1 TYR 61 N -0.0011 -0.0079 -0.0089 2 TYR 61 H1 -0.0001 -0.0087 -0.0097 3 TYR 61 H2 -0.0012 -0.0078 -0.0087 4 TYR 61 H3 -0.0022 -0.0076 -0.0095 5 TYR 61 CA -0.0006 -0.0075 -0.0071 6 TYR 61 CB -0.0001 -0.0078 -0.0073 7 TYR 61 CG -0.0017 -0.0072 -0.0077 8 TYR 61 CD1 -0.0026 -0.0074 -0.0095 9 TYR 61 CE1 -0.0041 -0.0068 -0.0099 10 TYR 61 CZ -0.0048 -0.0060 -0.0085 11 TYR 61 OH -0.0063 -0.0053 -0.0089 12 TYR 61 HH -0.0067 -0.0056 -0.0102 13 TYR 61 CE2 -0.0039 -0.0058 -0.0067 14 TYR 61 CD2 -0.0024 -0.0064 -0.0063 15 TYR 61 C 0.0009 -0.0079 -0.0060 16 TYR 61 O 0.0022 -0.0087 -0.0066 17 LYS 62 N 0.0006 -0.0071 -0.0043 18 LYS 62 H -0.0006 -0.0064 -0.0039 19 LYS 62 CA 0.0017 -0.0072 -0.0029 20 LYS 62 CB 0.0031 -0.0075 -0.0018 21 LYS 62 CG 0.0023 -0.0067 -0.0008 22 LYS 62 CD 0.0035 -0.0069 0.0005 23 LYS 62 CE 0.0026 -0.0062 0.0013 24 LYS 62 NZ 0.0039 -0.0063 0.0027 25 LYS 62 HZ1 0.0048 -0.0070 0.0020 26 LYS 62 HZ2 0.0044 -0.0063 0.0037 27 LYS 62 HZ3 0.0032 -0.0058 0.0033 28 LYS 62 C 0.0025 -0.0078 -0.0035 29 LYS 62 O 0.0040 -0.0084 -0.0031 30 GLY 63 N 0.0088 -0.0134 -0.0129 31 GLY 63 H 0.0094 -0.0152 -0.0125 32 GLY 63 CA 0.0091 -0.0119 -0.0105 33 GLY 63 C 0.0088 -0.0095 -0.0092 34 GLY 63 O 0.0095 -0.0096 -0.0069 35 ASN 64 N 0.0078 -0.0074 -0.0108 36 ASN 64 H 0.0072 -0.0074 -0.0128 37 ASN 64 CA 0.0074 -0.0049 -0.0098 38 ASN 64 CB 0.0065 -0.0022 -0.0105 39 ASN 64 CG 0.0068 -0.0018 -0.0089 40 ASN 64 OD1 0.0075 -0.0016 -0.0063 41 ASN 64 ND2 0.0063 -0.0015 -0.0104 42 ASN 64 1HD2 0.0065 -0.0012 -0.0094 43 ASN 64 2HD2 0.0058 -0.0017 -0.0125 44 ASN 64 C 0.0070 -0.0045 -0.0107 45 ASN 64 O 0.0069 -0.0026 -0.0096 46 TYR 65 N 0.0052 -0.0029 -0.0077 47 TYR 65 H 0.0048 -0.0035 -0.0076 48 TYR 65 CA 0.0050 -0.0029 -0.0092 49 TYR 65 CB 0.0048 -0.0032 -0.0106 50 TYR 65 CG 0.0054 -0.0020 -0.0107 51 TYR 65 CD1 0.0054 -0.0022 -0.0101 52 TYR 65 CE1 0.0060 -0.0011 -0.0102 53 TYR 65 CZ 0.0066 0.0001 -0.0109 54 TYR 65 OH 0.0072 0.0012 -0.0110 55 TYR 65 HH 0.0071 0.0009 -0.0104 56 TYR 65 CE2 0.0067 0.0003 -0.0115 57 TYR 65 CD2 0.0061 -0.0008 -0.0114 58 TYR 65 C 0.0045 -0.0039 -0.0091 59 TYR 65 O 0.0038 -0.0052 -0.0089 60 GLN 66 N 0.0048 -0.0034 -0.0092 61 GLN 66 H 0.0053 -0.0024 -0.0093 62 GLN 66 CA 0.0043 -0.0043 -0.0091 63 GLN 66 CB 0.0047 -0.0037 -0.0082 64 GLN 66 CG 0.0049 -0.0035 -0.0064 65 GLN 66 CD 0.0042 -0.0049 -0.0055 66 GLN 66 OE1 0.0037 -0.0058 -0.0056 67 GLN 66 NE2 0.0041 -0.0050 -0.0047 68 GLN 66 1HE2 0.0037 -0.0059 -0.0041 69 GLN 66 2HE2 0.0046 -0.0042 -0.0046 70 GLN 66 C 0.0041 -0.0045 -0.0107 71 GLN 66 O 0.0045 -0.0036 -0.0117 72 LEU 67 N 0.0037 -0.0096 -0.0103 73 LEU 67 H 0.0036 -0.0100 -0.0099 74 LEU 67 CA 0.0035 -0.0097 -0.0109 75 LEU 