 0.0019 4184 VAL 70 CG2 0.0051 -0.0003 0.0019 4185 VAL 71 N 0.0057 0.0006 0.0013 4186 VAL 71 CA 0.0060 0.0007 0.0012 4187 VAL 71 C 0.0062 0.0006 0.0014 4188 VAL 71 O 0.0060 0.0005 0.0014 4189 VAL 71 CB 0.0060 0.0010 0.0009 4190 VAL 71 CG1 0.0063 0.0012 0.0008 4191 VAL 71 CG2 0.0059 0.0012 0.0007 4192 THR 72 N 0.0065 0.0005 0.0015 4193 THR 72 CA 0.0066 0.0004 0.0017 4194 THR 72 C 0.0070 0.0006 0.0016 4195 THR 72 O 0.0073 0.0007 0.0016 4196 THR 72 CB 0.0068 0.0001 0.0020 4197 THR 72 OG1 0.0070 0.0002 0.0020 4198 THR 72 CG2 0.0064 -0.0001 0.0021 4199 GLY 73 N 0.0061 0.0002 0.0027 4200 GLY 73 CA 0.0055 0.0001 0.0029 4201 GLY 73 C 0.0054 -0.0003 0.0029 4202 GLY 73 O 0.0051 -0.0001 0.0030 4203 VAL 74 N 0.0055 -0.0008 0.0029 4204 VAL 74 CA 0.0053 -0.0012 0.0030 4205 VAL 74 C 0.0048 -0.0014 0.0031 4206 VAL 74 O 0.0047 -0.0015 0.0032 4207 VAL 74 CB 0.0057 -0.0016 0.0029 4208 VAL 74 CG1 0.0063 -0.0013 0.0027 4209 VAL 74 CG2 0.0058 -0.0021 0.0029 4210 THR 75 N 0.0045 -0.0016 0.0032 4211 THR 75 CA 0.0039 -0.0018 0.0034 4212 THR 75 C 0.0038 -0.0022 0.0035 4213 THR 75 O 0.0039 -0.0021 0.0034 4214 THR 75 CB 0.0035 -0.0013 0.0035 4215 THR 75 OG1 0.0037 -0.0009 0.0034 4216 THR 75 CG2 0.0030 -0.0015 0.0037 4217 ALA 76 N 0.0036 -0.0027 0.0035 4218 ALA 76 CA 0.0033 -0.0031 0.0036 4219 ALA 76 C 0.0037 -0.0034 0.0035 4220 ALA 76 O 0.0036 -0.0035 0.0035 4221 ALA 76 CB 0.0028 -0.0029 0.0038 4222 VAL 77 N 0.0027 -0.0035 0.0029 4223 VAL 77 CA 0.0025 -0.0033 0.0029 4224 VAL 77 C 0.0022 -0.0026 0.0025 4225 VAL 77 O 0.0019 -0.0024 0.0025 4226 VAL 77 CB 0.0019 -0.0036 0.0034 4227 VAL 77 CG1 0.0016 -0.0034 0.0034 4228 VAL 77 CG2 0.0021 -0.0043 0.0038 4229 ALA 78 N 0.0024 -0.0023 0.0022 4230 ALA 78 CA 0.0023 -0.0017 0.0018 4231 ALA 78 C 0.0022 -0.0015 0.0017 4232 ALA 78 O 0.0027 -0.0015 0.0015 4233 ALA 78 CB 0.0029 -0.0015 0.0014 4234 GLN 79 N 0.0016 -0.0012 0.0018 4235 GLN 79 CA 0.0014 -0.0010 0.0017 4236 GLN 79 C 0.0012 -0.0003 0.0013 4237 GLN 79 O 0.0010 -0.0000 0.0012 4238 GLN 79 CB 0.0009 -0.0012 0.0021 4239 GLN 79 CG 0.0002 -0.0011 0.0023 4240 GLN 79 CD -0.0003 -0.0014 0.0027 4241 GLN 79 OE1 -0.0001 -0.0017 0.0028 4242 GLN 79 NE2 -0.0009 -0.0012 0.0029 4243 LYS 80 N 0.0012 0.0000 0.0011 4244 LYS 80 CA 0.0009 0.0006 0.0008 4245 LYS 80 C 0.0005 0.0007 0.0009 4246 LYS 80 O 0.0007 0.0003 0.0011 4247 LYS 80 CB 0.0014 0.0010 0.0002 4248 LYS 80 CG 0.0010 0.0017 -0.0001 4249 LYS 80 CD 0.0015 0.0021 -0.0006 4250 LYS 80 CE 0.0011 0.0028 -0.0009 4251 LYS 80 NZ 0.0015 0.0032 -0.0014 4252 THR 81 N 0.0000 0.0017 0.0021 4253 THR 81 CA -0.0013 0.0019 0.0026 4254 THR 81 C -0.0016 0.0035 0.0027 4255 THR 81 O -0.0017 0.0042 0.0027 4256 THR 81 CB -0.0023 0.0011 0.0031 4257 THR 81 OG1 -0.0020 -0.0004 0.0031 4258 THR 81 CG2 -0.0037 0.0013 0.0036 4259 VAL 82 N -0.0019 0.0041 0.0028 4260 VAL 82 CA -0.0025 0.0055 0.0029 4261 VAL 82 C -0.0039 0.0054 0.0035 4262 VAL 82 O -0.0043 0.0047 0.0037 4263 VAL 82 CB -0.0018 0.0063 0.0026 4264 VAL 82 CG1 -0.0024 0.0078 0.0028 4265 VAL 82 CG2 -0.0003 0.0065 0.0020 4266 GLU 83 N -0.0047 0.0061 0.0038 4267 GLU 83 CA -0.0062 0.0061 0.0044 4268 GLU 83 C -0.0068 0.0046 0.0047 4269 GLU 83 O -0.0074 0.0042 0.0050 4270 GLU 83 CB -0.0067 0.0070 0.0045 4271 GLU 83 CG -0.0063 0.0086 0.0043 4272 GLU 83 CD -0.0068 0.0094 0.0045 4273 GLU 83 OE1 -0.0073 0.0088 0.0047 4274 GLU 83 OE2 -0.0067 0.0108 0.0043 4275 GLY 84 N -0.0066 0.0039 0.0047 4276 GLY 84 CA -0.0072 0.0025 0.0050 4277 GLY 84 C -0.0068 0.0019 0.0049 4278 GLY 84 O -0.0060 0.0025 0.0045 4279 ALA 85 N -0.0033 0.0020 0.0041 4280 ALA 85 CA -0.0029 0.0013 0.0037 4281 ALA 85 C -0.0026 0.0007 0.0034 4282 ALA 85 O -0.0031 0.0005 0.0033 4283 ALA 85 CB -0.0035 0.0009 0.0035 4284 GLY 86 N -0.0018 0.0003 0.0033 4285 GLY 86 CA -0.0015 -0.0003 0.0030 4286 GLY 86 C -0.0011 -0.0010 0.0026 4287 GLY 86 O -0.0003 -0.0010 0.0026 4288 SER 87 N -0.0015 -0.0017 0.0022 4289 SER 87 CA -0.0012 -0.0025 0.0018 4290 SER 87 C -0.0009 -0.0030 0.0015 4291 SER 87 O -0.0015 -0.0032 0.0013 4292 SER 87 CB -0.0019 -0.0028 0.0015 4293 SER 87 OG -0.0021 -0.0024 0.0017 4294 ILE 88 N -0.0001 -0.0031 0.0015 4295 ILE 88 CA 0.0003 -0.0034 0.0013 4296 ILE 88 C 0.0001 -0.0043 0.0008 4297 ILE 88 O -0.0004 -0.0046 0.0006 4298 ILE 88 CB 0.0013 -0.0033 0.0015 4299 ILE 88 CG1 0.0013 -0.0024 0.0020 4300 ILE 88 CG2 0.0017 -0.0038 0.0013 4301 ILE 88 CD1 0.0023 -0.0021 0.0023 4302 ALA 89 N 0.0033 -0.0032 0.0004 4303 ALA 89 CA 0.0034 -0.0029 -0.0001 4304 ALA 89 C 0.0038 -0.0030 -0.0005 4305 ALA 89 O 0.0042 -0.0033 -0.0006 4306 ALA 89 CB 0.0034 -0.0029 -0.0001 4307 ALA 90 N 0.0038 -0.0029 -0.0007 4308 ALA 90 CA 0.0042 -0.0030 -0.0011 4309 ALA 90 C 0.0041 -0.0027 -0.0016 4310 ALA 90 O 0.0038 -0.0023 -0.0016 4311 ALA 90 CB 0.0042 -0.0031 -0.0009 4312 ALA 91 N 0.0045 -0.0028 -0.0020 4313 ALA 91 CA 0.0045 -0.0025 -0.0025 4314 ALA 91 C 0.0049 -0.0026 -0.0028 4315 ALA 91 O 0.0053 -0.0029 -0.0028 4316 ALA 91 CB 0.0045 -0.0024 -0.0026 4317 THR 92 N 0.0049 -0.0024 -0.0031 4318 THR 92 CA 0.0052 -0.0025 -0.0035 4319 THR 92 C 0.0052 -0.0022 -0.0040 4320 THR 92 O 0.0048 -0.0018 -0.0040 4321 THR 92 CB 0.0052 -0.0026 -0.0033 4322 THR 92 OG1 0.0049 -0.0022 -0.0034 4323 THR 92 CG2 0.0052 -0.0029 -0.0028 4324 GLY 93 N 0.0028 -0.0090 -0.0048 4325 GLY 93 CA 0.0035 -0.0067 -0.0067 4326 GLY 93 C 0.0052 -0.0068 -0.0072 4327 GLY 93 O 0.0049 -0.0051 -0.0083 4328 PHE 94 N 0.0071 -0.0089 -0.0064 4329 PHE 94 CA 0.0090 -0.0093 -0.0068 4330 PHE 94 C 0.0093 -0.0120 -0.0050 4331 PHE 94 O 0.0098 -0.0137 -0.0040 4332 PHE 94 CB 0.0119 -0.0087 -0.0083 4333 PHE 94 CG 0.0119 -0.0060 -0.0102 4334 PHE 94 CD1 0.0122 -0.0045 -0.0114 4335 PHE 94 CD2 0.0115 -0.0050 -0.0108 4336 PHE 94 CE1 0.0122 -0.0021 -0.0131 4337 PHE 94 CE2 0.0115 -0.0025 -0.0125 4338 PHE 94 CZ 0.0119 -0.0010 -0.0137 4339 VAL 95 N 0.0092 -0.0125 -0.0047 4340 VAL 95 CA 0.0099 -0.0149 -0.0032 4341 VAL 95 C 0.0119 -0.0148 -0.0040 4342 VAL 95 O 0.0110 -0.0134 -0.0047 4343 VAL 95 CB 0.0073 -0.0159 -0.0015 4344 VAL 95 CG1 0.0082 -0.0184 -0.0001 4345 VAL 95 CG2 0.0054 -0.0163 -0.0006 4346 LYS 96 N 0.0144 -0.0163 -0.0039 4347 LYS 96 CA 0.0165 -0.0163 -0.0046 4348 LYS 96 C 0.0174 -0.0189 -0.0031 4349 LYS 96 O 0.0164 -0.0206 -0.0015 4350 LYS 96 CB 0.0192 -0.0154 -0.0062 4351 LYS 96 CG 0.0186 -0.0127 -0.0079 4352 LYS 96 CD 0.0182 -0.0110 -0.0090 4353 LYS 96 CE 0.0176 -0.0083 -0.0107 4354 LYS 96 NZ 0.0201 -0.0075 -0.0121 4355 LYS 97 N 0.0170 -0.0382 0.0012 4356 LYS 97 CA 0.0132 -0.0293 0.0025 4357 LYS 97 C 0.0032 -0.0301 0.0021 4358 LYS 97 O -0.0012 -0.0365 0.0010 4359 LYS 97 CB 0.0148 -0.0244 0.0033 4360 LYS 97 CG 0.0118 -0.0148 0.0047 4361 LYS 97 CD 0.0173 -0.0090 0.0057 4362 LYS 97 CE 0.0140 0.0005 0.0071 4363 LYS 97 NZ 0.0154 0.0046 0.0078 4364 ASP 98 N -0.0005 -0.0237 0.0030 4365 ASP 98 CA -0.0101 -0.0230 0.0029 4366 ASP 98 C -0.0126 -0.0132 0.0044 4367 ASP 98 O -0.0070 -0.0076 0.0054 4368 ASP 98 CB -0.0123 -0.0269 0.0022 4369 ASP 98 CG -0.0222 -0.0292 0.0016 4370 ASP 98 OD1 -0.0275 -0.0275 0.0018 4371 ASP 98 OD2 -0.0248 -0.0327 0.0010 4372 GLN 99 N -0.0212 -0.0111 0.0045 4373 GLN 99 CA -0.0245 -0.0020 0.0058 4374 GLN 99 C -0.0205 0.0039 0.0068 4375 GLN 99 O -0.0171 0.0111 0.0081 4376 GLN 99 CB -0.0348 -0.0018 0.0056 4377 GLN 99 CG -0.0389 0.0074 0.0070 4378 GLN 99 CD -0.0490 0.0073 0.0067 4379 GLN 99 OE1 -0.0531 0.0003 0.0055 4380 GLN 99 NE2 -0.0532 0.0150 0.0078 4381 VAL 37 N -0.0079 -0.0046 0.0039 4382 VAL 37 CA -0.0080 -0.0038 0.0035 4383 VAL 37 C -0.0063 -0.0032 0.0032 4384 VAL 37 O -0.0058 -0.0029 0.0030 4385 VAL 37 CB -0.0088 -0.0048 0.0041 4386 VAL 37 CG1 -0.0107 -0.0050 0.0042 4387 VAL 37 CG2 -0.0080 -0.0064 0.0049 4388 LEU 38 N -0.0053 -0.0029 0.0030 4389 LEU 38 CA -0.0035 -0.0023 0.0027 4390 LEU 38 C -0.0035 -0.0007 0.0018 4391 LEU 38 O -0.0026 -0.0003 0.0016 4392 LEU 38 CB -0.0026 -0.0025 0.0028 4393 LEU 38 CG -0.0015 -0.0039 0.0036 4394 LEU 38 CD1 0.0000 -0.0041 0.0037 4395 LEU 38 CD2 -0.0026 -0.0053 0.0043 4396 TYR 39 N -0.0046 0.0003 0.0013 4397 TYR 39 CA -0.0048 0.0018 0.0005 4398 TYR 39 C -0.0031 0.0027 -0.0000 4399 TYR 39 O -0.0025 0.0033 -0.0003 4400 TYR 39 CB -0.0057 0.0020 0.0004 4401 TYR 39 CG -0.0076 0.0015 0.0006 4402 TYR 39 CD1 -0.0089 0.0025 0.0001 4403 TYR 39 CD2 -0.0080 0.0001 0.0014 4404 TYR 39 CE1 -0.0106 0.0020 0.0004 4405 TYR 39 CE2 -0.0097 -0.0003 0.0016 4406 TYR 39 CZ -0.0110 0.0006 0.0011 4407 TYR 39 OH -0.0127 0.0002 0.0014 4408 VAL 40 N -0.0024 0.0028 -0.0001 4409 VAL 40 CA -0.0008 0.0037 -0.0005 4410 VAL 40 C -0.0012 0.0054 -0.0015 4411 VAL 40 O -0.0002 0.0062 -0.0019 4412 VAL 40 CB 0.0001 0.0032 -0.0003 4413 VAL 40 CG1 0.0017 0.0041 -0.0008 4414 VAL 40 CG2 0.0005 0.0015 0.0006 4415 GLY 41 N -0.0030 0.0059 -0.0018 4416 GLY 41 CA -0.0030 0.0057 -0.0020 4417 GLY 41 C -0.0027 0.0057 -0.0017 4418 GLY 41 O -0.0029 0.0058 -0.0017 4419 SER 42 N -0.0023 0.0055 -0.0013 4420 SER 42 CA -0.0020 0.0056 -0.0008 4421 SER 42 C -0.0019 0.0054 -0.0010 4422 SER 42 O -0.0020 0.0056 -0.0008 4423 SER 42 CB -0.0016 0.0055 -0.0004 4424 SER 42 OG -0.0013 0.0055 0.0000 4425 LYS 43 N -0.0018 0.0049 -0.0014 4426 LYS 43 CA -0.0018 0.0047 -0.0017 4427 LYS 43 C -0.0018 0.0043 -0.0022 4428 LYS 43 O -0.0015 0.0039 -0.0022 4429 LYS 43 CB -0.0013 0.0044 -0.0014 4430 LYS 43 CG -0.0014 0.0042 -0.0017 4431 LYS 43 CD -0.0009 0.0040 -0.0013 4432 LYS 43 CE -0.0010 0.0039 -0.0016 4433 LYS 43 NZ -0.0010 0.0035 -0.0021 4434 THR 44 N -0.0022 0.0043 -0.0027 4435 THR 44 CA -0.0022 0.0039 -0.0032 4436 THR 44 C -0.0022 0.0038 -0.0035 4437 THR 44 O -0.0024 0.0040 -0.0034 4438 THR 44 CB -0.0026 0.0041 -0.0036 4439 THR 44 OG1 -0.0030 0.0045 -0.0037 4440 THR 44 CG2 -0.0026 0.0043 -0.0033 4441 LYS 45 N 0.0010 0.0020 -0.0035 4442 LYS 45 CA 0.0012 0.0014 -0.0029 4443 LYS 45 C 0.0004 0.0012 -0.0024 4444 LYS 45 O -0.0000 0.0011 -0.0023 4445 LYS 45 CB 0.0017 0.0013 -0.0028 4446 LYS 45 CG 0.0021 0.0007 -0.0022 4447 LYS 45 CD 0.0026 0.0006 -0.0022 4448 LYS 45 CE 0.0030 -0.0001 -0.0016 4449 LYS 45 NZ 0.0036 -0.0002 -0.0015 4450 GLU 46 N 0.0003 0.0010 -0.0021 