1 VAL 37 N 0.0262 0.0292 0.0027 2 VAL 37 CA 0.0284 0.0239 0.0005 3 VAL 37 C 0.0212 0.0194 0.0013 4 VAL 37 O 0.0206 0.0162 0.0005 5 VAL 37 CB 0.0327 0.0278 0.0003 6 VAL 37 CG1 0.0406 0.0301 -0.0014 7 VAL 37 CG2 0.0291 0.0347 0.0035 8 LEU 38 N 0.0158 0.0190 0.0028 9 LEU 38 CA 0.0086 0.0150 0.0038 10 LEU 38 C 0.0092 0.0066 0.0011 11 LEU 38 O 0.0063 0.0029 0.0008 12 LEU 38 CB 0.0030 0.0170 0.0061 13 LEU 38 CG -0.0018 0.0236 0.0095 14 LEU 38 CD1 -0.0076 0.0224 0.0109 15 LEU 38 CD2 0.0028 0.0310 0.0103 16 TYR 39 N 0.0129 0.0037 -0.0009 17 TYR 39 CA 0.0144 -0.0041 -0.0037 18 TYR 39 C 0.0073 -0.0093 -0.0031 19 TYR 39 O 0.0059 -0.0139 -0.0040 20 TYR 39 CB 0.0198 -0.0064 -0.0060 21 TYR 39 CG 0.0277 -0.0029 -0.0073 22 TYR 39 CD1 0.0326 -0.0057 -0.0097 23 TYR 39 CD2 0.0302 0.0032 -0.0063 24 TYR 39 CE1 0.0399 -0.0026 -0.0109 25 TYR 39 CE2 0.0374 0.0064 -0.0075 26 TYR 39 CZ 0.0422 0.0035 -0.0098 27 TYR 39 OH 0.0493 0.0066 -0.0110 28 VAL 40 N 0.0027 -0.0086 -0.0015 29 VAL 40 CA -0.0042 -0.0134 -0.0008 30 VAL 40 C -0.0025 -0.0211 -0.0037 31 VAL 40 O -0.0059 -0.0267 -0.0043 32 VAL 40 CB -0.0095 -0.0098 0.0018 33 VAL 40 CG1 -0.0167 -0.0148 0.0025 34 VAL 40 CG2 -0.0112 -0.0022 0.0046 35 GLY 41 N 0.0102 -0.0271 -0.0074 36 GLY 41 CA 0.0099 -0.0265 -0.0065 37 GLY 41 C 0.0092 -0.0265 -0.0058 38 GLY 41 O 0.0084 -0.0266 -0.0052 39 SER 42 N 0.0093 -0.0264 -0.0058 40 SER 42 CA 0.0085 -0.0265 -0.0053 41 SER 42 C 0.0082 -0.0259 -0.0042 42 SER 42 O 0.0073 -0.0261 -0.0038 43 SER 42 CB 0.0089 -0.0265 -0.0055 44 SER 42 OG 0.0082 -0.0266 -0.0050 45 LYS 43 N 0.0089 -0.0252 -0.0039 46 LYS 43 CA 0.0086 -0.0246 -0.0029 47 LYS 43 C 0.0095 -0.0239 -0.0028 48 LYS 43 O 0.0103 -0.0235 -0.0030 49 LYS 43 CB 0.0083 -0.0243 -0.0022 50 LYS 43 CG 0.0079 -0.0237 -0.0012 51 LYS 43 CD 0.0075 -0.0234 -0.0005 52 LYS 43 CE 0.0070 -0.0230 0.0005 53 LYS 43 NZ 0.0077 -0.0222 0.0008 54 THR 44 N 0.0095 -0.0238 -0.0026 55 THR 44 CA 0.0102 -0.0232 -0.0024 56 THR 44 C 0.0098 -0.0227 -0.0015 57 THR 44 O 0.0089 -0.0230 -0.0012 58 THR 44 CB 0.0107 -0.0234 -0.0031 59 THR 44 OG1 0.0100 -0.0239 -0.0031 60 THR 44 CG2 0.0111 -0.0239 -0.0041 61 LYS 45 N 0.0086 -0.0100 0.0036 62 LYS 45 CA 0.0083 -0.0089 0.0041 63 LYS 45 C 0.0093 -0.0086 0.0046 64 LYS 45 O 0.0096 -0.0086 0.0047 65 LYS 45 CB 0.0075 -0.0087 0.0039 66 LYS 45 CG 0.0071 -0.0077 0.0044 67 LYS 45 CD 0.0061 -0.0076 0.0041 68 LYS 45 CE 0.0057 -0.0065 0.0046 69 LYS 45 NZ 0.0047 -0.0063 0.0044 70 GLU 46 N 0.0098 -0.0082 0.0050 71 GLU 46 CA 0.0109 -0.0080 0.0055 72 GLU 46 C 0.0111 -0.0071 0.0060 73 GLU 46 O 0.0110 -0.0069 0.0061 74 GLU 46 CB 0.0116 -0.0089 0.0052 75 GLU 46 CG 0.0115 -0.0092 0.0050 76 GLU 46 CD 0.0121 -0.0101 0.0047 77 GLU 46 OE1 0.0126 -0.0105 0.0046 78 GLU 46 OE2 0.0121 -0.0105 0.0045 79 GLY 47 N 0.0114 -0.0065 0.0065 80 GLY 47 CA 0.0115 -0.0056 0.0071 81 GLY 47 C 0.0105 -0.0049 0.0071 82 GLY 47 O 0.0103 -0.0043 0.0074 83 VAL 48 N 0.0099 -0.0049 0.0069 84 VAL 48 CA 0.0089 -0.0044 0.0068 85 VAL 48 C 0.0088 -0.0037 0.0072 86 VAL 48 O 0.0092 -0.0040 0.0072 87 VAL 48 CB 0.0081 -0.0051 0.0062 88 VAL 48 CG1 0.0070 -0.0046 0.0061 89 VAL 48 CG2 0.0082 -0.0058 0.0058 90 VAL 49 N 0.0081 -0.0007 0.0080 91 VAL 49 CA 0.0079 -0.0008 0.0074 92 VAL 49 C 0.0083 -0.0008 0.0074 93 VAL 49 O 0.0089 -0.0008 0.0074 94 VAL 49 CB 0.0080 -0.0008 0.0069 95 VAL 49 CG1 0.0079 -0.0008 0.0063 96 VAL 49 CG2 0.0075 -0.0008 0.0069 97 HIS 50 N 0.0080 -0.0008 0.0074 98 HIS 50 CA 0.0084 -0.0008 0.0073 99 HIS 50 C 0.0081 -0.0008 0.0069 100 HIS 50 O 0.0076 -0.0008 0.0070 101 HIS 50 CB 0.0086 -0.0008 0.0079 102 HIS 50 CG 0.0082 -0.0007 0.0083 103 HIS 50 ND1 0.0080 -0.0007 0.0083 104 HIS 50 CD2 0.0079 -0.0007 0.0088 105 HIS 50 CE1 0.0076 -0.0007 0.0087 106 HIS 50 NE2 0.0075 -0.0006 0.0090 107 GLY 51 N 0.0085 -0.0009 0.0065 108 GLY 51 CA 0.0082 -0.0009 0.0062 109 GLY 51 C 0.0079 -0.0009 0.0056 110 GLY 51 O 0.0073 -0.0009 0.0056 111 VAL 52 N 0.0082 -0.0009 0.0052 112 VAL 52 CA 0.0079 -0.0010 0.0047 113 VAL 52 C 0.0082 -0.0010 0.0041 114 VAL 52 O 0.0087 -0.0011 0.0040 115 VAL 52 CB 0.0079 -0.0010 0.0047 116 VAL 52 CG1 0.0076 -0.0010 0.0041 117 VAL 52 CG2 0.0075 -0.0009 0.0052 118 ALA 53 N 0.0076 -0.0022 0.0016 119 ALA 53 CA 0.0078 -0.0016 0.0004 120 ALA 53 C 0.0075 -0.0016 -0.0001 121 ALA 53 O 0.0067 -0.0020 0.0001 122 ALA 53 CB 0.0071 -0.0017 -0.0004 123 THR 54 N 0.0083 -0.0010 -0.0008 124 THR 54 CA 0.0082 -0.0009 -0.0013 125 THR 54 C 0.0086 -0.0002 -0.0025 126 THR 54 O 0.0096 0.0003 -0.0027 127 THR 54 CB 0.0089 -0.0008 -0.0004 128 THR 54 OG1 0.0085 -0.0014 0.0008 129 THR 54 CG2 0.0088 -0.0007 -0.0009 130 VAL 55 N 0.0079 -0.0002 -0.0034 131 VAL 55 CA 0.0081 0.0003 -0.0046 132 VAL 55 C 0.0080 0.0004 -0.0049 133 VAL 55 O 0.0071 -0.0001 -0.0048 134 VAL 55 CB 0.0074 0.0003 -0.0056 135 VAL 55 CG1 0.0076 0.0009 -0.0068 136 VAL 55 CG2 0.0076 0.0003 -0.0053 137 ALA 56 N 0.0089 0.0009 -0.0053 138 ALA 56 CA 0.0088 0.0010 -0.0056 139 ALA 56 C 0.0092 0.0016 -0.0069 140 ALA 56 O 0.0103 0.0021 -0.0070 141 ALA 56 CB 0.0096 0.0010 -0.0047 142 GLU 57 N 0.0054 0.0058 -0.0086 143 GLU 57 CA 0.0053 0.0050 -0.0079 144 GLU 57 C 0.0047 0.0040 -0.0066 145 GLU 57 O 0.0053 0.0029 -0.0064 146 GLU 57 CB 0.0066 0.0042 -0.0087 147 GLU 57 CG 0.0072 0.0051 -0.0100 148 GLU 57 CD 0.0085 0.0042 -0.0107 149 GLU 57 OE1 0.0090 0.0029 -0.0102 150 GLU 57 OE2 0.0091 0.0049 -0.0117 151 LYS 58 N 0.0035 0.0043 -0.0056 152 LYS 58 CA 0.0027 0.0036 -0.0043 153 LYS 58 C 0.0022 0.0031 -0.0034 154 LYS 58 O 0.0014 0.0040 -0.0032 155 LYS 58 CB 0.0016 0.0045 -0.0038 156 LYS 58 CG 0.0021 0.0048 -0.0045 157 LYS 58 CD 0.0010 0.0057 -0.0040 158 LYS 58 CE 0.0014 0.0060 -0.0047 159 LYS 58 NZ 0.0003 0.0069 -0.0042 160 THR 59 N 0.0027 0.0016 -0.0029 161 THR 59 CA 0.0024 0.0011 -0.0022 162 THR 59 C 0.0010 0.0012 -0.0008 163 THR 59 O 0.0003 0.0015 -0.0003 164 THR 59 CB 0.0033 -0.0005 -0.0020 165 THR 59 OG1 0.0046 -0.0005 -0.0033 166 THR 59 CG2 0.0031 -0.0011 -0.0013 167 LYS 60 N 0.0006 0.0010 -0.0003 168 LYS 60 CA -0.0007 0.0012 0.0009 169 LYS 60 C -0.0012 0.0017 0.0010 170 LYS 60 O -0.0006 0.0009 0.0011 171 LYS 60 CB -0.0009 -0.0002 0.0021 172 LYS 60 CG -0.0023 -0.0000 0.0034 173 LYS 60 CD -0.0024 -0.0014 0.0045 174 LYS 60 CE -0.0037 -0.0012 0.0058 175 LYS 60 NZ -0.0038 -0.0026 0.0069 176 GLU 61 N -0.0078 0.0083 0.0020 177 GLU 61 CA -0.0081 0.0088 0.0017 178 GLU 61 C -0.0099 0.0094 0.0036 179 GLU 61 O -0.0114 0.0108 0.0037 180 GLU 61 CB -0.0082 0.0103 -0.0005 181 GLU 61 CG -0.0085 0.0107 -0.0008 182 GLU 61 CD -0.0085 0.0122 -0.0031 183 GLU 61 OE1 -0.0083 0.0128 -0.0045 184 GLU 61 OE2 -0.0088 0.0127 -0.0036 185 GLN 62 N -0.0097 0.0083 0.0051 186 GLN 62 CA -0.0113 0.0086 0.0070 187 GLN 62 C -0.0114 0.0087 0.0071 188 GLN 62 O -0.0101 0.0074 0.0072 189 GLN 62 CB -0.0111 0.0071 0.0091 190 GLN 62 CG -0.0127 0.0074 0.0112 191 GLN 62 CD -0.0125 0.0059 0.0133 192 GLN 62 OE1 -0.0111 0.0047 0.0131 193 GLN 62 NE2 -0.0139 0.0061 0.0152 194 VAL 63 N -0.0130 0.0103 0.0070 195 VAL 63 CA -0.0133 0.0105 0.0071 196 VAL 63 C -0.0152 0.0111 0.0089 197 VAL 63 O -0.0167 0.0127 0.0087 198 VAL 63 CB -0.0134 0.0119 0.0049 199 VAL 63 CG1 -0.0138 0.0121 0.0050 200 VAL 63 CG2 -0.0115 0.0113 0.0030 201 THR 64 N -0.0151 0.0099 0.0109 202 THR 64 CA -0.0168 0.0103 0.0128 203 THR 64 C -0.0168 0.0098 0.0137 204 THR 64 O -0.0157 0.0081 0.0147 205 THR 64 CB -0.0170 0.0093 0.0147 206 THR 64 OG1 -0.0156 0.0075 0.0157 207 THR 64 CG2 -0.0168 0.0096 0.0139 208 ASN 65 N -0.0168 0.0116 0.0136 209 ASN 65 CA -0.0146 0.0108 0.0135 210 ASN 65 C -0.0150 0.0115 0.0148 211 ASN 65 O -0.0172 0.0123 0.0152 212 ASN 65 CB -0.0139 0.0095 0.0107 213 ASN 65 CG -0.0158 0.0093 0.0089 214 ASN 65 OD1 -0.0171 0.0100 0.0096 215 ASN 65 ND2 -0.0157 0.0083 0.0064 216 VAL 66 N -0.0128 0.0111 0.0154 217 VAL 66 CA -0.0131 0.0114 0.0161 218 VAL 66 C -0.0115 0.0102 0.0144 219 VAL 66 O -0.0095 0.0093 0.0136 220 VAL 66 CB -0.0122 0.0123 0.0190 221 VAL 66 CG1 -0.0133 0.0134 0.0207 222 VAL 66 CG2 -0.0093 0.0117 0.0196 223 GLY 67 N -0.0126 0.0102 0.0135 224 GLY 67 CA -0.0113 0.0092 0.0120 225 GLY 67 C -0.0109 0.0079 0.0093 226 GLY 67 O -0.0098 0.0070 0.0079 227 GLY 68 N -0.0116 0.0079 0.0086 228 GLY 68 CA -0.0109 0.0067 0.0063 229 GLY 68 C -0.0133 0.0068 0.0047 230 GLY 68 O -0.0155 0.0077 0.0054 231 ALA 69 N -0.0120 0.0026 0.0021 232 ALA 69 CA -0.0120 0.0030 0.0016 233 ALA 69 C -0.0110 0.0029 0.0014 234 ALA 69 O -0.0104 0.0031 0.0009 235 ALA 69 CB -0.0124 0.0036 0.0008 236 VAL 70 N -0.0108 0.0027 0.0016 237 VAL 70 CA -0.0098 0.0026 0.0015 238 VAL 70 C -0.0098 0.0031 0.0009 239 VAL 70 O -0.0104 0.0031 0.0010 240 VAL 70 CB -0.0095 0.0020 0.0023 241 VAL 70 CG1 -0.0086 0.0019 0.0022 242 VAL 70 CG2 -0.0094 0.0016 0.0029 243 VAL 71 N -0.0091 0.0034 0.0003 244 VAL 71 CA -0.0089 0.0037 -0.0003 245 VAL 71 C -0.0080 0.0034 -0.0001 246 VAL 71 O -0.0072 0.0033 -0.0000 247 VAL 71 CB -0.0088 0.0043 -0.0011 248 VAL 71 CG1 -0.0085 0.0047 -0.0017 249 VAL 71 CG2 -0.0097 0.0046 -0.0013 250 THR 72 N -0.0080 0.0033 0.0001 251 THR 72 CA -0.0072 0.0031 0.0003 252 THR 72 C -0.0070 0.0034 -0.0003 253 THR 72 O -0.0076 0.0036 -0.0003 254 THR 72 CB -0.0074 0.0025 0.0012 255 THR 72 OG1 -0.0082 0.0026 0.0012 256 THR 72 CG2 -0.0076 0.0021 0.0018 257 GLY 73 N 0.0001 -0.0012 -0.0007 258 GLY 73 CA 0.0002 -0.0013 0.0001 259 GLY 73 C 0.0005 -0.0018 0.0007 260 GLY 73 O 0.0008 -0.0023 0.0009 261 VAL 74 N 0.0004 -0.0016 0.0009 262 VAL 74 CA 0.0006 -0.0020 0.0015 263 VAL 74 C 0.0005 -0.0016 0.0023 264 VAL 74 O 0.0001 -0.0010 0.0024 265 VAL 74 CB 0.0006 -0.0020 0.0012 266 VAL 74 CG1 0.0007 -0.0022 0.0003 267 VAL 74 CG2 0.0002 -0.0013 0.0015 268 THR 75 N 0.0008 -0.0020 0.0030 269 THR 75 CA 0.0006 -0.0018 0.0038 270 THR 75 C 0.0009 -0.0022 0.0044 271 THR 75 O 0.0013 -0.0028 0.0043 272 THR 75 CB 0.0008 -0.0020 0.0040 273 THR 75 OG1 0.0006 -0.0017 0.0034 274 THR 75 CG2 0.0006 -0.0017 0.0049 275 ALA 76 N 0.0006 -0.0017 0.0050 276 ALA 76 CA 0.0008 -0.0020 0.0058 277 ALA 76 C 0.0011 -0.0023 0.0055 278 ALA 76 O 0.0014 -0.0029 0.0058 279 ALA 76 CB 0.0012 -0.0025 0.0063 280 VAL 77 N 0.0050 -0.0090 0.0048 281 VAL 77 CA 0.0050 -0.0093 0.0042 282 VAL 77 C 0.0046 -0.0084 0.0049 283 VAL 77 O 0.0039 -0.0073 0.0050 284 VAL 77 CB 0.0044 -0.0094 0.0026 285 VAL 77 CG1 0.0044 -0.0097 0.0020 286 VAL 77 CG2 0.0048 -0.0103 0.0020 287 ALA 78 N 0.0050 -0.0088 0.0053 288 ALA 78 CA 0.0047 -0.0079 0.0061 289 ALA 78 C 0.0049 -0.0084 0.0059 290 ALA 78 O 0.0057 -0.0092 0.0065 291 ALA 78 CB 0.0051 -0.0077 0.0076 292 GLN 79 N 0.0043 -0.0078 0.0052 293 GLN 79 CA 0.0044 -0.0082 0.0049 294 GLN 79 C 0.0040 -0.0072 0.0056 295 GLN 79 O 0.0035 -0.0062 0.0060 296 GLN 79 CB 0.0041 -0.0085 0.0034 297 GLN 79 CG 0.0031 -0.0075 0.0027 298 GLN 79 CD 0.0029 -0.0079 0.0012 299 GLN 79 OE1 0.0034 -0.0089 0.0007 300 GLN 79 NE2 0.0020 -0.0071 0.0004 301 LYS 80 N 0.0043 -0.0075 0.0057 302 LYS 80 CA 0.0038 -0.0066 0.0061 303 LYS 80 C 0.0037 -0.0070 0.0051 304 LYS 80 O 0.0042 -0.0080 0.0046 305 LYS 80 CB 0.0043 -0.0065 0.0075 306 LYS 80 CG 0.0037 -0.0055 0.0080 307 LYS 80 CD 0.0042 -0.0054 0.0094 308 LYS 80 CE 0.0036 -0.0043 0.0097 309 LYS 80 NZ 0.0040 -0.0042 0.0111 310 THR 81 N 0.0018 -0.0067 0.0048 311 THR 81 CA -0.0005 -0.0066 0.0030 312 THR 81 C -0.0016 -0.0031 0.0037 313 THR 81 O -0.0026 -0.0008 0.0039 314 THR 81 CB -0.0029 -0.0079 0.0006 315 THR 81 OG1 -0.0017 -0.0112 0.0000 316 THR 81 CG2 -0.0052 -0.0079 -0.0012 317 VAL 82 N -0.0016 -0.0026 0.0039 318 VAL 82 CA -0.0030 0.0005 0.0042 319 VAL 82 C -0.0057 0.0000 0.0018 320 VAL 82 O -0.0056 -0.0022 0.0009 321 VAL 82 CB -0.0010 0.0015 0.0062 322 VAL 82 CG1 -0.0027 0.0046 0.0062 323 VAL 82 CG2 0.0016 0.0022 0.0085 324 GLU 83 N -0.0081 0.0021 0.0008 325 GLU 83 CA -0.0110 0.0021 -0.0015 326 GLU 83 C -0.0117 -0.0012 -0.0035 327 GLU 83 O -0.0121 -0.0030 -0.0046 328 GLU 83 CB -0.0113 0.0033 -0.0013 329 GLU 83 CG -0.0112 0.0069 0.0004 330 GLU 83 CD -0.0116 0.0080 0.0006 331 GLU 83 OE1 -0.0119 0.0059 -0.0006 332 GLU 83 OE2 -0.0117 0.0110 0.0018 333 GLY 84 N -0.0118 -0.0021 -0.0040 334 GLY 84 CA -0.0127 -0.0051 -0.0061 335 GLY 84 C -0.0127 -0.0056 -0.0062 336 GLY 84 O -0.0118 -0.0037 -0.0047 337 ALA 85 N -0.0091 -0.0050 -0.0077 338 ALA 85 CA -0.0089 -0.0048 -0.0074 339 ALA 85 C -0.0083 -0.0062 -0.0065 340 ALA 85 O -0.0086 -0.0076 -0.0067 341 ALA 85 CB -0.0098 -0.0048 -0.0085 342 GLY 86 N -0.0076 -0.0059 -0.0055 343 GLY 86 CA -0.0070 -0.0071 -0.0046 344 GLY 86 C -0.0068 -0.0072 -0.0043 345 GLY 86 O -0.0062 -0.0061 -0.0037 346 SER 87 N -0.0072 -0.0084 -0.0047 347 SER 87 CA -0.0070 -0.0085 -0.0045 348 SER 87 C -0.0064 -0.0099 -0.0036 349 SER 87 O -0.0068 -0.0113 -0.0039 350 SER 87 CB -0.0080 -0.0088 -0.0057 351 SER 87 OG -0.0085 -0.0075 -0.0065 352 ILE 88 N -0.0055 -0.0096 -0.0024 353 ILE 88 CA -0.0049 -0.0108 -0.0014 354 ILE 88 C -0.0050 -0.0119 -0.0015 355 ILE 88 O -0.0053 -0.0134 -0.0016 356 ILE 88 CB -0.0038 -0.0101 -0.0001 357 ILE 88 CG1 -0.0036 -0.0093 0.0000 358 ILE 88 CG2 -0.0031 -0.0113 0.0010 359 ILE 88 CD1 -0.0027 -0.0083 0.0011 360 ALA 89 N -0.0076 -0.0013 -0.0044 361 ALA 89 CA -0.0075 -0.0010 -0.0038 362 ALA 89 C -0.0069 -0.0008 -0.0039 363 ALA 89 O -0.0063 -0.0005 -0.0038 364 ALA 89 CB -0.0074 -0.0007 -0.0032 365 ALA 90 N -0.0070 -0.0010 -0.0042 366 ALA 90 CA -0.0065 -0.0008 -0.0044 367 ALA 90 C -0.0066 -0.0007 -0.0038 368 ALA 90 O -0.0072 -0.0008 -0.0035 369 ALA 90 CB -0.0065 -0.0012 -0.0051 370 ALA 91 N -0.0060 -0.0004 -0.0037 371 ALA 91 CA -0.0061 -0.0002 -0.0032 372 ALA 91 C -0.0055 -0.0001 -0.0034 373 ALA 91 O -0.0049 0.0001 -0.0035 374 ALA 91 CB -0.0061 0.0001 -0.0025 375 THR 92 N -0.0057 -0.0002 -0.0036 376 THR 92 CA -0.0051 -0.0001 -0.0038 377 THR 92 C -0.0052 0.0001 -0.0032 378 THR 92 O -0.0058 -0.0000 -0.0030 379 THR 92 CB -0.0052 -0.0004 -0.0045 380 THR 92 OG1 -0.0059 -0.0007 -0.0045 381 THR 92 CG2 -0.0052 -0.0006 -0.0051 382 GLY 93 N -0.0007 0.0047 -0.0041 383 GLY 93 CA -0.0006 0.0054 -0.0030 384 GLY 93 C -0.0004 0.0056 -0.0023 385 GLY 93 O -0.0008 0.0065 -0.0017 386 PHE 94 N 0.0001 0.0049 -0.0024 387 PHE 94 CA 0.0004 0.0051 -0.0018 388 PHE 94 C 0.0005 0.0045 -0.0024 389 PHE 94 O 0.0008 0.0036 -0.0030 390 PHE 94 CB 0.0012 0.0048 -0.0008 391 PHE 94 CG 0.0012 0.0054 0.0001 392 PHE 94 CD1 0.0010 0.0062 0.0009 393 PHE 94 CD2 0.0013 0.0053 0.0000 394 PHE 94 CE1 0.0009 0.0068 0.0016 395 PHE 94 CE2 0.0012 0.0058 0.0008 396 PHE 94 CZ 0.0011 0.0066 0.0016 397 VAL 95 N 0.0002 0.0049 -0.0024 398 VAL 95 CA 0.0004 0.0043 -0.0028 399 VAL 95 C 0.0007 0.0046 -0.0020 400 VAL 95 O 0.0002 0.0054 -0.0016 401 VAL 95 CB -0.0004 0.0045 -0.0038 402 VAL 95 CG1 -0.0002 0.0041 -0.0042 403 VAL 95 CG2 -0.0006 0.0042 -0.0047 404 LYS 96 N 0.0014 0.0039 -0.0017 405 LYS 96 CA 0.0018 0.0040 -0.0009 406 LYS 96 C 0.0020 0.0035 -0.0014 407 LYS 96 O 0.0019 0.0029 -0.0023 408 LYS 96 CB 0.0026 0.0038 0.0001 409 LYS 96 CG 0.0024 0.0044 0.0007 410 LYS 96 CD 0.0020 0.0053 0.0014 411 LYS 96 CE 0.0018 0.0060 0.0020 412 LYS 96 NZ 0.0026 0.0056 0.0028 413 LYS 97 N 0.0026 0.0125 0.0017 414 LYS 97 CA 0.0030 0.0116 0.0015 415 LYS 97 C 0.0042 0.0117 0.0022 416 LYS 97 O 0.0044 0.0126 0.0028 417 LYS 97 CB 0.0023 0.0116 0.0011 418 LYS 97 CG 0.0026 0.0106 0.0009 419 LYS 97 CD 0.0024 0.0095 0.0003 420 LYS 97 CE 0.0027 0.0084 0.0001 421 LYS 97 NZ 0.0020 0.0086 -0.0003 422 ASP 98 N 0.0049 0.0107 0.0022 423 ASP 98 CA 0.0060 0.0106 0.0029 424 ASP 98 C 0.0062 0.0096 0.0026 425 ASP 98 O 0.0054 0.0090 0.0019 426 ASP 98 CB 0.0068 0.0104 0.0033 427 ASP 98 CG 0.0079 0.0107 0.0040 428 ASP 98 OD1 0.0080 0.0110 0.0042 429 ASP 98 OD2 0.0086 0.0107 0.0044 430 GLN 99 N 0.0072 0.0093 0.0030 431 GLN 99 CA 0.0075 0.0084 0.0028 432 GLN 99 C 0.0075 0.0072 0.0024 433 GLN 99 O 0.0071 0.0065 0.0018 434 GLN 99 CB 0.0086 0.0085 0.0035 435 GLN 99 CG 0.0090 0.0075 0.0034 436 GLN 99 CD 0.0101 0.0076 0.0040 437 GLN 99 OE1 0.0106 0.0084 0.0047 438 GLN 99 NE2 0.0104 0.0069 0.0040 439 VAL 37 N 0.0202 0.0158 0.0014 440 VAL 37 CA 0.0216 0.0113 -0.0006 441 VAL 37 C 0.0157 0.0077 0.0001 442 VAL 37 O 0.0150 0.0050 -0.0006 443 VAL 37 CB 0.0249 0.0143 -0.0007 444 VAL 37 CG1 0.0313 0.0162 -0.0022 445 VAL 37 CG2 0.0220 0.0197 0.0022 446 LEU 38 N 0.0116 0.0076 0.0015 447 LEU 38 CA 0.0057 0.0044 0.0024 448 LEU 38 C 0.0060 -0.0023 -0.0001 449 LEU 38 O 0.0035 -0.0054 -0.0004 450 LEU 38 CB 0.0015 0.0061 0.0044 451 LEU 38 CG -0.0022 0.0114 0.0075 452 LEU 38 CD1 -0.0070 0.0102 0.0088 453 LEU 38 CD2 0.0016 0.0172 0.0083 454 TYR 39 N 0.0091 -0.0045 -0.0019 455 TYR 39 CA 0.0102 -0.0107 -0.0045 456 TYR 39 C 0.0044 -0.0148 -0.0040 457 TYR 39 O 0.0030 -0.0185 -0.0048 458 TYR 39 CB 0.0142 -0.0126 -0.0066 459 TYR 39 CG 0.0206 -0.0098 -0.0077 460 TYR 39 CD1 0.0246 -0.0119 -0.0099 461 TYR 39 CD2 0.0225 -0.0051 -0.0067 462 TYR 39 CE1 0.0305 -0.0094 -0.0110 463 TYR 39 CE2 0.0283 -0.0026 -0.0078 464 TYR 39 CZ 0.0323 -0.0048 -0.0099 465 TYR 39 OH 0.0381 -0.0022 -0.0110 466 VAL 40 N 0.0010 -0.0140 -0.0025 467 VAL 40 CA -0.0046 -0.0178 -0.0020 468 VAL 40 C -0.0033 -0.0239 -0.0046 469 VAL 40 O -0.0062 -0.0284 -0.0052 470 VAL 40 CB -0.0086 -0.0148 0.0004 471 VAL 40 CG1 -0.0143 -0.0187 0.0010 472 VAL 40 CG2 -0.0099 -0.0089 0.0030 473 GLY 41 N 0.0101 -0.0274 -0.0070 474 GLY 41 CA 0.0097 -0.0262 -0.0062 475 GLY 41 C 0.0084 -0.0259 -0.0062 476 GLY 41 O 0.0074 -0.0252 -0.0059 477 SER 42 N 0.0082 -0.0265 -0.0067 478 SER 42 CA 0.0069 -0.0266 -0.0070 479 SER 42 C 0.0063 -0.0254 -0.0062 480 SER 42 O 0.0050 -0.0251 -0.0062 481 SER 42 CB 0.0071 -0.0274 -0.0075 482 SER 42 OG 0.0058 -0.0274 -0.0078 483 LYS 43 N 0.0072 -0.0247 -0.0055 484 LYS 43 CA 0.0068 -0.0235 -0.0047 485 LYS 43 C 0.0082 -0.0229 -0.0040 486 LYS 43 O 0.0091 -0.0232 -0.0041 487 LYS 43 CB 0.0060 -0.0233 -0.0047 488 LYS 43 CG 0.0054 -0.0220 -0.0038 489 LYS 43 CD 0.0045 -0.0218 -0.0038 490 LYS 43 CE 0.0038 -0.0206 -0.0030 491 LYS 43 NZ 0.0049 -0.0197 -0.0022 492 THR 44 N 0.0084 -0.0221 -0.0034 493 THR 44 CA 0.0095 -0.0214 -0.0027 494 THR 44 C 0.0089 -0.0202 -0.0019 495 THR 44 O 0.0078 -0.0199 -0.0018 496 THR 44 CB 0.0105 -0.0216 -0.0027 497 THR 44 OG1 0.0098 -0.0213 -0.0025 498 THR 44 CG2 0.0111 -0.0229 -0.0035 499 LYS 45 N 0.0077 -0.0080 0.0023 500 LYS 45 CA 0.0074 -0.0070 0.0030 501 LYS 45 C 0.0085 -0.0066 0.0034 502 LYS 45 O 0.0089 -0.0065 0.0035 503 LYS 45 CB 0.0067 -0.0068 0.0031 504 LYS 45 CG 0.0062 -0.0059 0.0037 505 LYS 45 CD 0.0053 -0.0057 0.0038 506 LYS 45 CE 0.0048 -0.0048 0.0044 507 LYS 45 NZ 0.0039 -0.0046 0.0044 508 GLU 46 N 0.0089 -0.0063 0.0037 509 GLU 46 CA 0.0100 -0.0060 0.0039 510 GLU 46 C 0.0101 -0.0053 0.0045 511 GLU 46 O 0.0099 -0.0053 0.0045 512 GLU 46 CB 0.0107 -0.0068 0.0035 513 GLU 46 CG 0.0104 -0.0073 0.0031 514 GLU 46 CD 0.0111 -0.0081 0.0025 515 GLU 46 OE1 0.0117 -0.0083 0.0024 516 GLU 46 OE2 0.0110 -0.0086 0.0022 517 GLY 47 N 0.0105 -0.0046 0.0051 518 GLY 47 CA 0.0105 -0.0038 0.0057 519 GLY 47 C 0.0095 -0.0032 0.0060 520 GLY 47 O 0.0092 -0.0028 0.0062 521 VAL 48 N 0.0090 -0.0032 0.0060 522 VAL 48 CA 0.0079 -0.0028 0.0061 523 VAL 48 C 0.0079 -0.0020 0.0067 524 VAL 48 O 0.0084 -0.0021 0.0067 525 VAL 48 CB 0.0072 -0.0035 0.0055 526 VAL 48 CG1 0.0060 -0.0031 0.0057 527 VAL 48 CG2 0.0072 -0.0042 0.0050 528 VAL 49 N 0.0064 -0.0007 0.0075 529 VAL 49 CA 0.0063 -0.0008 0.0070 530 VAL 49 C 0.0067 -0.0008 0.0070 531 VAL 49 O 0.0073 -0.0009 0.0070 532 VAL 49 CB 0.0063 -0.0009 0.0064 533 VAL 49 CG1 0.0062 -0.0010 0.0058 534 VAL 49 CG2 0.0057 -0.0008 0.0063 535 HIS 50 N 0.0065 -0.0008 0.0070 536 HIS 50 CA 0.0069 -0.0009 0.0069 537 HIS 50 C 0.0066 -0.0009 0.0066 538 HIS 50 O 0.0061 -0.0008 0.0067 539 HIS 50 CB 0.0072 -0.0008 0.0076 540 HIS 50 CG 0.0067 -0.0007 0.0081 541 HIS 50 ND1 0.0066 -0.0006 0.0081 542 HIS 50 CD2 0.0064 -0.0006 0.0085 543 HIS 50 CE1 0.0062 -0.0005 0.0085 544 HIS 50 NE2 0.0060 -0.0005 0.0088 545 GLY 51 N 0.0070 -0.0010 0.0062 546 GLY 51 CA 0.0068 -0.0010 0.0059 547 GLY 51 C 0.0064 -0.0011 0.0053 548 GLY 51 O 0.0059 -0.0010 0.0052 549 VAL 52 N 0.0067 -0.0012 0.0048 550 VAL 52 CA 0.0064 -0.0012 0.0042 551 VAL 52 C 0.0067 -0.0014 0.0037 552 VAL 52 O 0.0073 -0.0015 0.0036 553 VAL 52 CB 0.0063 -0.0012 0.0042 554 VAL 52 CG1 0.0060 -0.0013 0.0036 555 VAL 52 CG2 0.0059 -0.0011 0.0047 556 ALA 53 N 0.0060 -0.0025 0.0018 557 ALA 53 CA 0.0063 -0.0020 0.0007 558 ALA 53 C 0.0060 -0.0019 0.0000 559 ALA 53 O 0.0051 -0.0022 0.0002 560 ALA 53 CB 0.0056 -0.0020 0.0001 561 THR 54 N 0.0067 -0.0014 -0.0008 562 THR 54 CA 0.0066 -0.0013 -0.0014 563 THR 54 C 0.0070 -0.0008 -0.0025 564 THR 54 O 0.0080 -0.0005 -0.0027 565 THR 54 CB 0.0073 -0.0013 -0.0007 566 THR 54 OG1 0.0069 -0.0018 0.0004 567 THR 54 CG2 0.0072 -0.0011 -0.0013 568 VAL 55 N 0.0063 -0.0006 -0.0034 569 VAL 55 CA 0.0066 -0.0002 -0.0046 570 VAL 55 C 0.0064 -0.0001 -0.0051 571 VAL 55 O 0.0055 -0.0003 -0.0050 572 VAL 55 CB 0.0059 -0.0001 -0.0053 573 VAL 55 CG1 0.0061 0.0004 -0.0066 574 VAL 55 CG2 0.0061 -0.0002 -0.0049 575 ALA 56 N 0.0073 0.0003 -0.0056 576 ALA 56 CA 0.0072 0.0005 -0.0061 577 ALA 56 C 0.0076 0.0010 -0.0073 578 ALA 56 O 0.0087 0.0013 -0.0074 579 ALA 56 CB 0.0080 0.0004 -0.0053 580 GLU 57 N 0.0059 0.0030 -0.0081 581 GLU 57 CA 0.0058 0.0024 -0.0075 582 GLU 57 C 0.0053 0.0015 -0.0063 583 GLU 57 O 0.0059 0.0006 -0.0061 584 GLU 57 CB 0.0069 0.0016 -0.0081 585 GLU 57 CG 0.0073 0.0024 -0.0092 586 GLU 57 CD 0.0084 0.0017 -0.0097 587 GLU 57 OE1 0.0088 0.0006 -0.0092 588 GLU 57 OE2 0.0088 0.0022 -0.0106 589 LYS 58 N 0.0043 0.0018 -0.0055 590 LYS 58 CA 0.0037 0.0012 -0.0043 591 LYS 58 C 0.0033 0.0009 -0.0035 592 LYS 58 O 0.0025 0.0016 -0.0033 593 LYS 58 CB 0.0028 0.0020 -0.0041 594 LYS 58 CG 0.0033 0.0022 -0.0047 595 LYS 58 CD 0.0024 0.0030 -0.0044 596 LYS 58 CE 0.0028 0.0032 -0.0050 597 LYS 58 NZ 0.0019 0.0039 -0.0047 598 THR 59 N 0.0037 -0.0003 -0.0030 599 THR 59 CA 0.0034 -0.0007 -0.0023 600 THR 59 C 0.0022 -0.0006 -0.0012 601 THR 59 O 0.0016 -0.0003 -0.0007 602 THR 59 CB 0.0042 -0.0020 -0.0021 603 THR 59 OG1 0.0053 -0.0021 -0.0031 604 THR 59 CG2 0.0039 -0.0025 -0.0014 605 LYS 60 N 0.0020 -0.0008 -0.0007 606 LYS 60 CA 0.0009 -0.0006 0.0003 607 LYS 60 C 0.0006 -0.0002 0.0002 608 LYS 60 O 0.0011 -0.0009 0.0003 609 LYS 60 CB 0.0008 -0.0017 0.0013 610 LYS 60 CG -0.0004 -0.0016 0.0024 611 LYS 60 CD -0.0004 -0.0027 0.0034 612 LYS 60 CE -0.0016 -0.0025 0.0045 613 LYS 60 NZ -0.0016 -0.0036 0.0055 614 GLU 61 N -0.0033 0.0041 0.0011 615 GLU 61 CA -0.0035 0.0043 0.0011 616 GLU 61 C -0.0047 0.0048 0.0026 617 GLU 61 O -0.0059 0.0061 0.0027 618 GLU 61 CB -0.0036 0.0053 -0.0007 619 GLU 61 CG -0.0037 0.0056 -0.0008 620 GLU 61 CD -0.0038 0.0066 -0.0026 621 GLU 61 OE1 -0.0037 0.0072 -0.0037 622 GLU 61 OE2 -0.0039 0.0069 -0.0029 623 GLN 62 N -0.0045 0.0039 0.0039 624 GLN 62 CA -0.0057 0.0043 0.0055 625 GLN 62 C -0.0057 0.0042 0.0057 626 GLN 62 O -0.0047 0.0031 0.0058 627 GLN 62 CB -0.0055 0.0032 0.0071 628 GLN 62 CG -0.0066 0.0035 0.0089 629 GLN 62 CD -0.0065 0.0025 0.0104 630 GLN 62 OE1 -0.0055 0.0015 0.0102 631 GLN 62 NE2 -0.0074 0.0027 0.0120 632 VAL 63 N -0.0068 0.0055 0.0057 633 VAL 63 CA -0.0070 0.0056 0.0059 634 VAL 63 C -0.0083 0.0062 0.0075 635 VAL 63 O -0.0094 0.0075 0.0073 636 VAL 63 CB -0.0070 0.0065 0.0042 637 VAL 63 CG1 -0.0073 0.0066 0.0045 638 VAL 63 CG2 -0.0057 0.0060 0.0026 639 THR 64 N -0.0082 0.0052 0.0090 640 THR 64 CA -0.0094 0.0057 0.0107 641 THR 64 C -0.0093 0.0051 0.0114 642 THR 64 O -0.0085 0.0038 0.0122 643 THR 64 CB -0.0095 0.0050 0.0121 644 THR 64 OG1 -0.0085 0.0035 0.0128 645 THR 64 CG2 -0.0094 0.0053 0.0113 646 ASN 65 N -0.0080 0.0081 0.0113 647 ASN 65 CA -0.0060 0.0075 0.0109 648 ASN 65 C -0.0065 0.0080 0.0118 649 ASN 65 O -0.0085 0.0085 0.0122 650 ASN 65 CB -0.0054 0.0064 0.0083 651 ASN 65 CG -0.0071 0.0062 0.0066 652 ASN 65 OD1 -0.0084 0.0066 0.0071 653 ASN 65 ND2 -0.0070 0.0053 0.0044 654 VAL 66 N -0.0046 0.0077 0.0122 655 VAL 66 CA -0.0049 0.0079 0.0126 656 VAL 66 C -0.0035 0.0070 0.0109 657 VAL 66 O -0.0016 0.0063 0.0102 658 VAL 66 CB -0.0041 0.0087 0.0151 659 VAL 66 CG1 -0.0050 0.0095 0.0169 660 VAL 66 CG2 -0.0015 0.0083 0.0156 661 GLY 67 N -0.0046 0.0069 0.0100 662 GLY 67 CA -0.0035 0.0060 0.0083 663 GLY 67 C -0.0030 0.0051 0.0060 664 GLY 67 O -0.0021 0.0044 0.0046 665 GLY 68 N -0.0036 0.0050 0.0056 666 GLY 68 CA -0.0029 0.0041 0.0036 667 GLY 68 C -0.0050 0.0041 0.0023 668 GLY 68 O -0.0070 0.0048 0.0030 669 ALA 69 N -0.0055 0.0018 0.0009 670 ALA 69 CA -0.0058 0.0020 0.0005 671 ALA 69 C -0.0053 0.0019 0.0003 672 ALA 69 O -0.0048 0.0019 0.0000 673 ALA 69 CB -0.0060 0.0021 -0.0001 674 VAL 70 N -0.0054 0.0019 0.0005 675 VAL 70 CA -0.0050 0.0018 0.0005 676 VAL 70 C -0.0052 0.0019 0.0000 677 VAL 