67 CB 0.0031 -0.0105 -0.0110 76 LEU 67 CG 0.0028 -0.0109 -0.0111 77 LEU 67 CD1 0.0024 -0.0116 -0.0110 78 LEU 67 CD2 0.0028 -0.0107 -0.0118 79 LEU 67 C 0.0036 -0.0095 -0.0111 80 LEU 67 O 0.0037 -0.0096 -0.0106 81 GLN 68 N 0.0037 -0.0091 -0.0117 82 GLN 68 H 0.0037 -0.0090 -0.0121 83 GLN 68 CA 0.0039 -0.0088 -0.0119 84 GLN 68 CB 0.0043 -0.0082 -0.0116 85 GLN 68 CG 0.0045 -0.0079 -0.0118 86 GLN 68 CD 0.0049 -0.0072 -0.0114 87 GLN 68 OE1 0.0052 -0.0067 -0.0117 88 GLN 68 NE2 0.0050 -0.0073 -0.0108 89 GLN 68 1HE2 0.0053 -0.0069 -0.0105 90 GLN 68 2HE2 0.0048 -0.0077 -0.0106 91 GLN 68 C 0.0037 -0.0089 -0.0127 92 GLN 68 O 0.0037 -0.0087 -0.0131 93 THR 69 N 0.0059 -0.0094 -0.0110 94 THR 69 H 0.0063 -0.0098 -0.0099 95 THR 69 CA 0.0058 -0.0095 -0.0114 96 THR 69 CB 0.0066 -0.0109 -0.0109 97 THR 69 CG2 0.0070 -0.0109 -0.0091 98 THR 69 OG1 0.0065 -0.0110 -0.0116 99 THR 69 HG1 0.0069 -0.0120 -0.0117 100 THR 69 C 0.0054 -0.0081 -0.0108 101 THR 69 O 0.0053 -0.0074 -0.0096 102 LEU 70 N 0.0050 -0.0077 -0.0116 103 LEU 70 H 0.0050 -0.0083 -0.0126 104 LEU 70 CA 0.0045 -0.0064 -0.0111 105 LEU 70 CB 0.0037 -0.0053 -0.0123 106 LEU 70 CG 0.0031 -0.0038 -0.0119 107 LEU 70 CD1 0.0031 -0.0030 -0.0105 108 LEU 70 CD2 0.0024 -0.0029 -0.0133 109 LEU 70 C 0.0047 -0.0069 -0.0112 110 LEU 70 O 0.0047 -0.0075 -0.0125 111 GLU 71 N 0.0060 -0.0060 -0.0136 112 GLU 71 H 0.0064 -0.0059 -0.0134 113 GLU 71 CA 0.0057 -0.0056 -0.0137 114 GLU 71 CB 0.0061 -0.0057 -0.0135 115 GLU 71 CG 0.0058 -0.0053 -0.0136 116 GLU 71 CD 0.0062 -0.0054 -0.0134 117 GLU 71 OE1 0.0060 -0.0052 -0.0135 118 GLU 71 OE2 0.0068 -0.0057 -0.0132 119 GLU 71 C 0.0056 -0.0049 -0.0137 120 GLU 71 O 0.0061 -0.0046 -0.0135 121 LEU 72 N 0.0050 -0.0046 -0.0140 122 LEU 72 H 0.0047 -0.0049 -0.0142 123 LEU 72 CA 0.0049 -0.0039 -0.0141 124 LEU 72 CB 0.0042 -0.0038 -0.0144 125 LEU 72 CG 0.0041 -0.0043 -0.0145 126 LEU 72 CD1 0.0035 -0.0042 -0.0148 127 LEU 72 CD2 0.0046 -0.0041 -0.0142 128 LEU 72 C 0.0050 -0.0033 -0.0140 129 LEU 72 O 0.0047 -0.0034 -0.0141 130 ASN 73 N 0.0025 -0.0015 -0.0179 131 ASN 73 H 0.0017 -0.0040 -0.0194 132 ASN 73 CA 0.0029 -0.0004 -0.0170 133 ASN 73 CB 0.0025 -0.0020 -0.0201 134 ASN 73 CG 0.0031 -0.0002 -0.0194 135 ASN 73 OD1 0.0035 0.0015 -0.0162 136 ASN 73 ND2 0.0033 -0.0006 -0.0226 137 ASN 73 1HD2 0.0036 0.0003 -0.0223 138 ASN 73 2HD2 0.0030 -0.0020 -0.0252 139 ASN 73 C 0.0019 -0.0020 -0.0128 140 ASN 73 O 0.0005 -0.0056 -0.0122 141 MET 74 N 0.0026 0.0006 -0.0098 142 MET 74 H 0.0036 0.0034 -0.0105 143 MET 74 CA 0.0019 -0.0003 -0.0056 144 MET 74 CB 0.0029 0.0032 -0.0028 145 MET 74 CG 0.0033 0.0043 -0.0031 146 MET 74 SD 0.0018 0.0005 -0.0015 147 MET 74 CE 0.0029 0.0030 -0.0036 148 MET 