4451 GLU 46 CA -0.0006 0.0008 -0.0018 4452 GLU 46 C -0.0005 0.0003 -0.0012 4453 GLU 46 O -0.0002 0.0002 -0.0012 4454 GLU 46 CB -0.0011 0.0013 -0.0023 4455 GLU 46 CG -0.0007 0.0016 -0.0027 4456 GLU 46 CD -0.0012 0.0022 -0.0032 4457 GLU 46 OE1 -0.0019 0.0023 -0.0033 4458 GLU 46 OE2 -0.0010 0.0024 -0.0036 4459 GLY 47 N -0.0009 -0.0001 -0.0007 4460 GLY 47 CA -0.0008 -0.0007 -0.0000 4461 GLY 47 C -0.0000 -0.0011 0.0003 4462 GLY 47 O 0.0004 -0.0014 0.0005 4463 VAL 48 N 0.0002 -0.0011 0.0002 4464 VAL 48 CA 0.0010 -0.0014 0.0004 4465 VAL 48 C 0.0009 -0.0018 0.0009 4466 VAL 48 O 0.0004 -0.0017 0.0009 4467 VAL 48 CB 0.0016 -0.0009 -0.0003 4468 VAL 48 CG1 0.0024 -0.0012 -0.0001 4469 VAL 48 CG2 0.0017 -0.0005 -0.0008 4470 VAL 49 N 0.0036 -0.0043 0.0012 4471 VAL 49 CA 0.0032 -0.0042 0.0018 4472 VAL 49 C 0.0035 -0.0041 0.0019 4473 VAL 49 O 0.0041 -0.0041 0.0019 4474 VAL 49 CB 0.0034 -0.0040 0.0025 4475 VAL 49 CG1 0.0032 -0.0038 0.0032 4476 VAL 49 CG2 0.0030 -0.0040 0.0024 4477 HIS 50 N 0.0029 -0.0041 0.0020 4478 HIS 50 CA 0.0032 -0.0041 0.0021 4479 HIS 50 C 0.0027 -0.0040 0.0026 4480 HIS 50 O 0.0020 -0.0040 0.0025 4481 HIS 50 CB 0.0034 -0.0042 0.0014 4482 HIS 50 CG 0.0027 -0.0044 0.0010 4483 HIS 50 ND1 0.0023 -0.0044 0.0010 4484 HIS 50 CD2 0.0024 -0.0045 0.0004 4485 HIS 50 CE1 0.0018 -0.0045 0.0005 4486 HIS 50 NE2 0.0019 -0.0046 0.0001 4487 GLY 51 N 0.0030 -0.0039 0.0031 4488 GLY 51 CA 0.0025 -0.0038 0.0036 4489 GLY 51 C 0.0022 -0.0036 0.0042 4490 GLY 51 O 0.0015 -0.0036 0.0043 4491 VAL 52 N 0.0027 -0.0035 0.0047 4492 VAL 52 CA 0.0024 -0.0034 0.0053 4493 VAL 52 C 0.0027 -0.0032 0.0060 4494 VAL 52 O 0.0033 -0.0032 0.0061 4495 VAL 52 CB 0.0027 -0.0034 0.0053 4496 VAL 52 CG1 0.0025 -0.0032 0.0059 4497 VAL 52 CG2 0.0024 -0.0035 0.0046 4498 ALA 53 N 0.0014 -0.0018 0.0077 4499 ALA 53 CA 0.0009 -0.0007 0.0070 4500 ALA 53 C 0.0020 -0.0000 0.0062 4501 ALA 53 O 0.0029 -0.0003 0.0062 4502 ALA 53 CB -0.0000 -0.0005 0.0071 4503 THR 54 N 0.0018 0.0009 0.0055 4504 THR 54 CA 0.0028 0.0015 0.0047 4505 THR 54 C 0.0022 0.0027 0.0039 4506 THR 54 O 0.0014 0.0030 0.0039 4507 THR 54 CB 0.0037 0.0013 0.0047 4508 THR 54 OG1 0.0043 0.0002 0.0055 4509 THR 54 CG2 0.0047 0.0020 0.0039 4510 VAL 55 N 0.0027 0.0033 0.0033 4511 VAL 55 CA 0.0022 0.0044 0.0025 4512 VAL 55 C 0.0034 0.0050 0.0018 4513 VAL 55 O 0.0044 0.0047 0.0018 4514 VAL 55 CB 0.0014 0.0048 0.0025 4515 VAL 55 CG1 0.0011 0.0059 0.0016 4516 VAL 55 CG2 0.0002 0.0043 0.0031 4517 ALA 56 N 0.0034 0.0057 0.0012 4518 ALA 56 CA 0.0045 0.0063 0.0005 4519 ALA 56 C 0.0040 0.0075 -0.0003 4520 ALA 56 O 0.0033 0.0078 -0.0005 4521 ALA 56 CB 0.0053 0.0060 0.0006 4522 GLU 57 N 0.0035 0.0065 -0.0028 4523 GLU 57 CA 0.0032 0.0071 -0.0035 4524 GLU 57 C 0.0040 0.0074 -0.0038 4525 GLU 57 O 0.0046 0.0076 -0.0039 4526 GLU 57 CB 0.0029 0.0073 -0.0039 4527 GLU 57 CG 0.0021 0.0071 -0.0036 4528 GLU 57 CD 0.0018 0.0073 -0.0040 4529 GLU 57 OE1 0.0023 0.0077 -0.0044 4530 GLU 57 OE2 0.0011 0.0072 -0.0039 4531 LYS 58 N 0.0039 0.0076 -0.0040 4532 LYS 58 CA 0.0046 0.0079 -0.0042 4533 LYS 58 C 0.0043 0.0084 -0.0049 4534 LYS 58 O 0.0039 0.0083 -0.0049 4535 LYS 58 CB 0.0050 0.0075 -0.0037 4536 LYS 58 CG 0.0054 0.0070 -0.0031 4537 LYS 58 CD 0.0058 0.0066 -0.0026 4538 LYS 58 CE 0.0062 0.0061 -0.0020 4539 LYS 58 NZ 0.0065 0.0057 -0.0015 4540 THR 59 N 0.0046 0.0089 -0.0054 4541 THR 59 CA 0.0044 0.0094 -0.0061 4542 THR 59 C 0.0047 0.0096 -0.0062 4543 THR 59 O 0.0043 0.0098 -0.0065 4544 THR 59 CB 0.0046 0.0099 -0.0066 4545 THR 59 OG1 0.0043 0.0098 -0.0065 4546 THR 59 CG2 0.0043 0.0105 -0.0073 4547 LYS 60 N 0.0055 0.0094 -0.0059 4548 LYS 60 CA 0.0058 0.0095 -0.0059 4549 LYS 60 C 0.0065 0.0090 -0.0053 4550 LYS 60 O 0.0071 0.0090 -0.0052 4551 LYS 60 CB 0.0063 0.0101 -0.0065 4552 LYS 60 CG 0.0066 0.0102 -0.0066 4553 LYS 60 CD 0.0069 0.0108 -0.0073 4554 LYS 60 CE 0.0072 0.0109 -0.0074 4555 LYS 60 NZ 0.0076 0.0115 -0.0081 4556 GLU 61 N 0.0080 0.0034 -0.0039 4557 GLU 61 CA 0.0081 0.0038 -0.0028 4558 GLU 61 C 0.0080 0.0030 -0.0013 4559 GLU 61 O 0.0079 0.0016 -0.0013 4560 GLU 61 CB 0.0080 0.0033 -0.0033 4561 GLU 61 CG 0.0081 0.0036 -0.0022 4562 GLU 61 CD 0.0080 0.0031 -0.0027 4563 GLU 61 OE1 0.0080 0.0026 -0.0040 4564 GLU 61 OE2 0.0081 0.0034 -0.0018 4565 GLN 62 N 0.0081 0.0039 -0.0002 4566 GLN 62 CA 0.0081 0.0033 0.0013 4567 GLN 62 C 0.0082 0.0039 0.0026 4568 GLN 62 O 0.0083 0.0052 0.0028 4569 GLN 62 CB 0.0081 0.0037 0.0015 4570 GLN 62 CG 0.0081 0.0031 0.0030 4571 GLN 62 CD 0.0082 0.0035 0.0031 4572 GLN 62 OE1 0.0082 0.0043 0.0022 4573 GLN 62 NE2 0.0081 0.0030 0.0043 4574 VAL 63 N 0.0081 0.0028 0.0034 4575 VAL 63 CA 0.0082 0.0032 0.0047 4576 VAL 63 C 0.0081 0.0024 0.0060 4577 VAL 63 O 0.0080 0.0010 0.0062 4578 VAL 63 CB 0.0081 0.0029 0.0044 4579 VAL 63 CG1 0.0082 0.0033 0.0057 4580 VAL 63 CG2 0.0082 0.0038 0.0030 4581 THR 64 N 0.0082 0.0031 0.0070 4582 THR 64 CA 0.0081 0.0023 0.0084 4583 THR 64 C 0.0082 0.0032 0.0098 4584 THR 64 O 0.0083 0.0044 0.0101 4585 THR 64 CB 0.0081 0.0022 0.0083 4586 THR 64 OG1 