70 O -0.0058 0.0020 0.0001 678 VAL 70 CB -0.0048 0.0017 0.0011 679 VAL 70 CG1 -0.0044 0.0017 0.0011 680 VAL 70 CG2 -0.0045 0.0016 0.0016 681 VAL 71 N -0.0048 0.0020 -0.0004 682 VAL 71 CA -0.0050 0.0020 -0.0009 683 VAL 71 C -0.0045 0.0020 -0.0007 684 VAL 71 O -0.0040 0.0019 -0.0007 685 VAL 71 CB -0.0048 0.0021 -0.0016 686 VAL 71 CG1 -0.0049 0.0022 -0.0020 687 VAL 71 CG2 -0.0053 0.0022 -0.0018 688 THR 72 N -0.0049 0.0020 -0.0006 689 THR 72 CA -0.0045 0.0019 -0.0004 690 THR 72 C -0.0047 0.0020 -0.0009 691 THR 72 O -0.0052 0.0021 -0.0009 692 THR 72 CB -0.0047 0.0018 0.0003 693 THR 72 OG1 -0.0053 0.0019 0.0003 694 THR 72 CG2 -0.0045 0.0017 0.0007 695 GLY 73 N -0.0007 -0.0013 -0.0014 696 GLY 73 CA -0.0004 -0.0014 -0.0006 697 GLY 73 C -0.0000 -0.0017 0.0000 698 GLY 73 O 0.0005 -0.0022 0.0003 699 VAL 74 N -0.0002 -0.0014 0.0003 700 VAL 74 CA 0.0002 -0.0016 0.0010 701 VAL 74 C 0.0001 -0.0012 0.0018 702 VAL 74 O -0.0003 -0.0007 0.0018 703 VAL 74 CB 0.0001 -0.0015 0.0008 704 VAL 74 CG1 0.0000 -0.0017 -0.0001 705 VAL 74 CG2 -0.0004 -0.0008 0.0011 706 THR 75 N 0.0005 -0.0016 0.0025 707 THR 75 CA 0.0005 -0.0013 0.0033 708 THR 75 C 0.0008 -0.0015 0.0039 709 THR 75 O 0.0013 -0.0021 0.0039 710 THR 75 CB 0.0008 -0.0016 0.0034 711 THR 75 OG1 0.0005 -0.0014 0.0027 712 THR 75 CG2 0.0008 -0.0013 0.0042 713 ALA 76 N 0.0006 -0.0010 0.0046 714 ALA 76 CA 0.0009 -0.0011 0.0053 715 ALA 76 C 0.0010 -0.0014 0.0052 716 ALA 76 O 0.0015 -0.0018 0.0055 717 ALA 76 CB 0.0014 -0.0016 0.0058 718 VAL 77 N 0.0037 -0.0061 0.0050 719 VAL 77 CA 0.0035 -0.0063 0.0044 720 VAL 77 C 0.0033 -0.0054 0.0048 721 VAL 77 O 0.0029 -0.0045 0.0049 722 VAL 77 CB 0.0030 -0.0064 0.0032 723 VAL 77 CG1 0.0028 -0.0066 0.0026 724 VAL 77 CG2 0.0033 -0.0073 0.0028 725 ALA 78 N 0.0035 -0.0057 0.0051 726 ALA 78 CA 0.0034 -0.0049 0.0056 727 ALA 78 C 0.0034 -0.0052 0.0053 728 ALA 78 O 0.0039 -0.0058 0.0057 729 ALA 78 CB 0.0038 -0.0046 0.0068 730 GLN 79 N 0.0028 -0.0047 0.0046 731 GLN 79 CA 0.0028 -0.0049 0.0043 732 GLN 79 C 0.0025 -0.0040 0.0047 733 GLN 79 O 0.0022 -0.0031 0.0050 734 GLN 79 CB 0.0024 -0.0052 0.0031 735 GLN 79 CG 0.0017 -0.0044 0.0025 736 GLN 79 CD 0.0013 -0.0047 0.0013 737 GLN 79 OE1 0.0016 -0.0056 0.0010 738 GLN 79 NE2 0.0007 -0.0040 0.0007 739 LYS 80 N 0.0026 -0.0041 0.0047 740 LYS 80 CA 0.0023 -0.0033 0.0048 741 LYS 80 C 0.0020 -0.0036 0.0039 742 LYS 80 O 0.0023 -0.0045 0.0036 743 LYS 80 CB 0.0027 -0.0032 0.0059 744 LYS 80 CG 0.0023 -0.0022 0.0061 745 LYS 80 CD 0.0027 -0.0020 0.0072 746 LYS 80 CE 0.0023 -0.0010 0.0073 747 LYS 80 NZ 0.0026 -0.0008 0.0082 748 THR 81 N -0.0014 -0.0004 0.0043 749 THR 81 CA -0.0038 -0.0002 0.0029 750 THR 81 C -0.0048 0.0033 0.0035 751 THR 81 O -0.0055 0.0052 0.0037 752 THR 81 CB -0.0061 -0.0016 0.0010 753 THR 81 OG1 -0.0051 -0.0049 0.0005 754 THR 81 CG2 -0.0086 -0.0014 -0.0004 755 VAL 82 N -0.0049 0.0040 0.0037 756 VAL 82 CA -0.0062 0.0071 0.0039 757 VAL 82 C -0.0090 0.0067 0.0020 758 VAL 82 O -0.0091 0.0049 0.0013 759 VAL 82 CB -0.0044 0.0084 0.0055 760 VAL 82 CG1 -0.0059 0.0115 0.0056 761 VAL 82 CG2 -0.0016 0.0089 0.0073 762 GLU 83 N -0.0113 0.0085 0.0012 763 GLU 83 CA -0.0142 0.0086 -0.0005 764 GLU 83 C -0.0151 0.0053 -0.0022 765 GLU 83 O -0.0157 0.0039 -0.0030 766 GLU 83 CB -0.0147 0.0100 -0.0004 767 GLU 83 CG -0.0144 0.0135 0.0010 768 GLU 83 CD -0.0150 0.0149 0.0011 769 GLU 83 OE1 -0.0155 0.0131 0.0002 770 GLU 83 OE2 -0.0150 0.0177 0.0021 771 GLY 84 N -0.0151 0.0041 -0.0026 772 GLY 84 CA -0.0161 0.0012 -0.0042 773 GLY 84 C -0.0159 0.0003 -0.0044 774 GLY 84 O -0.0149 0.0020 -0.0032 775 ALA 85 N -0.0114 0.0009 -0.0057 776 ALA 85 CA -0.0111 0.0005 -0.0056 777 ALA 85 C -0.0104 -0.0009 -0.0050 778 ALA 85 O -0.0106 -0.0020 -0.0052 779 ALA 85 CB -0.0124 0.0002 -0.0063 780 GLY 86 N -0.0094 -0.0010 -0.0044 781 GLY 86 CA -0.0086 -0.0023 -0.0039 782 GLY 86 C -0.0084 -0.0029 -0.0038 783 GLY 86 O -0.0078 -0.0022 -0.0034 784 SER 87 N -0.0090 -0.0042 -0.0041 785 SER 87 CA -0.0088 -0.0050 -0.0040 786 SER 87 C -0.0080 -0.0063 -0.0034 787 SER 87 O -0.0084 -0.0074 -0.0036 788 SER 87 CB -0.0101 -0.0054 -0.0048 789 SER 87 OG -0.0109 -0.0042 -0.0053 790 ILE 88 N -0.0068 -0.0062 -0.0027 791 ILE 88 CA -0.0059 -0.0073 -0.0020 792 ILE 88 C -0.0061 -0.0088 -0.0022 793 ILE 88 O -0.0063 -0.0099 -0.0023 794 ILE 88 CB -0.0045 -0.0067 -0.0012 795 ILE 88 CG1 -0.0043 -0.0054 -0.0011 796 ILE 88 CG2 -0.0036 -0.0079 -0.0006 797 ILE 88 CD1 -0.0031 -0.0046 -0.0003 798 ALA 89 N -0.0069 -0.0022 -0.0038 799 ALA 89 CA -0.0068 -0.0015 -0.0033 800 ALA 89 C -0.0058 -0.0012 -0.0035 801 ALA 89 O -0.0054 -0.0008 -0.0034 802 ALA 89 CB -0.0071 -0.0009 -0.0028 803 ALA 90 N -0.0056 -0.0015 -0.0038 804 ALA 90 CA -0.0047 -0.0013 -0.0040 805 ALA 90 C -0.0046 -0.0008 -0.0037 806 ALA 90 O -0.0052 -0.0007 -0.0034 807 ALA 90 CB -0.0044 -0.0020 -0.0047 808 ALA 91 N -0.0038 -0.0003 -0.0037 809 ALA 91 CA -0.0036 0.0003 -0.0033 810 ALA 91 C -0.0027 0.0004 -0.0036 811 ALA 91 O -0.0022 0.0006 -0.0036 812 ALA 91 CB -0.0039 0.0009 -0.0027 813 THR 92 N -0.0025 0.0003 -0.0037 814 THR 92 CA -0.0016 0.0004 -0.0040 815 THR 92 C -0.0015 0.0010 -0.0036 816 THR 92 O -0.0021 0.0010 -0.0034 817 THR 92 CB -0.0014 -0.0002 -0.0046 818 THR 92 OG1 -0.0018 -0.0005 -0.0046 819 THR 92 CG2 -0.0016 -0.0009 -0.0050 820 GLY 93 N 0.0023 0.0032 -0.0042 821 GLY 93 CA 0.0025 0.0038 -0.0035 822 GLY 93 C 0.0028 0.0040 -0.0030 823 GLY 93 O 0.0026 0.0046 -0.0026 824 PHE 94 N 0.0033 0.0033 -0.0032 825 PHE 94 CA 0.0036 0.0034 -0.0027 826 PHE 94 C 0.0037 0.0027 -0.0033 827 PHE 94 O 0.0040 0.0021 -0.0037 828 PHE 94 CB 0.0044 0.0033 -0.0021 829 PHE 94 CG 0.0044 0.0039 -0.0014 830 PHE 94 CD1 0.0044 0.0045 -0.0009 831 PHE 94 CD2 0.0044 0.0040 -0.0014 832 PHE 94 CE1 0.0043 0.0051 -0.0003 833 PHE 94 CE2 0.0044 0.0046 -0.0008 834 PHE 94 CZ 0.0043 0.0052 -0.0003 835 VAL 95 N 0.0036 0.0029 -0.0033 836 VAL 95 CA 0.0038 0.0023 -0.0037 837 VAL 95 C 0.0042 0.0025 -0.0031 838 VAL 95 O 0.0038 0.0031 -0.0028 839 VAL 95 CB 0.0031 0.0023 -0.0044 840 VAL 95 CG1 0.0033 0.0018 -0.0047 841 VAL 95 CG2 0.0027 0.0021 -0.0050 842 LYS 96 N 0.0048 0.0019 -0.0030 843 LYS 96 CA 0.0053 0.0020 -0.0024 844 LYS 96 C 0.0055 0.0014 -0.0028 845 LYS 96 O 0.0053 0.0009 -0.0035 846 LYS 96 CB 0.0060 0.0020 -0.0017 847 LYS 96 CG 0.0058 0.0026 -0.0013 848 LYS 96 CD 0.0056 0.0033 -0.0008 849 LYS 96 CE 0.0055 0.0040 -0.0003 850 LYS 96 NZ 0.0061 0.0039 0.0003 851 LYS 97 N 0.0051 0.0093 -0.0001 852 LYS 97 CA 0.0053 0.0088 0.0002 853 LYS 97 C 0.0060 0.0088 0.0008 854 LYS 97 O 0.0062 0.0094 0.0010 855 LYS 97 CB 0.0052 0.0090 0.0000 856 LYS 97 CG 0.0054 0.0085 0.0002 857 LYS 97 CD 0.0051 0.0077 -0.0000 858 LYS 97 CE 0.0053 0.0071 0.0002 859 LYS 97 NZ 0.0051 0.0074 0.0001 860 ASP 98 N 0.0062 0.0081 0.0011 861 ASP 98 CA 0.0068 0.0081 0.0017 862 ASP 98 C 0.0070 0.0076 0.0019 863 ASP 98 O 0.0066 0.0073 0.0015 864 ASP 98 CB 0.0070 0.0078 0.0019 865 ASP 98 CG 0.0076 0.0079 0.0025 866 ASP 98 OD1 0.0079 0.0083 0.0027 867 ASP 98 OD2 0.0078 0.0078 0.0027 868 GLN 99 N 0.0075 0.0074 0.0024 869 GLN 99 CA 0.0077 0.0069 0.0026 870 GLN 99 C 0.0075 0.0061 0.0025 871 GLN 99 O 0.0073 0.0057 0.0023 872 GLN 99 CB 0.0083 0.0070 0.0032 873 GLN 99 CG 0.0086 0.0065 0.0035 874 GLN 99 CD 0.0092 0.0066 0.0041 875 GLN 99 OE1 0.0095 0.0070 0.0044 876 GLN 99 NE2 0.0095 0.0062 0.0044 877 VAL 37 N 0.0148 0.0060 0.0010 878 VAL 37 CA 0.0159 0.0028 -0.0004 879 VAL 37 C 0.0109 0.0004 -0.0004 880 VAL 37 O 0.0102 -0.0013 -0.0009 881 VAL 37 CB 0.0186 0.0056 0.0001 882 VAL 37 CG1 0.0240 0.0067 -0.0005 883 VAL 37 CG2 0.0163 0.0103 0.0023 884 LEU 38 N 0.0074 0.0000 0.0001 885 LEU 38 CA 0.0025 -0.0022 0.0002 886 LEU 38 C 0.0026 -0.0076 -0.0018 887 LEU 38 O 0.0004 -0.0096 -0.0021 888 LEU 38 CB -0.0010 -0.0011 0.0013 889 LEU 38 CG -0.0041 0.0033 0.0035 890 LEU 38 CD1 -0.0082 0.0031 0.0042 891 LEU 38 CD2 -0.0008 0.0080 0.0046 892 TYR 39 N 0.0052 -0.0099 -0.0032 893 TYR 39 CA 0.0061 -0.0151 -0.0052 894 TYR 39 C 0.0011 -0.0181 -0.0054 895 TYR 39 O -0.0001 -0.0207 -0.0061 896 TYR 39 CB 0.0094 -0.0163 -0.0063 897 TYR 39 CG 0.0147 -0.0143 -0.0066 898 TYR 39 CD1 0.0182 -0.0167 -0.0080 899 TYR 39 CD2 0.0164 -0.0103 -0.0054 900 TYR 39 CE1 0.0231 -0.0149 -0.0083 901 TYR 39 CE2 0.0213 -0.0085 -0.0056 902 TYR 39 CZ 0.0247 -0.0109 -0.0071 903 TYR 39 OH 0.0296 -0.0091 -0.0074 904 VAL 40 N -0.0017 -0.0178 -0.0048 905 VAL 40 CA -0.0064 -0.0207 -0.0050 906 VAL 40 C -0.0054 -0.0259 -0.0071 907 VAL 40 O -0.0079 -0.0292 -0.0079 908 VAL 40 CB -0.0097 -0.0186 -0.0036 909 VAL 40 CG1 -0.0145 -0.0216 -0.0038 910 VAL 40 CG2 -0.0107 -0.0135 -0.0015 911 GLY 41 N 0.0081 -0.0296 -0.0078 912 GLY 41 CA 0.0076 -0.0279 -0.0071 913 GLY 41 C 0.0057 -0.0275 -0.0073 914 GLY 41 O 0.0047 -0.0265 -0.0070 915 SER 42 N 0.0051 -0.0284 -0.0077 916 SER 42 CA 0.0032 -0.0284 -0.0080 917 SER 42 C 0.0024 -0.0267 -0.0074 918 SER 42 O 0.0010 -0.0262 -0.0075 919 SER 42 CB 0.0030 -0.0296 -0.0085 920 SER 42 OG 0.0012 -0.0296 -0.0088 921 LYS 43 N 0.0034 -0.0257 -0.0069 922 LYS 43 CA 0.0030 -0.0239 -0.0063 923 LYS 43 C 0.0046 -0.0231 -0.0057 924 LYS 43 O 0.0054 -0.0235 -0.0057 925 LYS 43 CB 0.0015 -0.0236 -0.0063 926 LYS 43 CG 0.0009 -0.0217 -0.0057 927 LYS 43 CD -0.0006 -0.0214 -0.0058 928 LYS 43 CE -0.0013 -0.0196 -0.0052 929 LYS 43 NZ -0.0000 -0.0184 -0.0045 930 THR 44 N 0.0052 -0.0220 -0.0051 931 THR 44 CA 0.0067 -0.0209 -0.0045 932 THR 44 C 0.0060 -0.0191 -0.0039 933 THR 44 O 0.0048 -0.0187 -0.0039 934 THR 44 CB 0.0083 -0.0213 -0.0044 935 THR 44 OG1 0.0078 -0.0208 -0.0043 936 THR 44 CG2 0.0089 -0.0231 -0.0050 937 LYS 45 N 0.0059 -0.0061 0.0004 938 LYS 45 CA 0.0055 -0.0051 0.0012 939 LYS 45 C 0.0067 -0.0047 0.0017 940 LYS 45 O 0.0072 -0.0046 0.0018 941 LYS 45 CB 0.0048 -0.0049 0.0013 942 LYS 45 CG 0.0043 -0.0039 0.0020 943 LYS 45 CD 0.0034 -0.0037 0.0021 944 LYS 45 CE 0.0029 -0.0028 0.0028 945 LYS 45 NZ 0.0020 -0.0026 0.0029 946 GLU 46 N 0.0070 -0.0044 0.0020 947 GLU 46 CA 0.0082 -0.0042 0.0023 948 GLU 46 C 0.0083 -0.0034 0.0030 949 GLU 46 O 0.0080 -0.0034 0.0030 950 GLU 46 CB 0.0090 -0.0050 0.0017 951 GLU 46 CG 0.0086 -0.0054 0.0013 952 GLU 46 CD 0.0093 -0.0063 0.0006 953 GLU 46 OE1 0.0100 -0.0065 0.0005 954 GLU 46 OE2 0.0091 -0.0068 0.0002 955 GLY 47 N 0.0087 -0.0027 0.0036 956 GLY 47 CA 0.0088 -0.0019 0.0043 957 GLY 47 C 0.0077 -0.0013 0.0047 958 GLY 47 O 0.0073 -0.0009 0.0050 959 VAL 48 N 0.0072 -0.0012 0.0047 960 VAL 48 CA 0.0060 -0.0008 0.0049 961 VAL 48 C 0.0061 -0.0001 0.0055 962 VAL 48 O 0.0067 -0.0001 0.0056 963 VAL 48 CB 0.0053 -0.0015 0.0042 964 VAL 48 CG1 0.0041 -0.0011 0.0044 965 VAL 48 CG2 0.0052 -0.0023 0.0036 966 VAL 49 N 0.0050 -0.0005 0.0067 967 VAL 49 CA 0.0049 -0.0006 0.0062 968 VAL 49 C 0.0054 -0.0007 0.0063 969 VAL 49 O 0.0059 -0.0008 0.0063 970 VAL 49 CB 0.0048 -0.0007 0.0057 971 VAL 49 CG1 0.0048 -0.0009 0.0052 972 VAL 49 CG2 0.0043 -0.0006 0.0056 973 HIS 50 N 0.0052 -0.0006 0.0063 974 HIS 50 CA 0.0057 -0.0007 0.0063 975 HIS 50 C 0.0055 -0.0008 0.0060 976 HIS 50 O 0.0050 -0.0006 0.0061 977 HIS 50 CB 0.0059 -0.0006 0.0069 978 HIS 50 CG 0.0056 -0.0004 0.0073 979 HIS 50 ND1 0.0055 -0.0003 0.0074 980 HIS 50 CD2 0.0052 -0.0002 0.0077 981 HIS 50 CE1 0.0052 -0.0001 0.0078 982 HIS 50 NE2 0.0050 -0.0000 0.0080 983 GLY 51 N 0.0059 -0.0009 0.0057 984 GLY 51 CA 0.0057 -0.0010 0.0054 985 GLY 51 C 0.0054 -0.0011 0.0049 986 GLY 51 O 0.0049 -0.0010 0.0048 987 VAL 52 N 0.0056 -0.0013 0.0045 988 VAL 52 CA 0.0052 -0.0014 0.0039 989 VAL 52 C 0.0056 -0.0016 0.0034 990 VAL 52 O 0.0061 -0.0017 0.0034 991 VAL 52 CB 0.0051 -0.0014 0.0038 992 VAL 52 CG1 0.0048 -0.0015 0.0033 993 VAL 52 CG2 0.0047 -0.0012 0.0043 994 ALA 53 N 0.0053 -0.0026 0.0017 995 ALA 53 CA 0.0056 -0.0022 0.0006 996 ALA 53 C 0.0053 -0.0021 -0.0001 997 ALA 53 O 0.0044 -0.0023 0.0001 998 ALA 53 CB 0.0050 -0.0022 0.0001 999 THR 54 N 0.0059 -0.0017 -0.0008 1000 THR 54 CA 0.0058 -0.0016 -0.0014 1001 THR 54 C 0.0062 -0.0012 -0.0025 1002 THR 54 O 0.0071 -0.0010 -0.0026 1003 THR 54 CB 0.0064 -0.0016 -0.0008 1004 THR 54 OG1 0.0060 -0.0020 0.0002 1005 THR 54 CG2 0.0063 -0.0015 -0.0015 1006 VAL 55 N 0.0055 -0.0011 -0.0033 1007 VAL 55 CA 0.0058 -0.0007 -0.0044 1008 VAL 55 C 0.0056 -0.0006 -0.0049 1009 VAL 55 O 0.0048 -0.0008 -0.0048 1010 VAL 55 CB 0.0052 -0.0006 -0.0050 1011 VAL 55 CG1 0.0055 -0.0002 -0.0062 1012 VAL 55 CG2 0.0055 -0.0007 -0.0046 1013 ALA 56 N 0.0064 -0.0003 -0.0054 1014 ALA 56 CA 0.0063 -0.0002 -0.0059 1015 ALA 56 C 0.0067 0.0003 -0.0070 1016 ALA 56 O 0.0077 0.0005 -0.0071 1017 ALA 56 CB 0.0070 -0.0002 -0.0052 1018 GLU 57 N 0.0058 0.0012 -0.0074 1019 GLU 57 CA 0.0057 0.0008 -0.0070 1020 GLU 57 C 0.0054 0.0001 -0.0060 1021 GLU 57 O 0.0058 -0.0006 -0.0059 1022 GLU 57 CB 0.0066 0.0002 -0.0075 1023 GLU 57 CG 0.0069 0.0009 -0.0084 1024 GLU 57 CD 0.0077 0.0003 -0.0089 1025 GLU 57 OE1 0.0080 -0.0007 -0.0085 1026 GLU 57 OE2 0.0080 0.0007 -0.0096 1027 LYS 58 N 0.0046 0.0004 -0.0054 1028 LYS 58 CA 0.0042 -0.0000 -0.0044 1029 LYS 58 C 0.0038 -0.0003 -0.0038 1030 LYS 58 O 0.0033 0.0004 -0.0037 1031 LYS 58 CB 0.0035 0.0006 -0.0041 1032 LYS 58 CG 0.0038 0.0007 -0.0046 1033 LYS 58 CD 0.0032 0.0013 -0.0043 1034 LYS 58 CE 0.0035 0.0014 -0.0047 1035 LYS 58 NZ 0.0028 0.0019 -0.0044 1036 THR 59 N 0.0042 -0.0012 -0.0035 1037 THR 59 CA 0.0039 -0.0015 -0.0030 1038 THR 59 C 0.0030 -0.0013 -0.0021 1039 THR 59 O 0.0026 -0.0011 -0.0017 1040 THR 59 CB 0.0045 -0.0025 -0.0029 1041 THR 59 OG1 0.0053 -0.0026 -0.0037 1042 THR 59 CG2 0.0043 -0.0028 -0.0024 1043 LYS 60 N 0.0028 -0.0015 -0.0017 1044 LYS 60 CA 0.0020 -0.0013 -0.0008 1045 LYS 60 C 0.0018 -0.0011 -0.0008 1046 LYS 60 O 0.0022 -0.0017 -0.0007 1047 LYS 60 CB 0.0019 -0.0022 -0.0000 1048 LYS 60 CG 0.0011 -0.0020 0.0009 1049 LYS 60 CD 0.0010 -0.0029 0.0016 1050 LYS 60 CE 0.0002 -0.0027 0.0025 1051 LYS 60 NZ 0.0001 -0.0036 0.0033 1052 GLU 61 N -0.0006 0.0019 0.0003 1053 GLU 61 CA -0.0007 0.0020 0.0004 1054 GLU 61 C -0.0016 0.0024 0.0015 1055 GLU 61 O -0.0023 0.0034 0.0016 1056 GLU 61 CB -0.0008 0.0027 -0.0008 1057 GLU 61 CG -0.0009 0.0028 -0.0008 1058 GLU 61 CD -0.0009 0.0036 -0.0020 1059 GLU 61 OE1 -0.0009 0.0040 -0.0029 1060 GLU 61 OE2 -0.0010 0.0037 -0.0021 1061 GLN 62 N -0.0014 0.0018 0.0025 1062 GLN 62 CA -0.0022 0.0021 0.0037 1063 GLN 62 C -0.0022 0.0020 0.0039 1064 GLN 62 O -0.0016 0.0011 0.0040 1065 GLN 62 CB -0.0021 0.0013 0.0048 1066 GLN 62 CG -0.0028 0.0016 0.0060 1067 GLN 62 CD -0.0027 0.0009 0.0071 1068 GLN 62 OE1 -0.0021 0.0001 0.0068 1069 GLN 62 NE2 -0.0033 0.0011 0.0082 1070 VAL 63 N -0.0029 0.0029 0.0040 1071 VAL 63 CA -0.0030 0.0029 0.0043 1072 VAL 63 C -0.0039 0.0034 0.0054 1073 VAL 63 O -0.0046 0.0044 0.0053 1074 VAL 63 CB -0.0030 0.0036 0.0031 1075 VAL 63 CG1 -0.0032 0.0036 0.0035 1076 VAL 63 CG2 -0.0022 0.0031 0.0020 1077 THR 64 N -0.0038 0.0027 0.0066 1078 THR 64 CA -0.0046 0.0031 0.0078 1079 THR 64 C -0.0045 0.0026 0.0084 1080 THR 64 O -0.0040 0.0016 0.0090 1081 THR 64 CB -0.0047 0.0027 0.0087 1082 THR 64 OG1 -0.0040 0.0015 0.0092 1083 THR 64 CG2 -0.0046 0.0030 0.0080 1084 ASN 65 N -0.0031 0.0056 0.0080 1085 ASN 65 CA -0.0017 0.0053 0.0076 1086 ASN 65 C -0.0020 0.0055 0.0080 1087 ASN 65 O -0.0034 0.0057 0.0083 1088 ASN 65 CB -0.0013 0.0046 0.0058 1089 ASN 65 CG -0.0025 0.0042 0.0046 1090 ASN 65 OD1 -0.0034 0.0044 0.0048 1091 ASN 65 ND2 -0.0025 0.0037 0.0032 1092 VAL 66 N -0.0007 0.0054 0.0081 1093 VAL 66 CA -0.0009 0.0054 0.0082 1094 VAL 66 C 0.0001 0.0048 0.0068 1095 VAL 66 O 0.0014 0.0046 0.0064 1096 VAL 66 CB -0.0003 0.0060 0.0098 1097 VAL 66 CG1 -0.0010 0.0066 0.0112 1098 VAL 66 CG2 0.0015 0.0059 0.0100 1099 GLY 67 N -0.0007 0.0046 0.0061 1100 GLY 67 CA 0.0001 0.0041 0.0048 1101 GLY 67 C 0.0004 0.0035 0.0033 1102 GLY 67 O 0.0010 0.0030 0.0022 1103 GLY 68 N -0.0000 0.0035 0.0032 1104 GLY 68 CA 0.0005 0.0029 0.0019 1105 GLY 68 C -0.0010 0.0028 0.0012 1106 GLY 68 O -0.0024 0.0031 0.0018 1107 ALA 69 N -0.0023 0.0013 -0.0000 1108 ALA 69 CA -0.0026 0.0012 -0.0003 1109 ALA 69 C -0.0024 0.0012 -0.0003 1110 ALA 69 O -0.0022 0.0011 -0.0005 1111 ALA 69 CB -0.0027 0.0011 -0.0007 1112 VAL 70 N -0.0027 0.0012 -0.0002 1113 VAL 70 CA -0.0025 0.0012 -0.0002 1114 VAL 70 C -0.0028 0.0012 -0.0005 1115 VAL 70 O -0.0032 0.0012 -0.0004 1116 VAL 70 CB -0.0025 0.0013 0.0002 1117 VAL 70 CG1 -0.0024 0.0013 0.0002 1118 VAL 70 CG2 -0.0022 0.0014 0.0005 1119 VAL 71 N -0.0026 0.0011 -0.0007 1120 VAL 71 CA -0.0029 0.0011 -0.0010 1121 VAL 71 C -0.0027 0.0011 -0.0008 1122 VAL 71 O -0.0024 0.0011 -0.0008 1123 VAL 71 CB -0.0028 0.0010 -0.0014 1124 VAL 71 CG1 -0.0029 0.0009 -0.0016 1125 VAL 71 CG2 -0.0029 0.0009 -0.0015 1126 THR 72 N -0.0030 0.0011 -0.0007 1127 THR 72 CA -0.0030 0.0012 -0.0006 1128 THR 72 C -0.0032 0.0011 -0.0008 1129 THR 72 O -0.0036 0.0012 -0.0009 1130 THR 72 CB -0.0031 0.0013 -0.0002 1131 THR 72 OG1 -0.0035 0.0013 -0.0001 1132 THR 72 CG2 -0.0029 0.0013 0.0001 1133 GLY 73 N -0.0009 -0.0017 -0.0011 1134 GLY 73 CA -0.0006 -0.0017 -0.0004 1135 GLY 73 C -0.0002 -0.0019 0.0002 1136 GLY 73 O 0.0002 -0.0024 0.0004 1137 VAL 74 N -0.0004 -0.0016 0.0004 1138 VAL 74 CA -0.0001 -0.0017 0.0010 1139 VAL 74 C -0.0001 -0.0014 0.0017 1140 VAL 74 O -0.0004 -0.0009 0.0018 1141 VAL 74 CB -0.0002 -0.0016 0.0010 1142 VAL 74 CG1 -0.0003 -0.0018 0.0002 1143 VAL 74 CG2 -0.0006 -0.0009 0.0013 1144 THR 75 N 0.0004 -0.0016 0.0023 1145 THR 75 CA 0.0004 -0.0014 0.0030 1146 THR 75 C 0.0007 -0.0015 0.0036 1147 THR 75 O 0.0011 -0.0019 0.0035 1148 THR 75 CB 0.0007 -0.0017 0.0030 1149 THR 75 OG1 0.0004 -0.0016 0.0024 1150 THR 75 CG2 0.0008 -0.0014 0.0037 1151 ALA 76 N 0.0006 -0.0010 0.0041 1152 ALA 76 CA 0.0009 -0.0010 0.0048 1153 ALA 76 C 0.0009 -0.0012 0.0047 1154 ALA 76 O 0.0014 -0.0015 0.0050 1155 ALA 76 CB 0.0014 -0.0014 0.0052 1156 VAL 77 N 0.0032 -0.0046 0.0046 1157 VAL 77 CA 0.0027 -0.0047 0.0040 1158 VAL 77 C 0.0026 -0.0037 0.0043 1159 VAL 77 O 0.0024 -0.0029 0.0043 1160 VAL 77 CB 0.0021 -0.0049 0.0031 1161 VAL 77 CG1 0.0017 -0.0049 0.0026 1162 VAL 77 CG2 0.0023 -0.0059 0.0029 1163 ALA 78 N 0.0027 -0.0037 0.0044 1164 ALA 78 CA 0.0026 -0.0027 0.0047 1165 ALA 78 C 0.0024 -0.0028 0.0044 1166 ALA 78 O 0.0028 -0.0033 0.0047 1167 ALA 78 CB 0.0033 -0.0025 0.0057 1168 GLN 79 N 0.0018 -0.0023 0.0038 1169 GLN 79 CA 0.0015 -0.0023 0.0035 1170 GLN 79 C 0.0013 -0.0013 0.0037 1171 GLN 79 O 0.0013 -0.0006 0.0039 1172 GLN 79 CB 0.0009 -0.0027 0.0025 1173 GLN 79 CG 0.0003 -0.0020 0.0020 1174 GLN 79 CD -0.0003 -0.0024 0.0011 1175 GLN 79 OE1 -0.0003 -0.0033 0.0008 1176 GLN 79 NE2 -0.0009 -0.0019 0.0006 1177 LYS 80 N 0.0013 -0.0013 0.0036 1178 LYS 80 CA 0.0010 -0.0003 0.0036 1179 LYS 80 C 0.0004 -0.0005 0.0029 1180 LYS 80 O 0.0005 -0.0014 0.0026 1181 LYS 80 CB 0.0015 -0.0000 0.0044 1182 LYS 80 CG 0.0012 0.0011 0.0045 1183 LYS 80 CD 0.0017 0.0014 0.0053 1184 LYS 80 CE 0.0013 0.0024 0.0053 1185 LYS 80 NZ 0.0018 0.0028 0.0060 1186 THR 81 N -0.0033 0.0039 0.0037 1187 THR 81 CA -0.0062 0.0044 0.0026 1188 THR 81 C -0.0072 0.0081 0.0032 1189 THR 81 O -0.0078 0.0097 0.0033 1190 THR 81 CB -0.0088 0.0025 0.0010 1191 THR 81 OG1 -0.0078 -0.0010 0.0005 1192 THR 81 CG2 -0.0117 0.0030 -0.0001 1193 VAL 82 N -0.0074 0.0094 0.0034 1194 VAL 82 CA -0.0088 0.0127 0.0037 1195 VAL 82 C -0.0121 0.0125 0.0023 1196 VAL 82 O -0.0125 0.0109 0.0017 1197 VAL 82 CB -0.0068 0.0146 0.0051 1198 VAL 82 CG1 -0.0085 0.0180 0.0053 1199 VAL 82 CG2 -0.0036 0.0150 0.0065 1200 GLU 83 N -0.0146 0.0140 0.0017 1201 GLU 83 CA -0.0179 0.0142 0.0003 1202 GLU 83 C -0.0190 0.0107 -0.0011 1203 GLU 83 O -0.0199 0.0096 -0.0018 1204 GLU 83 CB -0.0186 0.0162 0.0006 1205 GLU 83 CG -0.0181 0.0199 0.0017 1206 GLU 83 CD -0.0189 0.0219 0.0019 1207 GLU 83 OE1 -0.0196 0.0204 0.0012 1208 GLU 83 OE2 -0.0187 0.0250 0.0028 1209 GLY 84 N -0.0190 0.0090 -0.0016 1210 GLY 84 CA -0.0202 0.0057 -0.0029 1211 GLY 84 C -0.0198 0.0043 -0.0032 1212 GLY 84 O -0.0185 0.0057 -0.0022 1213 ALA 85 N -0.0142 0.0057 -0.0042 1214 ALA 85 CA -0.0139 0.0047 -0.0041 1215 ALA 85 C -0.0129 0.0030 -0.0037 1216 ALA 85 O -0.0132 0.0020 -0.0038 1217 ALA 85 CB -0.0157 0.0042 -0.0046 1218 GLY 86 N -0.0116 0.0026 -0.0033 1219 GLY 86 CA -0.0105 0.0010 -0.0030 1220 GLY 86 C -0.0103 -0.0002 -0.0029 1221 GLY 86 O -0.0094 0.0003 -0.0026 1222 SER 87 N -0.0110 -0.0019 -0.0031 1223 SER 87 CA -0.0109 -0.0032 -0.0030 1224 SER 87 C -0.0097 -0.0048 -0.0026 1225 SER 87 O -0.0103 -0.0059 -0.0028 1226 SER 87 CB -0.0127 -0.0040 -0.0036 1227 SER 87 OG -0.0137 -0.0026 -0.0039 1228 ILE 88 N -0.0081 -0.0048 -0.0021 1229 ILE 88 CA -0.0068 -0.0061 -0.0017 1230 ILE 88 C -0.0071 -0.0081 -0.0018 1231 ILE 88 O -0.0074 -0.0092 -0.0019 1232 ILE 88 CB -0.0049 -0.0054 -0.0011 1233 ILE 88 CG1 -0.0045 -0.0036 -0.0010 1234 ILE 88 CG2 -0.0036 -0.0069 -0.0007 1235 ILE 88 CD1 -0.0029 -0.0027 -0.0005 1236 ALA 89 N -0.0070 -0.0026 -0.0028 1237 ALA 89 CA -0.0068 -0.0016 -0.0026 1238 ALA 89 C -0.0058 -0.0014 -0.0028 1239 ALA 89 O -0.0055 -0.0010 -0.0027 1240 ALA 89 CB -0.0074 -0.0010 -0.0022 1241 ALA 90 N -0.0053 -0.0017 -0.0030 1242 ALA 90 CA -0.0043 -0.0015 -0.0033 1243 ALA 90 C -0.0039 -0.0007 -0.0031 1244 ALA 90 O -0.0044 -0.0006 -0.0029 1245 ALA 90 CB -0.0038 -0.0024 -0.0037 1246 ALA 91 N -0.0032 -0.0002 -0.0032 1247 ALA 91 CA -0.0028 0.0005 -0.0030 1248 ALA 91 C -0.0018 0.0007 -0.0033 1249 ALA 91 O -0.0014 0.0009 -0.0033 1250 ALA 91 CB -0.0033 0.0014 -0.0026 1251 THR 92 N -0.0012 0.0006 -0.0035 1252 THR 92 CA -0.0002 0.0007 -0.0037 1253 THR 92 C 0.0001 0.0015 -0.0036 1254 THR 92 O -0.0003 0.0016 -0.0034 1255 THR 92 CB 0.0002 -0.0002 -0.0041 1256 THR 92 OG1 0.0000 -0.0004 -0.0041 1257 THR 92 CG2 -0.0001 -0.0010 -0.0043 1258 GLY 93 N 0.0036 0.0029 -0.0044 1259 GLY 93 CA 0.0038 0.0034 -0.0043 1260 GLY 93 C 0.0043 0.0033 -0.0042 1261 GLY 93 O 0.0045 0.0037 -0.0041 1262 PHE 94 N 0.0046 0.0029 -0.0041 1263 PHE 94 CA 0.0051 0.0028 -0.0040 1264 PHE 94 C 0.0051 0.0022 -0.0041 1265 PHE 94 O 0.0050 0.0019 -0.0041 1266 PHE 94 CB 0.0055 0.0030 -0.0039 1267 PHE 94 CG 0.0055 0.0035 -0.0039 1268 PHE 94 CD1 0.0058 0.0038 -0.0038 1269 PHE 94 CD2 0.0053 0.0038 -0.0039 1270 PHE 94 CE1 0.0058 0.0043 -0.0037 1271 PHE 94 CE2 0.0053 0.0043 -0.0038 1272 PHE 94 CZ 0.0056 0.0046 -0.0038 1273 VAL 95 N 0.0053 0.0021 -0.0040 1274 VAL 95 CA 0.0054 0.0016 -0.0040 1275 VAL 95 C 0.0060 0.0016 -0.0039 1276 VAL 95 O 0.0060 0.0019 -0.0039 1277 VAL 95 CB 0.0051 0.0014 -0.0041 1278 VAL 95 CG1 0.0053 0.0008 -0.0041 1279 VAL 95 CG2 0.0046 0.0013 -0.0043 1280 LYS 96 N 0.0063 0.0013 -0.0038 1281 LYS 96 CA 0.0068 0.0013 -0.0037 1282 LYS 96 C 0.0070 0.0008 -0.0037 1283 LYS 96 O 0.0067 0.0004 -0.0038 1284 LYS 96 CB 0.0072 0.0015 -0.0036 1285 LYS 96 CG 0.0071 0.0021 -0.0036 1286 LYS 96 CD 0.0073 0.0024 -0.0035 1287 LYS 96 CE 0.0072 0.0030 -0.0035 1288 LYS 96 NZ 0.0075 0.0032 -0.0034 1289 LYS 97 N 0.0067 0.0074 -0.0011 1290 LYS 97 CA 0.0066 0.0077 -0.0005 1291 LYS 97 C 0.0064 0.0076 -0.0000 1292 LYS 97 O 0.0064 0.0076 -0.0001 1293 LYS 97 CB 0.0071 0.0082 -0.0004 1294 LYS 97 CG 0.0071 0.0085 0.0002 1295 LYS 97 CD 0.0069 0.0083 0.0003 1296 LYS 97 CE 0.0068 0.0086 0.0010 1297 LYS 97 NZ 0.0074 0.0091 0.0010 1298 ASP 98 N 0.0060 0.0076 0.0006 1299 ASP 98 CA 0.0058 0.0076 0.0011 1300 ASP 98 C 0.0058 0.0079 0.0017 1301 ASP 98 O 0.0060 0.0081 0.0017 1302 ASP 98 CB 0.0052 0.0070 0.0011 1303 ASP 98 CG 0.0050 0.0070 0.0015 1304 ASP 98 OD1 0.0053 0.0074 0.0018 1305 ASP 98 OD2 0.0046 0.0066 0.0015 1306 GLN 99 N 0.0056 0.0079 0.0023 1307 GLN 99 CA 0.0056 0.0082 0.0029 1308 GLN 99 C 0.0053 0.0079 0.0031 1309 GLN 99 O 0.0054 0.0082 0.0033 1310 GLN 99 CB 0.0054 0.0083 0.0035 1311 GLN 99 CG 0.0054 0.0086 0.0041 1312 GLN 99 CD 0.0052 0.0086 0.0046 1313 GLN 99 OE1 0.0051 0.0084 0.0045 1314 GLN 99 NE2 0.0052 0.0089 0.0053 1315 VAL 37 N 0.0108 0.0061 0.0017 1316 VAL 37 CA 0.0122 0.0039 0.0011 1317 VAL 37 C 0.0071 0.0023 0.0001 1318 VAL 37 O 0.0066 0.0018 -0.0001 1319 VAL 37 CB 0.0153 0.0074 0.0026 1320 VAL 37 CG1 0.0208 0.0075 0.0031 1321 VAL 37 CG2 0.0129 0.0127 0.0039 1322 LEU 38 N 0.0033 0.0014 -0.0005 1323 LEU 38 CA -0.0018 -0.0001 -0.0015 1324 LEU 38 C -0.0016 -0.0054 -0.0031 1325 LEU 38 O -0.0037 -0.0063 -0.0036 1326 LEU 38 CB -0.0057 0.0002 -0.0018 1327 LEU 38 CG -0.0088 0.0050 -0.0006 1328 LEU 38 CD1 -0.0128 0.0063 -0.0006 1329 LEU 38 CD2 -0.0054 0.0095 0.0011 1330 TYR 39 N 0.0009 -0.0089 -0.0039 1331 TYR 39 CA 0.0018 -0.0141 -0.0055 1332 TYR 39 C -0.0034 -0.0167 -0.0068 1333 TYR 39 O -0.0044 -0.0182 -0.0073 1334 TYR 39 CB 0.0054 -0.0146 -0.0052 1335 TYR 39 CG 0.0110 -0.0133 -0.0043 1336 TYR 39 CD1 0.0144 -0.0167 -0.0050 1337 TYR 39 CD2 0.0129 -0.0087 -0.0027 1338 TYR 39 CE1 0.0195 -0.0156 -0.0042 