74 C 0.0013 -0.0017 -0.0046 149 MET 74 O 0.0003 -0.0035 -0.0015 150 GLU 75 N 0.0023 0.0036 -0.0079 151 GLU 75 H 0.0018 0.0046 -0.0089 152 GLU 75 CA 0.0013 0.0015 -0.0070 153 GLU 75 CB -0.0002 0.0013 -0.0077 154 GLU 75 CG 0.0009 0.0020 -0.0076 155 GLU 75 CD -0.0008 0.0020 -0.0086 156 GLU 75 OE1 -0.0028 0.0017 -0.0095 157 GLU 75 OE2 -0.0001 0.0025 -0.0085 158 GLU 75 C 0.0000 0.0003 -0.0068 159 GLU 75 O -0.0002 -0.0015 -0.0056 160 THR 76 N -0.0008 0.0013 -0.0081 161 THR 76 H -0.0006 0.0028 -0.0090 162 THR 76 CA -0.0022 0.0004 -0.0082 163 THR 76 CB -0.0029 0.0020 -0.0099 164 THR 76 CG2 -0.0045 0.0011 -0.0101 165 THR 76 OG1 -0.0041 0.0028 -0.0111 166 THR 76 HG1 -0.0038 0.0042 -0.0120 167 THR 76 C -0.0009 -0.0005 -0.0068 168 THR 76 O -0.0019 -0.0021 -0.0062 169 LEU 77 N -0.0029 -0.0005 0.0007 170 LEU 77 H -0.0028 0.0009 0.0005 171 LEU 77 CA -0.0024 -0.0011 0.0026 172 LEU 77 CB -0.0019 0.0002 0.0037 173 LEU 77 CG -0.0020 0.0005 0.0032 174 LEU 77 CD1 -0.0016 0.0020 0.0044 175 LEU 77 CD2 -0.0022 -0.0013 0.0033 176 LEU 77 C -0.0021 -0.0011 0.0034 177 LEU 77 O -0.0016 -0.0014 0.0051 178 ASN 78 N -0.0024 -0.0008 0.0023 179 ASN 78 H -0.0028 -0.0006 0.0010 180 ASN 78 CA -0.0022 -0.0006 0.0030 181 ASN 78 CB -0.0026 0.0002 0.0014 182 ASN 78 CG -0.0024 0.0009 0.0020 183 ASN 78 OD1 -0.0019 0.0015 0.0035 184 ASN 78 ND2 -0.0028 0.0009 0.0007 185 ASN 78 1HD2 -0.0026 0.0013 0.0009 186 ASN 78 2HD2 -0.0032 0.0005 -0.0006 187 ASN 78 C -0.0020 -0.0023 0.0039 188 ASN 78 O -0.0016 -0.0020 0.0054 189 MET 79 N -0.0023 -0.0098 0.0098 190 MET 79 H -0.0032 -0.0091 0.0103 191 MET 79 CA -0.0019 -0.0103 0.0096 192 MET 79 CB -0.0030 -0.0098 0.0102 193 MET 79 CG -0.0043 -0.0108 0.0111 194 MET 79 SD -0.0056 -0.0105 0.0119 195 MET 79 CE -0.0063 -0.0085 0.0122 196 MET 79 C -0.0005 -0.0095 0.0086 197 MET 79 O 0.0003 -0.0102 0.0082 198 THR 80 N -0.0003 -0.0079 0.0084 199 THR 80 H -0.0010 -0.0073 0.0088 200 THR 80 CA 0.0009 -0.0070 0.0076 201 THR 80 CB 0.0007 -0.0051 0.0076 202 THR 80 CG2 -0.0005 -0.0045 0.0083 203 THR 80 OG1 0.0002 -0.0046 0.0078 204 THR 80 HG1 -0.0008 -0.0047 0.0085 205 THR 80 C 0.0022 -0.0074 0.0068 206 THR 80 O 0.0034 -0.0073 0.0060 207 MET 81 N -0.0005 -0.0019 0.0071 208 MET 81 H -0.0007 -0.0018 0.0071 209 MET 81 CA -0.0014 -0.0017 0.0077 210 MET 81 CB -0.0017 -0.0017 0.0091 211 MET 81 CG -0.0005 -0.0021 0.0099 212 MET 81 SD -0.0007 -0.0023 0.0116 213 MET 81 CE 0.0010 -0.0028 0.0118 214 MET 81 C -0.0026 -0.0012 0.0070 215 MET 81 O -0.0029 -0.0011 0.0065 216 PRO 82 N -0.0032 -0.0011 0.0068 217 PRO 82 CA -0.0044 -0.0006 0.0062 218 PRO 82 CB -0.0046 -0.0005 0.0058 219 PRO 82 CG -0.0037 -0.0009 0.0067 220 PRO 82 CD -0.0027 -0.0012 0.0069 221 