0.0083 0.0037 0.0085 4587 THR 64 CG2 0.0081 0.0016 0.0068 4588 ASN 65 N 0.0039 -0.0041 0.0117 4589 ASN 65 CA 0.0023 -0.0043 0.0104 4590 ASN 65 C 0.0027 -0.0040 0.0101 4591 ASN 65 O 0.0044 -0.0035 0.0105 4592 ASN 65 CB 0.0017 -0.0038 0.0084 4593 ASN 65 CG 0.0032 -0.0027 0.0068 4594 ASN 65 OD1 0.0043 -0.0022 0.0067 4595 ASN 65 ND2 0.0031 -0.0022 0.0054 4596 VAL 66 N 0.0011 -0.0044 0.0095 4597 VAL 66 CA 0.0014 -0.0040 0.0088 4598 VAL 66 C 0.0003 -0.0037 0.0067 4599 VAL 66 O -0.0013 -0.0042 0.0062 4600 VAL 66 CB 0.0008 -0.0048 0.0102 4601 VAL 66 CG1 0.0016 -0.0052 0.0124 4602 VAL 66 CG2 -0.0014 -0.0055 0.0099 4603 GLY 67 N 0.0012 -0.0029 0.0053 4604 GLY 67 CA 0.0003 -0.0026 0.0033 4605 GLY 67 C -0.0001 -0.0022 0.0019 4606 GLY 67 O -0.0008 -0.0019 0.0001 4607 GLY 68 N 0.0003 -0.0023 0.0027 4608 GLY 68 CA -0.0003 -0.0022 0.0015 4609 GLY 68 C 0.0014 -0.0015 0.0015 4610 GLY 68 O 0.0031 -0.0011 0.0023 4611 ALA 69 N 0.0029 -0.0015 0.0023 4612 ALA 69 CA 0.0034 -0.0010 0.0023 4613 ALA 69 C 0.0040 -0.0011 0.0025 4614 ALA 69 O 0.0039 -0.0008 0.0024 4615 ALA 69 CB 0.0032 -0.0003 0.0022 4616 VAL 70 N 0.0045 -0.0013 0.0026 4617 VAL 70 CA 0.0050 -0.0014 0.0027 4618 VAL 70 C 0.0056 -0.0009 0.0028 4619 VAL 70 O 0.0058 -0.0009 0.0028 4620 VAL 70 CB 0.0053 -0.0021 0.0029 4621 VAL 70 CG1 0.0058 -0.0022 0.0030 4622 VAL 70 CG2 0.0047 -0.0026 0.0028 4623 VAL 71 N 0.0059 -0.0006 0.0028 4624 VAL 71 CA 0.0064 -0.0002 0.0029 4625 VAL 71 C 0.0070 -0.0005 0.0030 4626 VAL 71 O 0.0069 -0.0006 0.0030 4627 VAL 71 CB 0.0063 0.0005 0.0027 4628 VAL 71 CG1 0.0069 0.0009 0.0028 4629 VAL 71 CG2 0.0058 0.0008 0.0026 4630 THR 72 N 0.0075 -0.0006 0.0031 4631 THR 72 CA 0.0080 -0.0009 0.0033 4632 THR 72 C 0.0087 -0.0005 0.0034 4633 THR 72 O 0.0089 -0.0004 0.0034 4634 THR 72 CB 0.0082 -0.0016 0.0034 4635 THR 72 OG1 0.0083 -0.0015 0.0034 4636 THR 72 CG2 0.0076 -0.0020 0.0034 4637 GLY 73 N 0.0072 -0.0002 0.0043 4638 GLY 73 CA 0.0067 -0.0003 0.0044 4639 GLY 73 C 0.0066 -0.0007 0.0044 4640 GLY 73 O 0.0063 -0.0005 0.0045 4641 VAL 74 N 0.0067 -0.0011 0.0044 4642 VAL 74 CA 0.0066 -0.0015 0.0044 4643 VAL 74 C 0.0061 -0.0017 0.0045 4644 VAL 74 O 0.0060 -0.0017 0.0045 4645 VAL 74 CB 0.0069 -0.0018 0.0044 4646 VAL 74 CG1 0.0074 -0.0016 0.0043 4647 VAL 74 CG2 0.0070 -0.0022 0.0044 4648 THR 75 N 0.0058 -0.0019 0.0046 4649 THR 75 CA 0.0053 -0.0020 0.0046 4650 THR 75 C 0.0052 -0.0024 0.0047 4651 THR 75 O 0.0053 -0.0024 0.0047 4652 THR 75 CB 0.0050 -0.0016 0.0047 4653 THR 75 OG1 0.0051 -0.0012 0.0047 4654 THR 75 CG2 0.0045 -0.0018 0.0048 4655 ALA 76 N 0.0050 -0.0028 0.0047 4656 ALA 76 CA 0.0048 -0.0032 0.0047 4657 ALA 76 C 0.0052 -0.0035 0.0047 4658 ALA 76 O 0.0051 -0.0036 0.0047 4659 ALA 76 CB 0.0044 -0.0031 0.0048 4660 VAL 77 N 0.0039 -0.0033 0.0041 4661 VAL 77 CA 0.0037 -0.0033 0.0041 4662 VAL 77 C 0.0034 -0.0026 0.0036 4663 VAL 77 O 0.0030 -0.0022 0.0036 4664 VAL 77 CB 0.0031 -0.0035 0.0048 4665 VAL 77 CG1 0.0029 -0.0034 0.0049 4666 VAL 77 CG2 0.0034 -0.0042 0.0053 4667 ALA 78 N 0.0037 -0.0024 0.0033 4668 ALA 78 CA 0.0035 -0.0018 0.0027 4669 ALA 78 C 0.0035 -0.0017 0.0026 4670 ALA 78 O 0.0041 -0.0019 0.0024 4671 ALA 78 CB 0.0040 -0.0016 0.0022 4672 GLN 79 N 0.0029 -0.0014 0.0028 4673 GLN 79 CA 0.0029 -0.0013 0.0027 4674 GLN 79 C 0.0026 -0.0006 0.0022 4675 GLN 79 O 0.0022 -0.0002 0.0020 4676 GLN 79 CB 0.0024 -0.0016 0.0033 4677 GLN 79 CG 0.0016 -0.0013 0.0036 4678 GLN 79 CD 0.0012 -0.0016 0.0042 4679 GLN 79 OE1 0.0015 -0.0020 0.0044 4680 GLN 79 NE2 0.0005 -0.0013 0.0045 4681 LYS 80 N 0.0027 -0.0005 0.0020 4682 LYS 80 CA 0.0023 0.0002 0.0016 4683 LYS 80 C 0.0020 0.0001 0.0019 4684 LYS 80 O 0.0023 -0.0003 0.0021 4685 LYS 80 CB 0.0028 0.0005 0.0009 4686 LYS 80 CG 0.0023 0.0012 0.0005 4687 LYS 80 CD 0.0028 0.0015 -0.0002 4688 LYS 80 CE 0.0023 0.0022 -0.0006 4689 LYS 80 NZ 0.0027 0.0026 -0.0012 4690 THR 81 N 0.0018 0.0007 0.0027 4691 THR 81 CA 0.0007 0.0007 0.0035 4692 THR 81 C 0.0004 0.0022 0.0035 4693 THR 81 O 0.0002 0.0031 0.0034 4694 THR 81 CB -0.0002 0.0002 0.0043 4695 THR 81 OG1 0.0002 -0.0012 0.0043 4696 THR 81 CG2 -0.0013 0.0002 0.0051 4697 VAL 82 N 0.0002 0.0024 0.0035 4698 VAL 82 CA -0.0003 0.0037 0.0036 4699 VAL 82 C -0.0015 0.0036 0.0046 4700 VAL 82 O -0.0017 0.0027 0.0049 4701 VAL 82 CB 0.0004 0.0042 0.0030 4702 VAL 82 CG1 -0.0002 0.0055 0.0032 4703 VAL 82 CG2 0.0016 0.0045 0.0021 4704 GLU 83 N -0.0023 0.0044 0.0050 4705 GLU 83 CA -0.0035 0.0044 0.0060 4706 GLU 83 C -0.0040 0.0030 0.0066 4707 GLU 83 O -0.0043 0.0023 0.0070 4708 GLU 83 CB -0.0038 0.0050 0.0061 4709 GLU 83 CG -0.0036 0.0065 0.0056 4710 GLU 83 CD -0.0040 0.0070 0.0058 4711 GLU 83 OE1 -0.0043 0.0061 0.0062 4712 GLU 83 OE2 -0.0039 0.0082 0.0055 4713 GLY 84 N -0.0039 0.0026 0.0066 4714 GLY 84 CA -0.0043 0.0013 0.0072 4715 GLY 84 C -0.0041 0.0011 0.0071 4716 GLY 84 O -0.0036 0.0019 0.0065 4717 ALA 85 N -0.0013 0.0009 0.0063 4718 ALA 85 CA -0.0009 0.0005 0.0060 4719 ALA 85 C -0.0008 0.0001 0.0057 4720 ALA 85 O -0.0012 -0.0001 0.0056 4721 ALA 85 CB -0.0013 0.0003 