1339 TYR 39 CE2 0.0180 -0.0075 -0.0018 1340 TYR 39 CZ 0.0213 -0.0110 -0.0026 1341 TYR 39 OH 0.0263 -0.0098 -0.0017 1342 VAL 40 N -0.0065 -0.0171 -0.0072 1343 VAL 40 CA -0.0114 -0.0197 -0.0085 1344 VAL 40 C -0.0105 -0.0253 -0.0101 1345 VAL 40 O -0.0129 -0.0278 -0.0112 1346 VAL 40 CB -0.0150 -0.0182 -0.0084 1347 VAL 40 CG1 -0.0201 -0.0209 -0.0098 1348 VAL 40 CG2 -0.0160 -0.0126 -0.0068 1349 GLY 41 N 0.0046 -0.0303 -0.0095 1350 GLY 41 CA 0.0042 -0.0285 -0.0089 1351 GLY 41 C 0.0022 -0.0281 -0.0089 1352 GLY 41 O 0.0014 -0.0272 -0.0087 1353 SER 42 N 0.0015 -0.0288 -0.0092 1354 SER 42 CA -0.0004 -0.0288 -0.0093 1355 SER 42 C -0.0012 -0.0271 -0.0088 1356 SER 42 O -0.0026 -0.0267 -0.0088 1357 SER 42 CB -0.0008 -0.0299 -0.0096 1358 SER 42 OG -0.0026 -0.0299 -0.0098 1359 LYS 43 N -0.0002 -0.0260 -0.0084 1360 LYS 43 CA -0.0007 -0.0242 -0.0079 1361 LYS 43 C 0.0010 -0.0232 -0.0075 1362 LYS 43 O 0.0016 -0.0235 -0.0075 1363 LYS 43 CB -0.0022 -0.0237 -0.0078 1364 LYS 43 CG -0.0028 -0.0219 -0.0073 1365 LYS 43 CD -0.0044 -0.0214 -0.0072 1366 LYS 43 CE -0.0051 -0.0196 -0.0067 1367 LYS 43 NZ -0.0038 -0.0183 -0.0062 1368 THR 44 N 0.0017 -0.0222 -0.0071 1369 THR 44 CA 0.0031 -0.0210 -0.0067 1370 THR 44 C 0.0025 -0.0192 -0.0062 1371 THR 44 O 0.0014 -0.0189 -0.0062 1372 THR 44 CB 0.0048 -0.0214 -0.0067 1373 THR 44 OG1 0.0045 -0.0212 -0.0067 1374 THR 44 CG2 0.0054 -0.0233 -0.0073 1375 LYS 45 N 0.0040 -0.0052 -0.0020 1376 LYS 45 CA 0.0036 -0.0041 -0.0010 1377 LYS 45 C 0.0049 -0.0037 -0.0003 1378 LYS 45 O 0.0056 -0.0036 -0.0001 1379 LYS 45 CB 0.0028 -0.0038 -0.0009 1380 LYS 45 CG 0.0022 -0.0028 0.0001 1381 LYS 45 CD 0.0013 -0.0026 0.0001 1382 LYS 45 CE 0.0007 -0.0016 0.0011 1383 LYS 45 NZ -0.0003 -0.0013 0.0011 1384 GLU 46 N 0.0052 -0.0034 0.0001 1385 GLU 46 CA 0.0066 -0.0032 0.0005 1386 GLU 46 C 0.0066 -0.0023 0.0014 1387 GLU 46 O 0.0061 -0.0022 0.0014 1388 GLU 46 CB 0.0074 -0.0040 -0.0002 1389 GLU 46 CG 0.0069 -0.0045 -0.0008 1390 GLU 46 CD 0.0076 -0.0055 -0.0016 1391 GLU 46 OE1 0.0086 -0.0058 -0.0017 1392 GLU 46 OE2 0.0073 -0.0059 -0.0021 1393 GLY 47 N 0.0072 -0.0016 0.0022 1394 GLY 47 CA 0.0071 -0.0007 0.0031 1395 GLY 47 C 0.0059 0.0000 0.0036 1396 GLY 47 O 0.0053 0.0005 0.0040 1397 VAL 48 N 0.0054 0.0001 0.0036 1398 VAL 48 CA 0.0041 0.0005 0.0038 1399 VAL 48 C 0.0043 0.0013 0.0046 1400 VAL 48 O 0.0051 0.0012 0.0047 1401 VAL 48 CB 0.0032 -0.0002 0.0029 1402 VAL 48 CG1 0.0019 0.0003 0.0032 1403 VAL 48 CG2 0.0031 -0.0010 0.0021 1404 VAL 49 N 0.0038 -0.0001 0.0061 1405 VAL 49 CA 0.0037 -0.0003 0.0057 1406 VAL 49 C 0.0042 -0.0004 0.0058 1407 VAL 49 O 0.0046 -0.0005 0.0057 1408 VAL 49 CB 0.0036 -0.0005 0.0053 1409 VAL 49 CG1 0.0036 -0.0007 0.0049 1410 VAL 49 CG2 0.0031 -0.0004 0.0052 1411 HIS 50 N 0.0041 -0.0003 0.0058 1412 HIS 50 CA 0.0045 -0.0004 0.0058 1413 HIS 50 C 0.0044 -0.0005 0.0056 1414 HIS 50 O 0.0041 -0.0004 0.0056 1415 HIS 50 CB 0.0048 -0.0003 0.0063 1416 HIS 50 CG 0.0045 -0.0000 0.0066 1417 HIS 50 ND1 0.0046 -0.0000 0.0067 1418 HIS 50 CD2 0.0042 0.0002 0.0069 1419 HIS 50 CE1 0.0043 0.0002 0.0070 1420 HIS 50 NE2 0.0041 0.0003 0.0071 1421 GLY 51 N 0.0048 -0.0007 0.0053 1422 GLY 51 CA 0.0047 -0.0008 0.0050 1423 GLY 51 C 0.0044 -0.0010 0.0046 1424 GLY 51 O 0.0040 -0.0009 0.0046 1425 VAL 52 N 0.0045 -0.0011 0.0043 1426 VAL 52 CA 0.0042 -0.0013 0.0038 1427 VAL 52 C 0.0045 -0.0015 0.0035 1428 VAL 52 O 0.0049 -0.0016 0.0034 1429 VAL 52 CB 0.0040 -0.0013 0.0038 1430 VAL 52 CG1 0.0037 -0.0014 0.0033 1431 VAL 52 CG2 0.0037 -0.0010 0.0041 1432 ALA 53 N 0.0047 -0.0024 0.0017 1433 ALA 53 CA 0.0050 -0.0021 0.0006 1434 ALA 53 C 0.0047 -0.0020 -0.0000 1435 ALA 53 O 0.0038 -0.0022 0.0001 1436 ALA 53 CB 0.0045 -0.0021 0.0002 1437 THR 54 N 0.0053 -0.0018 -0.0007 1438 THR 54 CA 0.0051 -0.0016 -0.0013 1439 THR 54 C 0.0055 -0.0013 -0.0024 1440 THR 54 O 0.0064 -0.0011 -0.0025 1441 THR 54 CB 0.0057 -0.0017 -0.0008 1442 THR 54 OG1 0.0052 -0.0020 0.0002 1443 THR 54 CG2 0.0055 -0.0016 -0.0014 1444 VAL 55 N 0.0049 -0.0013 -0.0032 1445 VAL 55 CA 0.0052 -0.0010 -0.0043 1446 VAL 55 C 0.0049 -0.0009 -0.0047 1447 VAL 55 O 0.0041 -0.0011 -0.0046 1448 VAL 55 CB 0.0046 -0.0009 -0.0049 1449 VAL 55 CG1 0.0049 -0.0006 -0.0060 1450 VAL 55 CG2 0.0049 -0.0010 -0.0044 1451 ALA 56 N 0.0057 -0.0006 -0.0052 1452 ALA 56 CA 0.0056 -0.0006 -0.0057 1453 ALA 56 C 0.0060 -0.0002 -0.0068 1454 ALA 56 O 0.0069 -0.0000 -0.0069 1455 ALA 56 CB 0.0061 -0.0006 -0.0051 1456 GLU 57 N 0.0053 0.0003 -0.0070 1457 GLU 57 CA 0.0052 -0.0000 -0.0068 1458 GLU 57 C 0.0049 -0.0006 -0.0060 1459 GLU 57 O 0.0051 -0.0013 -0.0059 1460 GLU 57 CB 0.0058 -0.0005 -0.0073 1461 GLU 57 CG 0.0062 -0.0000 -0.0081 1462 GLU 57 CD 0.0067 -0.0005 -0.0086 1463 GLU 57 OE1 0.0069 -0.0013 -0.0084 1464 GLU 57 OE2 0.0070 -0.0002 -0.0092 1465 LYS 58 N 0.0044 -0.0003 -0.0055 1466 LYS 58 CA 0.0040 -0.0007 -0.0047 1467 LYS 58 C 0.0038 -0.0008 -0.0044 1468 LYS 58 O 0.0035 -0.0002 -0.0042 1469 LYS 58 CB 0.0035 -0.0002 -0.0043 1470 LYS 58 CG 0.0037 -0.0001 -0.0046 1471 LYS 58 CD 0.0032 0.0003 -0.0041 1472 LYS 58 CE 0.0033 0.0004 -0.0044 1473 LYS 58 NZ 0.0029 0.0008 -0.0039 1474 THR 59 N 0.0040 -0.0016 -0.0042 1475 THR 59 CA 0.0038 -0.0018 -0.0039 1476 THR 59 C 0.0032 -0.0016 -0.0031 1477 THR 59 O 0.0029 -0.0014 -0.0029 1478 THR 59 CB 0.0042 -0.0027 -0.0040 1479 THR 59 OG1 0.0047 -0.0028 -0.0047 1480 THR 59 CG2 0.0041 -0.0029 -0.0038 1481 LYS 60 N 0.0029 -0.0018 -0.0027 1482 LYS 60 CA 0.0023 -0.0016 -0.0020 1483 LYS 60 C 0.0021 -0.0015 -0.0018 1484 LYS 60 O 0.0023 -0.0020 -0.0017 1485 LYS 60 CB 0.0022 -0.0024 -0.0014 1486 LYS 60 CG 0.0016 -0.0022 -0.0007 1487 LYS 60 CD 0.0015 -0.0029 -0.0002 1488 LYS 60 CE 0.0009 -0.0027 0.0006 1489 LYS 60 NZ 0.0008 -0.0034 0.0011 1490 GLU 61 N 0.0005 0.0007 -0.0006 1491 GLU 61 CA 0.0004 0.0008 -0.0003 1492 GLU 61 C -0.0001 0.0012 0.0005 1493 GLU 61 O -0.0005 0.0019 0.0005 1494 GLU 61 CB 0.0004 0.0014 -0.0011 1495 GLU 61 CG 0.0003 0.0015 -0.0009 1496 GLU 61 CD 0.0003 0.0020 -0.0016 1497 GLU 61 OE1 0.0005 0.0023 -0.0023 1498 GLU 61 OE2 0.0002 0.0021 -0.0016 1499 GLN 62 N -0.0001 0.0007 0.0012 1500 GLN 62 CA -0.0006 0.0009 0.0021 1501 GLN 62 C -0.0007 0.0008 0.0024 1502 GLN 62 O -0.0004 0.0001 0.0025 1503 GLN 62 CB -0.0006 0.0003 0.0027 1504 GLN 62 CG -0.0011 0.0006 0.0036 1505 GLN 62 CD -0.0011 0.0000 0.0042 1506 GLN 62 OE1 -0.0007 -0.0006 0.0039 1507 GLN 62 NE2 -0.0015 0.0002 0.0050 1508 VAL 63 N -0.0011 0.0015 0.0025 1509 VAL 63 CA -0.0013 0.0015 0.0029 1510 VAL 63 C -0.0018 0.0019 0.0037 1511 VAL 63 O -0.0022 0.0027 0.0037 1512 VAL 63 CB -0.0012 0.0020 0.0022 1513 VAL 63 CG1 -0.0014 0.0021 0.0026 1514 VAL 63 CG2 -0.0007 0.0017 0.0013 1515 THR 64 N -0.0019 0.0014 0.0045 1516 THR 64 CA -0.0023 0.0017 0.0053 1517 THR 64 C -0.0024 0.0013 0.0059 1518 THR 64 O -0.0022 0.0006 0.0062 1519 THR 64 CB -0.0024 0.0014 0.0058 1520 THR 64 OG1 -0.0021 0.0005 0.0061 1521 THR 64 CG2 -0.0023 0.0016 0.0052 1522 ASN 65 N -0.0014 0.0041 0.0053 1523 ASN 65 CA -0.0004 0.0041 0.0047 1524 ASN 65 C -0.0007 0.0040 0.0048 1525 ASN 65 O -0.0016 0.0039 0.0049 1526 ASN 65 CB -0.0002 0.0037 0.0036 1527 ASN 65 CG -0.0010 0.0032 0.0028 1528 ASN 65 OD1 -0.0016 0.0032 0.0028 1529 ASN 65 ND2 -0.0009 0.0030 0.0020 1530 VAL 66 N 0.0002 0.0041 0.0046 1531 VAL 66 CA 0.0001 0.0040 0.0043 1532 VAL 66 C 0.0007 0.0037 0.0033 1533 VAL 66 O 0.0015 0.0038 0.0030 1534 VAL 66 CB 0.0004 0.0044 0.0052 1535 VAL 66 CG1 0.0000 0.0047 0.0063 1536 VAL 66 CG2 0.0016 0.0046 0.0052 1537 GLY 67 N 0.0002 0.0034 0.0027 1538 GLY 67 CA 0.0007 0.0031 0.0016 1539 GLY 67 C 0.0009 0.0029 0.0008 1540 GLY 67 O 0.0013 0.0026 -0.0000 1541 GLY 68 N 0.0006 0.0029 0.0011 1542 GLY 68 CA 0.0009 0.0027 0.0004 1543 GLY 68 C -0.0000 0.0025 0.0002 1544 GLY 68 O -0.0009 0.0024 0.0006 1545 ALA 69 N -0.0016 0.0012 -0.0009 1546 ALA 69 CA -0.0018 0.0011 -0.0009 1547 ALA 69 C -0.0018 0.0011 -0.0009 1548 ALA 69 O -0.0017 0.0011 -0.0010 1549 ALA 69 CB -0.0018 0.0009 -0.0011 1550 VAL 70 N -0.0020 0.0011 -0.0008 1551 VAL 70 CA -0.0020 0.0012 -0.0007 1552 VAL 70 C -0.0022 0.0011 -0.0008 1553 VAL 70 O -0.0023 0.0010 -0.0007 1554 VAL 70 CB -0.0020 0.0013 -0.0005 1555 VAL 70 CG1 -0.0021 0.0014 -0.0004 1556 VAL 70 CG2 -0.0018 0.0014 -0.0005 1557 VAL 71 N -0.0022 0.0010 -0.0008 1558 VAL 71 CA -0.0023 0.0009 -0.0009 1559 VAL 71 C -0.0023 0.0010 -0.0007 1560 VAL 71 O -0.0022 0.0011 -0.0007 1561 VAL 71 CB -0.0023 0.0008 -0.0011 1562 VAL 71 CG1 -0.0024 0.0007 -0.0011 1563 VAL 71 CG2 -0.0022 0.0007 -0.0012 1564 THR 72 N -0.0025 0.0010 -0.0007 1565 THR 72 CA -0.0026 0.0011 -0.0005 1566 THR 72 C -0.0027 0.0010 -0.0006 1567 THR 72 O -0.0029 0.0010 -0.0006 1568 THR 72 CB -0.0026 0.0012 -0.0003 1569 THR 72 OG1 -0.0028 0.0012 -0.0003 1570 THR 72 CG2 -0.0025 0.0013 -0.0003 1571 GLY 73 N -0.0013 -0.0018 -0.0006 1572 GLY 73 CA -0.0009 -0.0018 0.0000 1573 GLY 73 C -0.0006 -0.0019 0.0005 1574 GLY 73 O -0.0001 -0.0023 0.0007 1575 VAL 74 N -0.0008 -0.0015 0.0008 1576 VAL 74 CA -0.0004 -0.0016 0.0013 1577 VAL 74 C -0.0003 -0.0013 0.0019 1578 VAL 74 O -0.0006 -0.0009 0.0019 1579 VAL 74 CB -0.0006 -0.0014 0.0012 1580 VAL 74 CG1 -0.0008 -0.0016 0.0006 1581 VAL 74 CG2 -0.0010 -0.0008 0.0015 1582 THR 75 N 0.0001 -0.0015 0.0024 1583 THR 75 CA 0.0002 -0.0012 0.0030 1584 THR 75 C 0.0005 -0.0012 0.0035 1585 THR 75 O 0.0008 -0.0016 0.0035 1586 THR 75 CB 0.0005 -0.0016 0.0030 1587 THR 75 OG1 0.0002 -0.0016 0.0025 1588 THR 75 CG2 0.0006 -0.0013 0.0036 1589 ALA 76 N 0.0004 -0.0008 0.0041 1590 ALA 76 CA 0.0007 -0.0007 0.0047 1591 ALA 76 C 0.0007 -0.0008 0.0046 1592 ALA 76 O 0.0011 -0.0011 0.0048 1593 ALA 76 CB 0.0012 -0.0011 0.0050 1594 VAL 77 N 0.0026 -0.0037 0.0043 1595 VAL 77 CA 0.0020 -0.0036 0.0039 1596 VAL 77 C 0.0019 -0.0024 0.0039 1597 VAL 77 O 0.0018 -0.0018 0.0040 1598 VAL 77 CB 0.0012 -0.0039 0.0032 1599 VAL 77 CG1 0.0005 -0.0038 0.0027 1600 VAL 77 CG2 0.0013 -0.0050 0.0031 1601 ALA 78 N 0.0019 -0.0022 0.0040 1602 ALA 78 CA 0.0019 -0.0012 0.0041 1603 ALA 78 C 0.0015 -0.0010 0.0038 1604 ALA 78 O 0.0018 -0.0013 0.0040 1605 ALA 78 CB 0.0028 -0.0008 0.0048 1606 GLN 79 N 0.0007 -0.0005 0.0033 1607 GLN 79 CA 0.0003 -0.0003 0.0030 1608 GLN 79 C 0.0002 0.0008 0.0030 1609 GLN 79 O 0.0003 0.0015 0.0032 1610 GLN 79 CB -0.0006 -0.0007 0.0023 1611 GLN 79 CG -0.0011 -0.0002 0.0019 1612 GLN 79 CD -0.0019 -0.0006 0.0012 1613 GLN 79 OE1 -0.0021 -0.0014 0.0010 1614 GLN 79 NE2 -0.0025 -0.0002 0.0008 1615 LYS 80 N -0.0000 0.0011 0.0029 1616 LYS 80 CA -0.0003 0.0021 0.0028 1617 LYS 80 C -0.0011 0.0021 0.0022 1618 LYS 80 O -0.0012 0.0013 0.0020 1619 LYS 80 CB 0.0003 0.0027 0.0034 1620 LYS 80 CG 0.0001 0.0038 0.0034 1621 LYS 80 CD 0.0007 0.0043 0.0039 1622 LYS 80 CE 0.0004 0.0055 0.0038 1623 LYS 80 NZ 0.0009 0.0060 0.0043 1624 THR 81 N -0.0050 0.0073 0.0031 1625 THR 81 CA -0.0083 0.0081 0.0023 1626 THR 81 C -0.0094 0.0121 0.0029 1627 THR 81 O -0.0099 0.0136 0.0030 1628 THR 81 CB -0.0114 0.0057 0.0010 1629 THR 81 OG1 -0.0103 0.0019 0.0006 1630 THR 81 CG2 -0.0148 0.0065 0.0003 1631 VAL 82 N -0.0098 0.0140 0.0032 1632 VAL 82 CA -0.0113 0.0178 0.0035 1633 VAL 82 C -0.0152 0.0176 0.0024 1634 VAL 82 O -0.0157 0.0162 0.0020 1635 VAL 82 CB -0.0090 0.0202 0.0046 1636 VAL 82 CG1 -0.0109 0.0240 0.0049 1637 VAL 82 CG2 -0.0053 0.0205 0.0057 1638 GLU 83 N -0.0178 0.0190 0.0020 1639 GLU 83 CA -0.0217 0.0192 0.0009 1640 GLU 83 C -0.0231 0.0154 -0.0002 1641 GLU 83 O -0.0243 0.0146 -0.0007 1642 GLU 83 CB -0.0226 0.0220 0.0012 1643 GLU 83 CG -0.0218 0.0259 0.0023 1644 GLU 83 CD -0.0228 0.0286 0.0025 1645 GLU 83 OE1 -0.0238 0.0273 0.0020 1646 GLU 83 OE2 -0.0225 0.0319 0.0033 1647 GLY 84 N -0.0230 0.0131 -0.0007 1648 GLY 84 CA -0.0245 0.0095 -0.0018 1649 GLY 84 C -0.0239 0.0075 -0.0021 1650 GLY 84 O -0.0222 0.0088 -0.0013 1651 ALA 85 N -0.0171 0.0096 -0.0031 1652 ALA 85 CA -0.0167 0.0082 -0.0030 1653 ALA 85 C -0.0154 0.0061 -0.0027 1654 ALA 85 O -0.0159 0.0051 -0.0028 1655 ALA 85 CB -0.0189 0.0075 -0.0035 1656 GLY 86 N -0.0138 0.0055 -0.0023 1657 GLY 86 CA -0.0126 0.0036 -0.0020 1658 GLY 86 C -0.0123 0.0020 -0.0019 1659 GLY 86 O -0.0112 0.0025 -0.0017 1660 SER 87 N -0.0132 -0.0000 -0.0021 1661 SER 87 CA -0.0131 -0.0018 -0.0020 1662 SER 87 C -0.0116 -0.0036 -0.0016 1663 SER 87 O -0.0124 -0.0048 -0.0018 1664 SER 87 CB -0.0153 -0.0027 -0.0025 1665 SER 87 OG -0.0165 -0.0011 -0.0028 1666 ILE 88 N -0.0096 -0.0038 -0.0012 1667 ILE 88 CA -0.0080 -0.0052 -0.0008 1668 ILE 88 C -0.0085 -0.0076 -0.0008 1669 ILE 88 O -0.0089 -0.0089 -0.0009 1670 ILE 88 CB -0.0057 -0.0045 -0.0003 1671 ILE 88 CG1 -0.0052 -0.0022 -0.0002 1672 ILE 88 CG2 -0.0041 -0.0062 0.0001 1673 ILE 88 CD1 -0.0032 -0.0012 0.0002 1674 ALA 89 N -0.0079 -0.0018 -0.0016 1675 ALA 89 CA -0.0076 -0.0008 -0.0016 1676 ALA 89 C -0.0067 -0.0006 -0.0018 1677 ALA 89 O -0.0066 -0.0001 -0.0018 1678 ALA 89 CB -0.0084 -0.0001 -0.0013 1679 ALA 90 N -0.0059 -0.0009 -0.0021 1680 ALA 90 CA -0.0050 -0.0007 -0.0024 1681 ALA 90 C -0.0045 0.0001 -0.0024 1682 ALA 90 O -0.0048 0.0002 -0.0023 1683 ALA 90 CB -0.0044 -0.0016 -0.0026 1684 ALA 91 N -0.0038 0.0006 -0.0026 1685 ALA 91 CA -0.0034 0.0014 -0.0027 1686 ALA 91 C -0.0024 0.0016 -0.0030 1687 ALA 91 O -0.0022 0.0018 -0.0030 1688 ALA 91 CB -0.0039 0.0024 -0.0025 1689 THR 92 N -0.0017 0.0015 -0.0032 1690 THR 92 CA -0.0007 0.0016 -0.0035 1691 THR 92 C -0.0002 0.0024 -0.0036 1692 THR 92 O -0.0005 0.0025 -0.0035 1693 THR 92 CB -0.0001 0.0007 -0.0037 1694 THR 92 OG1 -0.0001 0.0004 -0.0038 1695 THR 92 CG2 -0.0006 -0.0002 -0.0036 1696 GLY 93 N 0.0026 0.0038 -0.0047 1697 GLY 93 CA 0.0029 0.0040 -0.0053 1698 GLY 93 C 0.0035 0.0038 -0.0055 1699 GLY 93 O 0.0040 0.0038 -0.0058 1700 PHE 94 N 0.0035 0.0037 -0.0052 1701 PHE 94 CA 0.0040 0.0035 -0.0054 1702 PHE 94 C 0.0040 0.0031 -0.0048 1703 PHE 94 O 0.0035 0.0031 -0.0045 1704 PHE 94 CB 0.0040 0.0038 -0.0058 1705 PHE 94 CG 0.0041 0.0042 -0.0064 1706 PHE 94 CD1 0.0047 0.0041 -0.0068 1707 PHE 94 CD2 0.0036 0.0046 -0.0066 1708 PHE 94 CE1 0.0048 0.0045 -0.0073 1709 PHE 94 CE2 0.0037 0.0049 -0.0071 1710 PHE 94 CZ 0.0043 0.0049 -0.0074 1711 VAL 95 N 0.0045 0.0027 -0.0047 1712 VAL 95 CA 0.0046 0.0023 -0.0043 1713 VAL 95 C 0.0052 0.0022 -0.0046 1714 VAL 95 O 0.0057 0.0021 -0.0048 1715 VAL 95 CB 0.0047 0.0019 -0.0038 1716 VAL 95 CG1 0.0048 0.0015 -0.0034 1717 VAL 95 CG2 0.0041 0.0020 -0.0035 1718 LYS 96 N 0.0051 0.0022 -0.0045 1719 LYS 96 CA 0.0056 0.0021 -0.0048 1720 LYS 96 C 0.0057 0.0017 -0.0043 1721 LYS 96 O 0.0053 0.0016 -0.0038 1722 LYS 96 CB 0.0055 0.0026 -0.0053 1723 LYS 96 CG 0.0055 0.0029 -0.0058 1724 LYS 96 CD 0.0061 0.0028 -0.0061 1725 LYS 96 CE 0.0061 0.0032 -0.0066 1726 LYS 96 NZ 0.0059 0.0036 -0.0070 1727 LYS 97 N 0.0059 0.0072 -0.0018 1728 LYS 97 CA 0.0057 0.0078 -0.0010 1729 LYS 97 C 0.0051 0.0077 -0.0003 1730 LYS 97 O 0.0051 0.0076 -0.0004 1731 LYS 97 CB 0.0064 0.0087 -0.0010 1732 LYS 97 CG 0.0063 0.0094 -0.0002 1733 LYS 97 CD 0.0062 0.0092 -0.0002 1734 LYS 97 CE 0.0061 0.0098 0.0006 1735 LYS 97 NZ 0.0067 0.0107 0.0006 1736 ASP 98 N 0.0046 0.0078 0.0004 1737 ASP 98 CA 0.0041 0.0078 0.0012 1738 ASP 98 C 0.0041 0.0085 0.0020 1739 ASP 98 O 0.0045 0.0090 0.0018 1740 ASP 98 CB 0.0033 0.0070 0.0013 1741 ASP 98 CG 0.0028 0.0069 0.0019 1742 ASP 98 OD1 0.0030 0.0075 0.0023 1743 ASP 98 OD2 0.0022 0.0062 0.0020 1744 GLN 99 N 0.0035 0.0086 0.0028 1745 GLN 99 CA 0.0034 0.0093 0.0035 1746 GLN 99 C 0.0032 0.0090 0.0037 1747 GLN 99 O 0.0035 0.0095 0.0038 1748 GLN 99 CB 0.0029 0.0093 0.0043 1749 GLN 99 CG 0.0028 0.0100 0.0052 1750 GLN 99 CD 0.0023 0.0101 0.0059 1751 GLN 99 OE1 0.0020 0.0096 0.0059 1752 GLN 99 NE2 0.0022 0.0107 0.0067 1753 VAL 37 N 0.0091 0.0155 0.0032 1754 VAL 37 CA 0.0111 0.0132 0.0030 1755 VAL 37 C 0.0049 0.0117 0.0014 1756 VAL 37 O 0.0046 0.0117 0.0013 1757 VAL 37 CB 0.0152 0.0179 0.0051 1758 VAL 37 CG1 0.0219 0.0175 0.0064 1759 VAL 37 CG2 0.0124 0.0247 0.0062 1760 LEU 38 N 0.0000 0.0103 -0.0000 1761 LEU 38 CA -0.0062 0.0090 -0.0017 1762 LEU 38 C -0.0059 0.0026 -0.0032 1763 LEU 38 O -0.0083 0.0021 -0.0038 1764 LEU 38 CB -0.0113 0.0091 -0.0028 1765 LEU 38 CG -0.0151 0.0151 -0.0021 1766 LEU 38 CD1 -0.0198 0.0175 -0.0025 1767 LEU 38 CD2 -0.0109 0.0205 0.0002 1768 TYR 39 N -0.0031 -0.0024 -0.0038 1769 TYR 39 CA -0.0021 -0.0089 -0.0052 1770 TYR 39 C -0.0084 -0.0117 -0.0073 1771 TYR 39 O -0.0095 -0.0129 -0.0078 1772 TYR 39 CB 0.0028 -0.0090 -0.0042 1773 TYR 39 CG 0.0096 -0.0079 -0.0025 1774 TYR 39 CD1 0.0135 -0.0127 -0.0028 1775 TYR 39 CD2 0.0121 -0.0020 -0.0005 1776 TYR 39 CE1 0.0198 -0.0117 -0.0012 1777 TYR 39 CE2 0.0184 -0.0009 0.0011 1778 TYR 39 CZ 0.0222 -0.0058 0.0007 1779 TYR 39 OH 0.0284 -0.0047 0.0023 1780 VAL 40 N -0.0126 -0.0126 -0.0084 1781 VAL 40 CA -0.0187 -0.0154 -0.0104 1782 VAL 40 C -0.0176 -0.0226 -0.0119 1783 VAL 40 O -0.0205 -0.0252 -0.0132 1784 VAL 40 CB -0.0234 -0.0140 -0.0110 1785 VAL 40 CG1 -0.0297 -0.0171 -0.0132 1786 VAL 40 CG2 -0.0245 -0.0068 -0.0095 1787 GLY 41 N 0.0008 -0.0294 -0.0106 1788 GLY 41 CA 0.0005 -0.0281 -0.0103 1789 GLY 41 C -0.0009 -0.0277 -0.0104 1790 GLY 41 O -0.0015 -0.0270 -0.0103 1791 SER 42 N -0.0014 -0.0284 -0.0107 1792 SER 42 CA -0.0028 -0.0284 -0.0109 1793 SER 42 C -0.0033 -0.0270 -0.0106 1794 SER 42 O -0.0044 -0.0267 -0.0107 1795 SER 42 CB -0.0031 -0.0293 -0.0112 1796 SER 42 OG -0.0044 -0.0292 -0.0115 1797 LYS 43 N -0.0027 -0.0263 -0.0103 1798 LYS 43 CA -0.0030 -0.0250 -0.0099 1799 LYS 43 C -0.0018 -0.0244 -0.0096 1800 LYS 43 O -0.0013 -0.0247 -0.0096 1801 LYS 43 CB -0.0041 -0.0247 -0.0100 1802 LYS 43 CG -0.0045 -0.0233 -0.0097 1803 LYS 43 CD -0.0057 -0.0230 -0.0098 1804 LYS 43 CE -0.0061 -0.0217 -0.0095 1805 LYS 43 NZ -0.0052 -0.0208 -0.0091 1806 THR 44 N -0.0012 -0.0236 -0.0092 1807 THR 44 CA -0.0002 -0.0228 -0.0088 1808 THR 44 C -0.0006 -0.0214 -0.0085 1809 THR 44 O -0.0014 -0.0211 -0.0085 1810 THR 44 CB 0.0011 -0.0231 -0.0087 1811 THR 44 OG1 0.0009 -0.0227 -0.0086 1812 THR 44 CG2 0.0015 -0.0245 -0.0090 1813 LYS 45 N 0.0032 -0.0066 -0.0049 1814 LYS 45 CA 0.0026 -0.0053 -0.0035 1815 LYS 45 C 0.0044 -0.0047 -0.0027 1816 LYS 45 O 0.0054 -0.0045 -0.0024 1817 LYS 45 CB 0.0016 -0.0049 -0.0032 1818 LYS 45 CG 0.0008 -0.0036 -0.0018 1819 LYS 45 CD -0.0004 -0.0032 -0.0016 1820 LYS 45 CE -0.0012 -0.0019 -0.0003 1821 LYS 45 NZ -0.0025 -0.0016 -0.0000 1822 GLU 46 N 0.0048 -0.0043 -0.0022 1823 GLU 46 CA 0.0067 -0.0040 -0.0017 1824 GLU 46 C 0.0067 -0.0029 -0.0005 1825 GLU 46 O 0.0060 -0.0029 -0.0006 1826 GLU 46 CB 0.0078 -0.0051 -0.0028 1827 GLU 46 CG 0.0070 -0.0059 -0.0037 1828 GLU 46 CD 0.0080 -0.0071 -0.0049 1829 GLU 46 OE1 0.0094 -0.0074 -0.0051 1830 GLU 46 OE2 0.0076 -0.0078 -0.0057 1831 GLY 47 N 0.0075 -0.0019 0.0006 1832 GLY 47 CA 0.0074 -0.0008 0.0019 1833 GLY 47 C 0.0058 0.0001 0.0026 1834 GLY 47 O 0.0050 0.0007 0.0031 1835 VAL 48 N 0.0052 0.0002 0.0027 1836 VAL 48 CA 0.0034 0.0008 0.0031 1837 VAL 48 C 0.0037 0.0019 0.0044 1838 VAL 48 O 0.0048 0.0018 0.0044 1839 VAL 48 CB 0.0022 -0.0001 0.0020 1840 VAL 48 CG1 0.0004 0.0005 0.0024 1841 VAL 48 CG2 0.0020 -0.0012 0.0008 1842 VAL 49 N 0.0031 0.0001 0.0059 1843 VAL 49 CA 0.0030 -0.0001 0.0056 1844 VAL 49 C 0.0034 -0.0001 0.0056 1845 VAL 49 O 0.0038 -0.0002 0.0056 1846 VAL 49 CB 0.0029 -0.0002 0.0052 1847 VAL 49 CG1 0.0029 -0.0004 0.0049 1848 VAL 49 CG2 0.0025 -0.0001 0.0052 1849 HIS 50 N 0.0033 -0.0001 0.0056 1850 HIS 50 CA 0.0037 -0.0002 0.0056 1851 HIS 50 C 0.0036 -0.0003 0.0054 1852 HIS 50 O 0.0033 -0.0002 0.0055 1853 HIS 50 CB 0.0039 -0.0000 0.0061 1854 HIS 50 CG 0.0037 0.0001 0.0064 1855 HIS 50 ND1 0.0037 0.0002 0.0064 1856 HIS 50 CD2 0.0034 0.0003 0.0066 1857 HIS 50 CE1 0.0035 0.0003 0.0067 1858 HIS 50 NE2 0.0033 0.0004 0.0068 1859 GLY 51 N 0.0039 -0.0004 0.0052 1860 GLY 51 CA 0.0039 -0.0005 0.0050 1861 GLY 51 C 0.0036 -0.0006 0.0046 1862 GLY 51 O 0.0032 -0.0006 0.0046 1863 VAL 52 N 0.0037 -0.0008 0.0043 1864 VAL 52 CA 0.0034 -0.0009 0.0039 1865 VAL 52 C 0.0036 -0.0011 0.0036 1866 VAL 52 O 0.0040 -0.0012 0.0035 1867 VAL 52 CB 0.0032 -0.0009 0.0039 1868 VAL 52 CG1 0.0030 -0.0010 0.0035 1869 VAL 52 CG2 0.0030 -0.0007 0.0042 1870 ALA 53 N 0.0039 -0.0021 0.0019 1871 ALA 53 CA 0.0042 -0.0019 0.0008 1872 ALA 53 C 0.0038 -0.0018 0.0002 1873 ALA 53 O 0.0029 -0.0020 0.0003 1874 ALA 53 CB 0.0038 -0.0019 0.0003 1875 THR 54 N 0.0044 -0.0016 -0.0006 1876 THR 54 CA 0.0042 -0.0016 -0.0012 1877 THR 54 C 0.0046 -0.0013 -0.0023 1878 THR 54 O 0.0056 -0.0011 -0.0024 1879 THR 54 CB 0.0046 -0.0016 -0.0006 1880 THR 54 OG1 0.0042 -0.0018 0.0005 1881 THR 54 CG2 0.0044 -0.0015 -0.0012 1882 VAL 55 N 0.0039 -0.0013 -0.0031 1883 VAL 55 CA 0.0043 -0.0011 -0.0042 1884 VAL 55 C 0.0039 -0.0011 -0.0047 1885 VAL 55 O 0.0030 -0.0013 -0.0046 1886 VAL 55 CB 0.0038 -0.0011 -0.0049 1887 VAL 55 CG1 0.0040 -0.0009 -0.0061 1888 VAL 55 CG2 0.0042 -0.0011 -0.0045 1889 ALA 56 N 0.0047 -0.0009 -0.0052 1890 ALA 56 CA 0.0044 -0.0009 -0.0057 1891 ALA 56 C 0.0049 -0.0006 -0.0069 1892 ALA 56 O 0.0059 -0.0004 -0.0070 1893 ALA 56 CB 0.0049 -0.0009 -0.0051 1894 GLU 57 N 0.0044 -0.0007 -0.0070 1895 GLU 57 CA 0.0044 -0.0009 -0.0070 1896 GLU 57 C 0.0040 -0.0014 -0.0063 1897 GLU 57 O 0.0041 -0.0021 -0.0062 1898 GLU 57 CB 0.0048 -0.0014 -0.0076 1899 GLU 57 CG 0.0052 -0.0009 -0.0082 1900 GLU 57 CD 0.0056 -0.0014 -0.0088 1901 GLU 57 OE1 0.0056 -0.0021 -0.0087 1902 GLU 57 OE2 0.0059 -0.0010 -0.0094 1903 LYS 58 N 0.0037 -0.0011 -0.0058 1904 LYS 58 CA 0.0033 -0.0015 -0.0052 1905 LYS 58 C 0.0032 -0.0015 -0.0050 1906 LYS 58 O 0.0031 -0.0009 -0.0049 1907 LYS 58 CB 0.0030 -0.0010 -0.0047 1908 LYS 58 CG 0.0030 -0.0010 -0.0047 1909 LYS 58 CD 0.0027 -0.0006 -0.0042 1910 LYS 58 CE 0.0027 -0.0006 -0.0043 1911 LYS 58 NZ 0.0024 -0.0002 -0.0038 1912 THR 59 N 0.0033 -0.0022 -0.0050 1913 THR 59 CA 0.0032 -0.0023 -0.0048 1914 THR 59 C 0.0028 -0.0021 -0.0041 1915 THR 59 O 0.0027 -0.0018 -0.0040 1916 THR 59 CB 0.0034 -0.0031 -0.0050 1917 THR 59 OG1 0.0039 -0.0032 -0.0057 1918 THR 59 CG2 0.0034 -0.0032 -0.0049 1919 LYS 60 N 0.0025 -0.0023 -0.0036 1920 LYS 60 CA 0.0021 -0.0021 -0.0029 1921 LYS 60 C 0.0018 -0.0020 -0.0026 1922 LYS 60 O 0.0019 -0.0026 -0.0025 1923 LYS 60 CB 0.0019 -0.0028 -0.0026 1924 LYS 60 CG 0.0015 -0.0026 -0.0019 1925 LYS 60 CD 0.0013 -0.0032 -0.0016 1926 LYS 60 CE 0.0009 -0.0030 -0.0009 1927 LYS 60 NZ 0.0008 -0.0036 -0.0005 1928 GLU 61 N 0.0006 -0.0000 -0.0013 1929 GLU 61 CA 0.0005 0.0000 -0.0010 1930 GLU 61 C 0.0001 0.0003 -0.0003 1931 GLU 61 O -0.0000 0.0009 -0.0003 1932 GLU 61 CB 0.0006 0.0005 -0.0015 1933 GLU 61 CG 0.0004 0.0006 -0.0012 1934 GLU 61 CD 0.0005 0.0011 -0.0016 1935 GLU 61 OE1 0.0007 0.0013 -0.0022 1936 GLU 61 OE2 0.0004 0.0012 -0.0015 1937 GLN 62 N -0.0000 -0.0001 0.0002 1938 GLN 62 CA -0.0003 0.0001 0.0009 1939 GLN 62 C -0.0005 0.0001 0.0013 1940 GLN 62 O -0.0004 -0.0005 0.0014 1941 GLN 62 CB -0.0004 -0.0004 0.0013 1942 GLN 62 CG -0.0007 -0.0002 0.0020 1943 GLN 62 CD -0.0008 -0.0007 0.0023 1944 GLN 62 OE1 -0.0005 -0.0011 0.0020 1945 GLN 62 NE2 -0.0011 -0.0005 0.0029 1946 VAL 63 N -0.0007 0.0007 0.0015 1947 VAL 63 CA -0.0009 0.0007 0.0019 1948 VAL 63 C -0.0013 0.0010 0.0025 1949 VAL 63 O -0.0014 0.0017 0.0026 1950 VAL 63 CB -0.0008 0.0011 0.0015 1951 VAL 63 CG1 -0.0010 0.0011 0.0019 1952 VAL 63 CG2 -0.0005 0.0008 0.0008 1953 THR 64 N -0.0014 0.0006 0.0031 1954 THR 64 CA -0.0017 0.0008 0.0038 1955 THR 64 C -0.0019 0.0005 0.0043 1956 THR 64 O -0.0018 -0.0001 0.0045 1957 THR 64 CB -0.0018 0.0005 0.0040 1958 THR 64 OG1 -0.0017 -0.0002 0.0042 1959 THR 64 CG2 -0.0016 0.0007 0.0034 1960 ASN 65 N -0.0013 0.0034 0.0036 1961 ASN 65 CA -0.0008 0.0036 0.0029 1962 ASN 65 C -0.0011 0.0034 0.0026 1963 ASN 65 O -0.0018 0.0030 0.0028 1964 ASN 65 CB -0.0005 0.0036 0.0021 1965 ASN 65 CG -0.0012 0.0031 0.0015 1966 ASN 65 OD1 -0.0017 0.0028 0.0013 1967 ASN 65 ND2 -0.0011 0.0031 0.0010 1968 VAL 66 N -0.0006 0.0036 0.0022 1969 VAL 66 CA -0.0008 0.0034 0.0017 1970 VAL 66 C -0.0005 0.0035 0.0007 1971 VAL 66 O 0.0002 0.0038 0.0005 1972 VAL 66 CB -0.0007 0.0036 0.0021 1973 VAL 66 CG1 -0.0009 0.0036 0.0032 1974 VAL 66 CG2 0.0002 0.0040 0.0019 1975 GLY 67 N -0.0009 0.0031 0.0000 1976 GLY 67 CA -0.0006 0.0031 -0.0009 1977 GLY 67 C -0.0004 0.0032 -0.0014 1978 GLY 67 O -0.0002 0.0032 -0.0022 1979 GLY 68 N -0.0004 0.0032 -0.0008 1980 GLY 68 CA -0.0001 0.0034 -0.0012 1981 GLY 68 C -0.0007 0.0030 -0.0010 1982 GLY 68 O -0.0014 0.0027 -0.0006 1983 ALA 69 N -0.0024 0.0017 -0.0016 1984 ALA 69 CA -0.0025 0.0016 -0.0015 1985 ALA 69 C -0.0025 0.0017 -0.0014 1986 ALA 69 O -0.0025 0.0017 -0.0014 1987 ALA 69 CB -0.0025 0.0015 -0.0016 1988 VAL 70 N -0.0026 0.0017 -0.0012 1989 VAL 70 CA -0.0027 0.0017 -0.0011 1990 VAL 70 C -0.0027 0.0016 -0.0010 1991 VAL 70 O -0.0027 0.0015 -0.0010 1992 VAL 70 CB -0.0027 0.0018 -0.0011 1993 VAL 70 CG1 -0.0027 0.0019 -0.0009 1994 VAL 70 CG2 -0.0026 0.0020 -0.0012 1995 VAL 71 N -0.0027 0.0017 -0.0009 1996 VAL 71 CA -0.0028 0.0016 -0.0008 1997 VAL 71 C -0.0029 0.0017 -0.0007 1998 VAL 71 O -0.0029 0.0018 -0.0007 1999 VAL 71 CB -0.0028 0.0015 -0.0008 2000 VAL 71 CG1 -0.0029 0.0014 -0.0007 2001 VAL 71 CG2 -0.0027 0.0014 -0.0010 2002 THR 72 N -0.0029 0.0016 -0.0006 2003 THR 72 CA -0.0030 0.0017 -0.0004 2004 THR 72 C -0.0031 0.0016 -0.0003 2005 THR 72 O -0.0031 0.0015 -0.0003 2006 THR 72 CB -0.0030 0.0017 -0.0004 2007 THR 72 OG1 -0.0030 0.0016 -0.0004 2008 THR 72 CG2 -0.0029 0.0018 -0.0005 2009 GLY 73 N -0.0019 -0.0013 -0.0005 2010 GLY 73 CA -0.0015 -0.0014 0.0001 2011 GLY 73 C -0.0011 -0.0014 0.0006 2012 GLY 73 O -0.0006 -0.0018 0.0008 2013 VAL 74 N -0.0013 -0.0010 0.0009 2014 VAL 74 CA -0.0009 -0.0010 0.0015 2015 VAL 74 C -0.0008 -0.0007 0.0021 2016 VAL 74 O -0.0012 -0.0004 0.0021 2017 VAL 74 CB -0.0011 -0.0008 0.0015 2018 VAL 74 CG1 -0.0013 -0.0010 0.0009 2019 VAL 74 CG2 -0.0015 -0.0002 0.0018 2020 THR 75 N -0.0003 -0.0009 0.0026 2021 THR 75 CA -0.0002 -0.0006 0.0032 2022 THR 75 C 0.0002 -0.0006 0.0038 2023 THR 75 O 0.0005 -0.0010 0.0037 2024 THR 75 CB 0.0002 -0.0010 0.0031 2025 THR 75 OG1 -0.0001 -0.0011 0.0026 2026 THR 75 CG2 0.0003 -0.0008 0.0037 2027 ALA 76 N 0.0001 -0.0001 0.0043 2028 ALA 76 CA 0.0004 -0.0000 0.0050 2029 ALA 76 C 0.0004 -0.0001 0.0049 2030 ALA 76 O 0.0008 -0.0003 0.0052 2031 ALA 76 CB 0.0010 -0.0004 0.0053 2032 VAL 77 N 0.0022 -0.0028 0.0046 2033 VAL 77 CA 0.0014 -0.0026 0.0042 2034 VAL 77 C 0.0015 -0.0015 0.0040 2035 VAL 77 O 0.0016 -0.0010 0.0040 2036 VAL 77 CB 0.0006 -0.0030 0.0038 2037 VAL 77 CG1 -0.0002 -0.0027 0.0034 2038 VAL 77 CG2 0.0006 -0.0041 0.0040 2039 ALA 78 N 0.0013 -0.0011 0.0039 2040 ALA 78 CA 0.0014 0.0000 0.0038 2041 ALA 78 C 0.0008 0.0004 0.0034 2042 ALA 78 O 0.0010 0.0002 0.0035 2043 ALA 78 CB 0.0024 0.0003 0.0042 2044 GLN 79 N 0.0001 0.0008 0.0030 2045 GLN 79 CA -0.0005 0.0012 0.0027 2046 GLN 79 C -0.0005 0.0023 0.0025 2047 GLN 79 O -0.0001 0.0028 0.0026 2048 GLN 79 CB -0.0015 0.0008 0.0022 2049 GLN 79 CG -0.0019 0.0011 0.0020 2050 GLN 79 CD -0.0028 0.0007 0.0016 2051 GLN 79 OE1 -0.0032 0.0001 0.0015 2052 GLN 79 NE2 -0.0032 0.0009 0.0013 2053 LYS 80 N -0.0008 0.0027 0.0023 2054 LYS 80 CA -0.0010 0.0038 0.0020 2055 LYS 80 C -0.0020 0.0038 0.0015 2056 LYS 80 O -0.0023 0.0032 0.0015 2057 LYS 80 CB -0.0004 0.0044 0.0023 2058 LYS 80 CG -0.0005 0.0055 0.0021 2059 LYS 80 CD 0.0001 0.0061 0.0023 2060 LYS 80 CE -0.0001 0.0072 0.0020 2061 LYS 80 NZ 0.0005 0.0079 0.0022 2062 THR 81 N -0.0061 0.0098 0.0027 2063 THR 81 CA -0.0099 0.0109 0.0022 2064 THR 81 C -0.0110 0.0154 0.0026 2065 THR 81 O -0.0113 0.0166 0.0028 2066 THR 81 CB -0.0133 0.0081 0.0012 2067 THR 81 OG1 -0.0123 0.0039 0.0008 2068 THR 81 CG2 -0.0173 0.0092 0.0007 2069 VAL 82 N -0.0115 0.0178 0.0029 2070 VAL 82 CA -0.0132 0.0220 0.0032 2071 VAL 82 C -0.0176 0.0219 0.0025 2072 VAL 82 O -0.0185 0.0207 0.0021 2073 VAL 82 CB -0.0107 0.0249 0.0041 2074 VAL 82 CG1 -0.0127 0.0292 0.0043 2075 VAL 82 CG2 -0.0063 0.0251 0.0048 2076 GLU 83 N -0.0204 0.0232 0.0022 2077 GLU 83 CA -0.0248 0.0235 0.0015 2078 GLU 83 C -0.0266 0.0194 0.0006 2079 GLU 83 O -0.0281 0.0187 0.0002 2080 GLU 83 CB -0.0259 0.0269 0.0018 2081 GLU 83 CG -0.0249 0.0312 0.0026 2082 GLU 83 CD -0.0261 0.0344 0.0028 2083 GLU 83 OE1 -0.0275 0.0333 0.0024 2084 GLU 83 OE2 -0.0257 0.0381 0.0034 2085 GLY 84 N -0.0263 0.0165 0.0002 2086 GLY 84 CA -0.0282 0.0125 -0.0007 2087 GLY 84 C -0.0274 0.0098 -0.0009 2088 GLY 84 O -0.0252 0.0110 -0.0004 2089 ALA 85 N -0.0192 0.0130 -0.0024 2090 ALA 85 CA -0.0188 0.0114 -0.0022 2091 ALA 85 C -0.0174 0.0091 -0.0019 2092 ALA 85 O -0.0180 0.0080 -0.0019 2093 ALA 85 CB -0.0212 0.0106 -0.0027 2094 GLY 86 N -0.0156 0.0083 -0.0015 2095 GLY 86 CA -0.0142 0.0062 -0.0012 2096 GLY 86 C -0.0139 0.0043 -0.0010 2097 GLY 86 O -0.0127 0.0048 -0.0008 2098 SER 87 N -0.0150 0.0021 -0.0012 2099 SER 87 CA -0.0148 0.0001 -0.0010 2100 SER 87 C -0.0133 -0.0019 -0.0007 2101 SER 87 O -0.0141 -0.0033 -0.0008 2102 SER 87 CB -0.0173 -0.0009 -0.0015 2103 SER 87 OG -0.0187 0.0008 -0.0018 2104 ILE 88 N -0.0110 -0.0022 -0.0002 2105 ILE 88 CA -0.0093 -0.0038 0.0001 2106 ILE 88 C -0.0098 -0.0065 0.0001 2107 ILE 88 O -0.0103 -0.0078 0.0001 2108 ILE 88 CB -0.0066 -0.0031 0.0006 2109 ILE 88 CG1 -0.0060 -0.0005 0.0006 2110 ILE 88 CG2 -0.0048 -0.0050 0.0010 2111 ILE 88 CD1 -0.0037 0.0006 0.0010 2112 ALA 89 N -0.0091 0.0001 -0.0004 2113 ALA 89 CA -0.0089 0.0011 -0.0006 2114 ALA 89 C -0.0081 0.0014 -0.0010 2115 ALA 89 O -0.0081 0.0019 -0.0010 2116 ALA 89 CB -0.0097 0.0018 -0.0004 2117 ALA 90 N -0.0073 0.0010 -0.0012 2118 ALA 90 CA -0.0064 0.0012 -0.0016 2119 ALA 90 C -0.0059 0.0019 -0.0019 2120 ALA 90 O -0.0061 0.0020 -0.0018 2121 ALA 90 CB -0.0059 0.0003 -0.0017 2122 ALA 91 N -0.0054 0.0025 -0.0022 2123 ALA 91 CA -0.0049 0.0032 -0.0025 2124 ALA 91 C -0.0040 0.0034 -0.0028 2125 ALA 91 O -0.0041 0.0037 -0.0029 2126 ALA 91 CB -0.0055 0.0041 -0.0023 2127 THR 92 N -0.0033 0.0032 -0.0031 2128 THR 92 CA -0.0024 0.0034 -0.0035 2129 THR 92 C -0.0019 0.0041 -0.0038 2130 THR 92 O -0.0020 0.0041 -0.0037 2131 THR 92 CB -0.0018 0.0024 -0.0036 2132 THR 92 OG1 -0.0016 0.0021 -0.0037 2133 THR 92 CG2 -0.0023 0.0016 -0.0033 2134 GLY 93 N -0.0003 0.0058 -0.0051 2135 GLY 93 CA 0.0002 0.0059 -0.0062 2136 GLY 93 C 0.0008 0.0056 -0.0066 2137 GLY 93 O 0.0015 0.0053 -0.0072 2138 PHE 94 N 0.0006 0.0056 -0.0062 2139 PHE 94 CA 0.0011 0.0054 -0.0065 2140 PHE 94 C 0.0011 0.0051 -0.0056 2141 PHE 94 O 0.0003 0.0054 -0.0050 2142 PHE 94 CB 0.0007 0.0059 -0.0074 2143 PHE 94 CG 0.0009 0.0061 -0.0085 2144 PHE 94 CD1 0.0017 0.0058 -0.0092 2145 PHE 94 CD2 0.0003 0.0066 -0.0088 2146 PHE 94 CE1 0.0019 0.0060 -0.0102 2147 PHE 94 CE2 0.0004 0.0068 -0.0097 2148 PHE 94 CZ 0.0012 0.0065 -0.0104 2149 VAL 95 N 0.0019 0.0045 -0.0054 2150 VAL 95 CA 0.0019 0.0042 -0.0046 2151 VAL 95 C 0.0025 0.0040 -0.0052 2152 VAL 95 O 0.0033 0.0036 -0.0056 2153 VAL 95 CB 0.0023 0.0037 -0.0036 2154 VAL 95 CG1 0.0025 0.0033 -0.0029 2155 VAL 95 CG2 0.0017 0.0039 -0.0030 2156 LYS 96 N 0.0021 0.0043 -0.0052 2157 LYS 96 CA 0.0026 0.0041 -0.0057 2158 LYS 96 C 0.0027 0.0038 -0.0049 2159 LYS 96 O 0.0023 0.0038 -0.0040 2160 LYS 96 CB 0.0022 0.0047 -0.0066 2161 LYS 96 CG 0.0022 0.0049 -0.0076 2162 LYS 96 CD 0.0032 0.0045 -0.0082 2163 LYS 96 CE 0.0032 0.0047 -0.0091 2164 LYS 96 NZ 0.0027 0.0054 -0.0100 2165 LYS 97 N 0.0035 0.0073 -0.0027 2166 LYS 97 CA 0.0036 0.0074 -0.0019 2167 LYS 97 C 0.0036 0.0073 -0.0007 2168 LYS 97 O 0.0038 0.0078 -0.0005 2169 LYS 97 CB 0.0039 0.0084 -0.0021 2170 LYS 97 CG 0.0040 0.0084 -0.0013 2171 LYS 97 CD 0.0037 0.0076 -0.0016 2172 LYS 97 CE 0.0037 0.0076 -0.0008 2173 LYS 97 NZ 0.0041 0.0087 -0.0010 2174 ASP 98 N 0.0035 0.0068 0.0001 2175 ASP 98 CA 0.0035 0.0067 0.0014 2176 ASP 98 C 0.0036 0.0069 0.0021 2177 ASP 98 O 0.0036 0.0070 0.0016 2178 ASP 98 CB 0.0032 0.0057 0.0017 2179 ASP 98 CG 0.0032 0.0057 0.0028 2180 ASP 98 OD1 0.0036 0.0066 0.0034 2181 ASP 98 OD2 0.0030 0.0049 0.0031 2182 GLN 99 N 0.0037 0.0068 0.0032 2183 GLN 99 CA 0.0037 0.0069 0.0040 2184 GLN 99 C 0.0034 0.0059 0.0039 2185 GLN 99 O 0.0034 0.0060 0.0038 2186 GLN 99 CB 0.0039 0.0070 0.0053 2187 GLN 99 CG 0.0040 0.0071 0.0062 2188 GLN 99 CD 0.0041 0.0072 0.0074 2189 GLN 99 OE1 0.0041 0.0072 0.0077 2190 GLN 99 NE2 0.0042 0.0074 0.0082 2191 VAL 37 N 0.0076 0.0283 0.0046 2192 VAL 37 CA 0.0102 0.0252 0.0044 2193 VAL 37 C 0.0026 0.0233 0.0026 2194 VAL 37 O 0.0024 0.0231 0.0025 2195 VAL 37 CB 0.0157 0.0310 0.0067 2196 VAL 37 CG1 0.0239 0.0305 0.0081 2197 VAL 37 CG2 0.0123 0.0395 0.0078 2198 LEU 38 N -0.0037 0.0217 0.0011 2199 LEU 38 CA -0.0115 0.0199 -0.0007 2200 LEU 38 C -0.0111 0.0118 -0.0024 2201 LEU 38 O -0.0138 0.0111 -0.0030 2202 LEU 38 CB -0.0180 0.0203 -0.0019 2203 LEU 38 CG -0.0228 0.0280 -0.0012 2204 LEU 38 CD1 -0.0284 0.0308 -0.0017 2205 LEU 38 CD2 -0.0174 0.0348 0.0012 2206 TYR 39 N -0.0079 0.0057 -0.0031 2207 TYR 39 CA -0.0066 -0.0025 -0.0045 2208 TYR 39 C -0.0145 -0.0061 -0.0068 2209 TYR 39 O -0.0156 -0.0079 -0.0074 2210 TYR 39 CB -0.0003 -0.0030 -0.0034 2211 TYR 39 CG 0.0082 -0.0015 -0.0015 2212 TYR 39 CD1 0.0129 -0.0075 -0.0019 2213 TYR 39 CD2 0.0115 0.0058 0.0006 2214 TYR 39 CE1 0.0206 -0.0062 -0.0002 2215 TYR 39 CE2 0.0193 0.0072 0.0024 2216 TYR 39 CZ 0.0238 0.0011 0.0020 2217 TYR 39 OH 0.0315 0.0025 0.0037 2218 VAL 40 N -0.0199 -0.0070 -0.0080 2219 VAL 40 CA -0.0275 -0.0106 -0.0102 2220 VAL 40 C -0.0263 -0.0196 -0.0118 2221 VAL 40 O -0.0298 -0.0231 -0.0132 2222 VAL 40 CB -0.0337 -0.0086 -0.0109 2223 VAL 40 CG1 -0.0416 -0.0124 -0.0132 2224 VAL 40 CG2 -0.0349 0.0004 -0.0093 2225 GLY 41 N -0.0024 -0.0299 -0.0108 2226 GLY 41 CA -0.0026 -0.0290 -0.0105 2227 GLY 41 C -0.0034 -0.0287 -0.0114 2228 GLY 41 O -0.0039 -0.0277 -0.0115 2229 SER 42 N -0.0035 -0.0296 -0.0122 2230 SER 42 CA -0.0043 -0.0295 -0.0132 2231 SER 42 C -0.0047 -0.0287 -0.0132 2232 SER 42 O -0.0054 -0.0279 -0.0137 2233 SER 42 CB -0.0043 -0.0307 -0.0140 2234 SER 42 OG -0.0051 -0.0305 -0.0150 2235 LYS 43 N -0.0041 -0.0288 -0.0125 2236 LYS 43 CA -0.0043 -0.0279 -0.0122 2237 LYS 43 C -0.0035 -0.0281 -0.0112 2238 LYS 43 O -0.0030 -0.0290 -0.0111 2239 LYS 43 CB -0.0048 -0.0281 -0.0130 2240 LYS 43 CG -0.0051 -0.0271 -0.0128 2241 LYS 43 CD -0.0057 -0.0272 -0.0136 2242 LYS 43 CE -0.0060 -0.0261 -0.0134 2243 LYS 43 NZ -0.0054 -0.0260 -0.0124 2244 THR 44 N -0.0033 -0.0272 -0.0103 2245 THR 44 CA -0.0026 -0.0271 -0.0093 2246 THR 44 C -0.0029 -0.0261 -0.0091 2247 THR 44 O -0.0036 -0.0252 -0.0094 2248 THR 44 CB -0.0020 -0.0271 -0.0084 2249 THR 44 OG1 -0.0024 -0.0260 -0.0082 2250 THR 44 CG2 -0.0017 -0.0281 -0.0087 2251 LYS 45 N 0.0051 -0.0101 -0.0071 2252 LYS 45 CA 0.0044 -0.0083 -0.0052 2253 LYS 45 C 0.0070 -0.0069 -0.0046 2254 LYS 45 O 0.0082 -0.0061 -0.0042 2255 LYS 45 CB 0.0028 -0.0075 -0.0040 2256 LYS 45 CG 0.0018 -0.0057 -0.0021 2257 LYS 45 CD -0.0001 -0.0051 -0.0011 2258 LYS 45 CE -0.0012 -0.0034 0.0009 2259 LYS 45 NZ -0.0031 -0.0029 0.0019 2260 GLU 46 N 0.0077 -0.0067 -0.0047 2261 GLU 46 CA 0.0104 -0.0059 -0.0046 2262 GLU 46 C 0.0105 -0.0046 -0.0034 2263 GLU 46 O 0.0096 -0.0053 -0.0038 2264 GLU 46 CB 0.0120 -0.0075 -0.0065 2265 GLU 46 CG 0.0109 -0.0092 -0.0078 2266 GLU 46 CD 0.0124 -0.0108 -0.0098 2267 GLU 46 OE1 0.0142 -0.0106 -0.0101 2268 GLU 46 OE2 0.0119 -0.0123 -0.0110 2269 GLY 47 N 0.0116 -0.0028 -0.0020 2270 GLY 47 CA 0.0117 -0.0014 -0.0007 2271 GLY 47 C 0.0093 -0.0005 0.0008 2272 GLY 47 O 0.0083 -0.0002 0.0013 2273 VAL 48 N 0.0083 0.0000 0.0015 2274 VAL 48 CA 0.0058 0.0005 0.0027 2275 VAL 48 C 0.0061 0.0026 0.0046 2276 VAL 48 O 0.0075 0.0031 0.0047 2277 VAL 48 CB 0.0040 -0.0009 0.0018 2278 VAL 48 CG1 0.0014 -0.0004 0.0030 2279 VAL 48 CG2 0.0037 -0.0030 -0.0000 2280 VAL 49 N 0.0027 0.0005 0.0058 2281 VAL 49 CA 0.0026 0.0005 0.0054 2282 VAL 49 C 0.0030 0.0004 0.0055 2283 VAL 49 O 0.0034 0.0002 0.0055 2284 VAL 49 CB 0.0026 0.0003 0.0048 2285 VAL 49 CG1 0.0025 0.0003 0.0045 2286 VAL 49 CG2 0.0021 0.0005 0.0047 2287 HIS 50 N 0.0029 0.0004 0.0056 2288 HIS 50 CA 0.0033 0.0003 0.0057 2289 HIS 50 C 0.0031 0.0003 0.0055 2290 HIS 50 O 0.0027 0.0005 0.0056 2291 HIS 50 CB 0.0035 0.0004 0.0063 2292 HIS 50 CG 0.0032 0.0006 0.0067 2293 HIS 50 ND1 0.0031 0.0007 0.0068 2294 HIS 50 CD2 0.0029 0.0008 0.0070 2295 HIS 50 CE1 0.0028 0.0009 0.0072 2296 HIS 50 NE2 0.0027 0.0010 0.0073 2297 GLY 51 N 0.0034 0.0001 0.0053 2298 GLY 51 CA 0.0033 0.0001 0.0051 2299 GLY 51 C 0.0029 0.0001 0.0046 2300 GLY 51 O 0.0025 0.0003 0.0045 2301 VAL 52 N 0.0031 -0.0001 0.0041 2302 VAL 52 CA 0.0028 -0.0001 0.0036 2303 VAL 52 C 0.0031 -0.0003 0.0032 2304 VAL 52 O 0.0035 -0.0005 0.0032 2305 VAL 52 CB 0.0027 -0.0001 0.0035 2306 VAL 52 CG1 0.0025 -0.0002 0.0029 2307 VAL 52 CG2 0.0024 0.0001 0.0038 2308 ALA 53 N 0.0021 -0.0024 0.0021 2309 ALA 53 CA 0.0024 -0.0022 0.0010 2310 ALA 53 C 0.0020 -0.0023 0.0003 2311 ALA 53 O 0.0010 -0.0024 0.0005 2312 ALA 53 CB 0.0021 -0.0023 0.0005 2313 THR 54 N 0.0026 -0.0021 -0.0005 2314 THR 54 CA 0.0023 -0.0021 -0.0011 2315 THR 54 C 0.0028 -0.0019 -0.0022 2316 THR 54 O 0.0038 -0.0018 -0.0023 2317 THR 54 CB 0.0027 -0.0021 -0.0005 2318 THR 54 OG1 0.0022 -0.0023 0.0006 2319 THR 54 CG2 0.0024 -0.0021 -0.0011 2320 VAL 55 N 0.0021 -0.0020 -0.0031 2321 VAL 55 CA 0.0024 -0.0018 -0.0042 2322 VAL 55 C 0.0020 -0.0019 -0.0047 2323 VAL 55 O 0.0010 -0.0020 -0.0046 2324 VAL 55 CB 0.0020 -0.0019 -0.0049 2325 VAL 55 CG1 0.0023 -0.0017 -0.0061 2326 VAL 55 CG2 0.0025 -0.0018 -0.0044 2327 ALA 56 N 0.0027 -0.0017 -0.0052 2328 ALA 56 CA 0.0025 -0.0017 -0.0057 2329 ALA 56 C 0.0029 -0.0015 -0.0069 2330 ALA 56 O 0.0039 -0.0014 -0.0071 2331 ALA 56 CB 0.0029 -0.0017 -0.0051 2332 GLU 57 N 0.0036 -0.0025 -0.0070 2333 GLU 57 CA 0.0036 -0.0027 -0.0070 2334 GLU 57 C 0.0033 -0.0031 -0.0065 2335 GLU 57 O 0.0033 -0.0037 -0.0064 2336 GLU 57 CB 0.0040 -0.0031 -0.0075 2337 GLU 57 CG 0.0043 -0.0027 -0.0081 2338 GLU 57 CD 0.0046 -0.0031 -0.0085 2339 GLU 57 OE1 0.0046 -0.0037 -0.0085 2340 GLU 57 OE2 0.0049 -0.0028 -0.0090 2341 LYS 58 N 0.0030 -0.0029 -0.0061 2342 LYS 58 CA 0.0027 -0.0032 -0.0055 2343 LYS 58 C 0.0026 -0.0032 -0.0053 2344 LYS 58 O 0.0025 -0.0027 -0.0052 2345 LYS 58 CB 0.0024 -0.0028 -0.0051 2346 LYS 58 CG 0.0024 -0.0028 -0.0052 2347 LYS 58 CD 0.0021 -0.0024 -0.0047 2348 LYS 58 CE 0.0022 -0.0025 -0.0048 2349 LYS 58 NZ 0.0019 -0.0021 -0.0044 2350 THR 59 N 0.0027 -0.0038 -0.0053 2351 THR 59 CA 0.0026 -0.0039 -0.0052 2352 THR 59 C 0.0022 -0.0038 -0.0046 2353 THR 59 O 0.0021 -0.0035 -0.0045 2354 THR 59 CB 0.0028 -0.0046 -0.0053 2355 THR 59 OG1 0.0031 -0.0047 -0.0059 2356 THR 59 CG2 0.0027 -0.0047 -0.0053 2357 LYS 60 N 0.0020 -0.0039 -0.0042 2358 LYS 60 CA 0.0016 -0.0038 -0.0036 2359 LYS 60 C 0.0014 -0.0037 -0.0033 2360 LYS 60 O 0.0014 -0.0041 -0.0033 2361 LYS 60 CB 0.0014 -0.0043 -0.0033 2362 LYS 60 CG 0.0010 -0.0042 -0.0027 2363 LYS 60 CD 0.0009 -0.0047 -0.0024 2364 LYS 60 CE 0.0005 -0.0045 -0.0019 2365 LYS 60 NZ 0.0004 -0.0050 -0.0016 2366 GLU 61 N 0.0004 -0.0012 -0.0016 2367 GLU 61 CA 0.0002 -0.0011 -0.0013 2368 GLU 61 C -0.0001 -0.0008 -0.0007 2369 GLU 61 O -0.0002 -0.0003 -0.0006 2370 GLU 61 CB 0.0003 -0.0007 -0.0016 2371 GLU 61 CG 0.0002 -0.0006 -0.0013 2372 GLU 61 CD 0.0003 -0.0002 -0.0017 2373 GLU 61 OE1 0.0005 0.0001 -0.0022 2374 GLU 61 OE2 0.0002 -0.0001 -0.0015 2375 GLN 62 N -0.0002 -0.0012 -0.0002 2376 GLN 62 CA -0.0005 -0.0010 0.0004 2377 GLN 62 C -0.0006 -0.0011 0.0008 2378 GLN 62 O -0.0006 -0.0016 0.0009 2379 GLN 62 CB -0.0005 -0.0014 0.0007 2380 GLN 62 CG -0.0008 -0.0013 0.0013 2381 GLN 62 CD -0.0009 -0.0017 0.0016 2382 GLN 62 OE1 -0.0007 -0.0021 0.0013 2383 GLN 62 NE2 -0.0011 -0.0016 0.0021 2384 VAL 63 N -0.0008 -0.0005 0.0010 2385 VAL 63 CA -0.0010 -0.0005 0.0014 2386 VAL 63 C -0.0013 -0.0002 0.0019 2387 VAL 63 O -0.0014 0.0004 0.0020 2388 VAL 63 CB -0.0009 -0.0001 0.0011 2389 VAL 63 CG1 -0.0011 -0.0001 0.0015 2390 VAL 63 CG2 -0.0006 -0.0004 0.0005 2391 THR 64 N -0.0014 -0.0006 0.0024 2392 THR 64 CA -0.0017 -0.0004 0.0030 2393 THR 64 C -0.0018 -0.0006 0.0035 2394 THR 64 O -0.0018 -0.0012 0.0037 2395 THR 64 CB -0.0017 -0.0006 0.0032 2396 THR 64 OG1 -0.0017 -0.0013 0.0033 2397 THR 64 CG2 -0.0015 -0.0005 0.0027 2398 ASN 65 N -0.0012 0.0038 0.0031 2399 ASN 65 CA -0.0008 0.0042 0.0021 2400 ASN 65 C -0.0014 0.0038 0.0016 2401 ASN 65 O -0.0021 0.0032 0.0017 2402 ASN 65 CB -0.0005 0.0046 0.0013 2403 ASN 65 CG -0.0012 0.0041 0.0006 2404 ASN 65 OD1 -0.0019 0.0036 0.0003 2405 ASN 65 ND2 -0.0010 0.0044 0.0002 2406 VAL 66 N -0.0010 0.0042 0.0010 2407 VAL 66 CA -0.0016 0.0039 0.0002 2408 VAL 66 C -0.0013 0.0043 -0.0009 2409 VAL 66 O -0.0005 0.0049 -0.0011 2410 VAL 66 CB -0.0016 0.0038 0.0006 2411 VAL 66 CG1 -0.0016 0.0036 0.0018 2412 VAL 66 CG2 -0.0008 0.0045 0.0002 2413 GLY 67 N -0.0019 0.0039 -0.0017 2414 GLY 67 CA -0.0018 0.0042 -0.0029 2415 GLY 67 C -0.0014 0.0045 -0.0032 2416 GLY 67 O -0.0012 0.0048 -0.0042 2417 GLY 68 N -0.0011 0.0046 -0.0025 2418 GLY 68 CA -0.0006 0.0051 -0.0027 2419 GLY 68 C -0.0010 0.0047 -0.0024 2420 GLY 68 O -0.0017 0.0041 -0.0019 2421 ALA 69 N -0.0036 0.0027 -0.0020 2422 ALA 69 CA -0.0036 0.0026 -0.0018 2423 ALA 69 C -0.0037 0.0027 -0.0016 2424 ALA 69 O -0.0037 0.0028 -0.0016 2425 ALA 69 CB -0.0036 0.0025 -0.0018 2426 VAL 70 N -0.0037 0.0027 -0.0015 2427 VAL 70 CA -0.0037 0.0028 -0.0013 2428 VAL 70 C -0.0037 0.0026 -0.0012 2429 VAL 70 O -0.0037 0.0025 -0.0011 2430 VAL 70 CB -0.0037 0.0028 -0.0013 2431 VAL 70 CG1 -0.0038 0.0029 -0.0011 2432 VAL 70 CG2 -0.0037 0.0029 -0.0015 2433 VAL 71 N -0.0038 0.0027 -0.0010 2434 VAL 71 CA -0.0038 0.0026 -0.0009 2435 VAL 71 C -0.0038 0.0028 -0.0007 2436 VAL 71 O -0.0039 0.0029 -0.0007 2437 VAL 71 CB -0.0038 0.0027 -0.0008 2438 VAL 71 CG1 -0.0038 0.0026 -0.0006 2439 VAL 71 CG2 -0.0037 0.0025 -0.0010 2440 THR 72 N -0.0038 0.0027 -0.0006 2441 THR 72 CA -0.0039 0.0027 -0.0004 2442 THR 72 C -0.0039 0.0027 -0.0002 2443 THR 72 O -0.0039 0.0025 -0.0002 2444 THR 72 CB -0.0039 0.0027 -0.0005 2445 THR 72 OG1 -0.0038 0.0025 -0.0005 2446 THR 72 CG2 -0.0038 0.0028 -0.0006 2447 GLY 73 N -0.0035 -0.0007 -0.0013 2448 GLY 73 CA -0.0030 -0.0007 -0.0007 2449 GLY 73 C -0.0024 -0.0007 0.0000 2450 GLY 73 O -0.0017 -0.0012 0.0001 2451 VAL 74 N -0.0027 -0.0002 0.0005 2452 VAL 74 CA -0.0021 -0.0002 0.0012 2453 VAL 74 C -0.0020 0.0001 0.0019 2454 VAL 74 O -0.0025 0.0005 0.0019 2455 VAL 74 CB -0.0024 0.0001 0.0013 2456 VAL 74 CG1 -0.0027 -0.0002 0.0006 2457 VAL 74 CG2 -0.0030 0.0008 0.0018 2458 THR 75 N -0.0014 0.0000 0.0025 2459 THR 75 CA -0.0012 0.0003 0.0032 2460 THR 75 C -0.0007 0.0004 0.0039 2461 THR 75 O -0.0002 -0.0000 0.0039 2462 THR 75 CB -0.0008 -0.0002 0.0030 2463 THR 75 OG1 -0.0012 -0.0003 0.0023 2464 THR 75 CG2 -0.0006 0.0001 0.0037 2465 ALA 76 N -0.0009 0.0009 0.0046 2466 ALA 76 CA -0.0005 0.0011 0.0054 2467 ALA 76 C -0.0004 0.0011 0.0055 2468 ALA 76 O 0.0002 0.0008 0.0058 2469 ALA 76 CB 0.0003 0.0007 0.0057 2470 VAL 77 N 0.0023 -0.0017 0.0054 2471 VAL 77 CA 0.0015 -0.0013 0.0050 2472 VAL 77 C 0.0018 -0.0006 0.0044 2473 VAL 77 O 0.0024 -0.0006 0.0043 2474 VAL 77 CB 0.0010 -0.0017 0.0054 2475 VAL 77 CG1 0.0001 -0.0013 0.0051 2476 VAL 77 CG2 0.0007 -0.0023 0.0061 2477 ALA 78 N 0.0013 -0.0001 0.0039 2478 ALA 78 CA 0.0016 0.0006 0.0032 2479 ALA 78 C 0.0008 0.0011 0.0028 2480 ALA 78 O 0.0005 0.0013 0.0026 2481 ALA 78 CB 0.0024 0.0008 0.0029 2482 GLN 79 N 0.0005 0.0013 0.0026 2483 GLN 79 CA -0.0003 0.0018 0.0021 2484 GLN 79 C 0.0001 0.0024 0.0015 2485 GLN 79 O 0.0008 0.0025 0.0014 2486 GLN 79 CB -0.0011 0.0015 0.0024 2487 GLN 79 CG -0.0008 0.0015 0.0025 2488 GLN 79 CD -0.0017 0.0012 0.0028 2489 GLN 79 OE1 -0.0024 0.0011 0.0029 2490 GLN 79 NE2 -0.0015 0.0011 0.0028 2491 LYS 80 N -0.0005 0.0030 0.0010 2492 LYS 80 CA -0.0004 0.0036 0.0004 2493 LYS 80 C -0.0013 0.0038 0.0002 2494 LYS 80 O -0.0021 0.0036 0.0004 2495 LYS 80 CB -0.0000 0.0041 -0.0002 2496 LYS 80 CG 0.0002 0.0048 -0.0008 2497 LYS 80 CD 0.0006 0.0053 -0.0014 2498 LYS 80 CE 0.0008 0.0059 -0.0020 2499 LYS 80 NZ 0.0010 0.0065 -0.0026 2500 THR 81 N -0.0075 0.0120 0.0023 2501 THR 81 CA -0.0117 0.0134 0.0021 2502 THR 81 C -0.0126 0.0180 0.0024 2503 THR 81 O -0.0127 0.0190 0.0025 2504 THR 81 CB -0.0153 0.0103 0.0016 2505 THR 81 OG1 -0.0143 0.0060 0.0013 2506 THR 81 CG2 -0.0195 0.0117 0.0014 2507 VAL 82 N -0.0133 0.0209 0.0026 2508 VAL 82 CA -0.0149 0.0253 0.0028 2509 VAL 82 C -0.0198 0.0254 0.0024 2510 VAL 82 O -0.0209 0.0245 0.0023 2511 VAL 82 CB -0.0124 0.0287 0.0032 2512 VAL 82 CG1 -0.0145 0.0332 0.0034 2513 VAL 82 CG2 -0.0077 0.0288 0.0036 2514 GLU 83 N -0.0225 0.0265 0.0023 2515 GLU 83 CA -0.0273 0.0269 0.0020 2516 GLU 83 C -0.0293 0.0226 0.0015 2517 GLU 83 O -0.0312 0.0223 0.0013 2518 GLU 83 CB -0.0285 0.0307 0.0022 2519 GLU 83 CG -0.0272 0.0351 0.0026 2520 GLU 83 CD -0.0287 0.0389 0.0028 2521 GLU 83 OE1 -0.0304 0.0380 0.0026 2522 GLU 83 OE2 -0.0281 0.0427 0.0032 2523 GLY 84 N -0.0289 0.0193 0.0013 2524 GLY 84 CA -0.0311 0.0152 0.0008 2525 GLY 84 C -0.0300 0.0120 0.0006 2526 GLY 84 O -0.0275 0.0129 0.0009 2527 ALA 85 N -0.0215 0.0181 -0.0015 2528 ALA 85 CA -0.0210 0.0159 -0.0013 2529 ALA 85 C -0.0195 0.0136 -0.0011 2530 ALA 85 O -0.0203 0.0128 -0.0011 2531 ALA 85 CB -0.0236 0.0149 -0.0013 2532 GLY 86 N -0.0175 0.0125 -0.0010 2533 GLY 86 CA -0.0161 0.0103 -0.0008 2534 GLY 86 C -0.0157 0.0078 -0.0006 2535 GLY 86 O -0.0142 0.0080 -0.0006 2536 SER 87 N -0.0169 0.0056 -0.0004 2537 SER 87 CA -0.0167 0.0031 -0.0002 2538 SER 87 C -0.0151 0.0012 -0.0000 2539 SER 87 O -0.0161 0.0001 0.0001 2540 SER 87 CB -0.0194 0.0019 -0.0001 2541 SER 87 OG -0.0208 0.0036 -0.0003 2542 ILE 88 N -0.0126 0.0007 0.0000 2543 ILE 88 CA -0.0107 -0.0008 0.0001 2544 ILE 88 C -0.0114 -0.0037 0.0004 2545 ILE 88 O -0.0121 -0.0048 0.0005 2546 ILE 88 CB -0.0078 -0.0002 0.0001 2547 ILE 88 CG1 -0.0071 0.0027 -0.0001 2548 ILE 88 CG2 -0.0059 -0.0021 0.0003 2549 ILE 88 CD1 -0.0044 0.0036 -0.0002 2550 ALA 89 N -0.0114 0.0028 0.0011 2551 ALA 89 CA -0.0112 0.0037 0.0008 2552 ALA 89 C -0.0103 0.0041 0.0002 2553 ALA 89 O -0.0104 0.0049 0.0001 2554 ALA 89 CB -0.0120 0.0046 0.0012 2555 ALA 90 N -0.0095 0.0036 -0.0002 2556 ALA 90 CA -0.0087 0.0039 -0.0008 2557 ALA 90 C -0.0081 0.0045 -0.0013 2558 ALA 90 O -0.0082 0.0044 -0.0012 2559 ALA 90 CB -0.0081 0.0029 -0.0010 2560 ALA 91 N -0.0076 0.0052 -0.0017 2561 ALA 91 CA -0.0071 0.0059 -0.0022 2562 ALA 91 C -0.0062 0.0062 -0.0028 2563 ALA 91 O -0.0063 0.0066 -0.0028 2564 ALA 91 CB -0.0077 0.0069 -0.0020 2565 THR 92 N -0.0054 0.0059 -0.0032 2566 THR 92 CA -0.0045 0.0061 -0.0038 2567 THR 92 C -0.0040 0.0067 -0.0043 2568 THR 92 O -0.0040 0.0066 -0.0042 2569 THR 92 CB -0.0039 0.0050 -0.0040 2570 THR 92 OG1 -0.0036 0.0045 -0.0041 2571 THR 92 CG2 -0.0044 0.0043 -0.0036 2572 GLY 93 N -0.0045 0.0091 -0.0056 2573 GLY 93 CA -0.0040 0.0092 -0.0070 2574 GLY 93 C -0.0031 0.0088 -0.0075 2575 GLY 93 O -0.0022 0.0085 -0.0083 2576 PHE 94 N -0.0034 0.0088 -0.0069 2577 PHE 94 CA -0.0027 0.0085 -0.0073 2578 PHE 94 C -0.0028 0.0082 -0.0061 2579 PHE 94 O -0.0038 0.0086 -0.0053 2580 PHE 94 CB -0.0032 0.0092 -0.0085 2581 PHE 94 CG -0.0030 0.0095 -0.0099 2582 PHE 94 CD1 -0.0020 0.0091 -0.0108 2583 PHE 94 CD2 -0.0039 0.0102 -0.0102 2584 PHE 94 CE1 -0.0018 0.0093 -0.0120 2585 PHE 94 CE2 -0.0037 0.0104 -0.0115 2586 PHE 94 CZ -0.0026 0.0100 -0.0124 2587 VAL 95 N -0.0018 0.0074 -0.0059 2588 VAL 95 CA -0.0017 0.0071 -0.0048 2589 VAL 95 C -0.0009 0.0068 -0.0055 2590 VAL 95 O 0.0001 0.0062 -0.0061 2591 VAL 95 CB -0.0012 0.0063 -0.0036 2592 VAL 95 CG1 -0.0010 0.0059 -0.0026 2593 VAL 95 CG2 -0.0021 0.0066 -0.0028 2594 LYS 96 N -0.0014 0.0071 -0.0055 2595 LYS 96 CA -0.0008 0.0069 -0.0062 2596 LYS 96 C -0.0008 0.0065 -0.0051 2597 LYS 96 O -0.0013 0.0065 -0.0039 2598 LYS 96 CB -0.0014 0.0076 -0.0074 2599 LYS 96 CG -0.0013 0.0080 -0.0086 2600 LYS 96 CD -0.0001 0.0074 -0.0094 2601 LYS 96 CE -0.0000 0.0077 -0.0106 2602 LYS 96 NZ -0.0007 0.0085 -0.0117 2603 LYS 97 N 0.0008 0.0057 -0.0034 2604 LYS 97 CA 0.0012 0.0048 -0.0025 2605 LYS 97 C 0.0023 0.0048 -0.0010 2606 LYS 97 O 0.0028 0.0060 -0.0006 2607 LYS 97 CB 0.0012 0.0056 -0.0028 2608 LYS 97 CG 0.0015 0.0047 -0.0020 2609 LYS 97 CD 0.0007 0.0030 -0.0025 2610 LYS 97 CE 0.0010 0.0021 -0.0016 2611 LYS 97 NZ 0.0011 0.0031 -0.0019 2612 ASP 98 N 0.0025 0.0034 -0.0001 2613 ASP 98 CA 0.0035 0.0033 0.0015 2614 ASP 98 C 0.0038 0.0024 0.0022 2615 ASP 98 O 0.0032 0.0021 0.0015 2616 ASP 98 CB 0.0036 0.0023 0.0019 2617 ASP 98 CG 0.0047 0.0026 0.0033 2618 ASP 98 OD1 0.0054 0.0035 0.0040 2619 ASP 98 OD2 0.0048 0.0019 0.0038 2620 GLN 99 N 0.0047 0.0021 0.0036 2621 GLN 99 CA 0.0051 0.0013 0.0044 2622 GLN 99 C 0.0044 -0.0005 0.0042 2623 GLN 99 O 0.0040 -0.0010 0.0039 2624 GLN 99 CB 0.0062 0.0014 0.0060 2625 GLN 99 CG 0.0067 0.0006 0.0069 2626 GLN 99 CD 0.0078 0.0007 0.0084 2627 GLN 99 OE1 0.0082 0.0013 0.0088 2628 GLN 99 NE2 0.0082 0.0002 0.0093 2629 VAL 37 N 0.0110 0.0333 -0.0043 2630 VAL 37 CA 0.0145 0.0291 -0.0041 2631 VAL 37 C 0.0058 0.0265 -0.0025 2632 VAL 37 O 0.0060 0.0257 -0.0024 2633 VAL 37 CB 0.0211 0.0358 -0.0060 2634 VAL 37 CG1 0.0306 0.0357 -0.0072 2635 VAL 37 CG2 0.0171 0.0457 -0.0072 2636 LEU 38 N -0.0019 0.0248 -0.0013 2637 LEU 38 CA -0.0108 0.0222 0.0003 2638 LEU 38 C -0.0102 0.0124 0.0019 2639 LEU 38 O -0.0130 0.0111 0.0025 2640 LEU 38 CB -0.0188 0.0230 0.0012 2641 LEU 38 CG -0.0245 0.0321 0.0004 2642 LEU 38 CD1 -0.0307 