PRO 82 C -0.0054 -0.0004 0.0071 222 PRO 82 O -0.0054 -0.0005 0.0083 223 LEU 83 N -0.0010 0.0031 0.0070 224 LEU 83 H -0.0011 0.0030 0.0070 225 LEU 83 CA -0.0009 0.0035 0.0067 226 LEU 83 CB -0.0011 0.0035 0.0060 227 LEU 83 CG -0.0014 0.0030 0.0057 228 LEU 83 CD1 -0.0015 0.0031 0.0050 229 LEU 83 CD2 -0.0015 0.0028 0.0057 230 LEU 83 C -0.0006 0.0040 0.0069 231 LEU 83 O -0.0006 0.0040 0.0070 232 SER 84 N -0.0004 0.0045 0.0069 233 SER 84 H -0.0005 0.0045 0.0068 234 SER 84 CA -0.0001 0.0050 0.0071 235 SER 84 CB 0.0001 0.0052 0.0076 236 SER 84 OG 0.0004 0.0058 0.0078 237 SER 84 HG 0.0005 0.0059 0.0079 238 SER 84 C -0.0001 0.0055 0.0066 239 SER 84 O -0.0001 0.0056 0.0063 240 CYS 85 N 0.0009 0.0072 0.0079 241 CYS 85 H 0.0010 0.0068 0.0084 242 CYS 85 CA 0.0009 0.0078 0.0072 243 CYS 85 CB 0.0001 0.0074 0.0067 244 CYS 85 SG -0.0007 0.0069 0.0061 245 CYS 85 C 0.0015 0.0083 0.0076 246 CYS 85 O 0.0017 0.0079 0.0083 247 THR 86 N 0.0017 0.0092 0.0071 248 THR 86 H 0.0015 0.0095 0.0066 249 THR 86 CA 0.0023 0.0097 0.0074 250 THR 86 CB 0.0029 0.0106 0.0073 251 THR 86 CG2 0.0034 0.0112 0.0075 252 THR 86 OG1 0.0032 0.0105 0.0079 253 THR 86 HG1 0.0035 0.0110 0.0077 254 THR 86 C 0.0019 0.0099 0.0067 255 THR 86 O 0.0016 0.0103 0.0060 256 LYS 87 N 0.0012 0.0119 0.0080 257 LYS 87 H 0.0023 0.0108 0.0079 258 LYS 87 CA -0.0011 0.0114 0.0073 259 LYS 87 CB -0.0013 0.0089 0.0066 260 LYS 87 CG -0.0037 0.0082 0.0058 261 LYS 87 CD -0.0038 0.0057 0.0051 262 LYS 87 CE -0.0061 0.0049 0.0043 263 LYS 87 NZ -0.0059 0.0025 0.0037 264 LYS 87 HZ1 -0.0051 0.0019 0.0037 265 LYS 87 HZ2 -0.0050 0.0020 0.0037 266 LYS 87 HZ3 -0.0075 0.0020 0.0031 267 LYS 87 C -0.0019 0.0124 0.0074 268 LYS 87 O -0.0036 0.0135 0.0073 269 ASN 88 N -0.0007 0.0119 0.0076 270 ASN 88 H 0.0007 0.0111 0.0077 271 ASN 88 CA -0.0012 0.0127 0.0077 272 ASN 88 CB -0.0023 0.0110 0.0069 273 ASN 88 CG -0.0046 0.0106 0.0063 274 ASN 88 OD1 -0.0060 0.0121 0.0063 275 ASN 88 ND2 -0.0049 0.0087 0.0056 276 ASN 88 1HD2 -0.0064 0.0084 0.0052 277 ASN 88 2HD2 -0.0037 0.0075 0.0056 278 ASN 88 C 0.0010 0.0132 0.0083 279 ASN 88 O 0.0027 0.0130 0.0087 280 ASN 89 N 0.0012 0.0102 0.0106 281 ASN 89 H 0.0000 0.0098 0.0109 282 ASN 89 CA 0.0032 0.0103 0.0102 283 ASN 89 CB 0.0033 0.0101 0.0101 284 ASN 89 CG 0.0024 0.0120 0.0105 285 ASN 89 OD1 0.0023 0.0138 0.0107 286 ASN 89 ND2 0.0019 0.0117 0.0106 287 ASN 89 1HD2 0.0013 0.0129 0.0108 288 ASN 89 2HD2 0.0021 0.0103 0.0104 289 ASN 89 C 0.0045 0.0086 0.0097 290 ASN 89 O 0.0063 0.0090 0.0093 291 SER 90 N 0.0036 0.0067 0.0097 292 SER 90 H 0.0021 0.0064 0.0101 293 SER 90 CA 0.0046 0.0048 0.0093 294 SER 90 CB 0.0036 0.0028 0.0094 295 SER 90 OG 0.0015 0.0027 0.0099 296 SER 90 HG 