0.0059 4722 GLY 86 N -0.0001 -0.0001 0.0055 4723 GLY 86 CA 0.0000 -0.0006 0.0052 4724 GLY 86 C 0.0004 -0.0011 0.0049 4725 GLY 86 O 0.0009 -0.0010 0.0049 4726 SER 87 N 0.0000 -0.0015 0.0046 4727 SER 87 CA 0.0003 -0.0020 0.0042 4728 SER 87 C 0.0005 -0.0024 0.0040 4729 SER 87 O 0.0000 -0.0027 0.0038 4730 SER 87 CB -0.0002 -0.0023 0.0041 4731 SER 87 OG -0.0003 -0.0020 0.0043 4732 ILE 88 N 0.0011 -0.0025 0.0039 4733 ILE 88 CA 0.0013 -0.0028 0.0037 4734 ILE 88 C 0.0012 -0.0034 0.0033 4735 ILE 88 O 0.0008 -0.0036 0.0031 4736 ILE 88 CB 0.0020 -0.0026 0.0038 4737 ILE 88 CG1 0.0020 -0.0020 0.0042 4738 ILE 88 CG2 0.0023 -0.0030 0.0035 4739 ILE 88 CD1 0.0027 -0.0018 0.0043 4740 ALA 89 N 0.0043 -0.0003 0.0037 4741 ALA 89 CA 0.0042 -0.0007 0.0028 4742 ALA 89 C 0.0043 -0.0008 0.0026 4743 ALA 89 O 0.0050 -0.0010 0.0024 4744 ALA 89 CB 0.0049 -0.0009 0.0024 4745 ALA 90 N 0.0036 -0.0007 0.0026 4746 ALA 90 CA 0.0036 -0.0008 0.0023 4747 ALA 90 C 0.0031 -0.0010 0.0015 4748 ALA 90 O 0.0025 -0.0010 0.0012 4749 ALA 90 CB 0.0031 -0.0004 0.0030 4750 ALA 91 N 0.0033 -0.0012 0.0011 4751 ALA 91 CA 0.0030 -0.0015 0.0002 4752 ALA 91 C 0.0030 -0.0016 0.0001 4753 ALA 91 O 0.0038 -0.0017 0.0001 4754 ALA 91 CB 0.0035 -0.0018 -0.0004 4755 THR 92 N 0.0023 -0.0015 -0.0001 4756 THR 92 CA 0.0022 -0.0016 -0.0003 4757 THR 92 C 0.0018 -0.0019 -0.0012 4758 THR 92 O 0.0012 -0.0019 -0.0014 4759 THR 92 CB 0.0017 -0.0013 0.0003 4760 THR 92 OG1 0.0008 -0.0012 0.0003 4761 THR 92 CG2 0.0021 -0.0010 0.0012 4762 GLY 93 N -0.0037 -0.0079 -0.0017 4763 GLY 93 CA -0.0049 -0.0070 -0.0073 4764 GLY 93 C -0.0067 -0.0058 -0.0091 4765 GLY 93 O -0.0099 -0.0039 -0.0124 4766 PHE 94 N -0.0046 -0.0071 -0.0070 4767 PHE 94 CA -0.0058 -0.0064 -0.0085 4768 PHE 94 C -0.0054 -0.0068 -0.0036 4769 PHE 94 O -0.0021 -0.0089 -0.0006 4770 PHE 94 CB -0.0025 -0.0081 -0.0130 4771 PHE 94 CG -0.0032 -0.0075 -0.0184 4772 PHE 94 CD1 -0.0064 -0.0055 -0.0220 4773 PHE 94 CD2 -0.0006 -0.0089 -0.0199 4774 PHE 94 CE1 -0.0069 -0.0049 -0.0270 4775 PHE 94 CE2 -0.0012 -0.0083 -0.0249 4776 PHE 94 CZ -0.0044 -0.0063 -0.0284 4777 VAL 95 N -0.0088 -0.0049 -0.0028 4778 VAL 95 CA -0.0086 -0.0051 0.0013 4779 VAL 95 C -0.0101 -0.0042 -0.0014 4780 VAL 95 O -0.0139 -0.0019 -0.0035 4781 VAL 95 CB -0.0118 -0.0035 0.0062 4782 VAL 95 CG1 -0.0120 -0.0036 0.0100 4783 VAL 95 CG2 -0.0102 -0.0046 0.0093 4784 LYS 96 N -0.0070 -0.0060 -0.0013 4785 LYS 96 CA -0.0078 -0.0054 -0.0038 4786 LYS 96 C -0.0075 -0.0058 0.0003 4787 LYS 96 O -0.0065 -0.0066 0.0051 4788 LYS 96 CB -0.0043 -0.0072 -0.0085 4789 LYS 96 CG -0.0048 -0.0067 -0.0133 4790 LYS 96 CD -0.0091 -0.0041 -0.0165 4791 LYS 96 CE -0.0096 -0.0036 -0.0212 4792 LYS 96 NZ -0.0059 -0.0056 -0.0254 4793 LYS 97 N -0.0137 -0.0226 0.0043 4794 LYS 97 CA -0.0140 -0.0226 0.0074 4795 LYS 97 C -0.0140 -0.0226 0.0073 4796 LYS 97 O -0.0152 -0.0227 0.0051 4797 LYS 97 CB -0.0169 -0.0226 0.0090 4798 LYS 97 CG -0.0172 -0.0225 0.0123 4799 LYS 97 CD -0.0149 -0.0223 0.0142 4800 LYS 97 CE -0.0152 -0.0222 0.0175 4801 LYS 97 NZ -0.0181 -0.0223 0.0187 4802 ASP 98 N -0.0127 -0.0224 0.0095 4803 ASP 98 CA -0.0127 -0.0224 0.0099 4804 ASP 98 C -0.0133 -0.0223 0.0132 4805 ASP 98 O -0.0137 -0.0223 0.0150 4806 ASP 98 CB -0.0098 -0.0223 0.0087 4807 ASP 98 CG -0.0100 -0.0223 0.0080 4808 ASP 98 OD1 -0.0124 -0.0224 0.0086 4809 ASP 98 OD2 -0.0078 -0.0223 0.0069 4810 GLN 99 N -0.0133 -0.0223 0.0140 4811 GLN 99 CA -0.0137 -0.0222 0.0172 4812 GLN 99 C -0.0111 -0.0220 0.0192 4813 GLN 99 O -0.0116 -0.0219 0.0216 4814 GLN 99 CB -0.0141 -0.0222 0.0173 4815 GLN 99 CG -0.0148 -0.0221 0.0205 4816 GLN 99 CD -0.0152 -0.0221 0.0205 4817 GLN 99 OE1 -0.0149 -0.0222 0.0182 4818 GLN 99 NE2 -0.0158 -0.0221 0.0232 4819 VAL 37 N -0.0101 -0.0055 0.0050 4820 VAL 37 CA -0.0104 -0.0046 0.0046 4821 VAL 37 C -0.0082 -0.0039 0.0041 4822 VAL 37 O -0.0077 -0.0037 0.0040 4823 VAL 37 CB -0.0114 -0.0061 0.0054 4824 VAL 37 CG1 -0.0137 -0.0062 0.0057 4825 VAL 37 CG2 -0.0103 -0.0081 0.0063 4826 LEU 38 N -0.0069 -0.0035 0.0038 4827 LEU 38 CA -0.0047 -0.0028 0.0033 4828 LEU 38 C -0.0048 -0.0008 0.0023 4829 LEU 38 O -0.0037 -0.0004 0.0020 4830 LEU 38 CB -0.0034 -0.0029 0.0032 4831 LEU 38 CG -0.0021 -0.0047 0.0039 4832 LEU 38 CD1 -0.0002 -0.0051 0.0040 4833 LEU 38 CD2 -0.0035 -0.0065 0.0049 4834 TYR 39 N -0.0061 0.0005 0.0018 4835 TYR 39 CA -0.0065 0.0025 0.0008 4836 TYR 39 C -0.0044 0.0036 0.0001 4837 TYR 39 O -0.0037 0.0042 -0.0002 4838 TYR 39 CB -0.0077 0.0026 0.0009 4839 TYR 39 CG -0.0100 0.0020 0.0014 4840 TYR 39 CD1 -0.0116 0.0033 0.0009 4841 TYR 39 CD2 -0.0106 0.0002 0.0023 4842 TYR 39 CE1 -0.0137 0.0028 0.0013 4843 TYR 39 CE2 -0.0127 -0.0003 0.0028 4844 TYR 39 CZ -0.0142 0.0010 0.0023 4845 TYR 39 OH -0.0163 0.0004 0.0027 4846 VAL 40 N -0.0033 0.0038 -0.0001 4847 VAL 40 CA -0.0014 0.0049 -0.0007 4848 VAL 40 C -0.0019 0.0071 -0.0017 4849 VAL 40 O -0.0007 0.0081 -0.0023 4850 VAL 40 CB -0.0001 0.0044 -0.0006 4851 VAL 40 CG1 0.0019 0.0055 -0.0013 4852 VAL 40 CG2 0.0004 0.0022 0.0004 4853 GLY 41 N -0.0040 