0.0347 0.0008 2643 LEU 38 CD2 -0.0183 0.0403 -0.0017 2644 TYR 39 N -0.0065 0.0056 0.0025 2645 TYR 39 CA -0.0049 -0.0042 0.0040 2646 TYR 39 C -0.0140 -0.0087 0.0059 2647 TYR 39 O -0.0150 -0.0113 0.0065 2648 TYR 39 CB 0.0028 -0.0050 0.0031 2649 TYR 39 CG 0.0126 -0.0029 0.0015 2650 TYR 39 CD1 0.0180 -0.0096 0.0020 2651 TYR 39 CD2 0.0167 0.0057 -0.0004 2652 TYR 39 CE1 0.0270 -0.0077 0.0005 2653 TYR 39 CE2 0.0257 0.0076 -0.0019 2654 TYR 39 CZ 0.0308 0.0009 -0.0014 2655 TYR 39 OH 0.0398 0.0028 -0.0029 2656 VAL 40 N -0.0207 -0.0095 0.0069 2657 VAL 40 CA -0.0295 -0.0140 0.0088 2658 VAL 40 C -0.0281 -0.0246 0.0104 2659 VAL 40 O -0.0319 -0.0292 0.0116 2660 VAL 40 CB -0.0371 -0.0113 0.0093 2661 VAL 40 CG1 -0.0463 -0.0161 0.0113 2662 VAL 40 CG2 -0.0385 -0.0008 0.0077 2663 GLY 41 N -0.0011 -0.0354 0.0099 2664 GLY 41 CA -0.0013 -0.0344 0.0097 2665 GLY 41 C -0.0022 -0.0341 0.0111 2666 GLY 41 O -0.0026 -0.0327 0.0113 2667 SER 42 N -0.0023 -0.0353 0.0122 2668 SER 42 CA -0.0032 -0.0351 0.0136 2669 SER 42 C -0.0035 -0.0342 0.0138 2670 SER 42 O -0.0042 -0.0332 0.0147 2671 SER 42 CB -0.0032 -0.0366 0.0146 2672 SER 42 OG -0.0040 -0.0365 0.0160 2673 LYS 43 N -0.0030 -0.0346 0.0131 2674 LYS 43 CA -0.0032 -0.0336 0.0129 2675 LYS 43 C -0.0024 -0.0340 0.0116 2676 LYS 43 O -0.0020 -0.0353 0.0115 2677 LYS 43 CB -0.0038 -0.0339 0.0142 2678 LYS 43 CG -0.0041 -0.0328 0.0141 2679 LYS 43 CD -0.0047 -0.0330 0.0154 2680 LYS 43 CE -0.0050 -0.0318 0.0154 2681 LYS 43 NZ -0.0044 -0.0319 0.0142 2682 THR 44 N -0.0022 -0.0328 0.0105 2683 THR 44 CA -0.0015 -0.0330 0.0093 2684 THR 44 C -0.0018 -0.0317 0.0092 2685 THR 44 O -0.0024 -0.0305 0.0097 2686 THR 44 CB -0.0008 -0.0328 0.0079 2687 THR 44 OG1 -0.0011 -0.0313 0.0076 2688 THR 44 CG2 -0.0005 -0.0340 0.0080 2689 LYS 45 N 0.0065 -0.0131 0.0075 2690 LYS 45 CA 0.0058 -0.0109 0.0054 2691 LYS 45 C 0.0087 -0.0093 0.0047 2692 LYS 45 O 0.0100 -0.0083 0.0042 2693 LYS 45 CB 0.0039 -0.0100 0.0041 2694 LYS 45 CG 0.0026 -0.0079 0.0020 2695 LYS 45 CD 0.0004 -0.0072 0.0009 2696 LYS 45 CE -0.0009 -0.0052 -0.0012 2697 LYS 45 NZ -0.0031 -0.0045 -0.0024 2698 GLU 46 N 0.0096 -0.0090 0.0047 2699 GLU 46 CA 0.0126 -0.0080 0.0046 2700 GLU 46 C 0.0129 -0.0065 0.0033 2701 GLU 46 O 0.0120 -0.0072 0.0037 2702 GLU 46 CB 0.0146 -0.0099 0.0067 2703 GLU 46 CG 0.0135 -0.0119 0.0082 2704 GLU 46 CD 0.0152 -0.0138 0.0103 2705 GLU 46 OE1 0.0171 -0.0137 0.0106 2706 GLU 46 OE2 0.0146 -0.0155 0.0117 2707 GLY 47 N 0.0141 -0.0043 0.0017 2708 GLY 47 CA 0.0142 -0.0027 0.0003 2709 GLY 47 C 0.0115 -0.0016 -0.0013 2710 GLY 47 O 0.0104 -0.0012 -0.0019 2711 VAL 48 N 0.0103 -0.0011 -0.0021 2712 VAL 48 CA 0.0073 -0.0004 -0.0033 2713 VAL 48 C 0.0076 0.0020 -0.0054 2714 VAL 48 O 0.0092 0.0025 -0.0055 2715 VAL 48 CB 0.0053 -0.0022 -0.0023 2716 VAL 48 CG1 0.0022 -0.0015 -0.0037 2717 VAL 48 CG2 0.0051 -0.0045 -0.0003 2718 VAL 49 N 0.0038 0.0000 -0.0070 2719 VAL 49 CA 0.0037 0.0001 -0.0068 2720 VAL 49 C 0.0040 -0.0001 -0.0071 2721 VAL 49 O 0.0044 -0.0005 -0.0071 2722 VAL 49 CB 0.0036 -0.0000 -0.0061 2723 VAL 49 CG1 0.0036 -0.0000 -0.0059 2724 VAL 49 CG2 0.0033 0.0003 -0.0058 2725 HIS 50 N 0.0038 0.0001 -0.0074 2726 HIS 50 CA 0.0041 -0.0002 -0.0077 2727 HIS 50 C 0.0040 -0.0000 -0.0077 2728 HIS 50 O 0.0036 0.0004 -0.0078 2729 HIS 50 CB 0.0043 -0.0002 -0.0083 2730 HIS 50 CG 0.0040 0.0002 -0.0087 2731 HIS 50 ND1 0.0040 0.0003 -0.0091 2732 HIS 50 CD2 0.0038 0.0004 -0.0089 2733 HIS 50 CE1 0.0037 0.0006 -0.0095 2734 HIS 50 NE2 0.0036 0.0007 -0.0094 2735 GLY 51 N 0.0042 -0.0003 -0.0076 2736 GLY 51 CA 0.0041 -0.0002 -0.0076 2737 GLY 51 C 0.0038 -0.0000 -0.0070 2738 GLY 51 O 0.0035 0.0004 -0.0070 2739 VAL 52 N 0.0040 -0.0003 -0.0065 2740 VAL 52 CA 0.0038 -0.0002 -0.0059 2741 VAL 52 C 0.0040 -0.0004 -0.0057 2742 VAL 52 O 0.0044 -0.0008 -0.0056 2743 VAL 52 CB 0.0037 -0.0002 -0.0055 2744 VAL 52 CG1 0.0035 -0.0001 -0.0049 2745 VAL 52 CG2 0.0035 0.0001 -0.0057 2746 ALA 53 N 0.0028 -0.0019 -0.0041 2747 ALA 53 CA 0.0032 -0.0017 -0.0030 2748 ALA 53 C 0.0027 -0.0017 -0.0022 2749 ALA 53 O 0.0017 -0.0018 -0.0023 2750 ALA 53 CB 0.0028 -0.0017 -0.0026 2751 THR 54 N 0.0034 -0.0016 -0.0014 2752 THR 54 CA 0.0030 -0.0016 -0.0007 2753 THR 54 C 0.0035 -0.0014 0.0005 2754 THR 54 O 0.0046 -0.0013 0.0006 2755 THR 54 CB 0.0034 -0.0016 -0.0012 2756 THR 54 OG1 0.0029 -0.0017 -0.0023 2757 THR 54 CG2 0.0031 -0.0015 -0.0004 2758 VAL 55 N 0.0028 -0.0014 0.0014 2759 VAL 55 CA 0.0032 -0.0013 0.0026 2760 VAL 55 C 0.0028 -0.0013 0.0032 2761 VAL 55 O 0.0018 -0.0014 0.0031 2762 VAL 55 CB 0.0027 -0.0013 0.0032 2763 VAL 55 CG1 0.0030 -0.0011 0.0044 2764 VAL 55 CG2 0.0032 -0.0013 0.0026 2765 ALA 56 N 0.0035 -0.0012 0.0037 2766 ALA 56 CA 0.0032 -0.0011 0.0044 2767 ALA 56 C 0.0037 -0.0010 0.0056 2768 ALA 56 O 0.0047 -0.0009 0.0057 2769 ALA 56 CB 0.0037 -0.0012 0.0038 2770 GLU 57 N 0.0036 -0.0014 0.0059 2771 GLU 57 CA 0.0037 -0.0017 0.0059 2772 GLU 57 C 0.0033 -0.0021 0.0056 2773 GLU 57 O 0.0033 -0.0025 0.0055 2774 GLU 57 CB 0.0041 -0.0021 0.0063 2775 GLU 57 CG 0.0044 -0.0017 0.0066 2776 GLU 57 CD 0.0048 -0.0021 0.0070 2777 GLU 57 OE1 0.0048 -0.0026 0.0069 2778 GLU 57 OE2 0.0052 -0.0019 0.0073 2779 LYS 58 N 0.0030 -0.0020 0.0053 2780 LYS 58 CA 0.0026 -0.0023 0.0050 2781 LYS 58 C 0.0025 -0.0025 0.0049 2782 LYS 58 O 0.0025 -0.0021 0.0048 2783 LYS 58 CB 0.0023 -0.0019 0.0047 2784 LYS 58 CG 0.0023 -0.0017 0.0047 2785 LYS 58 CD 0.0019 -0.0013 0.0044 2786 LYS 58 CE 0.0019 -0.0012 0.0044 2787 LYS 58 NZ 0.0016 -0.0008 0.0041 2788 THR 59 N 0.0026 -0.0030 0.0049 2789 THR 59 CA 0.0025 -0.0032 0.0048 2790 THR 59 C 0.0021 -0.0032 0.0045 2791 THR 59 O 0.0020 -0.0031 0.0044 2792 THR 59 CB 0.0027 -0.0038 0.0050 2793 THR 59 OG1 0.0031 -0.0039 0.0053 2794 THR 59 CG2 0.0027 -0.0041 0.0050 2795 LYS 60 N 0.0018 -0.0032 0.0042 2796 LYS 60 CA 0.0014 -0.0031 0.0038 2797 LYS 60 C 0.0011 -0.0029 0.0036 2798 LYS 60 O 0.0011 -0.0032 0.0035 2799 LYS 60 CB 0.0012 -0.0037 0.0036 2800 LYS 60 CG 0.0008 -0.0036 0.0032 2801 LYS 60 CD 0.0006 -0.0041 0.0031 2802 LYS 60 CE 0.0002 -0.0041 0.0027 2803 LYS 60 NZ 0.0000 -0.0046 0.0026 2804 GLU 61 N 0.0000 -0.0011 0.0020 2805 GLU 61 CA -0.0001 -0.0010 0.0018 2806 GLU 61 C -0.0004 -0.0007 0.0012 2807 GLU 61 O -0.0005 -0.0002 0.0012 2808 GLU 61 CB -0.0000 -0.0006 0.0022 2809 GLU 61 CG -0.0001 -0.0005 0.0019 2810 GLU 61 CD -0.0000 -0.0002 0.0023 2811 GLU 61 OE1 0.0001 0.0001 0.0028 2812 GLU 61 OE2 -0.0001 -0.0001 0.0022 2813 GLN 62 N -0.0005 -0.0011 0.0008 2814 GLN 62 CA -0.0007 -0.0009 0.0002 2815 GLN 62 C -0.0009 -0.0010 -0.0001 2816 GLN 62 O -0.0008 -0.0015 -0.0002 2817 GLN 62 CB -0.0008 -0.0013 -0.0001 2818 GLN 62 CG -0.0011 -0.0012 -0.0007 2819 GLN 62 CD -0.0011 -0.0016 -0.0010 2820 GLN 62 OE1 -0.0009 -0.0020 -0.0008 2821 GLN 62 NE2 -0.0013 -0.0014 -0.0015 2822 VAL 63 N -0.0011 -0.0005 -0.0003 2823 VAL 63 CA -0.0012 -0.0005 -0.0007 2824 VAL 63 C -0.0015 -0.0002 -0.0012 2825 VAL 63 O -0.0016 0.0004 -0.0012 2826 VAL 63 CB -0.0011 -0.0001 -0.0003 2827 VAL 63 CG1 -0.0013 -0.0001 -0.0007 2828 VAL 63 CG2 -0.0009 -0.0004 0.0002 2829 THR 64 N -0.0016 -0.0006 -0.0017 2830 THR 64 CA -0.0019 -0.0004 -0.0023 2831 THR 64 C -0.0020 -0.0006 -0.0027 2832 THR 64 O -0.0020 -0.0011 -0.0029 2833 THR 64 CB -0.0019 -0.0006 -0.0025 2834 THR 64 OG1 -0.0018 -0.0012 -0.0026 2835 THR 64 CG2 -0.0018 -0.0004 -0.0020 2836 ASN 65 N -0.0011 0.0031 -0.0024 2837 ASN 65 CA -0.0005 0.0033 -0.0017 2838 ASN 65 C -0.0010 0.0031 -0.0015 2839 ASN 65 O -0.0019 0.0027 -0.0016 2840 ASN 65 CB -0.0002 0.0034 -0.0008 2841 ASN 65 CG -0.0010 0.0031 0.0001 2842 ASN 65 OD1 -0.0017 0.0027 0.0002 2843 ASN 65 ND2 -0.0008 0.0031 0.0007 2844 VAL 66 N -0.0005 0.0033 -0.0011 2845 VAL 66 CA -0.0010 0.0031 -0.0006 2846 VAL 66 C -0.0006 0.0032 0.0005 2847 VAL 66 O 0.0002 0.0036 0.0007 2848 VAL 66 CB -0.0009 0.0031 -0.0012 2849 VAL 66 CG1 -0.0010 0.0031 -0.0024 2850 VAL 66 CG2 0.0000 0.0035 -0.0010 2851 GLY 67 N -0.0012 0.0029 0.0012 2852 GLY 67 CA -0.0009 0.0030 0.0023 2853 GLY 67 C -0.0006 0.0032 0.0029 2854 GLY 67 O -0.0004 0.0033 0.0038 2855 GLY 68 N -0.0005 0.0032 0.0024 2856 GLY 68 CA -0.0000 0.0034 0.0029 2857 GLY 68 C -0.0006 0.0032 0.0028 2858 GLY 68 O -0.0014 0.0028 0.0024 2859 ALA 69 N -0.0033 0.0014 0.0027 2860 ALA 69 CA -0.0034 0.0013 0.0027 2861 ALA 69 C -0.0035 0.0013 0.0028 2862 ALA 69 O -0.0035 0.0012 0.0028 2863 ALA 69 CB -0.0034 0.0012 0.0027 2864 VAL 70 N -0.0036 0.0014 0.0028 2865 VAL 70 CA -0.0037 0.0014 0.0028 2866 VAL 70 C -0.0038 0.0013 0.0028 2867 VAL 70 O -0.0039 0.0014 0.0028 2868 VAL 70 CB -0.0038 0.0015 0.0028 2869 VAL 70 CG1 -0.0039 0.0015 0.0028 2870 VAL 70 CG2 -0.0037 0.0016 0.0028 2871 VAL 71 N -0.0039 0.0012 0.0028 2872 VAL 71 CA -0.0040 0.0012 0.0029 2873 VAL 71 C -0.0041 0.0012 0.0029 2874 VAL 71 O -0.0041 0.0012 0.0029 2875 VAL 71 CB -0.0040 0.0010 0.0029 2876 VAL 71 CG1 -0.0041 0.0010 0.0029 2877 VAL 71 CG2 -0.0039 0.0010 0.0028 2878 THR 72 N -0.0042 0.0013 0.0029 2879 THR 72 CA -0.0043 0.0013 0.0029 2880 THR 72 C -0.0045 0.0013 0.0029 2881 THR 72 O -0.0045 0.0013 0.0029 2882 THR 72 CB -0.0044 0.0015 0.0029 2883 THR 72 OG1 -0.0044 0.0015 0.0029 2884 THR 72 CG2 -0.0042 0.0015 0.0029 2885 GLY 73 N -0.0042 -0.0017 0.0041 2886 GLY 73 CA -0.0034 -0.0017 0.0031 2887 GLY 73 C -0.0027 -0.0018 0.0022 2888 GLY 73 O -0.0018 -0.0025 0.0020 2889 VAL 74 N -0.0030 -0.0010 0.0017 2890 VAL 74 CA -0.0023 -0.0010 0.0007 2891 VAL 74 C -0.0021 -0.0004 -0.0004 2892 VAL 74 O -0.0027 0.0002 -0.0004 2893 VAL 74 CB -0.0027 -0.0005 0.0006 2894 VAL 74 CG1 -0.0032 -0.0010 0.0018 2895 VAL 74 CG2 -0.0035 0.0006 0.0001 2896 THR 75 N -0.0013 -0.0007 -0.0012 2897 THR 75 CA -0.0009 -0.0002 -0.0023 2898 THR 75 C -0.0003 -0.0001 -0.0033 2899 THR 75 O 0.0003 -0.0008 -0.0032 2900 THR 75 CB -0.0003 -0.0009 -0.0022 2901 THR 75 OG1 -0.0009 -0.0011 -0.0012 2902 THR 75 CG2 0.0000 -0.0005 -0.0032 2903 ALA 76 N -0.0005 0.0007 -0.0042 2904 ALA 76 CA 0.0001 0.0010 -0.0053 2905 ALA 76 C 0.0001 0.0009 -0.0053 2906 ALA 76 O 0.0009 0.0005 -0.0057 2907 ALA 76 CB 0.0012 0.0003 -0.0058 2908 VAL 77 N 0.0031 -0.0026 -0.0051 2909 VAL 77 CA 0.0022 -0.0022 -0.0047 2910 VAL 77 C 0.0025 -0.0014 -0.0041 2911 VAL 77 O 0.0030 -0.0013 -0.0040 2912 VAL 77 CB 0.0016 -0.0026 -0.0049 2913 VAL 77 CG1 0.0007 -0.0023 -0.0045 2914 VAL 77 CG2 0.0014 -0.0034 -0.0055 2915 ALA 78 N 0.0021 -0.0010 -0.0036 2916 ALA 78 CA 0.0023 -0.0002 -0.0031 2917 ALA 78 C 0.0015 0.0003 -0.0026 2918 ALA 78 O 0.0013 0.0004 -0.0025 2919 ALA 78 CB 0.0031 0.0001 -0.0030 2920 GLN 79 N 0.0011 0.0005 -0.0023 2921 GLN 79 CA 0.0004 0.0010 -0.0019 2922 GLN 79 C 0.0007 0.0017 -0.0013 2923 GLN 79 O 0.0014 0.0019 -0.0013 2924 GLN 79 CB -0.0005 0.0007 -0.0020 2925 GLN 79 CG -0.0003 0.0007 -0.0020 2926 GLN 79 CD -0.0012 0.0004 -0.0021 2927 GLN 79 OE1 -0.0019 0.0002 -0.0022 2928 GLN 79 NE2 -0.0011 0.0004 -0.0021 2929 LYS 80 N 0.0001 0.0022 -0.0008 2930 LYS 80 CA 0.0002 0.0030 -0.0002 2931 LYS 80 C -0.0008 0.0031 0.0000 2932 LYS 80 O -0.0015 0.0028 -0.0001 2933 LYS 80 CB 0.0006 0.0035 0.0002 2934 LYS 80 CG 0.0008 0.0043 0.0007 2935 LYS 80 CD 0.0012 0.0048 0.0011 2936 LYS 80 CE 0.0013 0.0055 0.0017 2937 LYS 80 NZ 0.0016 0.0062 0.0021 2938 THR 81 N -0.0079 0.0123 -0.0022 2939 THR 81 CA -0.0125 0.0138 -0.0020 2940 THR 81 C -0.0136 0.0188 -0.0024 2941 THR 81 O -0.0137 0.0199 -0.0025 2942 THR 81 CB -0.0164 0.0104 -0.0014 2943 THR 81 OG1 -0.0153 0.0056 -0.0011 2944 THR 81 CG2 -0.0211 0.0118 -0.0012 2945 VAL 82 N -0.0144 0.0220 -0.0026 2946 VAL 82 CA -0.0162 0.0268 -0.0029 2947 VAL 82 C -0.0215 0.0269 -0.0025 2948 VAL 82 O -0.0227 0.0258 -0.0023 2949 VAL 82 CB -0.0134 0.0306 -0.0035 2950 VAL 82 CG1 -0.0157 0.0355 -0.0037 2951 VAL 82 CG2 -0.0082 0.0307 -0.0039 2952 GLU 83 N -0.0245 0.0280 -0.0024 2953 GLU 83 CA -0.0297 0.0284 -0.0021 2954 GLU 83 C -0.0320 0.0237 -0.0015 2955 GLU 83 O -0.0340 0.0234 -0.0013 2956 GLU 83 CB -0.0311 0.0326 -0.0023 2957 GLU 83 CG -0.0298 0.0375 -0.0029 2958 GLU 83 CD -0.0314 0.0416 -0.0031 2959 GLU 83 OE1 -0.0332 0.0407 -0.0029 2960 GLU 83 OE2 -0.0308 0.0458 -0.0035 2961 GLY 84 N -0.0315 0.0201 -0.0012 2962 GLY 84 CA -0.0338 0.0155 -0.0006 2963 GLY 84 C -0.0327 0.0120 -0.0004 2964 GLY 84 O -0.0299 0.0131 -0.0007 2965 ALA 85 N -0.0236 0.0185 0.0020 2966 ALA 85 CA -0.0231 0.0160 0.0019 2967 ALA 85 C -0.0214 0.0135 0.0019 2968 ALA 85 O -0.0221 0.0127 0.0019 2969 ALA 85 CB -0.0261 0.0148 0.0019 2970 GLY 86 N -0.0192 0.0122 0.0019 2971 GLY 86 CA -0.0175 0.0098 0.0019 2972 GLY 86 C -0.0172 0.0070 0.0018 2973 GLY 86 O -0.0156 0.0071 0.0018 2974 SER 87 N -0.0185 0.0045 0.0017 2975 SER 87 CA -0.0183 0.0017 0.0016 2976 SER 87 C -0.0164 -0.0004 0.0016 2977 SER 87 O -0.0174 -0.0016 0.0015 2978 SER 87 CB -0.0214 0.0004 0.0015 2979 SER 87 OG -0.0231 0.0022 0.0015 2980 ILE 88 N -0.0136 -0.0010 0.0016 2981 ILE 88 CA -0.0115 -0.0025 0.0016 2982 ILE 88 C -0.0122 -0.0059 0.0015 2983 ILE 88 O -0.0128 -0.0070 0.0015 2984 ILE 88 CB -0.0082 -0.0019 0.0017 2985 ILE 88 CG1 -0.0075 0.0013 0.0018 2986 ILE 88 CG2 -0.0060 -0.0040 0.0017 2987 ILE 88 CD1 -0.0046 0.0024 0.0019 2988 ALA 89 N -0.0125 0.0002 0.0010 2989 ALA 89 CA -0.0122 0.0014 0.0013 2990 ALA 89 C -0.0111 0.0018 0.0017 2991 ALA 89 O -0.0112 0.0024 0.0017 2992 ALA 89 CB -0.0132 0.0023 0.0010 2993 ALA 90 N -0.0102 0.0013 0.0020 2994 ALA 90 CA -0.0091 0.0016 0.0024 2995 ALA 90 C -0.0084 0.0025 0.0027 2996 ALA 90 O -0.0086 0.0025 0.0027 2997 ALA 90 CB -0.0083 0.0004 0.0026 2998 ALA 91 N -0.0077 0.0031 0.0031 2999 ALA 91 CA -0.0071 0.0041 0.0034 3000 ALA 91 C -0.0060 0.0043 0.0038 3001 ALA 91 O -0.0060 0.0046 0.0038 3002 ALA 91 CB -0.0078 0.0052 0.0032 3003 THR 92 N -0.0050 0.0041 0.0041 3004 THR 92 CA -0.0039 0.0042 0.0045 3005 THR 92 C -0.0033 0.0052 0.0048 3006 THR 92 O -0.0035 0.0052 0.0048 3007 THR 92 CB -0.0032 0.0031 0.0047 3008 THR 92 OG1 -0.0029 0.0027 0.0047 3009 THR 92 CG2 -0.0038 0.0021 0.0044 3010 GLY 93 N -0.0025 0.0073 0.0056 3011 GLY 93 CA -0.0022 0.0072 0.0067 3012 GLY 93 C -0.0018 0.0070 0.0070 3013 GLY 93 O -0.0011 0.0066 0.0076 3014 PHE 94 N -0.0023 0.0072 0.0064 3015 PHE 94 CA -0.0020 0.0070 0.0066 3016 PHE 94 C -0.0020 0.0071 0.0055 3017 PHE 94 O -0.0028 0.0074 0.0049 3018 PHE 94 CB -0.0027 0.0073 0.0075 3019 PHE 94 CG -0.0025 0.0073 0.0086 3020 PHE 94 CD1 -0.0018 0.0069 0.0093 3021 PHE 94 CD2 -0.0031 0.0075 0.0091 3022 PHE 94 CE1 -0.0017 0.0068 0.0104 3023 PHE 94 CE2 -0.0029 0.0075 0.0102 3024 PHE 94 CZ -0.0022 0.0071 0.0108 3025 VAL 95 N -0.0013 0.0067 0.0052 3026 VAL 95 CA -0.0013 0.0067 0.0043 3027 VAL 95 C -0.0010 0.0066 0.0047 3028 VAL 95 O -0.0001 0.0061 0.0051 3029 VAL 95 CB -0.0007 0.0064 0.0033 3030 VAL 95 CG1 -0.0006 0.0064 0.0024 3031 VAL 95 CG2 -0.0010 0.0066 0.0028 3032 LYS 96 N -0.0016 0.0069 0.0046 3033 LYS 96 CA -0.0014 0.0068 0.0050 3034 LYS 96 C -0.0015 0.0068 0.0040 3035 LYS 96 O -0.0017 0.0069 0.0030 3036 LYS 96 CB -0.0021 0.0071 0.0059 3037 LYS 96 CG -0.0020 0.0071 0.0070 3038 LYS 96 CD -0.0011 0.0066 0.0076 3039 LYS 96 CE -0.0010 0.0065 0.0087 3040 LYS 96 NZ -0.0018 0.0069 0.0095 3041 LYS 97 N -0.0025 0.0107 0.0021 3042 LYS 97 CA -0.0018 0.0090 0.0010 3043 LYS 97 C 0.0001 0.0091 0.0009 3044 LYS 97 O 0.0013 0.0103 0.0017 3045 LYS 97 CB -0.0014 0.0082 0.0004 3046 LYS 97 CG -0.0007 0.0064 -0.0008 3047 LYS 97 CD -0.0025 0.0052 -0.0015 3048 LYS 97 CE -0.0018 0.0034 -0.0027 3049 LYS 97 NZ -0.0013 0.0027 -0.0031 3050 ASP 98 N 0.0003 0.0078 0.0001 3051 ASP 98 CA 0.0021 0.0076 -0.0002 3052 ASP 98 C 0.0027 0.0057 -0.0014 3053 ASP 98 O 0.0017 0.0047 -0.0020 3054 ASP 98 CB 0.0018 0.0082 0.0003 3055 ASP 98 CG 0.0037 0.0086 0.0004 3056 ASP 98 OD1 0.0054 0.0083 0.0002 3057 ASP 98 OD2 0.0036 0.0091 0.0008 3058 GLN 99 N 0.0043 0.0052 -0.0018 3059 GLN 99 CA 0.0050 0.0035 -0.0030 3060 GLN 99 C 0.0034 0.0023 -0.0037 3061 GLN 99 O 0.0029 0.0010 -0.0045 3062 GLN 99 CB 0.0070 0.0034 -0.0031 3063 GLN 99 CG 0.0079 0.0016 -0.0043 3064 GLN 99 CD 0.0099 0.0016 -0.0044 3065 GLN 99 OE1 0.0107 0.0029 -0.0036 3066 GLN 99 NE2 0.0108 0.0001 -0.0054 3067 VAL 37 N 0.0118 0.0197 -0.0031 3068 VAL 37 CA 0.0145 0.0166 -0.0030 3069 VAL 37 C 0.0075 0.0146 -0.0015 3070 VAL 37 O 0.0075 0.0143 -0.0014 3071 VAL 37 CB 0.0196 0.0222 -0.0049 3072 VAL 37 CG1 0.0272 0.0220 -0.0062 3073 VAL 37 CG2 0.0163 0.0301 -0.0058 3074 LEU 38 N 0.0014 0.0131 -0.0002 3075 LEU 38 CA -0.0057 0.0112 0.0014 3076 LEU 38 C -0.0052 0.0035 0.0028 3077 LEU 38 O -0.0075 0.0026 0.0033 3078 LEU 38 CB -0.0120 0.0115 0.0024 3079 LEU 38 CG -0.0166 0.0187 0.0018 3080 LEU 38 CD1 -0.0218 0.0210 0.0022 3081 LEU 38 CD2 -0.0118 0.0252 -0.0002 3082 TYR 39 N -0.0021 -0.0021 0.0033 3083 TYR 39 CA -0.0007 -0.0099 0.0045 3084 TYR 39 C -0.0080 -0.0134 0.0064 3085 TYR 39 O -0.0089 -0.0153 0.0069 3086 TYR 39 CB 0.0053 -0.0103 0.0036 3087 TYR 39 CG 0.0132 -0.0087 0.0020 3088 TYR 39 CD1 0.0176 -0.0141 0.0023 3089 TYR 39 CD2 0.0163 -0.0017 0.0002 3090 TYR 39 CE1 0.0248 -0.0127 0.0008 3091 TYR 39 CE2 0.0235 -0.0002 -0.0013 3092 TYR 39 CZ 0.0277 -0.0057 -0.0010 3093 TYR 39 OH 0.0349 -0.0042 -0.0025 3094 VAL 40 N -0.0132 -0.0143 0.0075 3095 VAL 40 CA -0.0203 -0.0179 0.0093 3096 VAL 40 C -0.0190 -0.0263 0.0107 3097 VAL 40 O -0.0221 -0.0298 0.0119 3098 VAL 40 CB -0.0262 -0.0160 0.0100 3099 VAL 40 CG1 -0.0336 -0.0198 0.0119 3100 VAL 40 CG2 -0.0275 -0.0076 0.0086 3101 GLY 41 N 0.0020 -0.0335 0.0096 3102 GLY 41 CA 0.0017 -0.0320 0.0094 3103 GLY 41 C 0.0002 -0.0317 0.0099 3104 GLY 41 O -0.0004 -0.0307 0.0098 3105 SER 42 N -0.0004 -0.0325 0.0103 3106 SER 42 CA -0.0018 -0.0325 0.0108 3107 SER 42 C -0.0024 -0.0311 0.0107 3108 SER 42 O -0.0035 -0.0305 0.0110 3109 SER 42 CB -0.0022 -0.0336 0.0113 3110 SER 42 OG -0.0036 -0.0336 0.0118 3111 LYS 43 N -0.0018 -0.0305 0.0103 3112 LYS 43 CA -0.0021 -0.0291 0.0101 3113 LYS 43 C -0.0009 -0.0286 0.0096 3114 LYS 43 O -0.0005 -0.0292 0.0095 3115 LYS 43 CB -0.0033 -0.0289 0.0106 3116 LYS 43 CG -0.0037 -0.0273 0.0104 3117 LYS 43 CD -0.0050 -0.0272 0.0108 3118 LYS 43 CE -0.0054 -0.0256 0.0106 3119 LYS 43 NZ -0.0045 -0.0248 0.0101 3120 THR 44 N -0.0003 -0.0276 0.0091 3121 THR 44 CA 0.0008 -0.0269 0.0085 3122 THR 44 C 0.0003 -0.0254 0.0083 3123 THR 44 O -0.0004 -0.0248 0.0085 3124 THR 44 CB 0.0021 -0.0271 0.0081 3125 THR 44 OG1 0.0020 -0.0264 0.0080 3126 THR 44 CG2 0.0025 -0.0286 0.0083 3127 LYS 45 N 0.0040 -0.0087 0.0047 3128 LYS 45 CA 0.0034 -0.0071 0.0033 3129 LYS 45 C 0.0054 -0.0064 0.0023 3130 LYS 45 O 0.0064 -0.0062 0.0020 3131 LYS 45 CB 0.0022 -0.0066 0.0030 3132 LYS 45 CG 0.0013 -0.0051 0.0015 3133 LYS 45 CD -0.0001 -0.0047 0.0014 3134 LYS 45 CE -0.0011 -0.0031 -0.0000 3135 LYS 45 NZ -0.0026 -0.0027 -0.0002 3136 GLU 46 N 0.0060 -0.0059 0.0018 3137 GLU 46 CA 0.0081 -0.0056 0.0012 3138 GLU 46 C 0.0082 -0.0042 -0.0001 3139 GLU 46 O 0.0074 -0.0043 0.0000 3140 GLU 46 CB 0.0094 -0.0069 0.0024 3141 GLU 46 CG 0.0086 -0.0077 0.0032 3142 GLU 46 CD 0.0098 -0.0092 0.0045 3143 GLU 46 OE1 0.0112 -0.0096 0.0047 3144 GLU 46 OE2 0.0093 -0.0100 0.0053 3145 GLY 47 N 0.0090 -0.0031 -0.0013 3146 GLY 47 CA 0.0090 -0.0017 -0.0026 3147 GLY 47 C 0.0071 -0.0007 -0.0034 3148 GLY 47 O 0.0063 0.0000 -0.0040 3149 VAL 48 N 0.0063 -0.0006 -0.0034 3150 VAL 48 CA 0.0043 0.0001 -0.0038 3151 VAL 48 C 0.0045 0.0014 -0.0051 3152 VAL 48 O 0.0057 0.0013 -0.0052 3153 VAL 48 CB 0.0030 -0.0010 -0.0026 3154 VAL 48 CG1 0.0008 -0.0003 -0.0030 3155 VAL 48 CG2 0.0028 -0.0023 -0.0013 3156 VAL 49 N 0.0039 -0.0002 -0.0069 3157 VAL 49 CA 0.0038 -0.0002 -0.0067 3158 VAL 49 C 0.0041 -0.0004 -0.0069 3159 VAL 49 O 0.0044 -0.0006 -0.0069 3160 VAL 49 CB 0.0038 -0.0004 -0.0063 3161 VAL 49 CG1 0.0038 -0.0004 -0.0061 3162 VAL 49 CG2 0.0034 -0.0002 -0.0061 3163 HIS 50 N 0.0041 -0.0003 -0.0070 3164 HIS 50 CA 0.0044 -0.0004 -0.0071 3165 HIS 50 C 0.0043 -0.0004 -0.0071 3166 HIS 50 O 0.0040 -0.0002 -0.0072 3167 HIS 50 CB 0.0045 -0.0004 -0.0076 3168 HIS 50 CG 0.0043 -0.0001 -0.0078 3169 HIS 50 ND1 0.0043 -0.0000 -0.0080 3170 HIS 50 CD2 0.0041 0.0001 -0.0080 3171 HIS 50 CE1 0.0041 0.0002 -0.0083 3172 HIS 50 NE2 0.0040 0.0003 -0.0083 3173 GLY 51 N 0.0045 -0.0006 -0.0069 3174 GLY 51 CA 0.0045 -0.0006 -0.0069 3175 GLY 51 C 0.0042 -0.0006 -0.0065 3176 GLY 51 O 0.0039 -0.0004 -0.0065 3177 VAL 52 N 0.0043 -0.0008 -0.0062 3178 VAL 52 CA 0.0041 -0.0008 -0.0058 3179 VAL 52 C 0.0043 -0.0010 -0.0056 3180 VAL 52 O 0.0046 -0.0012 -0.0056 3181 VAL 52 CB 0.0040 -0.0008 -0.0056 3182 VAL 52 CG1 0.0038 -0.0008 -0.0052 3183 VAL 52 CG2 0.0038 -0.0006 -0.0058 3184 ALA 53 N 0.0044 -0.0021 -0.0039 3185 ALA 53 CA 0.0047 -0.0019 -0.0028 3186 ALA 53 C 0.0043 -0.0019 -0.0021 3187 ALA 53 O 0.0034 -0.0019 -0.0022 3188 ALA 53 CB 0.0043 -0.0019 -0.0025 3189 THR 54 N 0.0049 -0.0017 -0.0013 3190 THR 54 CA 0.0046 -0.0017 -0.0006 3191 THR 54 C 0.0051 -0.0015 0.0005 3192 THR 54 O 0.0061 -0.0014 0.0006 3193 THR 54 CB 0.0051 -0.0017 -0.0010 3194 THR 54 OG1 0.0046 -0.0018 -0.0021 3195 THR 54 CG2 0.0048 -0.0016 -0.0003 3196 VAL 55 N 0.0044 -0.0014 0.0013 3197 VAL 55 CA 0.0048 -0.0013 0.0024 3198 VAL 55 C 0.0044 -0.0012 0.0030 3199 VAL 55 O 0.0035 -0.0013 0.0029 3200 VAL 55 CB 0.0043 -0.0012 0.0030 3201 VAL 55 CG1 0.0046 -0.0011 0.0041 3202 VAL 55 CG2 0.0047 -0.0013 0.0024 3203 ALA 56 N 0.0051 -0.0011 0.0036 3204 ALA 56 CA 0.0049 -0.0011 0.0042 3205 ALA 56 C 0.0053 -0.0009 0.0053 3206 ALA 56 O 0.0063 -0.0008 0.0054 3207 ALA 56 CB 0.0054 -0.0011 0.0036 3208 GLU 57 N 0.0046 -0.0005 0.0058 3209 GLU 57 CA 0.0046 -0.0008 0.0058 3210 GLU 57 C 0.0042 -0.0013 0.0053 3211 GLU 57 O 0.0042 -0.0017 0.0053 3212 GLU 57 CB 0.0050 -0.0012 0.0062 3213 GLU 57 CG 0.0054 -0.0008 0.0066 3214 GLU 57 CD 0.0059 -0.0012 0.0070 3215 GLU 57 OE1 0.0059 -0.0018 0.0070 3216 GLU 57 OE2 0.0062 -0.0009 0.0074 3217 LYS 58 N 0.0039 -0.0011 0.0050 3218 LYS 58 CA 0.0035 -0.0014 0.0046 3219 LYS 58 C 0.0034 -0.0016 0.0045 3220 LYS 58 O 0.0033 -0.0012 0.0044 3221 LYS 58 CB 0.0031 -0.0010 0.0042 3222 LYS 58 CG 0.0031 -0.0009 0.0042 3223 LYS 58 CD 0.0027 -0.0005 0.0039 3224 LYS 58 CE 0.0028 -0.0003 0.0039 3225 LYS 58 NZ 0.0024 0.0001 0.0035 3226 THR 59 N 0.0034 -0.0022 0.0045 3227 THR 59 CA 0.0034 -0.0024 0.0044 3228 THR 59 C 0.0029 -0.0024 0.0039 3229 THR 59 O 0.0028 -0.0022 0.0038 3230 THR 59 CB 0.0036 -0.0031 0.0045 3231 THR 59 OG1 0.0040 -0.0032 0.0050 3232 THR 59 CG2 0.0036 -0.0034 0.0045 3233 LYS 60 N 0.0026 -0.0024 0.0036 3234 LYS 60 CA 0.0021 -0.0023 0.0031 3235 LYS 60 C 0.0019 -0.0021 0.0029 3236 LYS 60 O 0.0018 -0.0025 0.0028 3237 LYS 60 CB 0.0019 -0.0029 0.0029 3238 LYS 60 CG 0.0015 -0.0028 0.0024 3239 LYS 60 CD 0.0013 -0.0034 0.0022 3240 LYS 60 CE 0.0009 -0.0033 0.0018 3241 LYS 60 NZ 0.0007 -0.0039 0.0016 3242 GLU 61 N 0.0005 -0.0000 0.0017 3243 GLU 61 CA 0.0003 0.0000 0.0015 3244 GLU 61 C -0.0001 0.0003 0.0008 3245 GLU 61 O -0.0003 0.0009 0.0008 3246 GLU 61 CB 0.0004 0.0005 0.0020 3247 GLU 61 CG 0.0002 0.0006 0.0017 3248 GLU 61 CD 0.0003 0.0011 0.0022 3249 GLU 61 OE1 0.0005 0.0013 0.0028 3250 GLU 61 OE2 0.0002 0.0012 0.0021 3251 GLN 62 N -0.0002 -0.0001 0.0003 3252 GLN 62 CA -0.0006 0.0001 -0.0004 3253 GLN 62 C -0.0007 0.0001 -0.0007 3254 GLN 62 O -0.0006 -0.0005 -0.0008 3255 GLN 62 CB -0.0006 -0.0004 -0.0008 3256 GLN 62 CG -0.0010 -0.0002 -0.0015 3257 GLN 62 CD -0.0010 -0.0007 -0.0019 3258 GLN 62 OE1 -0.0007 -0.0012 -0.0016 3259 GLN 62 NE2 -0.0013 -0.0006 -0.0025 3260 VAL 63 N -0.0010 0.0006 -0.0009 3261 VAL 63 CA -0.0011 0.0007 -0.0013 3262 VAL 63 C -0.0015 0.0010 -0.0019 3263 VAL 63 O -0.0017 0.0016 -0.0019 3264 VAL 63 CB -0.0011 0.0011 -0.0008 3265 VAL 63 CG1 -0.0013 0.0011 -0.0012 3266 VAL 63 CG2 -0.0007 0.0008 -0.0002 3267 THR 64 N -0.0017 0.0005 -0.0025 3268 THR 64 CA -0.0020 0.0008 -0.0031 3269 THR 64 C -0.0022 0.0005 -0.0036 3270 THR 64 O -0.0021 -0.0001 -0.0038 3271 THR 64 CB -0.0021 0.0005 -0.0034 3272 THR 64 OG1 -0.0019 -0.0002 -0.0036 3273 THR 64 CG2 -0.0019 0.0006 -0.0029 3274 ASN 65 N -0.0015 0.0032 -0.0032 3275 ASN 65 CA -0.0008 0.0033 -0.0027 3276 ASN 65 C -0.0011 0.0032 -0.0026 3277 ASN 65 O -0.0019 0.0030 -0.0027 3278 ASN 65 CB -0.0005 0.0031 -0.0017 3279 ASN 65 CG -0.0012 0.0028 -0.0009 3280 ASN 65 OD1 -0.0018 0.0026 -0.0009 3281 ASN 65 ND2 -0.0011 0.0027 -0.0003 3282 VAL 66 N -0.0004 0.0033 -0.0023 3283 VAL 66 CA -0.0007 0.0032 -0.0020 3284 VAL 66 C -0.0002 0.0031 -0.0011 3285 VAL 66 O 0.0005 0.0033 -0.0009 3286 VAL 66 CB -0.0005 0.0034 -0.0027 3287 VAL 66 CG1 -0.0007 0.0035 -0.0037 3288 VAL 66 CG2 0.0005 0.0037 -0.0026 3289 GLY 67 N -0.0007 0.0028 -0.0005 3290 GLY 67 CA -0.0004 0.0027 0.0005 3291 GLY 67 C -0.0001 0.0026 0.0011 3292 GLY 67 O 0.0002 0.0025 0.0019 3293 GLY 68 N -0.0002 0.0027 0.0008 3294 GLY 68 CA 0.0001 