0.0008 0.0020 0.0100 297 SER 90 C 0.0047 0.0047 0.0093 298 SER 90 O 0.0064 0.0043 0.0089 299 HIS 91 N 0.0028 0.0056 0.0077 300 HIS 91 H 0.0016 0.0060 0.0078 301 HIS 91 CA 0.0030 0.0051 0.0076 302 HIS 91 CB 0.0013 0.0042 0.0074 303 HIS 91 CG 0.0010 0.0024 0.0070 304 HIS 91 ND1 0.0017 0.0009 0.0066 305 HIS 91 CE1 0.0011 -0.0005 0.0063 306 HIS 91 NE2 -0.0000 0.0000 0.0065 307 HIS 91 CD2 -0.0001 0.0018 0.0069 308 HIS 91 C 0.0034 0.0066 0.0079 309 HIS 91 O 0.0026 0.0079 0.0083 310 HIS 92 N 0.0049 0.0063 0.0078 311 HIS 92 H 0.0056 0.0052 0.0076 312 HIS 92 CA 0.0055 0.0075 0.0081 313 HIS 92 CB 0.0074 0.0082 0.0082 314 HIS 92 CG 0.0074 0.0092 0.0085 315 HIS 92 ND1 0.0069 0.0109 0.0089 316 HIS 92 CE1 0.0071 0.0112 0.0089 317 HIS 92 NE2 0.0077 0.0098 0.0086 318 HIS 92 CD2 0.0079 0.0085 0.0083 319 HIS 92 C 0.0057 0.0066 0.0079 320 HIS 92 O 0.0060 0.0050 0.0075 321 TYR 93 N 0.0014 0.0046 0.0034 322 TYR 93 H 0.0013 0.0051 0.0032 323 TYR 93 CA 0.0010 0.0044 0.0036 324 TYR 93 CB 0.0001 0.0043 0.0039 325 TYR 93 CG 0.0001 0.0035 0.0043 326 TYR 93 CD1 0.0001 0.0035 0.0043 327 TYR 93 CE1 0.0000 0.0028 0.0046 328 TYR 93 CZ -0.0000 0.0021 0.0049 329 TYR 93 OH -0.0001 0.0014 0.0052 330 TYR 93 HH 0.0001 0.0010 0.0054 331 TYR 93 CE2 -0.0000 0.0021 0.0049 332 TYR 93 CD2 0.0000 0.0028 0.0046 333 TYR 93 C 0.0010 0.0050 0.0033 334 TYR 93 O 0.0008 0.0057 0.0031 335 ILE 94 N 0.0012 0.0048 0.0034 336 ILE 94 H 0.0013 0.0042 0.0036 337 ILE 94 CA 0.0012 0.0053 0.0032 338 ILE 94 CB 0.0019 0.0051 0.0030 339 ILE 94 CG2 0.0019 0.0056 0.0028 340 ILE 94 CG1 0.0027 0.0052 0.0027 341 ILE 94 CD1 0.0035 0.0049 0.0026 342 ILE 94 C 0.0005 0.0050 0.0035 343 ILE 94 O 0.0004 0.0044 0.0038 344 ARG 95 N -0.0033 0.0024 -0.0003 345 ARG 95 H -0.0032 0.0026 -0.0002 346 ARG 95 CA -0.0033 0.0022 -0.0005 347 ARG 95 CB -0.0036 0.0023 -0.0007 348 ARG 95 CG -0.0036 0.0025 -0.0005 349 ARG 95 CD -0.0039 0.0026 -0.0007 350 ARG 95 NE -0.0039 0.0028 -0.0006 351 ARG 95 HE -0.0038 0.0029 -0.0004 352 ARG 95 CZ -0.0041 0.0029 -0.0007 353 ARG 95 NH1 -0.0043 0.0027 -0.0009 354 ARG 95 1HH1 -0.0042 0.0025 -0.0010 355 ARG 95 2HH1 -0.0044 0.0028 -0.0010 356 ARG 95 NH2 -0.0042 0.0031 -0.0006 357 ARG 95 1HH2 -0.0041 0.0032 -0.0004 358 ARG 95 2HH2 -0.0043 0.0031 -0.0007 359 ARG 95 C -0.0031 0.0021 -0.0004 360 ARG 95 O -0.0030 0.0022 -0.0002 361 VAL 96 N -0.0030 0.0018 -0.0005 362 VAL 96 H -0.0031 0.0017 -0.0007 363 VAL 96 CA -0.0028 0.0017 -0.0005 364 VAL 96 CB -0.0026 0.0015 -0.0004 365 VAL 96 CG1 -0.0024 0.0014 -0.0004 366 VAL 96 CG2 -0.0024 0.0016 -0.0002 367 VAL 96 C -0.0030 0.0015 -0.0007 368 VAL 96 O -0.0030 0.0013 -0.0009 369 GLY 97 N -0.0034 0.0014 -0.0010 370 GLY 97 H -0.0031 0.0028 -0.0008 