0.0081 -0.0014 4854 GLY 41 CA -0.0040 0.0078 -0.0016 4855 GLY 41 C -0.0036 0.0078 -0.0011 4856 GLY 41 O -0.0037 0.0080 -0.0011 4857 SER 42 N -0.0031 0.0076 -0.0006 4858 SER 42 CA -0.0027 0.0077 0.0001 4859 SER 42 C -0.0025 0.0073 -0.0000 4860 SER 42 O -0.0025 0.0076 0.0003 4861 SER 42 CB -0.0022 0.0075 0.0006 4862 SER 42 OG -0.0018 0.0076 0.0012 4863 LYS 43 N -0.0024 0.0067 -0.0005 4864 LYS 43 CA -0.0023 0.0063 -0.0008 4865 LYS 43 C -0.0024 0.0058 -0.0015 4866 LYS 43 O -0.0021 0.0053 -0.0015 4867 LYS 43 CB -0.0018 0.0060 -0.0003 4868 LYS 43 CG -0.0017 0.0057 -0.0005 4869 LYS 43 CD -0.0012 0.0055 -0.0000 4870 LYS 43 CE -0.0012 0.0052 -0.0002 4871 LYS 43 NZ -0.0012 0.0046 -0.0009 4872 THR 44 N -0.0029 0.0058 -0.0020 4873 THR 44 CA -0.0030 0.0053 -0.0027 4874 THR 44 C -0.0030 0.0050 -0.0030 4875 THR 44 O -0.0031 0.0055 -0.0028 4876 THR 44 CB -0.0035 0.0055 -0.0033 4877 THR 44 OG1 -0.0040 0.0061 -0.0034 4878 THR 44 CG2 -0.0035 0.0058 -0.0030 4879 LYS 45 N 0.0023 0.0021 -0.0037 4880 LYS 45 CA 0.0026 0.0014 -0.0030 4881 LYS 45 C 0.0018 0.0012 -0.0024 4882 LYS 45 O 0.0013 0.0012 -0.0023 4883 LYS 45 CB 0.0031 0.0013 -0.0030 4884 LYS 45 CG 0.0036 0.0006 -0.0023 4885 LYS 45 CD 0.0042 0.0005 -0.0024 4886 LYS 45 CE 0.0047 -0.0002 -0.0018 4887 LYS 45 NZ 0.0053 -0.0003 -0.0018 4888 GLU 46 N 0.0016 0.0009 -0.0020 4889 GLU 46 CA 0.0007 0.0008 -0.0016 4890 GLU 46 C 0.0007 0.0001 -0.0009 4891 GLU 46 O 0.0011 0.0000 -0.0009 4892 GLU 46 CB 0.0001 0.0013 -0.0020 4893 GLU 46 CG 0.0005 0.0016 -0.0024 4894 GLU 46 CD -0.0001 0.0022 -0.0030 4895 GLU 46 OE1 -0.0008 0.0025 -0.0030 4896 GLU 46 OE2 0.0002 0.0024 -0.0033 4897 GLY 47 N 0.0004 -0.0003 -0.0003 4898 GLY 47 CA 0.0004 -0.0009 0.0005 4899 GLY 47 C 0.0013 -0.0014 0.0007 4900 GLY 47 O 0.0018 -0.0018 0.0010 4901 VAL 48 N 0.0016 -0.0014 0.0006 4902 VAL 48 CA 0.0025 -0.0017 0.0007 4903 VAL 48 C 0.0024 -0.0021 0.0012 4904 VAL 48 O 0.0018 -0.0020 0.0012 4905 VAL 48 CB 0.0030 -0.0012 -0.0001 4906 VAL 48 CG1 0.0040 -0.0015 -0.0000 4907 VAL 48 CG2 0.0032 -0.0008 -0.0006 4908 VAL 49 N 0.0052 -0.0045 0.0017 4909 VAL 49 CA 0.0049 -0.0043 0.0023 4910 VAL 49 C 0.0053 -0.0044 0.0022 4911 VAL 49 O 0.0060 -0.0046 0.0022 4912 VAL 49 CB 0.0050 -0.0043 0.0032 4913 VAL 49 CG1 0.0048 -0.0042 0.0038 4914 VAL 49 CG2 0.0045 -0.0041 0.0033 4915 HIS 50 N 0.0047 -0.0043 0.0021 4916 HIS 50 CA 0.0051 -0.0044 0.0020 4917 HIS 50 C 0.0046 -0.0043 0.0024 4918 HIS 50 O 0.0039 -0.0041 0.0023 4919 HIS 50 CB 0.0054 -0.0046 0.0011 4920 HIS 50 CG 0.0047 -0.0045 0.0005 4921 HIS 50 ND1 0.0043 -0.0044 0.0004 4922 HIS 50 CD2 0.0043 -0.0044 -0.0000 4923 HIS 50 CE1 0.0037 -0.0043 -0.0002 4924 HIS 50 NE2 0.0037 -0.0044 -0.0005 4925 GLY 51 N 0.0050 -0.0043 0.0029 4926 GLY 51 CA 0.0046 -0.0041 0.0033 4927 GLY 51 C 0.0042 -0.0040 0.0041 4928 GLY 51 O 0.0034 -0.0038 0.0041 4929 VAL 52 N 0.0046 -0.0040 0.0047 4930 VAL 52 CA 0.0043 -0.0038 0.0055 4931 VAL 52 C 0.0046 -0.0039 0.0062 4932 VAL 52 O 0.0054 -0.0040 0.0063 4933 VAL 52 CB 0.0045 -0.0039 0.0057 4934 VAL 52 CG1 0.0043 -0.0037 0.0066 4935 VAL 52 CG2 0.0041 -0.0038 0.0051 4936 ALA 53 N 0.0005 -0.0012 0.0082 4937 ALA 53 CA -0.0001 -0.0002 0.0074 4938 ALA 53 C 0.0010 0.0004 0.0065 4939 ALA 53 O 0.0020 0.0002 0.0066 4940 ALA 53 CB -0.0009 -0.0001 0.0075 4941 THR 54 N 0.0007 0.0013 0.0058 4942 THR 54 CA 0.0017 0.0019 0.0049 4943 THR 54 C 0.0011 0.0029 0.0041 4944 THR 54 O 0.0001 0.0032 0.0040 4945 THR 54 CB 0.0025 0.0017 0.0050 4946 THR 54 OG1 0.0031 0.0007 0.0058 4947 THR 54 CG2 0.0035 0.0023 0.0041 4948 VAL 55 N 0.0016 0.0035 0.0034 4949 VAL 55 CA 0.0011 0.0046 0.0025 4950 VAL 55 C 0.0023 0.0051 0.0017 4951 VAL 55 O 0.0033 0.0048 0.0017 4952 VAL 55 CB 0.0004 0.0049 0.0023 4953 VAL 55 CG1 0.0000 0.0059 0.0014 4954 VAL 55 CG2 -0.0008 0.0044 0.0031 4955 ALA 56 N 0.0022 0.0058 0.0010 4956 ALA 56 CA 0.0032 0.0063 0.0002 4957 ALA 56 C 0.0026 0.0074 -0.0007 4958 ALA 56 O 0.0019 0.0077 -0.0008 4959 ALA 56 CB 0.0039 0.0060 0.0004 4960 GLU 57 N 0.0018 0.0047 -0.0028 4961 GLU 57 CA 0.0015 0.0051 -0.0036 4962 GLU 57 C 0.0023 0.0055 -0.0039 4963 GLU 57 O 0.0030 0.0058 -0.0040 4964 GLU 57 CB 0.0013 0.0054 -0.0041 4965 GLU 57 CG 0.0005 0.0051 -0.0039 4966 GLU 57 CD 0.0003 0.0054 -0.0045 4967 GLU 57 OE1 0.0009 0.0058 -0.0049 4968 GLU 57 OE2 -0.0004 0.0052 -0.0044 4969 LYS 58 N 0.0021 0.0056 -0.0040 4970 LYS 58 CA 0.0028 0.0058 -0.0042 4971 LYS 58 C 0.0024 0.0062 -0.0050 4972 LYS 58 O 0.0018 0.0061 -0.0050 4973 LYS 58 CB 0.0031 0.0055 -0.0035 4974 LYS 58 CG 0.0036 0.0051 -0.0028 4975 LYS 58 CD 0.0039 0.0047 -0.0021 4976 LYS 58 CE 0.0044 0.0044 -0.0014 4977 LYS 58 NZ 0.0047 0.0040 -0.0007 4978 THR 59 N 0.0028 0.0068 -0.0057 4979 THR 59 CA 0.0025 0.0072 -0.0064 4980 THR 59 C 0.0027 0.0073 -0.0064 4981 THR 59 O 0.0022 0.0074 -0.0068 4982 THR 59 CB 0.0028 0.0077 -0.0071 4983 THR 59 OG1 0.0026 0.0076 -0.0070 4984 THR 59 CG2 0.0024 0.0082 -0.0079 4985 LYS 60 N 0.0035 0.0072 -0.0060 4986 LYS 60 CA 0.0037 0.0072 -0.0059 4987 LYS 60 C 0.0044 0.0068 -0.0052 4988 LYS 