0.0026 0.0014 3295 GLY 68 C -0.0006 0.0024 0.0015 3296 GLY 68 O -0.0014 0.0023 0.0011 3297 ALA 69 N -0.0024 0.0010 0.0024 3298 ALA 69 CA -0.0025 0.0010 0.0024 3299 ALA 69 C -0.0026 0.0009 0.0025 3300 ALA 69 O -0.0025 0.0008 0.0025 3301 ALA 69 CB -0.0025 0.0008 0.0025 3302 VAL 70 N -0.0027 0.0010 0.0025 3303 VAL 70 CA -0.0028 0.0010 0.0025 3304 VAL 70 C -0.0029 0.0009 0.0026 3305 VAL 70 O -0.0030 0.0010 0.0026 3306 VAL 70 CB -0.0028 0.0011 0.0025 3307 VAL 70 CG1 -0.0029 0.0011 0.0025 3308 VAL 70 CG2 -0.0027 0.0011 0.0024 3309 VAL 71 N -0.0029 0.0008 0.0027 3310 VAL 71 CA -0.0031 0.0008 0.0027 3311 VAL 71 C -0.0031 0.0008 0.0028 3312 VAL 71 O -0.0031 0.0008 0.0028 3313 VAL 71 CB -0.0030 0.0006 0.0028 3314 VAL 71 CG1 -0.0032 0.0006 0.0029 3315 VAL 71 CG2 -0.0030 0.0006 0.0028 3316 THR 72 N -0.0033 0.0009 0.0028 3317 THR 72 CA -0.0033 0.0009 0.0028 3318 THR 72 C -0.0035 0.0009 0.0028 3319 THR 72 O -0.0035 0.0009 0.0029 3320 THR 72 CB -0.0034 0.0011 0.0027 3321 THR 72 OG1 -0.0034 0.0011 0.0027 3322 THR 72 CG2 -0.0032 0.0011 0.0026 3323 GLY 73 N -0.0021 -0.0021 0.0030 3324 GLY 73 CA -0.0016 -0.0021 0.0021 3325 GLY 73 C -0.0011 -0.0022 0.0014 3326 GLY 73 O -0.0004 -0.0028 0.0012 3327 VAL 74 N -0.0013 -0.0016 0.0010 3328 VAL 74 CA -0.0008 -0.0017 0.0003 3329 VAL 74 C -0.0007 -0.0012 -0.0006 3330 VAL 74 O -0.0011 -0.0007 -0.0006 3331 VAL 74 CB -0.0011 -0.0013 0.0003 3332 VAL 74 CG1 -0.0014 -0.0017 0.0012 3333 VAL 74 CG2 -0.0017 -0.0004 -0.0001 3334 THR 75 N -0.0000 -0.0014 -0.0013 3335 THR 75 CA 0.0002 -0.0011 -0.0022 3336 THR 75 C 0.0007 -0.0010 -0.0029 3337 THR 75 O 0.0012 -0.0016 -0.0029 3338 THR 75 CB 0.0007 -0.0016 -0.0021 3339 THR 75 OG1 0.0003 -0.0017 -0.0013 3340 THR 75 CG2 0.0009 -0.0012 -0.0030 3341 ALA 76 N 0.0005 -0.0003 -0.0037 3342 ALA 76 CA 0.0010 -0.0002 -0.0046 3343 ALA 76 C 0.0010 -0.0003 -0.0045 3344 ALA 76 O 0.0016 -0.0007 -0.0048 3345 ALA 76 CB 0.0018 -0.0008 -0.0050 3346 VAL 77 N 0.0029 -0.0035 -0.0041 3347 VAL 77 CA 0.0021 -0.0032 -0.0036 3348 VAL 77 C 0.0021 -0.0020 -0.0036 3349 VAL 77 O 0.0021 -0.0014 -0.0036 3350 VAL 77 CB 0.0012 -0.0037 -0.0031 3351 VAL 77 CG1 0.0004 -0.0034 -0.0026 3352 VAL 77 CG2 0.0012 -0.0049 -0.0031 3353 ALA 78 N 0.0020 -0.0016 -0.0035 3354 ALA 78 CA 0.0021 -0.0004 -0.0036 3355 ALA 78 C 0.0015 -0.0001 -0.0032 3356 ALA 78 O 0.0018 -0.0003 -0.0034 3357 ALA 78 CB 0.0031 -0.0001 -0.0042 3358 GLN 79 N 0.0007 0.0004 -0.0027 3359 GLN 79 CA 0.0001 0.0007 -0.0024 3360 GLN 79 C 0.0000 0.0020 -0.0023 3361 GLN 79 O 0.0003 0.0025 -0.0025 3362 GLN 79 CB -0.0009 0.0003 -0.0018 3363 GLN 79 CG -0.0015 0.0007 -0.0014 3364 GLN 79 CD -0.0025 0.0002 -0.0009 3365 GLN 79 OE1 -0.0027 -0.0004 -0.0007 3366 GLN 79 NE2 -0.0030 0.0006 -0.0005 3367 LYS 80 N -0.0003 0.0024 -0.0021 3368 LYS 80 CA -0.0005 0.0035 -0.0020 3369 LYS 80 C -0.0015 0.0035 -0.0014 3370 LYS 80 O -0.0018 0.0028 -0.0012 3371 LYS 80 CB 0.0002 0.0042 -0.0024 3372 LYS 80 CG -0.0000 0.0054 -0.0023 3373 LYS 80 CD 0.0007 0.0061 -0.0026 3374 LYS 80 CE 0.0004 0.0073 -0.0025 3375 LYS 80 NZ 0.0009 0.0080 -0.0028 3376 THR 81 N -0.0061 0.0100 -0.0025 3377 THR 81 CA -0.0104 0.0112 -0.0020 3378 THR 81 C -0.0116 0.0161 -0.0025 3379 THR 81 O -0.0120 0.0174 -0.0027 3380 THR 81 CB -0.0141 0.0081 -0.0010 3381 THR 81 OG1 -0.0129 0.0035 -0.0004 3382 THR 81 CG2 -0.0184 0.0093 -0.0005 3383 VAL 82 N -0.0122 0.0188 -0.0029 3384 VAL 82 CA -0.0140 0.0234 -0.0033 3385 VAL 82 C -0.0189 0.0233 -0.0025 3386 VAL 82 O -0.0198 0.0221 -0.0022 3387 VAL 82 CB -0.0113 0.0268 -0.0042 3388 VAL 82 CG1 -0.0136 0.0314 -0.0046 3389 VAL 82 CG2 -0.0065 0.0270 -0.0050 3390 GLU 83 N -0.0220 0.0247 -0.0023 3391 GLU 83 CA -0.0269 0.0250 -0.0016 3392 GLU 83 C -0.0288 0.0204 -0.0006 3393 GLU 83 O -0.0305 0.0198 -0.0002 3394 GLU 83 CB -0.0281 0.0287 -0.0019 3395 GLU 83 CG -0.0270 0.0334 -0.0028 3396 GLU 83 CD -0.0284 0.0371 -0.0032 3397 GLU 83 OE1 -0.0299 0.0359 -0.0028 3398 GLU 83 OE2 -0.0280 0.0411 -0.0038 3399 GLY 84 N -0.0285 0.0172 -0.0001 3400 GLY 84 CA -0.0305 0.0128 0.0008 3401 GLY 84 C -0.0296 0.0098 0.0012 3402 GLY 84 O -0.0273 0.0111 0.0006 3403 ALA 85 N -0.0206 0.0133 0.0028 3404 ALA 85 CA -0.0203 0.0114 0.0028 3405 ALA 85 C -0.0186 0.0089 0.0026 3406 ALA 85 O -0.0191 0.0078 0.0027 3407 ALA 85 CB -0.0230 0.0104 0.0032 3408 GLY 86 N -0.0167 0.0080 0.0023 3409 GLY 86 CA -0.0151 0.0057 0.0022 3410 GLY 86 C -0.0149 0.0036 0.0022 3411 GLY 86 O -0.0136 0.0040 0.0020 3412 SER 87 N -0.0160 0.0012 0.0024 3413 SER 87 CA -0.0159 -0.0011 0.0024 3414 SER 87 C -0.0141 -0.0032 0.0022 3415 SER 87 O -0.0149 -0.0046 0.0024 3416 SER 87 CB -0.0187 -0.0023 0.0029 3417 SER 87 OG -0.0203 -0.0004 0.0031 3418 ILE 88 N -0.0117 -0.0035 0.0019 3419 ILE 88 CA -0.0096 -0.0052 0.0016 3420 ILE 88 C -0.0102 -0.0082 0.0018 3421 ILE 88 O -0.0106 -0.0095 0.0019 3422 ILE 88 CB -0.0068 -0.0044 0.0012 3423 ILE 88 CG1 -0.0061 -0.0016 0.0010 3424 ILE 88 CG2 -0.0048 -0.0065 0.0009 3425 ILE 88 CD1 -0.0036 -0.0004 0.0006 3426 ALA 89 N -0.0097 -0.0013 0.0027 3427 ALA 89 CA -0.0095 -0.0002 0.0028 3428 ALA 89 C -0.0085 -0.0000 0.0030 3429 ALA 89 O -0.0085 0.0003 0.0030 3430 ALA 89 CB -0.0103 0.0005 0.0027 3431 ALA 90 N -0.0077 -0.0003 0.0031 3432 ALA 90 CA -0.0067 -0.0001 0.0032 3433 ALA 90 C -0.0061 0.0007 0.0034 3434 ALA 90 O -0.0063 0.0010 0.0034 3435 ALA 90 CB -0.0060 -0.0011 0.0032 3436 ALA 91 N -0.0055 0.0012 0.0035 3437 ALA 91 CA -0.0050 0.0021 0.0037 3438 ALA 91 C -0.0040 0.0022 0.0038 3439 ALA 91 O -0.0040 0.0023 0.0038 3440 ALA 91 CB -0.0056 0.0031 0.0036 3441 THR 92 N -0.0031 0.0022 0.0039 3442 THR 92 CA -0.0021 0.0022 0.0041 3443 THR 92 C -0.0016 0.0032 0.0042 3444 THR 92 O -0.0018 0.0034 0.0042 3445 THR 92 CB -0.0015 0.0013 0.0041 3446 THR 92 OG1 -0.0013 0.0012 0.0041 3447 THR 92 CG2 -0.0020 0.0003 0.0040 3448 GLY 93 N 0.0006 0.0048 0.0050 3449 GLY 93 CA 0.0009 0.0048 0.0059 3450 GLY 93 C 0.0013 0.0046 0.0061 3451 GLY 93 O 0.0020 0.0044 0.0066 3452 PHE 94 N 0.0011 0.0047 0.0057 3453 PHE 94 CA 0.0014 0.0046 0.0058 3454 PHE 94 C 0.0014 0.0045 0.0049 3455 PHE 94 O 0.0007 0.0047 0.0044 3456 PHE 94 CB 0.0010 0.0049 0.0065 3457 PHE 94 CG 0.0011 0.0049 0.0074 3458 PHE 94 CD1 0.0017 0.0047 0.0080 3459 PHE 94 CD2 0.0006 0.0052 0.0078 3460 PHE 94 CE1 0.0019 0.0048 0.0089 3461 PHE 94 CE2 0.0007 0.0053 0.0087 3462 PHE 94 CZ 0.0013 0.0051 0.0092 3463 VAL 95 N 0.0020 0.0041 0.0047 3464 VAL 95 CA 0.0020 0.0040 0.0039 3465 VAL 95 C 0.0024 0.0039 0.0043 3466 VAL 95 O 0.0031 0.0036 0.0046 3467 VAL 95 CB 0.0025 0.0037 0.0031 3468 VAL 95 CG1 0.0026 0.0035 0.0024 3469 VAL 95 CG2 0.0020 0.0038 0.0027 3470 LYS 96 N 0.0020 0.0041 0.0042 3471 LYS 96 CA 0.0023 0.0040 0.0045 3472 LYS 96 C 0.0023 0.0038 0.0037 3473 LYS 96 O 0.0020 0.0039 0.0029 3474 LYS 96 CB 0.0018 0.0043 0.0052 3475 LYS 96 CG 0.0019 0.0044 0.0061 3476 LYS 96 CD 0.0027 0.0041 0.0066 3477 LYS 96 CE 0.0027 0.0042 0.0075 3478 LYS 96 NZ 0.0022 0.0045 0.0082 3479 LYS 97 N 0.0023 0.0090 0.0016 3480 LYS 97 CA 0.0027 0.0081 0.0009 3481 LYS 97 C 0.0037 0.0082 0.0006 3482 LYS 97 O 0.0044 0.0089 0.0010 3483 LYS 97 CB 0.0030 0.0079 0.0006 3484 LYS 97 CG 0.0034 0.0069 -0.0002 3485 LYS 97 CD 0.0024 0.0061 -0.0005 3486 LYS 97 CE 0.0028 0.0052 -0.0012 3487 LYS 97 NZ 0.0031 0.0050 -0.0014 3488 ASP 98 N 0.0039 0.0074 0.0000 3489 ASP 98 CA 0.0048 0.0073 -0.0003 3490 ASP 98 C 0.0052 0.0063 -0.0011 3491 ASP 98 O 0.0047 0.0058 -0.0013 3492 ASP 98 CB 0.0046 0.0074 -0.0001 3493 ASP 98 CG 0.0056 0.0076 -0.0003 3494 ASP 98 OD1 0.0066 0.0077 -0.0005 3495 ASP 98 OD2 0.0055 0.0078 -0.0001 3496 GLN 99 N 0.0060 0.0061 -0.0015 3497 GLN 99 CA 0.0064 0.0051 -0.0022 3498 GLN 99 C 0.0055 0.0043 -0.0026 3499 GLN 99 O 0.0053 0.0036 -0.0030 3500 GLN 99 CB 0.0075 0.0051 -0.0025 3501 GLN 99 CG 0.0080 0.0042 -0.0033 3502 GLN 99 CD 0.0091 0.0042 -0.0036 3503 GLN 99 OE1 0.0095 0.0049 -0.0032 3504 GLN 99 NE2 0.0096 0.0035 -0.0043 3505 VAL 37 N 0.0118 0.0079 -0.0013 3506 VAL 37 CA 0.0137 0.0053 -0.0009 3507 VAL 37 C 0.0083 0.0034 -0.0000 3508 VAL 37 O 0.0082 0.0028 0.0001 3509 VAL 37 CB 0.0174 0.0093 -0.0021 3510 VAL 37 CG1 0.0233 0.0095 -0.0027 3511 VAL 37 CG2 0.0148 0.0151 -0.0032 3512 LEU 38 N 0.0039 0.0024 0.0006 3513 LEU 38 CA -0.0015 0.0006 0.0014 3514 LEU 38 C -0.0011 -0.0053 0.0027 3515 LEU 38 O -0.0031 -0.0063 0.0031 3516 LEU 38 CB -0.0062 0.0011 0.0017 3517 LEU 38 CG -0.0097 0.0064 0.0008 3518 LEU 38 CD1 -0.0138 0.0077 0.0009 3519 LEU 38 CD2 -0.0061 0.0115 -0.0007 3520 TYR 39 N 0.0014 -0.0091 0.0034 3521 TYR 39 CA 0.0024 -0.0150 0.0046 3522 TYR 39 C -0.0031 -0.0180 0.0058 3523 TYR 39 O -0.0039 -0.0197 0.0062 3524 TYR 39 CB 0.0069 -0.0155 0.0044 3525 TYR 39 CG 0.0129 -0.0140 0.0035 3526 TYR 39 CD1 0.0164 -0.0178 0.0041 3527 TYR 39 CD2 0.0151 -0.0089 0.0022 3528 TYR 39 CE1 0.0219 -0.0164 0.0033 3529 TYR 39 CE2 0.0206 -0.0075 0.0014 3530 TYR 39 CZ 0.0239 -0.0113 0.0020 3531 TYR 39 OH 0.0294 -0.0099 0.0012 3532 VAL 40 N -0.0069 -0.0184 0.0062 3533 VAL 40 CA -0.0122 -0.0213 0.0073 3534 VAL 40 C -0.0111 -0.0276 0.0086 3535 VAL 40 O -0.0136 -0.0305 0.0095 3536 VAL 40 CB -0.0165 -0.0197 0.0073 3537 VAL 40 CG1 -0.0221 -0.0228 0.0084 3538 VAL 40 CG2 -0.0176 -0.0134 0.0060 3539 GLY 41 N 0.0055 -0.0326 0.0081 3540 GLY 41 CA 0.0051 -0.0307 0.0077 3541 GLY 41 C 0.0031 -0.0303 0.0080 3542 GLY 41 O 0.0022 -0.0291 0.0079 3543 SER 42 N 0.0023 -0.0313 0.0084 3544 SER 42 CA 0.0004 -0.0312 0.0089 3545 SER 42 C -0.0004 -0.0294 0.0086 3546 SER 42 O -0.0019 -0.0288 0.0088 3547 SER 42 CB -0.0001 -0.0326 0.0094 3548 SER 42 OG -0.0019 -0.0326 0.0098 3549 LYS 43 N 0.0005 -0.0285 0.0081 3550 LYS 43 CA 0.0000 -0.0266 0.0077 3551 LYS 43 C 0.0017 -0.0258 0.0071 3552 LYS 43 O 0.0023 -0.0263 0.0071 3553 LYS 43 CB -0.0016 -0.0262 0.0080 3554 LYS 43 CG -0.0022 -0.0243 0.0076 3555 LYS 43 CD -0.0039 -0.0240 0.0079 3556 LYS 43 CE -0.0045 -0.0220 0.0075 3557 LYS 43 NZ -0.0032 -0.0208 0.0069 3558 THR 44 N 0.0024 -0.0245 0.0066 3559 THR 44 CA 0.0038 -0.0235 0.0059 3560 THR 44 C 0.0032 -0.0216 0.0055 3561 THR 44 O 0.0021 -0.0210 0.0056 3562 THR 44 CB 0.0056 -0.0238 0.0056 3563 THR 44 OG1 0.0053 -0.0232 0.0055 3564 THR 44 CG2 0.0062 -0.0258 0.0060 3565 LYS 45 N 0.0047 -0.0062 0.0014 3566 LYS 45 CA 0.0043 -0.0050 0.0004 3567 LYS 45 C 0.0057 -0.0045 -0.0003 3568 LYS 45 O 0.0063 -0.0045 -0.0005 3569 LYS 45 CB 0.0034 -0.0047 0.0003 3570 LYS 45 CG 0.0027 -0.0035 -0.0006 3571 LYS 45 CD 0.0016 -0.0033 -0.0006 3572 LYS 45 CE 0.0010 -0.0021 -0.0015 3573 LYS 45 NZ -0.0001 -0.0018 -0.0015 3574 GLU 46 N 0.0061 -0.0042 -0.0007 3575 GLU 46 CA 0.0076 -0.0039 -0.0013 3576 GLU 46 C 0.0077 -0.0029 -0.0022 3577 GLU 46 O 0.0073 -0.0028 -0.0021 3578 GLU 46 CB 0.0086 -0.0049 -0.0006 3579 GLU 46 CG 0.0080 -0.0055 0.0000 3580 GLU 46 CD 0.0089 -0.0066 0.0008 3581 GLU 46 OE1 0.0099 -0.0069 0.0009 3582 GLU 46 OE2 0.0087 -0.0071 0.0013 3583 GLY 47 N 0.0083 -0.0021 -0.0030 3584 GLY 47 CA 0.0083 -0.0010 -0.0039 3585 GLY 47 C 0.0069 -0.0003 -0.0043 3586 GLY 47 O 0.0064 0.0003 -0.0048 3587 VAL 48 N 0.0063 -0.0002 -0.0043 3588 VAL 48 CA 0.0049 0.0003 -0.0044 3589 VAL 48 C 0.0050 0.0012 -0.0053 3590 VAL 48 O 0.0058 0.0011 -0.0053 3591 VAL 48 CB 0.0039 -0.0005 -0.0035 3592 VAL 48 CG1 0.0024 0.0001 -0.0037 3593 VAL 48 CG2 0.0038 -0.0014 -0.0027 3594 VAL 49 N 0.0044 -0.0000 -0.0067 3595 VAL 49 CA 0.0043 -0.0001 -0.0065 3596 VAL 49 C 0.0047 -0.0003 -0.0067 3597 VAL 49 O 0.0050 -0.0005 -0.0067 3598 VAL 49 CB 0.0042 -0.0003 -0.0060 3599 VAL 49 CG1 0.0043 -0.0004 -0.0058 3600 VAL 49 CG2 0.0038 -0.0001 -0.0058 3601 HIS 50 N 0.0047 -0.0002 -0.0069 3602 HIS 50 CA 0.0050 -0.0004 -0.0070 3603 HIS 50 C 0.0050 -0.0003 -0.0070 3604 HIS 50 O 0.0047 -0.0001 -0.0071 3605 HIS 50 CB 0.0052 -0.0003 -0.0075 3606 HIS 50 CG 0.0050 0.0001 -0.0078 3607 HIS 50 ND1 0.0051 0.0002 -0.0080 3608 HIS 50 CD2 0.0048 0.0003 -0.0080 3609 HIS 50 CE1 0.0049 0.0005 -0.0083 3610 HIS 50 NE2 0.0047 0.0006 -0.0083 3611 GLY 51 N 0.0052 -0.0006 -0.0069 3612 GLY 51 CA 0.0052 -0.0006 -0.0068 3613 GLY 51 C 0.0049 -0.0006 -0.0064 3614 GLY 51 O 0.0047 -0.0004 -0.0064 3615 VAL 52 N 0.0050 -0.0009 -0.0060 3616 VAL 52 CA 0.0048 -0.0009 -0.0056 3617 VAL 52 C 0.0050 -0.0012 -0.0054 3618 VAL 52 O 0.0053 -0.0015 -0.0053 3619 VAL 52 CB 0.0046 -0.0010 -0.0053 3620 VAL 52 CG1 0.0044 -0.0010 -0.0049 3621 VAL 52 CG2 0.0043 -0.0007 -0.0055 3622 ALA 53 N 0.0052 -0.0024 -0.0037 3623 ALA 53 CA 0.0054 -0.0021 -0.0027 3624 ALA 53 C 0.0051 -0.0020 -0.0020 3625 ALA 53 O 0.0042 -0.0021 -0.0021 3626 ALA 53 CB 0.0050 -0.0021 -0.0023 3627 THR 54 N 0.0057 -0.0018 -0.0012 3628 THR 54 CA 0.0055 -0.0017 -0.0006 3629 THR 54 C 0.0059 -0.0015 0.0005 3630 THR 54 O 0.0069 -0.0014 0.0006 3631 THR 54 CB 0.0060 -0.0018 -0.0010 3632 THR 54 OG1 0.0056 -0.0020 -0.0020 3633 THR 54 CG2 0.0058 -0.0016 -0.0003 3634 VAL 55 N 0.0053 -0.0014 0.0013 3635 VAL 55 CA 0.0056 -0.0011 0.0024 3636 VAL 55 C 0.0053 -0.0011 0.0029 3637 VAL 55 O 0.0044 -0.0012 0.0028 3638 VAL 55 CB 0.0051 -0.0011 0.0029 3639 VAL 55 CG1 0.0053 -0.0008 0.0040 3640 VAL 55 CG2 0.0054 -0.0011 0.0024 3641 ALA 56 N 0.0061 -0.0009 0.0034 3642 ALA 56 CA 0.0059 -0.0008 0.0040 3643 ALA 56 C 0.0063 -0.0005 0.0051 3644 ALA 56 O 0.0073 -0.0004 0.0052 3645 ALA 56 CB 0.0064 -0.0008 0.0035 3646 GLU 57 N 0.0056 0.0003 0.0058 3647 GLU 57 CA 0.0056 -0.0001 0.0057 3648 GLU 57 C 0.0052 -0.0006 0.0051 3649 GLU 57 O 0.0053 -0.0012 0.0050 3650 GLU 57 CB 0.0061 -0.0006 0.0061 3651 GLU 57 CG 0.0065 -0.0001 0.0067 3652 GLU 57 CD 0.0071 -0.0006 0.0071 3653 GLU 57 OE1 0.0072 -0.0012 0.0070 3654 GLU 57 OE2 0.0074 -0.0002 0.0076 3655 LYS 58 N 0.0047 -0.0004 0.0047 3656 LYS 58 CA 0.0043 -0.0008 0.0041 3657 LYS 58 C 0.0041 -0.0010 0.0039 3658 LYS 58 O 0.0039 -0.0006 0.0038 3659 LYS 58 CB 0.0038 -0.0003 0.0038 3660 LYS 58 CG 0.0039 -0.0002 0.0039 3661 LYS 58 CD 0.0034 0.0003 0.0036 3662 LYS 58 CE 0.0035 0.0004 0.0037 3663 LYS 58 NZ 0.0030 0.0009 0.0034 3664 THR 59 N 0.0042 -0.0018 0.0038 3665 THR 59 CA 0.0041 -0.0020 0.0036 3666 THR 59 C 0.0035 -0.0019 0.0030 3667 THR 59 O 0.0033 -0.0018 0.0028 3668 THR 59 CB 0.0044 -0.0028 0.0037 3669 THR 59 OG1 0.0050 -0.0029 0.0042 3670 THR 59 CG2 0.0044 -0.0031 0.0035 3671 LYS 60 N 0.0032 -0.0020 0.0026 3672 LYS 60 CA 0.0026 -0.0019 0.0021 3673 LYS 60 C 0.0024 -0.0017 0.0019 3674 LYS 60 O 0.0025 -0.0021 0.0018 3675 LYS 60 CB 0.0025 -0.0026 0.0017 3676 LYS 60 CG 0.0019 -0.0025 0.0011 3677 LYS 60 CD 0.0018 -0.0032 0.0007 3678 LYS 60 CE 0.0012 -0.0031 0.0002 3679 LYS 60 NZ 0.0010 -0.0037 -0.0002 3680 GLU 61 N 0.0005 0.0009 0.0008 3681 GLU 61 CA 0.0004 0.0011 0.0007 3682 GLU 61 C -0.0002 0.0014 -0.0001 3683 GLU 61 O -0.0006 0.0021 -0.0002 3684 GLU 61 CB 0.0004 0.0016 0.0015 3685 GLU 61 CG 0.0003 0.0018 0.0013 3686 GLU 61 CD 0.0003 0.0023 0.0021 3687 GLU 61 OE1 0.0004 0.0026 0.0028 3688 GLU 61 OE2 0.0002 0.0025 0.0021 3689 GLN 62 N -0.0002 0.0009 -0.0008 3690 GLN 62 CA -0.0008 0.0011 -0.0017 3691 GLN 62 C -0.0009 0.0010 -0.0019 3692 GLN 62 O -0.0005 0.0004 -0.0020 3693 GLN 62 CB -0.0007 0.0005 -0.0024 3694 GLN 62 CG -0.0013 0.0007 -0.0033 3695 GLN 62 CD -0.0013 0.0001 -0.0039 3696 GLN 62 OE1 -0.0008 -0.0004 -0.0037 3697 GLN 62 NE2 -0.0017 0.0003 -0.0047 3698 VAL 63 N -0.0013 0.0018 -0.0021 3699 VAL 63 CA -0.0015 0.0018 -0.0023 3700 VAL 63 C -0.0021 0.0022 -0.0032 3701 VAL 63 O -0.0025 0.0029 -0.0031 3702 VAL 63 CB -0.0015 0.0023 -0.0016 3703 VAL 63 CG1 -0.0016 0.0024 -0.0020 3704 VAL 63 CG2 -0.0009 0.0020 -0.0008 3705 THR 64 N -0.0021 0.0016 -0.0040 3706 THR 64 CA -0.0027 0.0019 -0.0048 3707 THR 64 C -0.0028 0.0016 -0.0053 3708 THR 64 O -0.0025 0.0008 -0.0057 3709 THR 64 CB -0.0028 0.0016 -0.0053 3710 THR 64 OG1 -0.0024 0.0007 -0.0057 3711 THR 64 CG2 -0.0026 0.0017 -0.0048 3712 ASN 65 N -0.0018 0.0045 -0.0050 3713 ASN 65 CA -0.0007 0.0043 -0.0046 3714 ASN 65 C -0.0010 0.0044 -0.0048 3715 ASN 65 O -0.0020 0.0045 -0.0051 3716 ASN 65 CB -0.0004 0.0038 -0.0033 3717 ASN 65 CG -0.0013 0.0035 -0.0024 3718 ASN 65 OD1 -0.0020 0.0036 -0.0025 3719 ASN 65 ND2 -0.0013 0.0031 -0.0013 3720 VAL 66 N -0.0000 0.0044 -0.0049 3721 VAL 66 CA -0.0002 0.0044 -0.0049 3722 VAL 66 C 0.0005 0.0040 -0.0038 3723 VAL 66 O 0.0015 0.0038 -0.0035 3724 VAL 66 CB 0.0002 0.0048 -0.0060 3725 VAL 66 CG1 -0.0003 0.0052 -0.0071 3726 VAL 66 CG2 0.0016 0.0048 -0.0061 3727 GLY 67 N -0.0000 0.0038 -0.0032 3728 GLY 67 CA 0.0005 0.0034 -0.0022 3729 GLY 67 C 0.0008 0.0030 -0.0012 3730 GLY 67 O 0.0012 0.0027 -0.0003 3731 GLY 68 N 0.0005 0.0030 -0.0012 3732 GLY 68 CA 0.0008 0.0027 -0.0002 3733 GLY 68 C -0.0002 0.0026 0.0002 3734 GLY 68 O -0.0013 0.0027 -0.0002 3735 ALA 69 N -0.0019 0.0011 0.0016 3736 ALA 69 CA -0.0021 0.0011 0.0018 3737 ALA 69 C -0.0021 0.0010 0.0019 3738 ALA 69 O -0.0019 0.0008 0.0020 3739 ALA 69 CB -0.0021 0.0010 0.0020 3740 VAL 70 N -0.0023 0.0011 0.0019 3741 VAL 70 CA -0.0022 0.0010 0.0020 3742 VAL 70 C -0.0025 0.0010 0.0023 3743 VAL 70 O -0.0027 0.0012 0.0023 3744 VAL 70 CB -0.0023 0.0012 0.0018 3745 VAL 70 CG1 -0.0023 0.0011 0.0019 3746 VAL 70 CG2 -0.0020 0.0011 0.0016 3747 VAL 71 N -0.0024 0.0009 0.0025 3748 VAL 71 CA -0.0026 0.0009 0.0027 3749 VAL 71 C -0.0026 0.0009 0.0028 3750 VAL 71 O -0.0024 0.0007 0.0028 3751 VAL 71 CB -0.0025 0.0007 0.0030 3752 VAL 71 CG1 -0.0027 0.0007 0.0032 3753 VAL 71 CG2 -0.0025 0.0007 0.0030 3754 THR 72 N -0.0028 0.0010 0.0028 3755 THR 72 CA -0.0028 0.0010 0.0028 3756 THR 72 C -0.0030 0.0009 0.0030 3757 THR 72 O -0.0032 0.0011 0.0031 3758 THR 72 CB -0.0029 0.0011 0.0025 3759 THR 72 OG1 -0.0032 0.0013 0.0025 3760 THR 72 CG2 -0.0027 0.0012 0.0023 3761 GLY 73 N -0.0014 -0.0019 0.0029 3762 GLY 73 CA -0.0010 -0.0019 0.0021 3763 GLY 73 C -0.0005 -0.0021 0.0015 3764 GLY 73 O 0.0001 -0.0026 0.0012 3765 VAL 74 N -0.0008 -0.0016 0.0011 3766 VAL 74 CA -0.0003 -0.0017 0.0004 3767 VAL 74 C -0.0002 -0.0013 -0.0004 3768 VAL 74 O -0.0006 -0.0007 -0.0004 3769 VAL 74 CB -0.0005 -0.0014 0.0005 3770 VAL 74 CG1 -0.0008 -0.0017 0.0014 3771 VAL 74 CG2 -0.0011 -0.0006 0.0001 3772 THR 75 N 0.0003 -0.0015 -0.0011 3773 THR 75 CA 0.0005 -0.0012 -0.0019 3774 THR 75 C 0.0009 -0.0012 -0.0026 3775 THR 75 O 0.0013 -0.0018 -0.0025 3776 THR 75 CB 0.0009 -0.0016 -0.0019 3777 THR 75 OG1 0.0005 -0.0016 -0.0012 3778 THR 75 CG2 0.0010 -0.0013 -0.0027 3779 ALA 76 N 0.0007 -0.0006 -0.0033 3780 ALA 76 CA 0.0011 -0.0006 -0.0041 3781 ALA 76 C 0.0011 -0.0007 -0.0040 3782 ALA 76 O 0.0016 -0.0011 -0.0043 3783 ALA 76 CB 0.0018 -0.0011 -0.0046 3784 VAL 77 N 0.0030 -0.0038 -0.0037 3785 VAL 77 CA 0.0024 -0.0036 -0.0032 3786 VAL 77 C 0.0022 -0.0024 -0.0034 3787 VAL 77 O 0.0020 -0.0017 -0.0034 3788 VAL 77 CB 0.0015 -0.0040 -0.0023 3789 VAL 77 CG1 0.0009 -0.0039 -0.0018 3790 VAL 77 CG2 0.0017 -0.0052 -0.0021 3791 ALA 78 N 0.0023 -0.0022 -0.0035 3792 ALA 78 CA 0.0023 -0.0011 -0.0038 3793 ALA 78 C 0.0019 -0.0010 -0.0035 3794 ALA 78 O 0.0023 -0.0013 -0.0038 3795 ALA 78 CB 0.0032 -0.0007 -0.0047 3796 GLN 79 N 0.0011 -0.0004 -0.0030 3797 GLN 79 CA 0.0007 -0.0003 -0.0026 3798 GLN 79 C 0.0005 0.0010 -0.0028 3799 GLN 79 O 0.0005 0.0017 -0.0031 3800 GLN 79 CB -0.0002 -0.0007 -0.0018 3801 GLN 79 CG -0.0009 -0.0001 -0.0013 3802 GLN 79 CD -0.0018 -0.0006 -0.0005 3803 GLN 79 OE1 -0.0018 -0.0014 -0.0002 3804 GLN 79 NE2 -0.0024 -0.0001 -0.0000 3805 LYS 80 N 0.0003 0.0012 -0.0028 3806 LYS 80 CA -0.0000 0.0023 -0.0028 3807 LYS 80 C -0.0008 0.0023 -0.0021 3808 LYS 80 O -0.0008 0.0014 -0.0018 3809 LYS 80 CB 0.0006 0.0029 -0.0035 3810 LYS 80 CG 0.0003 0.0041 -0.0036 3811 LYS 80 CD 0.0010 0.0047 -0.0043 3812 LYS 80 CE 0.0006 0.0059 -0.0043 3813 LYS 80 NZ 0.0011 0.0065 -0.0050 3814 THR 81 N -0.0051 0.0079 -0.0029 3815 THR 81 CA -0.0087 0.0088 -0.0022 3816 THR 81 C -0.0099 0.0132 -0.0028 3817 THR 81 O -0.0105 0.0147 -0.0029 3818 THR 81 CB -0.0120 0.0062 -0.0008 3819 THR 81 OG1 -0.0108 0.0021 -0.0002 3820 THR 81 CG2 -0.0157 0.0071 -0.0000 3821 VAL 82 N -0.0103 0.0153 -0.0031 3822 VAL 82 CA -0.0120 0.0194 -0.0035 3823 VAL 82 C -0.0163 0.0192 -0.0024 3824 VAL 82 O -0.0169 0.0178 -0.0019 3825 VAL 82 CB -0.0096 0.0222 -0.0047 3826 VAL 82 CG1 -0.0117 0.0263 -0.0050 3827 VAL 82 CG2 -0.0055 0.0225 -0.0058 3828 GLU 83 N -0.0191 0.0207 -0.0020 3829 GLU 83 CA -0.0234 0.0209 -0.0009 3830 GLU 83 C -0.0249 0.0167 0.0003 3831 GLU 83 O -0.0262 0.0159 0.0008 3832 GLU 83 CB -0.0244 0.0239 -0.0013 3833 GLU 83 CG -0.0236 0.0282 -0.0024 3834 GLU 83 CD -0.0247 0.0311 -0.0027 3835 GLU 83 OE1 -0.0258 0.0298 -0.0022 3836 GLU 83 OE2 -0.0245 0.0348 -0.0035 3837 GLY 84 N -0.0248 0.0142 0.0008 3838 GLY 84 CA -0.0264 0.0102 0.0020 3839 GLY 84 C -0.0258 0.0079 0.0023 3840 GLY 84 O -0.0238 0.0093 0.0015 3841 ALA 85 N -0.0181 0.0102 0.0036 3842 ALA 85 CA -0.0178 0.0086 0.0036 3843 ALA 85 C -0.0163 0.0064 0.0035 3844 ALA 85 O -0.0167 0.0054 0.0036 3845 ALA 85 CB -0.0202 0.0077 0.0041 3846 GLY 86 N -0.0147 0.0057 0.0032 3847 GLY 86 CA -0.0132 0.0037 0.0030 3848 GLY 86 C -0.0130 0.0018 0.0031 3849 GLY 86 O -0.0119 0.0023 0.0029 3850 SER 87 N -0.0140 -0.0003 0.0033 3851 SER 87 CA -0.0138 -0.0022 0.0034 3852 SER 87 C -0.0122 -0.0041 0.0031 3853 SER 87 O -0.0129 -0.0054 0.0033 3854 SER 87 CB -0.0163 -0.0033 0.0038 3855 SER 87 OG -0.0177 -0.0016 0.0040 3856 ILE 88 N -0.0101 -0.0043 0.0028 3857 ILE 88 CA -0.0083 -0.0057 0.0025 3858 ILE 88 C -0.0088 -0.0084 0.0027 3859 ILE 88 O -0.0091 -0.0096 0.0028 3860 ILE 88 CB -0.0059 -0.0050 0.0021 3861 ILE 88 CG1 -0.0053 -0.0026 0.0019 3862 ILE 88 CG2 -0.0040 -0.0068 0.0018 3863 ILE 88 CD1 -0.0031 -0.0015 0.0015 3864 ALA 89 N -0.0083 -0.0024 0.0038 3865 ALA 89 CA -0.0081 -0.0014 0.0037 3866 ALA 89 C -0.0070 -0.0012 0.0038 3867 ALA 89 O -0.0069 -0.0009 0.0037 3868 ALA 89 CB -0.0088 -0.0007 0.0036 3869 ALA 90 N -0.0063 -0.0014 0.0038 3870 ALA 90 CA -0.0052 -0.0013 0.0039 3871 ALA 90 C -0.0048 -0.0004 0.0039 3872 ALA 90 O -0.0051 -0.0001 0.0038 3873 ALA 90 CB -0.0046 -0.0022 0.0041 3874 ALA 91 N -0.0040 0.0001 0.0039 3875 ALA 91 CA -0.0036 0.0010 0.0038 3876 ALA 91 C -0.0025 0.0010 0.0039 3877 ALA 91 O -0.0023 0.0011 0.0039 3878 ALA 91 CB -0.0042 0.0019 0.0037 3879 THR 92 N -0.0018 0.0011 0.0040 3880 THR 92 CA -0.0007 0.0011 0.0041 3881 THR 92 C -0.0003 0.0021 0.0040 3882 THR 92 O -0.0006 0.0023 0.0039 3883 THR 92 CB -0.0001 0.0002 0.0042 3884 THR 92 OG1 -0.0001 0.0002 0.0042 3885 THR 92 CG2 -0.0006 -0.0007 0.0043 3886 GLY 93 N 0.0025 0.0033 0.0045 3887 GLY 93 CA 0.0029 0.0037 0.0050 3888 GLY 93 C 0.0034 0.0035 0.0050 3889 GLY 93 O 0.0039 0.0036 0.0052 3890 PHE 94 N 0.0035 0.0033 0.0047 3891 PHE 94 CA 0.0040 0.0031 0.0047 3892 PHE 94 C 0.0040 0.0027 0.0042 3893 PHE 94 O 0.0035 0.0026 0.0040 3894 PHE 94 CB 0.0040 0.0034 0.0049 3895 PHE 94 CG 0.0041 0.0038 0.0054 3896 PHE 94 CD1 0.0046 0.0039 0.0056 3897 PHE 94 CD2 0.0036 0.0041 0.0056 3898 PHE 94 CE1 0.0047 0.0042 0.0061 3899 PHE 94 CE2 0.0037 0.0045 0.0061 3900 PHE 94 CZ 0.0043 0.0045 0.0063 3901 VAL 95 N 0.0044 0.0025 0.0041 3902 VAL 95 CA 0.0045 0.0021 0.0036 3903 VAL 95 C 0.0051 0.0020 0.0037 3904 VAL 95 O 0.0055 0.0020 0.0039 3905 VAL 95 CB 0.0046 0.0018 0.0033 3906 VAL 95 CG1 0.0047 0.0014 0.0029 3907 VAL 95 CG2 0.0040 0.0018 0.0032 3908 LYS 96 N 0.0051 0.0019 0.0036 3909 LYS 96 CA 0.0056 0.0019 0.0037 3910 LYS 96 C 0.0057 0.0014 0.0032 3911 LYS 96 O 0.0053 0.0012 0.0029 3912 LYS 96 CB 0.0055 0.0022 0.0040 3913 LYS 96 CG 0.0055 0.0026 0.0044 3914 LYS 96 CD 0.0061 0.0026 0.0046 3915 LYS 96 CE 0.0060 0.0031 0.0051 3916 LYS 96 NZ 0.0059 0.0034 0.0054 3917 LYS 97 N 0.0058 0.0070 0.0008 3918 LYS 97 CA 0.0057 0.0072 0.0004 3919 LYS 97 C 0.0054 0.0072 -0.0001 3920 LYS 97 O 0.0054 0.0072 -0.0001 3921 LYS 97 CB 0.0060 0.0078 0.0004 3922 LYS 97 CG 0.0059 0.0081 0.0000 3923 LYS 97 CD 0.0059 0.0079 0.0001 3924 LYS 97 CE 0.0058 0.0081 -0.0003 3925 LYS 97 NZ 0.0061 0.0087 -0.0003 3926 ASP 98 N 0.0052 0.0072 -0.0005 3927 ASP 98 CA 0.0050 0.0072 -0.0010 3928 ASP 98 C 0.0050 0.0075 -0.0013 3929 ASP 98 O 0.0052 0.0077 -0.0012 3930 ASP 98 CB 0.0047 0.0067 -0.0011 3931 ASP 98 CG 0.0045 0.0066 -0.0015 3932 ASP 98 OD1 0.0045 0.0070 -0.0018 3933 ASP 98 OD2 0.0042 0.0062 -0.0016 3934 GLN 99 N 0.0048 0.0075 -0.0018 3935 GLN 99 CA 0.0047 0.0078 -0.0022 3936 GLN 99 C 0.0046 0.0076 -0.0022 3937 GLN 99 O 0.0047 0.0078 -0.0022 3938 GLN 99 CB 0.0045 0.0079 -0.0027 3939 GLN 99 CG 0.0045 0.0082 -0.0031 3940 GLN 99 CD 0.0042 0.0082 -0.0036 3941 GLN 99 OE1 0.0041 0.0080 -0.0036 3942 GLN 99 NE2 0.0042 0.0085 -0.0040 3943 VAL 37 N 0.0143 0.0055 -0.0005 3944 VAL 37 CA 0.0157 0.0023 0.0007 3945 VAL 37 C 0.0108 -0.0002 0.0006 3946 VAL 37 O 0.0104 -0.0019 0.0010 3947 VAL 37 CB 0.0186 0.0051 0.0005 3948 VAL 37 CG1 0.0239 0.0063 0.0011 3949 VAL 37 CG2 0.0163 0.0100 -0.0014 3950 LEU 38 N 0.0072 -0.0006 0.0000 3951 LEU 38 CA 0.0023 -0.0029 -0.0002 3952 LEU 38 C 0.0026 -0.0084 0.0015 3953 LEU 38 O 0.0006 -0.0105 0.0018 3954 LEU 38 CB -0.0015 -0.0018 -0.0012 3955 LEU 38 CG -0.0046 0.0027 -0.0032 3956 LEU 38 CD1 -0.0085 0.0024 -0.0038 3957 LEU 38 CD2 -0.0014 0.0075 -0.0040 3958 TYR 39 N 0.0050 -0.0108 0.0027 3959 TYR 39 CA 0.0059 -0.0160 0.0044 3960 TYR 39 C 0.0011 -0.0192 0.0045 3961 TYR 39 O 0.0001 -0.0218 0.0051 3962 TYR 39 CB 0.0095 -0.0173 0.0055 3963 TYR 39 CG 0.0149 -0.0153 0.0059 3964 TYR 39 CD1 0.0182 -0.0176 0.0072 3965 TYR 39 CD2 0.0166 -0.0111 0.0050 3966 TYR 39 CE1 0.0230 -0.0158 0.0076 3967 TYR 39 CE2 0.0215 -0.0093 0.0053 3968 TYR 39 CZ 0.0247 -0.0116 0.0066 3969 TYR 39 OH 0.0295 -0.0098 0.0070 3970 VAL 40 N -0.0020 -0.0189 0.0038 3971 VAL 40 CA -0.0067 -0.0219 0.0038 3972 VAL 40 C -0.0057 -0.0272 0.0056 3973 VAL 40 O -0.0080 -0.0305 0.0062 3974 VAL 40 CB -0.0102 -0.0197 0.0025 3975 VAL 40 CG1 -0.0151 -0.0228 0.0025 3976 VAL 40 CG2 -0.0113 -0.0145 0.0007 3977 GLY 41 N 0.0082 -0.0305 0.0064 3978 GLY 41 CA 0.0077 -0.0286 0.0058 3979 GLY 41 C 0.0057 -0.0282 0.0062 3980 GLY 41 O 0.0047 -0.0270 0.0061 3981 SER 42 N 0.0051 -0.0293 0.0068 3982 SER 42 CA 0.0031 -0.0293 0.0074 3983 SER 42 C 0.0023 -0.0275 0.0069 3984 SER 42 O 0.0007 -0.0268 0.0071 3985 SER 42 CB 0.0029 -0.0307 0.0080 3986 SER 42 OG 0.0010 -0.0307 0.0086 3987 LYS 43 N 0.0033 -0.0266 0.0063 3988 LYS 43 CA 0.0028 -0.0247 0.0057 3989 LYS 43 C 0.0045 -0.0240 0.0049 3990 LYS 43 O 0.0053 -0.0246 0.0049 3991 LYS 43 CB 0.0013 -0.0244 0.0060 3992 LYS 43 CG 0.0006 -0.0225 0.0054 3993 LYS 43 CD -0.0010 -0.0222 0.0058 3994 LYS 43 CE -0.0017 -0.0203 0.0053 3995 LYS 43 NZ -0.0004 -0.0191 0.0044 3996 THR 44 N 0.0051 -0.0226 0.0042 3997 THR 44 CA 0.0066 -0.0217 0.0034 3998 THR 44 C 0.0059 -0.0197 0.0028 3999 THR 44 O 0.0047 -0.0191 0.0029 4000 THR 44 CB 0.0083 -0.0219 0.0030 4001 THR 44 OG1 0.0079 -0.0212 0.0028 4002 THR 44 CG2 0.0090 -0.0239 0.0036 4003 LYS 45 N 0.0060 -0.0062 -0.0014 4004 LYS 45 CA 0.0057 -0.0052 -0.0021 4005 LYS 45 C 0.0068 -0.0047 -0.0026 4006 LYS 45 O 0.0072 -0.0046 -0.0027 4007 LYS 45 CB 0.0048 -0.0049 -0.0021 4008 LYS 45 CG 0.0043 -0.0039 -0.0028 4009 LYS 45 CD 0.0034 -0.0037 -0.0028 4010 LYS 45 CE 0.0029 -0.0027 -0.0035 4011 LYS 45 NZ 0.0019 -0.0025 -0.0035 4012 GLU 46 N 0.0073 -0.0044 -0.0029 4013 GLU 46 CA 0.0085 -0.0042 -0.0032 4014 GLU 46 C 0.0086 -0.0033 -0.0038 4015 GLU 46 O 0.0084 -0.0033 -0.0038 4016 GLU 46 CB 0.0093 -0.0050 -0.0027 4017 GLU 46 CG 0.0090 -0.0055 -0.0023 4018 GLU 46 CD 0.0097 -0.0065 -0.0017 4019 GLU 46 OE1 0.0104 -0.0067 -0.0017 4020 GLU 46 OE2 0.0095 -0.0069 -0.0014 4021 GLY 47 N 0.0090 -0.0026 -0.0044 4022 GLY 47 CA 0.0091 -0.0017 -0.0051 4023 GLY 47 C 0.0080 -0.0010 -0.0054 4024 GLY 47 O 0.0077 -0.0006 -0.0057 4025 VAL 48 N 0.0074 -0.0010 -0.0053 4026 VAL 48 CA 0.0063 -0.0006 -0.0055 4027 VAL 48 C 0.0062 0.0003 -0.0060 4028 VAL 48 O 0.0068 0.0002 -0.0061 4029 VAL 48 CB 0.0054 -0.0013 -0.0048 4030 VAL 48 CG1 0.0042 -0.0008 -0.0050 4031 VAL 48 CG2 0.0054 -0.0021 -0.0043 4032 VAL 49 N 0.0053 -0.0001 -0.0070 4033 VAL 49 CA 0.0052 -0.0002 -0.0068 4034 VAL 49 C 0.0057 -0.0004 -0.0070 4035 VAL 49 O 0.0061 -0.0007 -0.0070 4036 VAL 49 CB 0.0052 -0.0004 -0.0061 4037 VAL 49 CG1 0.0052 -0.0005 -0.0059 4038 VAL 49 CG2 0.0047 -0.0002 -0.0059 4039 HIS 50 N 0.0056 -0.0002 -0.0072 4040 HIS 50 CA 0.0060 -0.0004 -0.0074 4041 HIS 50 C 0.0059 -0.0004 -0.0073 4042 HIS 50 O 0.0055 -0.0001 -0.0074 4043 HIS 50 CB 0.0062 -0.0004 -0.0080 4044 HIS 50 CG 0.0059 -0.0000 -0.0084 4045 HIS 50 ND1 0.0060 0.0001 -0.0086 4046 HIS 50 CD2 0.0056 0.0003 -0.0086 4047 HIS 50 CE1 0.0057 0.0004 -0.0090 4048 HIS 50 NE2 0.0055 0.0005 -0.0090 4049 GLY 51 N 0.0062 -0.0007 -0.0071 4050 GLY 51 CA 0.0061 -0.0007 -0.0071 4051 GLY 51 C 0.0058 -0.0007 -0.0065 4052 GLY 51 O 0.0054 -0.0004 -0.0065 4053 VAL 52 N 0.0059 -0.0009 -0.0061 4054 VAL 52 CA 0.0057 -0.0010 -0.0055 4055 VAL 52 C 0.0059 -0.0013 -0.0052 4056 VAL 52 O 0.0064 -0.0016 -0.0052 4057 VAL 52 CB 0.0055 -0.0010 -0.0052 4058 VAL 52 CG1 0.0052 -0.0010 -0.0047 4059 VAL 52 CG2 0.0052 -0.0007 -0.0055 4060 ALA 53 N 0.0059 -0.0025 -0.0037 4061 ALA 53 CA 0.0061 -0.0021 -0.0026 4062 ALA 53 C 0.0058 -0.0020 -0.0019 4063 ALA 53 O 0.0050 -0.0022 -0.0021 4064 ALA 53 CB 0.0055 -0.0021 -0.0021 4065 THR 54 N 0.0065 -0.0017 -0.0012 4066 THR 54 CA 0.0064 -0.0015 -0.0006 4067 THR 54 C 0.0068 -0.0011 0.0006 4068 THR 54 O 0.0077 -0.0009 0.0007 4069 THR 54 CB 0.0070 -0.0015 -0.0011 4070 THR 54 OG1 0.0066 -0.0019 -0.0021 4071 THR 54 CG2 0.0069 -0.0014 -0.0005 4072 VAL 55 N 0.0061 -0.0010 0.0014 4073 VAL 55 CA 0.0064 -0.0006 0.0025 4074 VAL 55 C 0.0062 -0.0005 0.0030 4075 VAL 55 O 0.0053 -0.0007 0.0029 4076 VAL 55 CB 0.0058 -0.0005 0.0031 4077 VAL 55 CG1 0.0060 -0.0001 0.0043 4078 VAL 55 CG2 0.0060 -0.0006 0.0026 4079 ALA 56 N 0.0070 -0.0002 0.0035 4080 ALA 56 CA 0.0069 -0.0000 0.0040 4081 ALA 56 C 0.0073 0.0004 0.0052 4082 ALA 56 O 0.0083 0.0006 0.0053 4083 ALA 56 CB 0.0076 -0.0001 0.0034 4084 GLU 57 N 0.0063 0.0015 0.0062 4085 GLU 57 CA 0.0063 0.0010 0.0060 4086 GLU 57 C 0.0059 0.0004 0.0052 4087 GLU 57 O 0.0061 -0.0003 0.0050 4088 GLU 57 CB 0.0071 0.0005 0.0065 4089 GLU 57 CG 0.0075 0.0011 0.0072 4090 GLU 57 CD 0.0082 0.0005 0.0077 4091 GLU 57 OE1 0.0084 -0.0003 0.0075 4092 GLU 57 OE2 0.0086 0.0009 0.0083 4093 LYS 58 N 0.0052 0.0006 0.0046 4094 LYS 58 CA 0.0047 0.0002 0.0038 4095 LYS 58 C 0.0044 -0.0001 0.0034 4096 LYS 58 O 0.0040 0.0005 0.0033 4097 LYS 58 CB 0.0041 0.0008 0.0035 4098 LYS 58 CG 0.0043 0.0009 0.0038 4099 LYS 58 CD 0.0036 0.0015 0.0034 4100 LYS 58 CE 0.0038 0.0017 0.0037 4101 LYS 58 NZ 0.0032 0.0022 0.0034 4102 THR 59 N 0.0047 -0.0010 0.0032 4103 THR 59 CA 0.0045 -0.0013 0.0028 4104 THR 59 C 0.0037 -0.0012 0.0020 4105 THR 59 O 0.0033 -0.0010 0.0017 4106 THR 59 CB 0.0050 -0.0023 0.0028 4107 THR 59 OG1 0.0057 -0.0024 0.0035 4108 THR 59 CG2 0.0049 -0.0027 0.0025 4109 LYS 60 N 0.0034 -0.0014 0.0016 4110 LYS 60 CA 0.0026 -0.0012 0.0009 4111 LYS 60 C 0.0023 -0.0009 0.0007 4112 LYS 60 O 0.0025 -0.0014 0.0007 4113 LYS 60 CB 0.0025 -0.0021 0.0002 4114 LYS 60 CG 0.0017 -0.0020 -0.0005 4115 LYS 60 CD 0.0016 -0.0028 -0.0011 4116 LYS 60 CE 0.0008 -0.0027 -0.0019 4117 LYS 60 NZ 0.0006 -0.0035 -0.0024 4118 GLU 61 N -0.0003 0.0025 -0.0001 4119 GLU 61 CA -0.0005 0.0026 -0.0001 4120 GLU 61 C -0.0014 0.0031 -0.0013 4121 GLU 61 O -0.0022 0.0040 -0.0013 4122 GLU 61 CB -0.0005 0.0035 0.0011 4123 GLU 61 CG -0.0007 0.0037 0.0011 4124 GLU 61 CD -0.0007 0.0045 0.0024 4125 GLU 61 OE1 -0.0005 0.0049 0.0033 4126 GLU 61 OE2 -0.0008 0.0047 0.0025 4127 GLN 62 N -0.0014 0.0024 -0.0022 4128 GLN 62 CA -0.0022 0.0026 -0.0034 4129 GLN 62 C -0.0023 0.0026 -0.0036 4130 GLN 62 O -0.0016 0.0017 -0.0037 4131 GLN 62 CB -0.0021 0.0018 -0.0045 4132 GLN 62 CG -0.0030 0.0020 -0.0058 4133 GLN 62 CD -0.0029 0.0012 -0.0069 4134 GLN 62 OE1 -0.0021 0.0004 -0.0067 4135 GLN 62 NE2 -0.0036 0.0014 -0.0081 4136 VAL 63 N -0.0031 0.0036 -0.0037 4137 VAL 63 CA -0.0033 0.0037 -0.0039 4138 VAL 63 C -0.0042 0.0041 -0.0050 4139 VAL 63 O -0.0050 0.0052 -0.0049 4140 VAL 63 CB -0.0032 0.0044 -0.0027 4141 VAL 63 CG1 -0.0035 0.0045 -0.0030 4142 VAL 63 CG2 -0.0023 0.0040 -0.0015 4143 THR 64 N -0.0042 0.0034 -0.0062 4144 THR 64 CA -0.0051 0.0037 -0.0074 4145 THR 64 C -0.0051 0.0033 -0.0080 4146 THR 64 O -0.0046 0.0023 -0.0085 4147 THR 64 CB -0.0052 0.0032 -0.0083 4148 THR 64 OG1 -0.0045 0.0020 -0.0088 4149 THR 64 CG2 -0.0050 0.0034 -0.0077 4150 ASN 65 N -0.0040 0.0065 -0.0078 4151 ASN 65 CA -0.0025 0.0061 -0.0075 4152 ASN 65 C -0.0029 0.0064 -0.0082 4153 ASN 65 O -0.0044 0.0068 -0.0086 4154 ASN 65 CB -0.0020 0.0053 -0.0056 4155 ASN 65 CG -0.0033 0.0051 -0.0042 4156 ASN 65 OD1 -0.0044 0.0055 -0.0046 4157 ASN 65 ND2 -0.0032 0.0046 -0.0026 4158 VAL 66 N -0.0015 0.0062 -0.0085 4159 VAL 66 CA -0.0018 0.0064 -0.0088 4160 VAL 66 C -0.0007 0.0057 -0.0075 4161 VAL 66 O 0.0007 0.0052 -0.0070 4162 VAL 66 CB -0.0012 0.0069 -0.0108 4163 VAL 66 CG1 -0.0019 0.0075 -0.0122 4164 VAL 66 CG2 0.0008 0.0066 -0.0111 4165 GLY 67 N -0.0016 0.0056 -0.0068 4166 GLY 67 CA -0.0008 0.0050 -0.0055 4167 GLY 67 C -0.0004 0.0043 -0.0037 4168 GLY 67 O 0.0003 0.0038 -0.0026 4169 GLY 68 N -0.0008 0.0043 -0.0034 4170 GLY 68 CA -0.0002 0.0037 -0.0019 4171 GLY 68 C -0.0018 0.0037 -0.0009 4172 GLY 68 O -0.0033 0.0042 -0.0015 4173 ALA 69 N -0.0031 0.0018 0.0007 4174 ALA 69 CA -0.0033 0.0019 0.0011 4175 ALA 69 C -0.0030 0.0018 0.0014 4176 ALA 69 O -0.0027 0.0016 0.0016 4177 ALA 69 CB -0.0034 0.0020 0.0015 4178 VAL 70 N -0.0032 0.0019 0.0014 4179 VAL 70 CA -0.0030 0.0017 0.0015 4180 VAL 70 C -0.0032 0.0019 0.0020 4181 VAL 70 O -0.0036 0.0021 0.0020 4182 VAL 70 CB -0.0029 0.0017 0.0011 4183 VAL 70 CG1 -0.0027 0.0016 0.0013 4184 VAL 70 CG2 -0.0026 0.0016 0.0007 4185 VAL 71 N -0.0029 0.0017 0.0024 4186 VAL 71 CA -0.0031 0.0018 0.0029 4187 VAL 71 C -0.0029 0.0017 0.0029 4188 VAL 71 O -0.0025 0.0015 0.0029 4189 VAL 71 CB -0.0030 0.0017 0.0033 4190 VAL 71 CG1 -0.0031 0.0018 0.0038 4191 VAL 71 CG2 -0.0033 0.0019 0.0033 4192 THR 72 N -0.0032 0.0018 0.0029 4193 THR 72 CA -0.0030 0.0017 0.0029 4194 THR 72 C -0.0032 0.0018 0.0034 4195 THR 72 O -0.0036 0.0020 0.0034 4196 THR 72 CB -0.0031 0.0018 0.0024 4197 THR 72 OG1 -0.0036 0.0021 0.0024 4198 THR 72 CG2 -0.0030 0.0017 0.0019 4199 GLY 73 N -0.0008 -0.0010 0.0035 4200 GLY 73 CA -0.0004 -0.0011 0.0026 4201 GLY 73 C 0.0000 -0.0014 0.0019 4202 GLY 73 O 0.0006 -0.0020 0.0016 4203 VAL 74 N -0.0002 -0.0010 0.0016 4204 VAL 74 CA 0.0002 -0.0013 0.0008 4205 VAL 74 C 0.0002 -0.0009 -0.0001 4206 VAL 74 O -0.0003 -0.0002 -0.0002 4207 VAL 74 CB 0.0001 -0.0011 0.0009 4208 VAL 74 CG1 0.0000 -0.0014 0.0020 4209 VAL 74 CG2 -0.0004 -0.0003 0.0006 4210 THR 75 N 0.0007 -0.0012 -0.0009 4211 THR 75 CA 0.0007 -0.0009 -0.0018 4212 THR 75 C 0.0011 -0.0011 -0.0026 4213 THR 75 O 0.0015 -0.0017 -0.0025 4214 THR 75 CB 0.0010 -0.0013 -0.0019 4215 THR 75 OG1 0.0007 -0.0011 -0.0011 4216 THR 75 CG2 0.0010 -0.0009 -0.0028 4217 ALA 76 N 0.0008 -0.0005 -0.0033 4218 ALA 76 CA 0.0012 -0.0006 -0.0042 4219 ALA 76 C 0.0013 -0.0009 -0.0040 4220 ALA 76 O 0.0018 -0.0014 -0.0043 4221 ALA 76 CB 0.0017 -0.0012 -0.0047 4222 VAL 77 N 0.0034 -0.0044 -0.0038 4223 VAL 77 CA 0.0030 -0.0044 -0.0032 4224 VAL 77 C 0.0028 -0.0033 -0.0036 4225 VAL 77 O 0.0024 -0.0024 -0.0036 4226 VAL 77 CB 0.0023 -0.0047 -0.0021 4227 VAL 77 CG1 0.0019 -0.0047 -0.0015 4228 VAL 77 CG2 0.0025 -0.0058 -0.0017 4229 ALA 78 N 0.0030 -0.0033 -0.0038 4230 ALA 78 CA 0.0029 -0.0023 -0.0043 4231 ALA 78 C 0.0027 -0.0024 -0.0040 4232 ALA 78 O 0.0033 -0.0029 -0.0044 4233 ALA 78 CB 0.0036 -0.0020 -0.0054 4234 GLN 79 N 0.0019 -0.0019 -0.0034 4235 GLN 79 CA 0.0017 -0.0019 -0.0031 4236 GLN 79 C 0.0015 -0.0007 -0.0034 4237 GLN 79 O 0.0013 0.0001 -0.0037 4238 GLN 79 CB 0.0011 -0.0023 -0.0019 4239 GLN 79 CG 0.0002 -0.0015 -0.0014 4240 GLN 79 CD -0.0004 -0.0020 -0.0003 4241 GLN 79 OE1 -0.0002 -0.0029 0.0001 4242 GLN 79 NE2 -0.0011 -0.0014 0.0003 4243 LYS 80 N 0.0014 -0.0007 -0.0034 4244 LYS 80 CA 0.0010 0.0003 -0.0036 4245 LYS 80 C 0.0005 0.0001 -0.0027 4246 LYS 80 O 0.0007 -0.0008 -0.0024 4247 LYS 80 CB 0.0017 0.0007 -0.0046 4248 LYS 80 CG 0.0013 0.0019 -0.0048 4249 LYS 80 CD 0.0018 0.0023 -0.0058 4250 LYS 80 CE 0.0013 0.0035 -0.0059 4251 LYS 80 NZ 0.0018 0.0039 -0.0068 4252 THR 81 N -0.0034 0.0048 -0.0034 4253 THR 81 CA -0.0065 0.0053 -0.0023 4254 THR 81 C -0.0076 0.0093 -0.0030 4255 THR 81 O -0.0083 0.0110 -0.0032 4256 THR 81 CB -0.0093 0.0032 -0.0007 4257 THR 81 OG1 -0.0082 -0.0005 -0.0001 4258 THR 81 CG2 -0.0124 0.0038 0.0004 4259 VAL 82 N -0.0078 0.0107 -0.0033 4260 VAL 82 CA -0.0094 0.0144 -0.0037 4261 VAL 82 C -0.0130 0.0141 -0.0022 4262 VAL 82 O -0.0133 0.0124 -0.0016 4263 VAL 82 CB -0.0072 0.0164 -0.0051 4264 VAL 82 CG1 -0.0091 0.0200 -0.0053 4265 VAL 82 CG2 -0.0038 0.0169 -0.0066 4266 GLU 83 N -0.0156 0.0156 -0.0016 4267 GLU 83 CA -0.0192 0.0158 -0.0002 4268 GLU 83 C -0.0204 0.0120 0.0013 4269 GLU 83 O -0.0213 0.0109 0.0020 4270 GLU 83 CB -0.0200 0.0181 -0.0005 4271 GLU 83 CG -0.0194 0.0220 -0.0018 4272 GLU 83 CD -0.0203 0.0242 -0.0021 4273 GLU 83 OE1 -0.0211 0.0226 -0.0013 4274 GLU 83 OE2 -0.0202 0.0275 -0.0030 4275 GLY 84 N -0.0204 0.0101 0.0018 4276 GLY 84 CA -0.0217 0.0067 0.0033 4277 GLY 84 C -0.0213 0.0050 0.0035 4278 GLY 84 O -0.0198 0.0065 0.0025 4279 ALA 85 N -0.0150 0.0066 0.0048 4280 ALA 85 CA -0.0148 0.0054 0.0048 4281 ALA 85 C -0.0136 0.0036 0.0046 4282 ALA 85 O -0.0139 0.0027 0.0047 4283 ALA 85 CB -0.0167 0.0048 0.0054 4284 GLY 86 N -0.0123 0.0032 0.0043 4285 GLY 86 CA -0.0111 0.0015 0.0041 4286 GLY 86 C -0.0109 0.0001 0.0041 4287 GLY 86 O -0.0101 0.0006 0.0039 4288 SER 87 N -0.0117 -0.0016 0.0044 4289 SER 87 CA -0.0116 -0.0031 0.0045 4290 SER 87 C -0.0102 -0.0047 0.0042 4291 SER 87 O -0.0107 -0.0058 0.0044 4292 SER 87 CB -0.0135 -0.0039 0.0050 4293 SER 87 OG -0.0147 -0.0025 0.0053 4294 ILE 88 N -0.0085 -0.0048 0.0038 4295 ILE 88 CA -0.0070 -0.0060 0.0035 4296 ILE 88 C -0.0074 -0.0081 0.0037 4297 ILE 88 O -0.0076 -0.0093 0.0038 4298 ILE 88 CB -0.0051 -0.0054 0.0029 4299 ILE 88 CG1 -0.0047 -0.0034 0.0027 4300 ILE 88 CG2 -0.0036 -0.0069 0.0026 4301 ILE 88 CD1 -0.0030 -0.0024 0.0022 4302 ALA 89 N -0.0073 -0.0022 0.0051 4303 ALA 89 CA -0.0072 -0.0013 0.0047 4304 ALA 89 C -0.0061 -0.0012 0.0047 4305 ALA 89 O -0.0058 -0.0009 0.0047 4306 ALA 89 CB -0.0077 -0.0008 0.0045 4307 ALA 90 N -0.0056 -0.0013 0.0048 4308 ALA 90 CA -0.0046 -0.0012 0.0048 4309 ALA 90 C -0.0043 -0.0004 0.0045 4310 ALA 90 O -0.0048 -0.0001 0.0044 4311 ALA 90 CB -0.0042 -0.0020 0.0051 4312 ALA 91 N -0.0036 -0.0000 0.0045 4313 ALA 91 CA -0.0032 0.0008 0.0042 4314 ALA 91 C -0.0022 0.0008 0.0042 4315 ALA 91 O -0.0018 0.0008 0.0042 4316 ALA 91 CB -0.0037 0.0015 0.0039 4317 THR 92 N -0.0017 0.0009 0.0042 4318 THR 92 CA -0.0007 0.0009 0.0042 4319 THR 92 C -0.0004 0.0017 0.0040 4320 THR 92 O -0.0009 0.0020 0.0038 4321 THR 92 CB -0.0003 0.0002 0.0045 4322 THR 92 OG1 -0.0005 0.0002 0.0045 4323 THR 92 CG2 -0.0006 -0.0007 0.0048 4324 GLY 93 N 0.0028 0.0031 0.0042 4325 GLY 93 CA 0.0031 0.0037 0.0040 4326 GLY 93 C 0.0037 0.0037 0.0037 4327 GLY 93 O 0.0038 0.0042 0.0036 4328 PHE 94 N 0.0040 0.0031 0.0037 4329 PHE 94 CA 0.0046 0.0030 0.0034 4330 PHE 94 C 0.0047 0.0023 0.0035 4331 PHE 94 O 0.0045 0.0018 0.0036 4332 PHE 94 CB 0.0051 0.0031 0.0031 4333 PHE 94 CG 0.0052 0.0038 0.0030 4334 PHE 94 CD1 0.0055 0.0043 0.0028 4335 PHE 94 CD2 0.0049 0.0041 0.0031 4336 PHE 94 CE1 0.0055 0.0049 0.0027 4337 PHE 94 CE2 0.0049 0.0047 0.0030 4338 PHE 94 CZ 0.0053 0.0051 0.0028 4339 VAL 95 N 0.0049 0.0023 0.0034 4340 VAL 95 CA 0.0051 0.0016 0.0034 4341 VAL 95 C 0.0057 0.0017 0.0031 4342 VAL 95 O 0.0058 0.0021 0.0030 4343 VAL 95 CB 0.0046 0.0014 0.0036 4344 VAL 95 CG1 0.0048 0.0008 0.0036 4345 VAL 95 CG2 0.0040 0.0013 0.0039 4346 LYS 96 N 0.0061 0.0013 0.0029 4347 LYS 96 CA 0.0067 0.0013 0.0027 4348 LYS 96 C 0.0069 0.0006 0.0027 4349 LYS 96 O 0.0066 0.0001 0.0029 4350 LYS 96 CB 0.0072 0.0014 0.0024 4351 LYS 96 CG 0.0071 0.0021 0.0024 4352 LYS 96 CD 0.0073 0.0027 0.0022 4353 LYS 96 CE 0.0072 0.0034 0.0022 4354 LYS 96 NZ 0.0076 0.0035 0.0020 4355 LYS 97 N 0.0069 0.0063 0.0000 4356 LYS 97 CA 0.0066 0.0071 -0.0003 4357 LYS 97 C 0.0057 0.0070 -0.0008 4358 LYS 97 O 0.0054 0.0066 -0.0008 4359 LYS 97 CB 0.0070 0.0079 -0.0003 4360 LYS 97 CG 0.0067 0.0088 -0.0006 4361 LYS 97 CD 0.0070 0.0089 -0.0005 4362 LYS 97 CE 0.0067 0.0098 -0.0008 4363 LYS 97 NZ 0.0071 0.0105 -0.0008 4364 ASP 98 N 0.0053 0.0074 -0.0011 4365 ASP 98 CA 0.0044 0.0074 -0.0016 4366 ASP 98 C 0.0043 0.0083 -0.0019 4367 ASP 98 O 0.0048 0.0089 -0.0017 4368 ASP 98 CB 0.0040 0.0067 -0.0017 4369 ASP 98 CG 0.0031 0.0065 -0.0021 4370 ASP 98 OD1 0.0029 0.0070 -0.0023 4371 ASP 98 OD2 0.0027 0.0059 -0.0022 4372 GLN 99 N 0.0036 0.0085 -0.0023 4373 GLN 99 CA 0.0033 0.0093 -0.0027 4374 GLN 99 C 0.0034 0.0095 -0.0026 4375 GLN 99 O 0.0037 0.0101 -0.0026 4376 GLN 99 CB 0.0025 0.0094 -0.0031 4377 GLN 99 CG 0.0022 0.0102 -0.0035 4378 GLN 99 CD 0.0014 0.0102 -0.0040 4379 GLN 99 OE1 0.0010 0.0096 -0.0040 4380 GLN 99 NE2 0.0011 0.0110 -0.0043 4381 VAL 37 N 0.0186 0.0146 -0.0009 4382 VAL 37 CA 0.0201 0.0102 0.0011 4383 VAL 37 C 0.0146 0.0066 0.0001 4384 VAL 37 O 0.0141 0.0038 0.0008 4385 VAL 37 CB 0.0233 0.0130 0.0014 4386 VAL 37 CG1 0.0294 0.0150 0.0031 4387 VAL 37 CG2 0.0206 0.0182 -0.0012 4388 LEU 38 N 0.0105 0.0066 -0.0014 4389 LEU 38 CA 0.0050 0.0033 -0.0025 4390 LEU 38 C 0.0054 -0.0032 -0.0003 4391 LEU 38 O 0.0032 -0.0064 -0.0001 4392 LEU 38 CB 0.0008 0.0051 -0.0046 4393 LEU 38 CG -0.0027 0.0101 -0.0076 4394 LEU 38 CD1 -0.0072 0.0088 -0.0088 4395 LEU 38 CD2 0.0008 0.0158 -0.0080 4396 TYR 39 N 0.0083 -0.0051 0.0014 4397 TYR 39 CA 0.0094 -0.0111 0.0037 4398 TYR 39 C 0.0039 -0.0152 0.0029 4399 TYR 39 O 0.0027 -0.0190 0.0037 4400 TYR 39 CB 0.0134 -0.0131 0.0059 4401 TYR 39 CG 0.0194 -0.0103 0.0073 4402 TYR 39 CD1 0.0232 -0.0122 0.0093 4403 TYR 39 CD2 0.0213 -0.0058 0.0066 4404 TYR 39 CE1 0.0287 -0.0096 0.0106 4405 TYR 39 CE2 0.0268 -0.0032 0.0078 4406 TYR 39 CZ 0.0304 -0.0052 0.0098 4407 TYR 39 OH 0.0359 -0.0026 0.0111 4408 VAL 40 N 0.0005 -0.0143 0.0014 4409 VAL 40 CA -0.0048 -0.0181 0.0006 4410 VAL 40 C -0.0035 -0.0239 0.0029 4411 VAL 40 O -0.0061 -0.0284 0.0033 4412 VAL 40 CB -0.0087 -0.0151 -0.0019 4413 VAL 40 CG1 -0.0142 -0.0190 -0.0027 4414 VAL 40 CG2 -0.0100 -0.0094 -0.0042 4415 GLY 41 N 0.0096 -0.0268 0.0055 4416 GLY 41 CA 0.0092 -0.0255 0.0047 4417 GLY 41 C 0.0078 -0.0253 0.0051 4418 GLY 41 O 0.0069 -0.0244 0.0048 4419 SER 42 N 0.0077 -0.0261 0.0057 4420 SER 42 CA 0.0063 -0.0261 0.0063 4421 SER 42 C 0.0057 -0.0248 0.0057 4422 SER 42 O 0.0044 -0.0244 0.0059 4423 SER 42 CB 0.0065 -0.0272 0.0070 4424 SER 42 OG 0.0052 -0.0272 0.0076 4425 LYS 43 N 0.0066 -0.0243 0.0049 4426 LYS 43 CA 0.0062 -0.0231 0.0042 4427 LYS 43 C 0.0076 -0.0227 0.0033 4428 LYS 43 O 0.0084 -0.0232 0.0033 4429 LYS 43 CB 0.0053 -0.0230 0.0045 4430 LYS 43 CG 0.0048 -0.0216 0.0037 4431 LYS 43 CD 0.0038 -0.0215 0.0040 4432 LYS 43 CE 0.0032 -0.0202 0.0033 4433 LYS 43 NZ 0.0043 -0.0195 0.0024 4434 THR 44 N 0.0078 -0.0217 0.0025 4435 THR 44 CA 0.0089 -0.0211 0.0016 4436 THR 44 C 0.0083 -0.0197 0.0009 4437 THR 44 O 0.0072 -0.0192 0.0010 4438 THR 44 CB 0.0100 -0.0212 0.0013 4439 THR 44 OG1 0.0093 -0.0206 0.0011 4440 THR 44 CG2 0.0105 -0.0226 0.0020 4441 LYS 45 N 0.0077 -0.0076 -0.0033 4442 LYS 45 CA 0.0074 -0.0067 -0.0038 4443 LYS 45 C 0.0083 -0.0062 -0.0042 4444 LYS 45 O 0.0087 -0.0061 -0.0043 4445 LYS 45 CB 0.0066 -0.0064 -0.0039 4446 LYS 45 CG 0.0061 -0.0055 -0.0044 4447 LYS 45 CD 0.0052 -0.0053 -0.0044 4448 LYS 45 CE 0.0048 -0.0044 -0.0049 4449 LYS 45 NZ 0.0039 -0.0042 -0.0049 4450 GLU 46 N 0.0088 -0.0059 -0.0045 4451 GLU 46 CA 0.0099 -0.0057 -0.0047 4452 GLU 46 C 0.0100 -0.0049 -0.0053 4453 GLU 46 O 0.0099 -0.0049 -0.0052 4454 GLU 46 CB 0.0106 -0.0065 -0.0044 4455 GLU 46 CG 0.0104 -0.0069 -0.0040 4456 GLU 46 CD 0.0110 -0.0078 -0.0036 4457 GLU 46 OE1 0.0116 -0.0080 -0.0035 4458 GLU 46 OE2 0.0110 -0.0082 -0.0033 4459 GLY 47 N 0.0104 -0.0042 -0.0057 4460 GLY 47 CA 0.0105 -0.0034 -0.0062 4461 GLY 47 C 0.0095 -0.0028 -0.0065 4462 GLY 47 O 0.0093 -0.0024 -0.0067 4463 VAL 48 N 0.0089 -0.0028 -0.0064 4464 VAL 48 CA 0.0079 -0.0024 -0.0065 4465 VAL 48 C 0.0078 -0.0016 -0.0070 4466 VAL 48 O 0.0082 -0.0017 -0.0070 4467 VAL 48 CB 0.0071 -0.0031 -0.0060 4468 VAL 48 CG1 0.0061 -0.0027 -0.0061 4469 VAL 48 CG2 0.0072 -0.0038 -0.0056 4470 VAL 49 N 0.0067 -0.0007 -0.0073 4471 VAL 49 CA 0.0066 -0.0007 -0.0070 4472 VAL 49 C 0.0070 -0.0008 -0.0073 4473 VAL 49 O 0.0074 -0.0011 -0.0073 4474 VAL 49 CB 0.0066 -0.0008 -0.0063 4475 VAL 49 CG1 0.0065 -0.0008 -0.0061 4476 VAL 49 CG2 0.0061 -0.0006 -0.0061 4477 HIS 50 N 0.0068 -0.0007 -0.0075 4478 HIS 50 CA 0.0072 -0.0009 -0.0077 4479 HIS 50 C 0.0070 -0.0008 -0.0076 4480 HIS 50 O 0.0065 -0.0005 -0.0077 4481 HIS 50 CB 0.0074 -0.0009 -0.0083 4482 HIS 50 CG 0.0070 -0.0006 -0.0088 4483 HIS 50 ND1 0.0070 -0.0005 -0.0091 4484 HIS 50 CD2 0.0067 -0.0003 -0.0090 4485 HIS 50 CE1 0.0066 -0.0002 -0.0095 4486 HIS 50 NE2 0.0065 -0.0001 -0.0094 4487 GLY 51 N 0.0073 -0.0010 -0.0074 4488 GLY 51 CA 0.0071 -0.0009 -0.0073 4489 GLY 51 C 0.0068 -0.0009 -0.0067 4490 GLY 51 O 0.0064 -0.0006 -0.0067 4491 VAL 52 N 0.0070 -0.0011 -0.0062 4492 VAL 52 CA 0.0067 -0.0011 -0.0056 4493 VAL 52 C 0.0070 -0.0013 -0.0053 4494 VAL 52 O 0.0075 -0.0016 -0.0052 4495 VAL 52 CB 0.0067 -0.0011 -0.0053 4496 VAL 52 CG1 0.0064 -0.0011 -0.0047 4497 VAL 52 CG2 0.0064 -0.0008 -0.0056 4498 ALA 53 N 0.0069 -0.0026 -0.0039 4499 ALA 53 CA 0.0071 -0.0020 -0.0027 4500 ALA 53 C 0.0069 -0.0018 -0.0021 4501 ALA 53 O 0.0060 -0.0021 -0.0023 4502 ALA 53 CB 0.0063 -0.0020 -0.0021 4503 THR 54 N 0.0076 -0.0012 -0.0013 4504 THR 54 CA 0.0076 -0.0010 -0.0008 4505 THR 54 C 0.0080 -0.0003 0.0004 4506 THR 54 O 0.0089 0.0000 0.0006 4507 THR 54 CB 0.0084 -0.0010 -0.0015 4508 THR 54 OG1 0.0080 -0.0016 -0.0026 4509 THR 54 CG2 0.0084 -0.0008 -0.0009 4510 VAL 55 N 0.0073 -0.0001 0.0013 4511 VAL 55 CA 0.0075 0.0005 0.0025 4512 VAL 55 C 0.0075 0.0006 0.0029 4513 VAL 55 O 0.0065 0.0003 0.0028 4514 VAL 55 CB 0.0067 0.0006 0.0033 4515 VAL 55 CG1 0.0069 0.0012 0.0045 4516 VAL 55 CG2 0.0068 0.0004 0.0029 4517 ALA 56 N 0.0084 0.0011 0.0034 4518 ALA 56 CA 0.0084 0.0013 0.0039 4519 ALA 56 C 0.0088 0.0020 0.0051 4520 ALA 56 O 0.0099 0.0024 0.0052 4521 ALA 56 CB 0.0093 0.0013 0.0031 4522 GLU 57 N 0.0069 0.0039 0.0066 4523 GLU 57 CA 0.0069 0.0033 0.0062 4524 GLU 57 C 0.0063 0.0024 0.0052 4525 GLU 57 O 0.0067 0.0016 0.0051 4526 GLU 57 CB 0.0079 0.0026 0.0068 4527 GLU 57 CG 0.0085 0.0033 0.0078 4528 GLU 57 CD 0.0095 0.0026 0.0083 4529 GLU 57 OE1 0.0098 0.0015 0.0080 4530 GLU 57 OE2 0.0100 0.0031 0.0091 4531 LYS 58 N 0.0054 0.0027 0.0045 4532 LYS 58 CA 0.0048 0.0020 0.0036 4533 LYS 58 C 0.0044 0.0016 0.0030 4534 LYS 58 O 0.0038 0.0023 0.0028 4535 LYS 58 CB 0.0039 0.0028 0.0032 4536 LYS 58 CG 0.0042 0.0031 0.0036 4537 LYS 58 CD 0.0033 0.0039 0.0032 4538 LYS 58 CE 0.0036 0.0042 0.0037 4539 LYS 58 NZ 0.0027 0.0049 0.0032 4540 THR 59 N 0.0048 0.0005 0.0027 4541 THR 59 CA 0.0045 -0.0000 0.0022 4542 THR 59 C 0.0034 0.0000 0.0012 4543 THR 59 O 0.0029 0.0002 0.0009 4544 THR 59 CB 0.0052 -0.0013 0.0021 4545 THR 59 OG1 0.0062 -0.0013 0.0030 4546 THR 59 CG2 0.0050 -0.0018 0.0017 4547 LYS 60 N 0.0030 -0.0001 0.0007 4548 LYS 60 CA 0.0019 0.0001 -0.0002 4549 LYS 60 C 0.0015 0.0005 -0.0003 4550 LYS 60 O 0.0019 -0.0001 -0.0003 4551 LYS 60 CB 0.0018 -0.0011 -0.0010 4552 LYS 60 CG 0.0007 -0.0010 -0.0019 4553 LYS 60 CD 0.0006 -0.0021 -0.0027 4554 LYS 60 CE -0.0005 -0.0020 -0.0036 4555 LYS 60 NZ -0.0007 -0.0031 -0.0044 4556 GLU 61 N -0.0026 0.0051 -0.0009 4557 GLU 61 CA -0.0029 0.0055 -0.0008 4558 GLU 61 C -0.0043 0.0060 -0.0023 4559 GLU 61 O -0.0055 0.0072 -0.0024 4560 GLU 61 CB -0.0029 0.0067 0.0010 4561 GLU 61 CG -0.0032 0.0071 0.0012 4562 GLU 61 CD -0.0032 0.0083 0.0029 4563 GLU 61 OE1 -0.0030 0.0089 0.0041 4564 GLU 61 OE2 -0.0034 0.0087 0.0032 4565 GLN 62 N -0.0043 0.0051 -0.0035 4566 GLN 62 CA -0.0055 0.0054 -0.0052 4567 GLN 62 C -0.0057 0.0054 -0.0053 4568 GLN 62 O -0.0047 0.0043 -0.0054 4569 GLN 62 CB -0.0054 0.0041 -0.0068 4570 GLN 62 CG -0.0067 0.0044 -0.0085 4571 GLN 62 CD -0.0066 0.0031 -0.0101 4572 GLN 62 OE1 -0.0055 0.0021 -0.0099 4573 GLN 62 NE2 -0.0077 0.0033 -0.0117 4574 VAL 63 N -0.0069 0.0068 -0.0053 4575 VAL 63 CA -0.0073 0.0070 -0.0055 4576 VAL 63 C -0.0088 0.0075 -0.0070 4577 VAL 63 O -0.0099 0.0089 -0.0068 4578 VAL 63 CB -0.0073 0.0081 -0.0037 4579 VAL 63 CG1 -0.0076 0.0083 -0.0040 4580 VAL 63 CG2 -0.0058 0.0076 -0.0022 4581 THR 64 N -0.0088 0.0065 -0.0086 4582 THR 64 CA -0.0101 0.0068 -0.0102 4583 THR 64 C -0.0101 0.0064 -0.0109 4584 THR 64 O -0.0094 0.0050 -0.0117 4585 THR 64 CB -0.0103 0.0060 -0.0116 4586 THR 64 OG1 -0.0092 0.0044 -0.0124 4587 THR 64 CG2 -0.0100 0.0062 -0.0109 4588 ASN 65 N -0.0091 0.0097 -0.0111 4589 ASN 65 CA -0.0071 0.0090 -0.0109 4590 ASN 65 C -0.0077 0.0096 -0.0121 4591 ASN 65 O -0.0099 0.0104 -0.0126 4592 ASN 65 CB -0.0064 0.0079 -0.0081 4593 ASN 65 CG -0.0083 0.0079 -0.0063 4594 ASN 65 OD1 -0.0098 0.0086 -0.0069 4595 ASN 65 ND2 -0.0081 0.0071 -0.0038 4596 VAL 66 N -0.0058 0.0092 -0.0128 4597 VAL 66 CA -0.0062 0.0096 -0.0134 4598 VAL 66 C -0.0048 0.0086 -0.0117 4599 VAL 66 O -0.0028 0.0077 -0.0109 4600 VAL 66 CB -0.0055 0.0103 -0.0163 4601 VAL 66 CG1 -0.0064 0.0111 -0.0180 4602 VAL 66 CG2 -0.0027 0.0096 -0.0169 