371 GLY 97 CA -0.0051 0.0015 0.0003 372 GLY 97 C -0.0068 -0.0006 0.0009 373 GLY 97 O -0.0072 -0.0016 0.0008 374 ASN 98 N -0.0080 -0.0014 0.0016 375 ASN 98 H -0.0078 -0.0005 0.0017 376 ASN 98 CA -0.0098 -0.0035 0.0021 377 ASN 98 CB -0.0118 -0.0028 0.0040 378 ASN 98 CG -0.0116 -0.0019 0.0042 379 ASN 98 OD1 -0.0101 -0.0017 0.0031 380 ASN 98 ND2 -0.0133 -0.0011 0.0059 381 ASN 98 1HD2 -0.0133 -0.0005 0.0061 382 ASN 98 2HD2 -0.0145 -0.0012 0.0068 383 ASN 98 C -0.0092 -0.0056 0.0009 384 ASN 98 O -0.0102 -0.0077 0.0008 385 GLU 99 N -0.0070 -0.0003 -0.0097 386 GLU 99 H -0.0059 -0.0002 -0.0087 387 GLU 99 CA -0.0062 -0.0021 -0.0109 388 GLU 99 CB -0.0040 -0.0037 -0.0109 389 GLU 99 CG -0.0041 -0.0046 -0.0118 390 GLU 99 CD -0.0017 -0.0063 -0.0118 391 GLU 99 OE1 -0.0001 -0.0069 -0.0111 392 GLU 99 OE2 -0.0017 -0.0071 -0.0125 393 GLU 99 C -0.0059 -0.0018 -0.0104 394 GLU 99 O -0.0065 -0.0027 -0.0117 395 THR 100 N -0.0049 -0.0006 -0.0084 396 THR 100 H -0.0045 0.0003 -0.0072 397 THR 100 CA -0.0045 -0.0004 -0.0079 398 THR 100 CB -0.0019 -0.0013 -0.0069 399 THR 100 CG2 -0.0015 -0.0013 -0.0065 400 THR 100 OG1 -0.0009 -0.0033 -0.0081 401 THR 100 HG1 -0.0010 -0.0032 -0.0081 402 THR 100 C -0.0057 0.0017 -0.0067 403 THR 100 O -0.0058 0.0031 -0.0054 404 GLY 101 N -0.0010 0.0006 -0.0017 405 GLY 101 H -0.0008 -0.0006 -0.0017 406 GLY 101 CA -0.0007 0.0009 -0.0019 407 GLY 101 C 0.0006 -0.0002 -0.0024 408 GLY 101 O 0.0011 -0.0015 -0.0024 409 LEU 102 N 0.0013 0.0004 -0.0027 410 LEU 102 H 0.0009 0.0014 -0.0026 411 LEU 102 CA 0.0026 -0.0005 -0.0031 412 LEU 102 CB 0.0041 0.0005 -0.0038 413 LEU 102 CG 0.0056 -0.0003 -0.0044 414 LEU 102 CD1 0.0059 -0.0019 -0.0044 415 LEU 102 CD2 0.0069 0.0010 -0.0051 416 LEU 102 C 0.0022 -0.0005 -0.0030 417 LEU 102 O 0.0018 0.0008 -0.0029 418 GLU 103 N 0.0072 0.0002 0.0023 419 GLU 103 H 0.0075 -0.0008 0.0021 420 GLU 103 CA 0.0065 0.0006 0.0024 421 GLU 103 CB 0.0055 -0.0005 0.0020 422 GLU 103 CG 0.0047 -0.0002 0.0021 423 GLU 103 CD 0.0037 -0.0014 0.0017 424 GLU 103 OE1 0.0039 -0.0021 0.0016 425 GLU 103 OE2 0.0027 -0.0017 0.0016 426 GLU 103 C 0.0077 0.0008 0.0025 427 GLU 103 O 0.0087 -0.0000 0.0023 428 LEU 104 N 0.0076 0.0019 0.0027 429 LEU 104 H 0.0068 0.0026 0.0029 430 LEU 104 CA 0.0086 0.0022 0.0029 431 LEU 104 CB 0.0096 0.0035 0.0032 432 LEU 104 CG 0.0109 0.0036 0.0033 433 LEU 104 CD1 0.0122 0.0041 0.0035 434 LEU 104 CD2 0.0106 0.0045 0.0035 435 LEU 104 C 0.0077 0.0024 0.0029 436 LEU 104 O 0.0068 0.0034 0.0031 437 THR 105 N 0.0109 0.0001 0.0034 438 THR 105 H 0.0119 -0.0007 0.0024 439 THR 105 CA 0.0087 -0.0004 0.0036 440 THR 105 CB 0.0075 -0.0019 0.0024 441 THR 105 CG2 0.0052 -0.0024 0.0025 442 THR 105 OG1 0.0073 -0.0016 