60 O 0.0051 0.0070 -0.0050 4989 LYS 60 CB 0.0042 0.0078 -0.0067 4990 LYS 60 CG 0.0043 0.0078 -0.0067 4991 LYS 60 CD 0.0047 0.0084 -0.0075 4992 LYS 60 CE 0.0049 0.0085 -0.0075 4993 LYS 60 NZ 0.0053 0.0091 -0.0082 4994 GLU 61 N 0.0086 -0.0008 -0.0032 4995 GLU 61 CA 0.0088 -0.0005 -0.0021 4996 GLU 61 C 0.0091 -0.0014 -0.0004 4997 GLU 61 O 0.0091 -0.0029 -0.0003 4998 GLU 61 CB 0.0087 -0.0013 -0.0028 4999 GLU 61 CG 0.0089 -0.0011 -0.0016 5000 GLU 61 CD 0.0088 -0.0018 -0.0023 5001 GLU 61 OE1 0.0086 -0.0025 -0.0038 5002 GLU 61 OE2 0.0089 -0.0017 -0.0015 5003 GLN 62 N 0.0092 -0.0003 0.0010 5004 GLN 62 CA 0.0095 -0.0009 0.0026 5005 GLN 62 C 0.0096 -0.0004 0.0040 5006 GLN 62 O 0.0096 0.0011 0.0042 5007 GLN 62 CB 0.0095 -0.0002 0.0031 5008 GLN 62 CG 0.0097 -0.0009 0.0047 5009 GLN 62 CD 0.0098 -0.0002 0.0051 5010 GLN 62 OE1 0.0096 0.0008 0.0041 5011 GLN 62 NE2 0.0100 -0.0007 0.0065 5012 VAL 63 N 0.0098 -0.0017 0.0048 5013 VAL 63 CA 0.0099 -0.0014 0.0062 5014 VAL 63 C 0.0102 -0.0023 0.0078 5015 VAL 63 O 0.0102 -0.0039 0.0079 5016 VAL 63 CB 0.0099 -0.0020 0.0057 5017 VAL 63 CG1 0.0101 -0.0016 0.0071 5018 VAL 63 CG2 0.0097 -0.0011 0.0041 5019 THR 64 N 0.0103 -0.0014 0.0090 5020 THR 64 CA 0.0106 -0.0022 0.0105 5021 THR 64 C 0.0108 -0.0012 0.0120 5022 THR 64 O 0.0108 0.0002 0.0124 5023 THR 64 CB 0.0106 -0.0021 0.0106 5024 THR 64 OG1 0.0106 -0.0003 0.0108 5025 THR 64 CG2 0.0104 -0.0027 0.0089 5026 ASN 65 N 0.0094 -0.0051 0.0130 5027 ASN 65 CA 0.0074 -0.0048 0.0122 5028 ASN 65 C 0.0074 -0.0050 0.0125 5029 ASN 65 O 0.0090 -0.0050 0.0128 5030 ASN 65 CB 0.0070 -0.0037 0.0103 5031 ASN 65 CG 0.0083 -0.0027 0.0088 5032 ASN 65 OD1 0.0091 -0.0027 0.0090 5033 ASN 65 ND2 0.0084 -0.0017 0.0073 5034 VAL 66 N 0.0055 -0.0051 0.0124 5035 VAL 66 CA 0.0054 -0.0050 0.0122 5036 VAL 66 C 0.0040 -0.0041 0.0105 5037 VAL 66 O 0.0026 -0.0039 0.0100 5038 VAL 66 CB 0.0045 -0.0061 0.0139 5039 VAL 66 CG1 0.0055 -0.0071 0.0156 5040 VAL 66 CG2 0.0021 -0.0064 0.0139 5041 GLY 67 N 0.0046 -0.0034 0.0095 5042 GLY 67 CA 0.0034 -0.0026 0.0079 5043 GLY 67 C 0.0033 -0.0016 0.0063 5044 GLY 67 O 0.0023 -0.0008 0.0049 5045 GLY 68 N 0.0042 -0.0016 0.0065 5046 GLY 68 CA 0.0038 -0.0009 0.0052 5047 GLY 68 C 0.0059 -0.0003 0.0046 5048 GLY 68 O 0.0076 -0.0006 0.0053 5049 ALA 69 N 0.0050 -0.0015 0.0039 5050 ALA 69 CA 0.0055 -0.0011 0.0038 5051 ALA 69 C 0.0059 -0.0011 0.0039 5052 ALA 69 O 0.0058 -0.0009 0.0038 5053 ALA 69 CB 0.0053 -0.0005 0.0037 5054 VAL 70 N 0.0064 -0.0013 0.0040 5055 VAL 70 CA 0.0068 -0.0014 0.0041 5056 VAL 70 C 0.0073 -0.0010 0.0040 5057 VAL 70 O 0.0075 -0.0010 0.0041 5058 VAL 70 CB 0.0070 -0.0019 0.0043 5059 VAL 70 CG1 0.0074 -0.0020 0.0043 5060 VAL 70 CG2 0.0065 -0.0023 0.0043 5061 VAL 71 N 0.0075 -0.0007 0.0040 5062 VAL 71 CA 0.0080 -0.0003 0.0040 5063 VAL 71 C 0.0084 -0.0006 0.0041 5064 VAL 71 O 0.0083 -0.0006 0.0041 5065 VAL 71 CB 0.0079 0.0002 0.0038 5066 VAL 71 CG1 0.0084 0.0006 0.0038 5067 VAL 71 CG2 0.0075 0.0005 0.0037 5068 THR 72 N 0.0089 -0.0007 0.0042 5069 THR 72 CA 0.0093 -0.0009 0.0043 5070 THR 72 C 0.0098 -0.0006 0.0043 5071 THR 72 O 0.0101 -0.0005 0.0043 5072 THR 72 CB 0.0094 -0.0015 0.0044 5073 THR 72 OG1 0.0096 -0.0015 0.0045 5074 THR 72 CG2 0.0089 -0.0019 0.0045 5075 GLY 73 N 0.0084 -0.0004 0.0054 5076 GLY 73 CA 0.0079 -0.0005 0.0055 5077 GLY 73 C 0.0078 -0.0009 0.0055 5078 GLY 73 O 0.0076 -0.0008 0.0055 5079 VAL 74 N 0.0079 -0.0014 0.0054 5080 VAL 74 CA 0.0078 -0.0018 0.0054 5081 VAL 74 C 0.0073 -0.0020 0.0054 5082 VAL 74 O 0.0071 -0.0020 0.0055 5083 VAL 74 CB 0.0082 -0.0022 0.0053 5084 VAL 74 CG1 0.0088 -0.0019 0.0052 5085 VAL 74 CG2 0.0082 -0.0026 0.0052 5086 THR 75 N 0.0070 -0.0022 0.0055 5087 THR 75 CA 0.0065 -0.0024 0.0055 5088 THR 75 C 0.0064 -0.0029 0.0055 5089 THR 75 O 0.0065 -0.0029 0.0055 5090 THR 75 CB 0.0061 -0.0020 0.0056 5091 THR 75 OG1 0.0062 -0.0016 0.0057 5092 THR 75 CG2 0.0055 -0.0022 0.0057 5093 ALA 76 N 0.0061 -0.0033 0.0055 5094 ALA 76 CA 0.0059 -0.0038 0.0055 5095 ALA 76 C 0.0064 -0.0040 0.0054 5096 ALA 76 O 0.0063 -0.0042 0.0054 5097 ALA 76 CB 0.0055 -0.0036 0.0056 5098 VAL 77 N 0.0056 -0.0044 0.0051 5099 VAL 77 CA 0.0055 -0.0044 0.0052 5100 VAL 77 C 0.0052 -0.0038 0.0046 5101 VAL 77 O 0.0046 -0.0033 0.0045 5102 VAL 77 CB 0.0050 -0.0046 0.0060 5103 VAL 77 CG1 0.0049 -0.0046 0.0061 5104 VAL 77 CG2 0.0053 -0.0053 0.0066 5105 ALA 78 N 0.0055 -0.0037 0.0042 5106 ALA 78 CA 0.0053 -0.0031 0.0036 5107 ALA 78 C 0.0054 -0.0031 0.0035 5108 ALA 78 O 0.0060 -0.0034 0.0031 5109 ALA 78 CB 0.0057 -0.0029 0.0029 5110 GLN 79 N 0.0048 -0.0028 0.0037 5111 GLN 79 CA 0.0048 -0.0028 0.0036 5112 GLN 79 C 0.0045 -0.0021 0.0030 5113 GLN 79 O 0.0041 -0.0017 0.0028 5114 GLN 79 CB 0.0045 -0.0030 0.0043 5115 GLN 79 CG 0.0036 -0.0027 0.0047 5116 GLN 79 CD 0.0033 -0.0030 0.0054 5117 GLN 79 OE1 0.0037 -0.0034 0.0056 5118 GLN 79 NE2 0.0026 -0.0027 0.0057 5119 LYS 80 N 0.0047 -0.0021 0.0027 5120 LYS 80 CA 0.0042 -0.0015 0.0023 5121 LYS 80 C 0.0040 -0.0015 0.0027 5122 LYS 80 O 0.0045 -0.0020 0.0029 5123 LYS 