4603 GLY 67 N -0.0060 0.0087 -0.0108 4604 GLY 67 CA -0.0049 0.0078 -0.0092 4605 GLY 67 C -0.0044 0.0068 -0.0066 4606 GLY 67 O -0.0034 0.0061 -0.0052 4607 GLY 68 N -0.0049 0.0068 -0.0059 4608 GLY 68 CA -0.0040 0.0058 -0.0036 4609 GLY 68 C -0.0062 0.0059 -0.0020 4610 GLY 68 O -0.0083 0.0068 -0.0027 4611 ALA 69 N -0.0067 0.0031 -0.0002 4612 ALA 69 CA -0.0068 0.0034 0.0004 4613 ALA 69 C -0.0062 0.0032 0.0007 4614 ALA 69 O -0.0056 0.0031 0.0011 4615 ALA 69 CB -0.0071 0.0037 0.0010 4616 VAL 70 N -0.0062 0.0032 0.0007 4617 VAL 70 CA -0.0056 0.0030 0.0009 4618 VAL 70 C -0.0057 0.0033 0.0016 4619 VAL 70 O -0.0064 0.0036 0.0016 4620 VAL 70 CB -0.0054 0.0027 0.0002 4621 VAL 70 CG1 -0.0048 0.0026 0.0005 4622 VAL 70 CG2 -0.0051 0.0024 -0.0004 4623 VAL 71 N -0.0052 0.0033 0.0022 4624 VAL 71 CA -0.0053 0.0036 0.0029 4625 VAL 71 C -0.0047 0.0033 0.0029 4626 VAL 71 O -0.0040 0.0031 0.0029 4627 VAL 71 CB -0.0051 0.0038 0.0036 4628 VAL 71 CG1 -0.0051 0.0040 0.0043 4629 VAL 71 CG2 -0.0057 0.0041 0.0037 4630 THR 72 N -0.0049 0.0034 0.0028 4631 THR 72 CA -0.0044 0.0032 0.0028 4632 THR 72 C -0.0044 0.0035 0.0035 4633 THR 72 O -0.0050 0.0037 0.0036 4634 THR 72 CB -0.0046 0.0030 0.0021 4635 THR 72 OG1 -0.0053 0.0033 0.0020 4636 THR 72 CG2 -0.0045 0.0028 0.0014 4637 GLY 73 N -0.0001 -0.0000 0.0040 4638 GLY 73 CA 0.0001 -0.0001 0.0029 4639 GLY 73 C 0.0005 -0.0007 0.0021 4640 GLY 73 O 0.0010 -0.0014 0.0018 4641 VAL 74 N 0.0003 -0.0004 0.0019 4642 VAL 74 CA 0.0007 -0.0008 0.0010 4643 VAL 74 C 0.0005 -0.0004 -0.0001 4644 VAL 74 O 0.0000 0.0004 -0.0002 4645 VAL 74 CB 0.0007 -0.0008 0.0013 4646 VAL 74 CG1 0.0007 -0.0011 0.0025 4647 VAL 74 CG2 0.0001 0.0001 0.0009 4648 THR 75 N 0.0010 -0.0009 -0.0009 4649 THR 75 CA 0.0009 -0.0006 -0.0020 4650 THR 75 C 0.0012 -0.0010 -0.0029 4651 THR 75 O 0.0017 -0.0018 -0.0028 4652 THR 75 CB 0.0011 -0.0009 -0.0023 4653 THR 75 OG1 0.0008 -0.0005 -0.0014 4654 THR 75 CG2 0.0009 -0.0005 -0.0034 4655 ALA 76 N 0.0009 -0.0004 -0.0037 4656 ALA 76 CA 0.0012 -0.0007 -0.0047 4657 ALA 76 C 0.0014 -0.0011 -0.0044 4658 ALA 76 O 0.0020 -0.0018 -0.0047 4659 ALA 76 CB 0.0017 -0.0013 -0.0054 4660 VAL 77 N 0.0040 -0.0058 -0.0040 4661 VAL 77 CA 0.0038 -0.0060 -0.0034 4662 VAL 77 C 0.0035 -0.0050 -0.0040 4663 VAL 77 O 0.0029 -0.0040 -0.0041 4664 VAL 77 CB 0.0033 -0.0061 -0.0021 4665 VAL 77 CG1 0.0031 -0.0063 -0.0015 4666 VAL 77 CG2 0.0036 -0.0070 -0.0015 4667 ALA 78 N 0.0039 -0.0052 -0.0044 4668 ALA 78 CA 0.0036 -0.0044 -0.0050 4669 ALA 78 C 0.0037 -0.0047 -0.0048 4670 ALA 78 O 0.0044 -0.0054 -0.0053 4671 ALA 78 CB 0.0041 -0.0041 -0.0064 4672 GLN 79 N 0.0031 -0.0041 -0.0041 4673 GLN 79 CA 0.0031 -0.0044 -0.0039 4674 GLN 79 C 0.0027 -0.0033 -0.0044 4675 GLN 79 O 0.0023 -0.0024 -0.0048 4676 GLN 79 CB 0.0026 -0.0047 -0.0025 4677 GLN 79 CG 0.0017 -0.0038 -0.0018 4678 GLN 79 CD 0.0014 -0.0042 -0.0005 4679 GLN 79 OE1 0.0018 -0.0052 -0.0001 4680 GLN 79 NE2 0.0006 -0.0035 0.0001 4681 LYS 80 N 0.0029 -0.0035 -0.0045 4682 LYS 80 CA 0.0024 -0.0026 -0.0048 4683 LYS 80 C 0.0022 -0.0029 -0.0039 4684 LYS 80 O 0.0026 -0.0039 -0.0035 4685 LYS 80 CB 0.0029 -0.0024 -0.0061 4686 LYS 80 CG 0.0025 -0.0013 -0.0064 4687 LYS 80 CD 0.0029 -0.0012 -0.0077 4688 LYS 80 CE 0.0024 -0.0001 -0.0079 4689 LYS 80 NZ 0.0028 0.0001 -0.0091 4690 THR 81 N -0.0012 0.0006 -0.0041 4691 THR 81 CA -0.0038 0.0009 -0.0027 4692 THR 81 C -0.0050 0.0045 -0.0033 4693 THR 81 O -0.0058 0.0065 -0.0035 4694 THR 81 CB -0.0064 -0.0007 -0.0006 4695 THR 81 OG1 -0.0052 -0.0042 -0.0001 4696 THR 81 CG2 -0.0090 -0.0005 0.0008 4697 VAL 82 N -0.0050 0.0054 -0.0036 4698 VAL 82 CA -0.0065 0.0087 -0.0039 4699 VAL 82 C -0.0095 0.0083 -0.0020 4700 VAL 82 O -0.0096 0.0064 -0.0012 4701 VAL 82 CB -0.0045 0.0102 -0.0056 4702 VAL 82 CG1 -0.0062 0.0135 -0.0057 4703 VAL 82 CG2 -0.0015 0.0108 -0.0075 4704 GLU 83 N -0.0120 0.0101 -0.0011 4705 GLU 83 CA -0.0152 0.0102 0.0007 4706 GLU 83 C -0.0161 0.0067 0.0025 4707 GLU 83 O -0.0167 0.0053 0.0033 4708 GLU 83 CB -0.0157 0.0118 0.0004 4709 GLU 83 CG -0.0154 0.0155 -0.0011 4710 GLU 83 CD -0.0160 0.0171 -0.0012 4711 GLU 83 OE1 -0.0165 0.0153 -0.0003 4712 GLU 83 OE2 -0.0160 0.0202 -0.0023 4713 GLY 84 N -0.0161 0.0054 0.0030 4714 GLY 84 CA -0.0172 0.0022 0.0047 4715 GLY 84 C -0.0170 0.0013 0.0049 4716 GLY 84 O -0.0159 0.0030 0.0037 4717 ALA 85 N -0.0119 0.0019 0.0064 4718 ALA 85 CA -0.0118 0.0014 0.0064 4719 ALA 85 C -0.0109 -0.0000 0.0060 4720 ALA 85 O -0.0110 -0.0011 0.0062 4721 ALA 85 CB -0.0131 0.0011 0.0072 4722 GLY 86 N -0.0100 -0.0001 0.0055 4723 GLY 86 CA -0.0091 -0.0015 0.0051 4724 GLY 86 C -0.0090 -0.0022 0.0051 4725 GLY 86 O -0.0084 -0.0014 0.0047 4726 SER 87 N -0.0095 -0.0035 0.0055 4727 SER 87 CA -0.0094 -0.0043 0.0055 4728 SER 87 C -0.0084 -0.0057 0.0051 4729 SER 87 O -0.0087 -0.0069 0.0054 4730 SER 87 CB -0.0108 -0.0049 0.0064 4731 SER 87 OG -0.0117 -0.0036 0.0068 4732 ILE 88 N -0.0072 -0.0056 0.0044 4733 ILE 88 CA -0.0061 -0.0067 0.0038 4734 ILE 88 C -0.0064 -0.0083 0.0041 4735 ILE 88 O -0.0065 -0.0095 0.0043 4736 ILE 88 CB -0.0048 -0.0061 0.0029 4737 ILE 88 CG1 -0.0045 -0.0048 0.0027 4738 ILE 88 CG2 -0.0037 -0.0073 0.0024 4739 ILE 88 CD1 -0.0033 -0.0039 0.0019 4740 ALA 89 N -0.0073 -0.0010 0.0061 4741 ALA 89 CA -0.0072 -0.0004 0.0055 4742 ALA 89 C -0.0062 -0.0002 0.0055 4743 ALA 89 O -0.0057 -0.0000 0.0054 4744 ALA 89 CB -0.0074 0.0000 0.0051 4745 ALA 90 N -0.0061 -0.0004 0.0056 4746 ALA 90 CA -0.0053 -0.0003 0.0057 4747 ALA 90 C -0.0052 0.0003 0.0051 4748 ALA 90 O -0.0058 0.0004 0.0049 4749 ALA 90 CB -0.0050 -0.0008 0.0062 4750 ALA 91 N -0.0044 0.0006 0.0050 4751 ALA 91 CA -0.0043 0.0011 0.0045 4752 ALA 91 C -0.0034 0.0012 0.0045 4753 ALA 91 O -0.0028 0.0012 0.0045 4754 ALA 91 CB -0.0045 0.0017 0.0039 4755 THR 92 N -0.0033 0.0012 0.0045 4756 THR 92 CA -0.0025 0.0013 0.0046 4757 THR 92 C -0.0024 0.0018 0.0040 4758 THR 92 O -0.0030 0.0020 0.0038 4759 THR 92 CB -0.0023 0.0007 0.0051 4760 THR 92 OG1 -0.0028 0.0007 0.0051 4761 THR 92 CG2 -0.0024 0.0001 0.0056 4762 GLY 93 N 0.0009 0.0039 0.0041 4763 GLY 93 CA 0.0011 0.0048 0.0032 4764 GLY 93 C 0.0017 0.0049 0.0027 4765 GLY 93 O 0.0016 0.0058 0.0022 4766 PHE 94 N 0.0023 0.0041 0.0027 4767 PHE 94 CA 0.0030 0.0041 0.0022 4768 PHE 94 C 0.0031 0.0031 0.0027 4769 PHE 94 O 0.0032 0.0023 0.0032 4770 PHE 94 CB 0.0039 0.0040 0.0014 4771 PHE 94 CG 0.0039 0.0050 0.0008 4772 PHE 94 CD1 0.0040 0.0058 0.0001 4773 PHE 94 CD2 0.0038 0.0051 0.0008 4774 PHE 94 CE1 0.0040 0.0066 -0.0005 4775 PHE 94 CE2 0.0038 0.0060 0.0002 4776 PHE 94 CZ 0.0039 0.0068 -0.0005 4777 VAL 95 N 0.0031 0.0033 0.0027 4778 VAL 95 CA 0.0033 0.0024 0.0030 4779 VAL 95 C 0.0040 0.0026 0.0024 4780 VAL 95 O 0.0037 0.0034 0.0020 4781 VAL 95 CB 0.0024 0.0023 0.0038 4782 VAL 95 CG1 0.0028 0.0015 0.0041 4783 VAL 95 CG2 0.0018 0.0021 0.0046 4784 LYS 96 N 0.0048 0.0019 0.0021 4785 LYS 96 CA 0.0055 0.0020 0.0015 4786 LYS 96 C 0.0058 0.0011 0.0018 4787 LYS 96 O 0.0055 0.0004 0.0026 4788 LYS 96 CB 0.0064 0.0020 0.0007 4789 LYS 96 CG 0.0062 0.0030 0.0002 4790 LYS 96 CD 0.0061 0.0039 -0.0003 4791 LYS 96 CE 0.0059 0.0048 -0.0008 4792 LYS 96 NZ 0.0067 0.0048 -0.0015 4793 LYS 97 N 0.0063 0.0073 -0.0006 4794 LYS 97 CA 0.0062 0.0076 -0.0011 4795 LYS 97 C 0.0058 0.0075 -0.0012 4796 LYS 97 O 0.0058 0.0074 -0.0010 4797 LYS 97 CB 0.0067 0.0079 -0.0012 4798 LYS 97 CG 0.0066 0.0083 -0.0018 4799 LYS 97 CD 0.0065 0.0084 -0.0019 4800 LYS 97 CE 0.0064 0.0088 -0.0025 4801 LYS 97 NZ 0.0069 0.0091 -0.0026 4802 ASP 98 N 0.0054 0.0077 -0.0016 4803 ASP 98 CA 0.0051 0.0077 -0.0019 4804 ASP 98 C 0.0051 0.0081 -0.0024 4805 ASP 98 O 0.0053 0.0083 -0.0025 4806 ASP 98 CB 0.0045 0.0074 -0.0018 4807 ASP 98 CG 0.0042 0.0073 -0.0019 4808 ASP 98 OD1 0.0044 0.0075 -0.0020 4809 ASP 98 OD2 0.0037 0.0070 -0.0018 4810 GLN 99 N 0.0047 0.0082 -0.0027 4811 GLN 99 CA 0.0047 0.0085 -0.0032 4812 GLN 99 C 0.0044 0.0086 -0.0034 4813 GLN 99 O 0.0046 0.0089 -0.0037 4814 GLN 99 CB 0.0043 0.0085 -0.0034 4815 GLN 99 CG 0.0043 0.0089 -0.0039 4816 GLN 99 CD 0.0039 0.0089 -0.0041 4817 GLN 99 OE1 0.0038 0.0086 -0.0038 4818 GLN 99 NE2 0.0039 0.0092 -0.0045 4819 VAL 37 N 0.0227 0.0281 -0.0028 4820 VAL 37 CA 0.0248 0.0228 -0.0006 4821 VAL 37 C 0.0182 0.0184 -0.0016 4822 VAL 37 O 0.0177 0.0151 -0.0009 4823 VAL 37 CB 0.0288 0.0263 -0.0001 4824 VAL 37 CG1 0.0360 0.0288 0.0018 4825 VAL 37 CG2 0.0254 0.0327 -0.0032 4826 LEU 38 N 0.0131 0.0182 -0.0034 4827 LEU 38 CA 0.0065 0.0142 -0.0046 4828 LEU 38 C 0.0072 0.0063 -0.0021 4829 LEU 38 O 0.0046 0.0025 -0.0019 4830 LEU 38 CB 0.0012 0.0162 -0.0070 4831 LEU 38 CG -0.0032 0.0223 -0.0104 4832 LEU 38 CD1 -0.0085 0.0208 -0.0118 4833 LEU 38 CD2 0.0010 0.0293 -0.0109 4834 TYR 39 N 0.0106 0.0039 -0.0002 4835 TYR 39 CA 0.0121 -0.0034 0.0024 4836 TYR 39 C 0.0055 -0.0085 0.0015 4837 TYR 39 O 0.0043 -0.0130 0.0024 4838 TYR 39 CB 0.0171 -0.0057 0.0049 4839 TYR 39 CG 0.0243 -0.0022 0.0065 4840 TYR 39 CD1 0.0289 -0.0046 0.0088 4841 TYR 39 CD2 0.0266 0.0033 0.0057 4842 TYR 39 CE1 0.0356 -0.0015 0.0103 4843 TYR 39 CE2 0.0333 0.0065 0.0072 4844 TYR 39 CZ 0.0377 0.0041 0.0094 4845 TYR 39 OH 0.0443 0.0072 0.0109 4846 VAL 40 N 0.0012 -0.0076 -0.0003 4847 VAL 40 CA -0.0051 -0.0122 -0.0012 4848 VAL 40 C -0.0036 -0.0194 0.0014 4849 VAL 40 O -0.0066 -0.0248 0.0019 4850 VAL 40 CB -0.0102 -0.0087 -0.0040 4851 VAL 40 CG1 -0.0168 -0.0135 -0.0050 4852 VAL 40 CG2 -0.0118 -0.0017 -0.0066 4853 GLY 41 N 0.0091 -0.0248 0.0057 4854 GLY 41 CA 0.0088 -0.0242 0.0048 4855 GLY 41 C 0.0080 -0.0241 0.0045 4856 GLY 41 O 0.0072 -0.0239 0.0040 4857 SER 42 N 0.0081 -0.0242 0.0047 4858 SER 42 CA 0.0073 -0.0243 0.0046 4859 SER 42 C 0.0069 -0.0236 0.0037 4860 SER 42 O 0.0060 -0.0236 0.0035 4861 SER 42 CB 0.0076 -0.0246 0.0050 4862 SER 42 OG 0.0069 -0.0246 0.0049 4863 LYS 43 N 0.0076 -0.0231 0.0032 4864 LYS 43 CA 0.0073 -0.0224 0.0023 4865 LYS 43 C 0.0083 -0.0219 0.0019 4866 LYS 43 O 0.0091 -0.0218 0.0020 4867 LYS 43 CB 0.0069 -0.0222 0.0020 4868 LYS 43 CG 0.0065 -0.0215 0.0011 4869 LYS 43 CD 0.0061 -0.0213 0.0007 4870 LYS 43 CE 0.0056 -0.0207 -0.0002 4871 LYS 43 NZ 0.0064 -0.0201 -0.0007 4872 THR 44 N 0.0082 -0.0216 0.0015 4873 THR 44 CA 0.0090 -0.0210 0.0010 4874 THR 44 C 0.0086 -0.0204 0.0002 4875 THR 44 O 0.0076 -0.0205 0.0000 4876 THR 44 CB 0.0095 -0.0212 0.0014 4877 THR 44 OG1 0.0088 -0.0213 0.0013 4878 THR 44 CG2 0.0100 -0.0219 0.0023 4879 LYS 45 N 0.0083 -0.0088 -0.0048 4880 LYS 45 CA 0.0081 -0.0079 -0.0051 4881 LYS 45 C 0.0088 -0.0076 -0.0055 4882 LYS 45 O 0.0090 -0.0077 -0.0055 4883 LYS 45 CB 0.0073 -0.0078 -0.0048 4884 LYS 45 CG 0.0070 -0.0069 -0.0051 4885 LYS 45 CD 0.0061 -0.0067 -0.0048 4886 LYS 45 CE 0.0058 -0.0058 -0.0051 4887 LYS 45 NZ 0.0050 -0.0057 -0.0048 4888 GLU 46 N 0.0093 -0.0073 -0.0059 4889 GLU 46 CA 0.0102 -0.0072 -0.0063 4890 GLU 46 C 0.0104 -0.0063 -0.0067 4891 GLU 46 O 0.0104 -0.0062 -0.0068 4892 GLU 46 CB 0.0108 -0.0079 -0.0062 4893 GLU 46 CG 0.0107 -0.0081 -0.0060 4894 GLU 46 CD 0.0113 -0.0089 -0.0059 4895 GLU 46 OE1 0.0117 -0.0093 -0.0059 4896 GLU 46 OE2 0.0113 -0.0092 -0.0058 4897 GLY 47 N 0.0106 -0.0058 -0.0070 4898 GLY 47 CA 0.0107 -0.0050 -0.0075 4899 GLY 47 C 0.0100 -0.0044 -0.0074 4900 GLY 47 O 0.0098 -0.0038 -0.0076 4901 VAL 48 N 0.0094 -0.0044 -0.0072 4902 VAL 48 CA 0.0085 -0.0040 -0.0070 4903 VAL 48 C 0.0084 -0.0034 -0.0072 4904 VAL 48 O 0.0087 -0.0037 -0.0072 4905 VAL 48 CB 0.0079 -0.0046 -0.0065 4906 VAL 48 CG1 0.0070 -0.0041 -0.0063 4907 VAL 48 CG2 0.0080 -0.0051 -0.0063 4908 VAL 49 N 0.0084 -0.0022 -0.0076 4909 VAL 49 CA 0.0082 -0.0022 -0.0073 4910 VAL 49 C 0.0085 -0.0023 -0.0074 4911 VAL 49 O 0.0090 -0.0025 -0.0074 4912 VAL 49 CB 0.0082 -0.0023 -0.0067 4913 VAL 49 CG1 0.0081 -0.0022 -0.0063 4914 VAL 49 CG2 0.0078 -0.0021 -0.0066 4915 HIS 50 N 0.0083 -0.0022 -0.0075 4916 HIS 50 CA 0.0086 -0.0023 -0.0076 4917 HIS 50 C 0.0083 -0.0022 -0.0075 4918 HIS 50 O 0.0079 -0.0021 -0.0076 4919 HIS 50 CB 0.0087 -0.0024 -0.0082 4920 HIS 50 CG 0.0084 -0.0022 -0.0086 4921 HIS 50 ND1 0.0082 -0.0021 -0.0088 4922 HIS 50 CD2 0.0081 -0.0021 -0.0089 4923 HIS 50 CE1 0.0079 -0.0020 -0.0092 4924 HIS 50 NE2 0.0078 -0.0019 -0.0092 4925 GLY 51 N 0.0086 -0.0024 -0.0072 4926 GLY 51 CA 0.0084 -0.0023 -0.0070 4927 GLY 51 C 0.0081 -0.0022 -0.0065 4928 GLY 51 O 0.0077 -0.0021 -0.0065 4929 VAL 52 N 0.0084 -0.0023 -0.0061 4930 VAL 52 CA 0.0081 -0.0023 -0.0055 4931 VAL 52 C 0.0084 -0.0024 -0.0051 4932 VAL 52 O 0.0088 -0.0026 -0.0051 4933 VAL 52 CB 0.0081 -0.0023 -0.0053 4934 VAL 52 CG1 0.0079 -0.0023 -0.0048 4935 VAL 52 CG2 0.0079 -0.0022 -0.0057 4936 ALA 53 N 0.0086 -0.0030 -0.0035 4937 ALA 53 CA 0.0087 -0.0020 -0.0024 4938 ALA 53 C 0.0088 -0.0016 -0.0020 4939 ALA 53 O 0.0081 -0.0021 -0.0022 4940 ALA 53 CB 0.0075 -0.0019 -0.0017 4941 THR 54 N 0.0095 -0.0007 -0.0014 4942 THR 54 CA 0.0098 -0.0002 -0.0010 4943 THR 54 C 0.0100 0.0008 0.0001 4944 THR 54 O 0.0108 0.0013 0.0002 4945 THR 54 CB 0.0109 -0.0004 -0.0018 4946 THR 54 OG1 0.0107 -0.0014 -0.0028 4947 THR 54 CG2 0.0112 0.0001 -0.0014 4948 VAL 55 N 0.0094 0.0011 0.0008 4949 VAL 55 CA 0.0095 0.0021 0.0019 4950 VAL 55 C 0.0098 0.0025 0.0021 4951 VAL 55 O 0.0091 0.0020 0.0020 4952 VAL 55 CB 0.0084 0.0023 0.0027 4953 VAL 55 CG1 0.0085 0.0033 0.0038 4954 VAL 55 CG2 0.0082 0.0020 0.0025 4955 ALA 56 N 0.0108 0.0032 0.0025 4956 ALA 56 CA 0.0111 0.0036 0.0027 4957 ALA 56 C 0.0114 0.0047 0.0038 4958 ALA 56 O 0.0123 0.0052 0.0039 4959 ALA 56 CB 0.0123 0.0035 0.0019 4960 GLU 57 N 0.0074 0.0079 0.0063 4961 GLU 57 CA 0.0074 0.0070 0.0059 4962 GLU 57 C 0.0066 0.0059 0.0049 4963 GLU 57 O 0.0069 0.0050 0.0048 4964 GLU 57 CB 0.0087 0.0062 0.0065 4965 GLU 57 CG 0.0096 0.0071 0.0075 4966 GLU 57 CD 0.0109 0.0062 0.0081 4967 GLU 57 OE1 0.0112 0.0049 0.0078 4968 GLU 57 OE2 0.0117 0.0068 0.0089 4969 LYS 58 N 0.0055 0.0061 0.0042 4970 LYS 58 CA 0.0045 0.0053 0.0032 4971 LYS 58 C 0.0041 0.0046 0.0027 4972 LYS 58 O 0.0035 0.0053 0.0025 4973 LYS 58 CB 0.0034 0.0063 0.0028 4974 LYS 58 CG 0.0036 0.0069 0.0032 4975 LYS 58 CD 0.0025 0.0078 0.0028 4976 LYS 58 CE 0.0028 0.0083 0.0032 4977 LYS 58 NZ 0.0016 0.0092 0.0028 4978 THR 59 N 0.0045 0.0032 0.0023 4979 THR 59 CA 0.0043 0.0024 0.0018 4980 THR 59 C 0.0029 0.0024 0.0009 4981 THR 59 O 0.0024 0.0024 0.0005 4982 THR 59 CB 0.0051 0.0009 0.0018 4983 THR 59 OG1 0.0064 0.0010 0.0027 4984 THR 59 CG2 0.0050 0.0001 0.0014 4985 LYS 60 N 0.0022 0.0024 0.0004 4986 LYS 60 CA 0.0009 0.0024 -0.0005 4987 LYS 60 C 0.0003 0.0031 -0.0007 4988 LYS 60 O 0.0005 0.0025 -0.0007 4989 LYS 60 CB 0.0006 0.0010 -0.0013 4990 LYS 60 CG -0.0008 0.0010 -0.0023 4991 LYS 60 CD -0.0010 -0.0005 -0.0030 4992 LYS 60 CE -0.0024 -0.0004 -0.0040 4993 LYS 60 NZ -0.0026 -0.0019 -0.0048 4994 GLU 61 N -0.0069 0.0098 -0.0015 4995 GLU 61 CA -0.0073 0.0104 -0.0013 4996 GLU 61 C -0.0094 0.0109 -0.0031 4997 GLU 61 O -0.0109 0.0123 -0.0032 4998 GLU 61 CB -0.0074 0.0121 0.0010 4999 GLU 61 CG -0.0078 0.0127 0.0013 5000 GLU 61 CD -0.0078 0.0143 0.0036 5001 GLU 61 OE1 -0.0074 0.0149 0.0049 5002 GLU 61 OE2 -0.0081 0.0150 0.0040 5003 GLN 62 N -0.0093 0.0099 -0.0046 5004 GLN 62 CA -0.0111 0.0101 -0.0065 5005 GLN 62 C -0.0114 0.0103 -0.0066 5006 GLN 62 O -0.0101 0.0090 -0.0067 5007 GLN 62 CB -0.0109 0.0084 -0.0086 5008 GLN 62 CG -0.0127 0.0086 -0.0107 5009 GLN 62 CD -0.0126 0.0070 -0.0128 5010 GLN 62 OE1 -0.0110 0.0056 -0.0127 5011 GLN 62 NE2 -0.0141 0.0070 -0.0147 5012 VAL 63 N -0.0131 0.0120 -0.0065 5013 VAL 63 CA -0.0135 0.0124 -0.0066 5014 VAL 63 C -0.0156 0.0129 -0.0084 5015 VAL 63 O -0.0172 0.0145 -0.0082 5016 VAL 63 CB -0.0135 0.0139 -0.0044 5017 VAL 63 CG1 -0.0141 0.0143 -0.0046 5018 VAL 63 CG2 -0.0115 0.0134 -0.0025 5019 THR 64 N -0.0157 0.0116 -0.0104 5020 THR 64 CA -0.0175 0.0119 -0.0123 5021 THR 64 C -0.0176 0.0114 -0.0131 5022 THR 64 O -0.0166 0.0097 -0.0142 5023 THR 64 CB -0.0177 0.0107 -0.0142 5024 THR 64 OG1 -0.0163 0.0088 -0.0152 5025 THR 64 CG2 -0.0173 0.0109 -0.0134 5026 ASN 65 N -0.0184 0.0141 -0.0134 5027 ASN 65 CA -0.0162 0.0132 -0.0135 5028 ASN 65 C -0.0168 0.0140 -0.0151 5029 ASN 65 O -0.0191 0.0151 -0.0156 5030 ASN 65 CB -0.0154 0.0119 -0.0105 5031 ASN 65 CG -0.0174 0.0120 -0.0086 5032 ASN 65 OD1 -0.0190 0.0129 -0.0095 5033 ASN 65 ND2 -0.0173 0.0110 -0.0059 5034 VAL 66 N -0.0146 0.0135 -0.0160 5035 VAL 66 CA -0.0150 0.0140 -0.0170 5036 VAL 66 C -0.0134 0.0128 -0.0153 5037 VAL 66 O -0.0113 0.0116 -0.0145 5038 VAL 66 CB -0.0142 0.0148 -0.0202 5039 VAL 66 CG1 -0.0153 0.0158 -0.0220 5040 VAL 66 CG2 -0.0112 0.0139 -0.0211 5041 GLY 67 N -0.0147 0.0130 -0.0146 5042 GLY 67 CA -0.0134 0.0120 -0.0130 5043 GLY 67 C -0.0128 0.0107 -0.0101 5044 GLY 67 O -0.0118 0.0098 -0.0087 5045 GLY 68 N -0.0135 0.0106 -0.0090 5046 GLY 68 CA -0.0126 0.0093 -0.0064 5047 GLY 68 C -0.0150 0.0096 -0.0045 5048 GLY 68 O -0.0173 0.0108 -0.0052 5049 ALA 69 N -0.0135 0.0044 -0.0013 5050 ALA 69 CA -0.0135 0.0050 -0.0005 5051 ALA 69 C -0.0121 0.0049 -0.0001 5052 ALA 69 O -0.0114 0.0051 0.0003 5053 ALA 69 CB -0.0140 0.0059 0.0003 5054 VAL 70 N -0.0118 0.0047 -0.0003 5055 VAL 70 CA -0.0106 0.0045 -0.0000 5056 VAL 70 C -0.0105 0.0051 0.0008 5057 VAL 70 O -0.0112 0.0053 0.0008 5058 VAL 70 CB -0.0102 0.0036 -0.0009 5059 VAL 70 CG1 -0.0090 0.0035 -0.0006 5060 VAL 70 CG2 -0.0102 0.0030 -0.0017 5061 VAL 71 N -0.0096 0.0055 0.0016 5062 VAL 71 CA -0.0093 0.0060 0.0024 5063 VAL 71 C -0.0081 0.0056 0.0023 5064 VAL 71 O -0.0072 0.0053 0.0023 5065 VAL 71 CB -0.0092 0.0068 0.0034 5066 VAL 71 CG1 -0.0087 0.0073 0.0042 5067 VAL 71 CG2 -0.0104 0.0073 0.0035 5068 THR 72 N -0.0081 0.0055 0.0023 5069 THR 72 CA -0.0070 0.0051 0.0022 5070 THR 72 C -0.0067 0.0057 0.0030 5071 THR 72 O -0.0074 0.0060 0.0031 5072 THR 72 CB -0.0072 0.0044 0.0012 5073 THR 72 OG1 -0.0081 0.0046 0.0011 5074 THR 72 CG2 -0.0075 0.0038 0.0003 5075 GLY 73 N 0.0010 0.0002 0.0036 5076 GLY 73 CA 0.0010 0.0000 0.0023 5077 GLY 73 C 0.0013 -0.0008 0.0016 5078 GLY 73 O 0.0017 -0.0016 0.0012 5079 VAL 74 N 0.0012 -0.0007 0.0014 5080 VAL 74 CA 0.0015 -0.0014 0.0006 5081 VAL 74 C 0.0011 -0.0010 -0.0006 5082 VAL 74 O 0.0006 -0.0000 -0.0008 5083 VAL 74 CB 0.0016 -0.0016 0.0010 5084 VAL 74 CG1 0.0019 -0.0017 0.0023 5085 VAL 74 CG2 0.0011 -0.0007 0.0007 5086 THR 75 N 0.0014 -0.0017 -0.0015 5087 THR 75 CA 0.0011 -0.0014 -0.0027 5088 THR 75 C 0.0013 -0.0020 -0.0035 5089 THR 75 O 0.0019 -0.0030 -0.0034 5090 THR 75 CB 0.0011 -0.0015 -0.0031 5091 THR 75 OG1 0.0009 -0.0009 -0.0023 5092 THR 75 CG2 0.0008 -0.0012 -0.0043 5093 ALA 76 N 0.0010 -0.0016 -0.0044 5094 ALA 76 CA 0.0011 -0.0021 -0.0053 5095 ALA 76 C 0.0015 -0.0027 -0.0049 5096 ALA 76 O 0.0020 -0.0036 -0.0053 5097 ALA 76 CB 0.0014 -0.0028 -0.0062 5098 VAL 77 N 0.0059 -0.0092 -0.0037 5099 VAL 77 CA 0.0058 -0.0095 -0.0031 5100 VAL 77 C 0.0053 -0.0083 -0.0040 5101 VAL 77 O 0.0044 -0.0071 -0.0041 5102 VAL 77 CB 0.0051 -0.0096 -0.0013 5103 VAL 77 CG1 0.0051 -0.0099 -0.0007 5104 VAL 77 CG2 0.0056 -0.0107 -0.0005 5105 ALA 78 N 0.0059 -0.0087 -0.0046 5106 ALA 78 CA 0.0055 -0.0076 -0.0056 5107 ALA 78 C 0.0057 -0.0080 -0.0055 5108 ALA 78 O 0.0067 -0.0089 -0.0061 5109 ALA 78 CB 0.0060 -0.0073 -0.0073 5110 GLN 79 N 0.0049 -0.0074 -0.0047 5111 GLN 79 CA 0.0050 -0.0077 -0.0045 5112 GLN 79 C 0.0045 -0.0065 -0.0053 5113 GLN 79 O 0.0038 -0.0054 -0.0058 5114 GLN 79 CB 0.0046 -0.0081 -0.0027 5115 GLN 79 CG 0.0033 -0.0070 -0.0019 5116 GLN 79 CD 0.0029 -0.0075 -0.0002 5117 GLN 79 OE1 0.0036 -0.0087 0.0004 5118 GLN 79 NE2 0.0018 -0.0066 0.0007 5119 LYS 80 N 0.0048 -0.0067 -0.0056 5120 LYS 80 CA 0.0042 -0.0057 -0.0061 5121 LYS 80 C 0.0040 -0.0061 -0.0050 5122 LYS 80 O 0.0047 -0.0073 -0.0045 5123 LYS 80 CB 0.0048 -0.0055 -0.0078 5124 LYS 80 CG 0.0041 -0.0042 -0.0085 5125 LYS 80 CD 0.0047 -0.0040 -0.0101 5126 LYS 80 CE 0.0039 -0.0027 -0.0106 5127 LYS 80 NZ 0.0044 -0.0025 -0.0122 5128 THR 81 N 0.0022 -0.0054 -0.0046 5129 THR 81 CA -0.0004 -0.0053 -0.0027 5130 THR 81 C -0.0017 -0.0014 -0.0035 5131 THR 81 O -0.0027 0.0010 -0.0037 5132 THR 81 CB -0.0030 -0.0068 -0.0001 5133 THR 81 OG1 -0.0017 -0.0105 0.0005 5134 THR 81 CG2 -0.0056 -0.0068 0.0018 5135 VAL 82 N -0.0016 -0.0009 -0.0038 5136 VAL 82 CA -0.0032 0.0026 -0.0041 5137 VAL 82 C -0.0062 0.0021 -0.0016 5138 VAL 82 O -0.0061 -0.0003 -0.0007 5139 VAL 82 CB -0.0011 0.0038 -0.0062 5140 VAL 82 CG1 -0.0029 0.0072 -0.0064 5141 VAL 82 CG2 0.0018 0.0046 -0.0087 5142 GLU 83 N -0.0090 0.0042 -0.0005 5143 GLU 83 CA -0.0121 0.0043 0.0018 5144 GLU 83 C -0.0129 0.0005 0.0040 5145 GLU 83 O -0.0133 -0.0013 0.0051 5146 GLU 83 CB -0.0126 0.0056 0.0015 5147 GLU 83 CG -0.0124 0.0095 -0.0003 5148 GLU 83 CD -0.0130 0.0109 -0.0005 5149 GLU 83 OE1 -0.0132 0.0087 0.0007 5150 GLU 83 OE2 -0.0131 0.0141 -0.0018 5151 GLY 84 N -0.0131 -0.0006 0.0046 5152 GLY 84 CA -0.0141 -0.0039 0.0068 5153 GLY 84 C -0.0140 -0.0045 0.0070 5154 GLY 84 O -0.0130 -0.0025 0.0054 5155 ALA 85 N -0.0097 -0.0037 0.0087 5156 ALA 85 CA -0.0095 -0.0036 0.0085 5157 ALA 85 C -0.0088 -0.0051 0.0077 5158 ALA 85 O -0.0089 -0.0066 0.0080 5159 ALA 85 CB -0.0106 -0.0036 0.0098 5160 GLY 86 N -0.0080 -0.0048 0.0068 5161 GLY 86 CA -0.0073 -0.0062 0.0060 5162 GLY 86 C -0.0072 -0.0062 0.0058 5163 GLY 86 O -0.0067 -0.0051 0.0052 5164 SER 87 N -0.0076 -0.0076 0.0064 5165 SER 87 CA -0.0075 -0.0078 0.0063 5166 SER 87 C -0.0067 -0.0093 0.0054 5167 SER 87 O -0.0070 -0.0107 0.0058 5168 SER 87 CB -0.0086 -0.0081 0.0076 5169 SER 87 OG -0.0093 -0.0067 0.0084 5170 ILE 88 N -0.0058 -0.0090 0.0042 5171 ILE 88 CA -0.0049 -0.0102 0.0032 5172 ILE 88 C -0.0051 -0.0115 0.0035 5173 ILE 88 O -0.0052 -0.0130 0.0037 5174 ILE 88 CB -0.0038 -0.0094 0.0018 5175 ILE 88 CG1 -0.0036 -0.0086 0.0015 5176 ILE 88 CG2 -0.0030 -0.0108 0.0008 5177 ILE 88 CD1 -0.0027 -0.0075 0.0003 5178 ALA 89 N -0.0079 0.0006 0.0070 5179 ALA 89 CA -0.0079 0.0008 0.0062 5180 ALA 89 C -0.0073 0.0008 0.0061 5181 ALA 89 O -0.0067 0.0009 0.0059 5182 ALA 89 CB -0.0077 0.0009 0.0058 5183 ALA 90 N -0.0076 0.0008 0.0062 5184 ALA 90 CA -0.0071 0.0008 0.0061 5185 ALA 90 C -0.0073 0.0010 0.0055 5186 ALA 90 O -0.0079 0.0011 0.0052 5187 ALA 90 CB -0.0072 0.0007 0.0068 5188 ALA 91 N -0.0067 0.0011 0.0052 5189 ALA 91 CA -0.0068 0.0013 0.0045 5190 ALA 91 C -0.0063 0.0013 0.0045 5191 ALA 91 O -0.0057 0.0013 0.0045 5192 ALA 91 CB -0.0067 0.0014 0.0039 5193 THR 92 N -0.0066 0.0013 0.0044 5194 THR 92 CA -0.0061 0.0013 0.0044 5195 THR 92 C -0.0063 0.0015 0.0037 5196 THR 92 O -0.0069 0.0016 0.0034 5197 THR 92 CB -0.0063 0.0012 0.0050 5198 THR 92 OG1 -0.0070 0.0012 0.0049 5199 THR 92 CG2 -0.0062 0.0010 0.0057 5200 GLY 93 N -0.0026 0.0060 0.0040 5201 GLY 93 CA -0.0023 0.0071 0.0028 5202 GLY 93 C -0.0017 0.0074 0.0020 5203 GLY 93 O -0.0019 0.0085 0.0013 5204 PHE 94 N -0.0009 0.0063 0.0021 5205 PHE 94 CA -0.0002 0.0063 0.0013 5206 PHE 94 C -0.0000 0.0052 0.0020 5207 PHE 94 O 0.0002 0.0041 0.0026 5208 PHE 94 CB 0.0010 0.0062 0.0002 5209 PHE 94 CG 0.0009 0.0073 -0.0007 5210 PHE 94 CD1 0.0010 0.0084 -0.0016 5211 PHE 94 CD2 0.0008 0.0074 -0.0006 5212 PHE 94 CE1 0.0010 0.0094 -0.0024 5213 PHE 94 CE2 0.0008 0.0084 -0.0014 5214 PHE 94 CZ 0.0008 0.0094 -0.0023 5215 VAL 95 N -0.0001 0.0055 0.0018 5216 VAL 95 CA 0.0002 0.0046 0.0023 5217 VAL 95 C 0.0009 0.0049 0.0013 5218 VAL 95 O 0.0005 0.0059 0.0009 5219 VAL 95 CB -0.0009 0.0046 0.0034 5220 VAL 95 CG1 -0.0005 0.0037 0.0037 5221 VAL 95 CG2 -0.0016 0.0041 0.0044 5222 LYS 96 N 0.0020 0.0039 0.0009 5223 LYS 96 CA 0.0028 0.0041 -0.0000 5224 LYS 96 C 0.0031 0.0030 0.0004 5225 LYS 96 O 0.0028 0.0022 0.0015 5226 LYS 96 CB 0.0038 0.0040 -0.0011 5227 LYS 96 CG 0.0036 0.0051 -0.0017 5228 LYS 96 CD 0.0033 0.0064 -0.0024 5229 LYS 96 CE 0.0031 0.0075 -0.0030 5230 LYS 96 NZ 0.0041 0.0073 -0.0040 5231 LYS 97 N 0.0066 0.0084 -0.0017 5232 LYS 97 CA 0.0068 0.0081 -0.0022 5233 LYS 97 C 0.0071 0.0081 -0.0020 5234 LYS 97 O 0.0075 0.0083 -0.0015 5235 LYS 97 CB 0.0072 0.0078 -0.0026 5236 LYS 97 CG 0.0074 0.0074 -0.0031 5237 LYS 97 CD 0.0068 0.0073 -0.0035 5238 LYS 97 CE 0.0070 0.0069 -0.0041 5239 LYS 97 NZ 0.0074 0.0066 -0.0043 5240 ASP 98 N 0.0070 0.0080 -0.0023 5241 ASP 98 CA 0.0074 0.0079 -0.0022 5242 ASP 98 C 0.0076 0.0075 -0.0028 5243 ASP 98 O 0.0075 0.0073 -0.0032 5244 ASP 98 CB 0.0070 0.0082 -0.0019 5245 ASP 98 CG 0.0074 0.0083 -0.0016 5246 ASP 98 OD1 0.0080 0.0082 -0.0017 5247 ASP 98 OD2 0.0071 0.0085 -0.0014 5248 GLN 99 N 0.0079 0.0075 -0.0028 5249 GLN 99 CA 0.0081 0.0071 -0.0033 5250 GLN 99 C 0.0075 0.0070 -0.0037 5251 GLN 99 O 0.0075 0.0067 -0.0042 5252 GLN 99 CB 0.0085 0.0071 -0.0031 5253 GLN 99 CG 0.0088 0.0067 -0.0036 5254 GLN 99 CD 0.0092 0.0067 -0.0034 5255 GLN 99 OE1 0.0093 0.0070 -0.0029 5256 GLN 99 NE2 0.0095 0.0064 -0.0038