0.0027 443 THR 105 HG1 0.0071 -0.0027 0.0017 444 THR 105 C 0.0089 -0.0006 0.0033 445 THR 105 O 0.0103 -0.0013 0.0022 446 LEU 106 N 0.0076 0.0002 0.0044 447 LEU 106 H 0.0065 0.0008 0.0053 448 LEU 106 CA 0.0074 0.0000 0.0043 449 LEU 106 CB 0.0068 0.0015 0.0059 450 LEU 106 CG 0.0085 0.0031 0.0070 451 LEU 106 CD1 0.0075 0.0045 0.0087 452 LEU 106 CD2 0.0107 0.0030 0.0063 453 LEU 106 C 0.0055 -0.0014 0.0034 454 LEU 106 O 0.0037 -0.0013 0.0039 455 THR 107 N 0.0063 -0.0045 0.0015 456 THR 107 H 0.0075 -0.0043 0.0006 457 THR 107 CA 0.0040 -0.0056 -0.0004 458 THR 107 CB 0.0051 -0.0057 -0.0024 459 THR 107 CG2 0.0077 -0.0054 -0.0047 460 THR 107 OG1 0.0028 -0.0067 -0.0040 461 THR 107 HG1 0.0036 -0.0066 -0.0048 462 THR 107 C 0.0026 -0.0064 -0.0022 463 THR 107 O 0.0038 -0.0061 -0.0026 464 ASN 108 N -0.0001 -0.0074 -0.0032 465 ASN 108 H -0.0011 -0.0076 -0.0028 466 ASN 108 CA -0.0018 -0.0082 -0.0051 467 ASN 108 CB -0.0052 -0.0091 -0.0043 468 ASN 108 CG -0.0058 -0.0086 -0.0012 469 ASN 108 OD1 -0.0052 -0.0084 -0.0007 470 ASN 108 ND2 -0.0069 -0.0085 0.0011 471 ASN 108 1HD2 -0.0074 -0.0082 0.0032 472 ASN 108 2HD2 -0.0073 -0.0087 0.0006 473 ASN 108 C -0.0011 -0.0087 -0.0084 474 ASN 108 O -0.0016 -0.0093 -0.0103 475 THR 109 N 0.0010 -0.0063 -0.0095 476 THR 109 H 0.0017 -0.0069 -0.0099 477 THR 109 CA 0.0015 -0.0065 -0.0117 478 THR 109 CB 0.0023 -0.0068 -0.0146 479 THR 109 CG2 0.0028 -0.0069 -0.0169 480 THR 109 OG1 0.0007 -0.0052 -0.0154 481 THR 109 HG1 0.0015 -0.0057 -0.0168 482 THR 109 C 0.0032 -0.0082 -0.0108 483 THR 109 O 0.0049 -0.0098 -0.0102 484 SER 110 N 0.0027 -0.0077 -0.0107 485 SER 110 H 0.0013 -0.0064 -0.0112 486 SER 110 CA 0.0042 -0.0092 -0.0099 487 SER 110 CB 0.0030 -0.0083 -0.0087 488 SER 110 OG 0.0044 -0.0097 -0.0081 489 SER 110 HG 0.0036 -0.0090 -0.0075 490 SER 110 C 0.0056 -0.0102 -0.0125 491 SER 110 O 0.0049 -0.0092 -0.0147 492 ILE 111 N 0.0049 -0.0090 -0.0070 493 ILE 111 H 0.0049 -0.0098 -0.0063 494 ILE 111 CA 0.0057 -0.0091 -0.0079 495 ILE 111 CB 0.0068 -0.0102 -0.0080 496 ILE 111 CG2 0.0076 -0.0104 -0.0089 497 ILE 111 CG1 0.0072 -0.0103 -0.0085 498 ILE 111 CD1 0.0081 -0.0115 -0.0084 499 ILE 111 C 0.0053 -0.0089 -0.0076 500 ILE 111 O 0.0054 -0.0082 -0.0084 501 ILE 112 N 0.0049 -0.0095 -0.0065 502 ILE 112 H 0.0048 -0.0100 -0.0059 503 ILE 112 CA 0.0045 -0.0094 -0.0062 504 ILE 112 CB 0.0048 -0.0106 -0.0053 505 ILE 112 CG2 0.0045 -0.0106 -0.0050 506 ILE 112 CG1 0.0060 -0.0115 -0.0059 507 ILE 112 CD1 0.0064 -0.0128 -0.0050 508 ILE 112 C 0.0034 -0.0085 -0.0056 509 ILE 112 O 0.0027 -0.0086 -0.0048 510 SER 113 N -0.0023 -0.0049 -0.0089 511 SER 113 H -0.0042 -0.0081 -0.0087 512 SER 113 CA 0.0016 -0.0030 -0.0051 513 SER 113 CB 