80 CB 0.0047 -0.0012 0.0015 5124 LYS 80 CG 0.0042 -0.0005 0.0010 5125 LYS 80 CD 0.0047 -0.0002 0.0002 5126 LYS 80 CE 0.0041 0.0004 -0.0002 5127 LYS 80 NZ 0.0045 0.0007 -0.0010 5128 THR 81 N 0.0034 -0.0021 0.0031 5129 THR 81 CA 0.0024 -0.0022 0.0041 5130 THR 81 C 0.0020 -0.0006 0.0041 5131 THR 81 O 0.0018 0.0006 0.0040 5132 THR 81 CB 0.0015 -0.0026 0.0052 5133 THR 81 OG1 0.0020 -0.0041 0.0052 5134 THR 81 CG2 0.0006 -0.0027 0.0063 5135 VAL 82 N 0.0020 -0.0006 0.0042 5136 VAL 82 CA 0.0014 0.0007 0.0044 5137 VAL 82 C 0.0003 0.0004 0.0057 5138 VAL 82 O 0.0002 -0.0007 0.0061 5139 VAL 82 CB 0.0021 0.0009 0.0036 5140 VAL 82 CG1 0.0015 0.0023 0.0039 5141 VAL 82 CG2 0.0032 0.0013 0.0023 5142 GLU 83 N -0.0005 0.0015 0.0063 5143 GLU 83 CA -0.0017 0.0015 0.0075 5144 GLU 83 C -0.0020 0.0000 0.0083 5145 GLU 83 O -0.0023 -0.0009 0.0089 5146 GLU 83 CB -0.0019 0.0018 0.0077 5147 GLU 83 CG -0.0018 0.0034 0.0071 5148 GLU 83 CD -0.0021 0.0037 0.0073 5149 GLU 83 OE1 -0.0023 0.0026 0.0079 5150 GLU 83 OE2 -0.0021 0.0050 0.0070 5151 GLY 84 N -0.0020 -0.0002 0.0084 5152 GLY 84 CA -0.0024 -0.0014 0.0092 5153 GLY 84 C -0.0023 -0.0014 0.0090 5154 GLY 84 O -0.0018 -0.0004 0.0082 5155 ALA 85 N 0.0001 -0.0009 0.0084 5156 ALA 85 CA 0.0004 -0.0010 0.0081 5157 ALA 85 C 0.0005 -0.0014 0.0076 5158 ALA 85 O 0.0001 -0.0017 0.0076 5159 ALA 85 CB 0.0002 -0.0011 0.0082 5160 GLY 86 N 0.0009 -0.0014 0.0073 5161 GLY 86 CA 0.0010 -0.0018 0.0069 5162 GLY 86 C 0.0013 -0.0020 0.0065 5163 GLY 86 O 0.0018 -0.0017 0.0064 5164 SER 87 N 0.0011 -0.0023 0.0063 5165 SER 87 CA 0.0013 -0.0026 0.0059 5166 SER 87 C 0.0013 -0.0029 0.0055 5167 SER 87 O 0.0009 -0.0033 0.0054 5168 SER 87 CB 0.0010 -0.0027 0.0060 5169 SER 87 OG 0.0010 -0.0023 0.0063 5170 ILE 88 N 0.0018 -0.0029 0.0053 5171 ILE 88 CA 0.0019 -0.0032 0.0049 5172 ILE 88 C 0.0018 -0.0036 0.0045 5173 ILE 88 O 0.0014 -0.0040 0.0044 5174 ILE 88 CB 0.0024 -0.0030 0.0047 5175 ILE 88 CG1 0.0024 -0.0027 0.0051 5176 ILE 88 CG2 0.0025 -0.0034 0.0043 5177 ILE 88 CD1 0.0029 -0.0024 0.0050 5178 ALA 89 N 0.0049 0.0048 0.0057 5179 ALA 89 CA 0.0048 0.0039 0.0050 5180 ALA 89 C 0.0043 0.0035 0.0043 5181 ALA 89 O 0.0047 0.0028 0.0042 5182 ALA 89 CB 0.0058 0.0031 0.0051 5183 ALA 90 N 0.0033 0.0039 0.0039 5184 ALA 90 CA 0.0027 0.0036 0.0033 5185 ALA 90 C 0.0021 0.0030 0.0025 5186 ALA 90 O 0.0018 0.0031 0.0025 5187 ALA 90 CB 0.0020 0.0045 0.0034 5188 ALA 91 N 0.0019 0.0023 0.0019 5189 ALA 91 CA 0.0013 0.0017 0.0011 5190 ALA 91 C 0.0008 0.0014 0.0005 5191 ALA 91 O 0.0012 0.0009 0.0005 5192 ALA 91 CB 0.0021 0.0008 0.0010 5193 THR 92 N -0.0002 0.0016 0.0000 5194 THR 92 CA -0.0008 0.0014 -0.0006 5195 THR 92 C -0.0014 0.0008 -0.0014 5196 THR 92 O -0.0017 0.0009 -0.0015 5197 THR 92 CB -0.0016 0.0023 -0.0005 5198 THR 92 OG1 -0.0023 0.0028 -0.0006 5199 THR 92 CG2 -0.0011 0.0029 0.0003 5200 GLY 93 N -0.0173 -0.0014 -0.0023 5201 GLY 93 CA -0.0205 -0.0025 -0.0101 5202 GLY 93 C -0.0257 -0.0006 -0.0124 5203 GLY 93 O -0.0311 0.0007 -0.0169 5204 PHE 94 N -0.0242 -0.0003 -0.0094 5205 PHE 94 CA -0.0285 0.0013 -0.0113 5206 PHE 94 C -0.0283 0.0037 -0.0044 5207 PHE 94 O -0.0228 0.0022 -0.0002 5208 PHE 94 CB -0.0259 -0.0023 -0.0175 5209 PHE 94 CG -0.0270 -0.0043 -0.0250 5210 PHE 94 CD1 -0.0332 -0.0028 -0.0299 5211 PHE 94 CD2 -0.0219 -0.0079 -0.0273 5212 PHE 94 CE1 -0.0343 -0.0047 -0.0368 5213 PHE 94 CE2 -0.0230 -0.0098 -0.0342 5214 PHE 94 CZ -0.0292 -0.0082 -0.0390 5215 VAL 95 N -0.0344 0.0074 -0.0031 5216 VAL 95 CA -0.0349 0.0097 0.0027 5217 VAL 95 C -0.0398 0.0111 -0.0009 5218 VAL 95 O -0.0459 0.0133 -0.0038 5219 VAL 95 CB -0.0377 0.0136 0.0095 5220 VAL 95 CG1 -0.0390 0.0163 0.0148 5221 VAL 95 CG2 -0.0326 0.0124 0.0135 5222 LYS 96 N -0.0372 0.0097 -0.0007 5223 LYS 96 CA -0.0412 0.0107 -0.0040 5224 LYS 96 C -0.0416 0.0130 0.0019 5225 LYS 96 O -0.0386 0.0138 0.0084 5226 LYS 96 CB -0.0379 0.0066 -0.0105 5227 LYS 96 CG -0.0381 0.0044 -0.0171 5228 LYS 96 CD -0.0453 0.0066 -0.0216 5229 LYS 96 CE -0.0455 0.0044 -0.0281 5230 LYS 96 NZ -0.0418 0.0003 -0.0340 5231 LYS 97 N -0.0520 -0.0052 0.0058 5232 LYS 97 CA -0.0487 -0.0131 0.0102 5233 LYS 97 C -0.0395 -0.0121 0.0097 5234 LYS 97 O -0.0380 -0.0062 0.0064 5235 LYS 97 CB -0.0555 -0.0173 0.0126 5236 LYS 97 CG -0.0532 -0.0258 0.0174 5237 LYS 97 CD -0.0536 -0.0312 0.0204 5238 LYS 97 CE -0.0510 -0.0396 0.0251 5239 LYS 97 NZ -0.0577 -0.0432 0.0271 5240 ASP 98 N -0.0335 -0.0178 0.0129 5241 ASP 98 CA -0.0247 -0.0182 0.0131 5242 ASP 98 C -0.0232 -0.0269 0.0180 5243 ASP 98 O -0.0291 -0.0320 0.0208 5244 ASP 98 CB -0.0172 -0.0149 0.0112 5245 ASP 98 CG -0.0086 -0.0125 0.0099 5246 ASP 98 OD1 -0.0084 -0.0138 0.0107 5247 ASP 98 OD2 -0.0022 -0.0094 0.0082 5248 GLN 99 N -0.0154 -0.0286 0.0189 5249 GLN 99 CA -0.0129 -0.0366 0.0235 5250 GLN 99 C -0.0115 -0.0421 0.0265 5251 GLN 99 O -0.0152 -0.0486 0.0301 5252 GLN 99 CB -0.0043 -0.0365 0.0234 5253 GLN 99 CG -0.0015 -0.0446 0.0279 5254 GLN 99 CD 0.0070 -0.0443 0.0277 5255 GLN 99 OE1 0.0110 -0.0379 0.0242 5256 GLN 99 NE2 0.0098 -0.0510 0.0315