0.0019 -0.0047 -0.0030 514 SER 113 OG -0.0002 -0.0098 -0.0010 515 SER 113 HG 0.0000 -0.0106 0.0000 516 SER 113 C 0.0034 -0.0043 -0.0011 517 SER 113 O 0.0067 -0.0013 0.0009 518 HIS 114 N 0.0012 -0.0088 -0.0000 519 HIS 114 H -0.0015 -0.0110 -0.0018 520 HIS 114 CA 0.0022 -0.0111 0.0037 521 HIS 114 CB -0.0007 -0.0166 0.0048 522 HIS 114 CG -0.0009 -0.0191 0.0070 523 HIS 114 ND1 0.0018 -0.0197 0.0116 524 HIS 114 CE1 0.0006 -0.0222 0.0122 525 HIS 114 NE2 -0.0027 -0.0232 0.0084 526 HIS 114 CD2 -0.0037 -0.0213 0.0051 527 HIS 114 C 0.0027 -0.0092 0.0027 528 HIS 114 O 0.0017 -0.0067 -0.0014 529 LYS 115 N -0.0086 -0.0068 0.0062 530 LYS 115 H -0.0066 -0.0100 0.0061 531 LYS 115 CA -0.0055 -0.0031 0.0089 532 LYS 115 CB -0.0015 -0.0015 0.0115 533 LYS 115 CG -0.0040 0.0018 0.0113 534 LYS 115 CD -0.0001 0.0035 0.0138 535 LYS 115 CE -0.0027 0.0066 0.0136 536 LYS 115 NZ 0.0012 0.0081 0.0160 537 LYS 115 HZ1 0.0037 0.0046 0.0161 538 LYS 115 HZ2 0.0033 0.0108 0.0180 539 LYS 115 HZ3 -0.0005 0.0098 0.0157 540 LYS 115 C -0.0026 -0.0056 0.0096 541 LYS 115 O 0.0002 -0.0029 0.0119 542 PHE 116 N -0.0033 -0.0107 0.0075 543 PHE 116 H -0.0057 -0.0127 0.0057 544 PHE 116 CA -0.0009 -0.0138 0.0077 545 PHE 116 CB -0.0021 -0.0197 0.0052 546 PHE 116 CG 0.0007 -0.0230 0.0055 547 PHE 116 CD1 -0.0018 -0.0240 0.0039 548 PHE 116 CE1 0.0008 -0.0271 0.0042 549 PHE 116 CZ 0.0059 -0.0292 0.0061 550 PHE 116 CE2 0.0085 -0.0282 0.0077 551 PHE 116 CD2 0.0059 -0.0251 0.0074 552 PHE 116 C -0.0024 -0.0114 0.0078 553 PHE 116 O -0.0068 -0.0093 0.0063 554 CYS 117 N -0.0049 0.0004 0.0072 555 CYS 117 H -0.0070 0.0012 0.0076 556 CYS 117 CA -0.0043 -0.0020 0.0065 557 CYS 117 CB -0.0060 -0.0049 0.0059 558 CYS 117 SG -0.0050 -0.0061 0.0055 559 CYS 117 C -0.0053 -0.0014 0.0067 560 CYS 117 O -0.0059 -0.0035 0.0062 561 ASN 118 N -0.0056 0.0015 0.0075 562 ASN 118 H -0.0051 0.0032 0.0079 563 ASN 118 CA -0.0066 0.0022 0.0078 564 ASN 118 CB -0.0073 0.0056 0.0088 565 ASN 118 CG -0.0086 0.0062 0.0091 566 ASN 118 OD1 -0.0110 0.0050 0.0090 567 ASN 118 ND2 -0.0070 0.0082 0.0095 568 ASN 118 1HD2 -0.0078 0.0089 0.0097 569 ASN 118 2HD2 -0.0051 0.0092 0.0095 570 ASN 118 C -0.0045 0.0013 0.0074 571 ASN 118 O -0.0017 0.0019 0.0073 572 LEU 119 N 0.0025 0.0045 0.0110 573 LEU 119 H -0.0005 0.0036 0.0122 574 LEU 119 CA 0.0043 0.0020 0.0091 575 LEU 119 CB 0.0040 -0.0028 0.0074 576 LEU 119 CG 0.0064 -0.0037 0.0059 577 LEU 119 CD1 0.0055 -0.0085 0.0046 578 LEU 119 CD2 0.0111 -0.0021 0.0040 579 LEU 119 C 0.0027 0.0021 0.0100 580 LEU 119 O 0.0046 0.0007 0.0085 581 SER 120 N -0.0007 0.0039 0.0124 582 SER 120 H -0.0021 0.0051 0.0136 583 SER 120 CA -0.0026 0.0040 0.0135 584 SER 120 CB -0.0067 0.0059 0.0163 585 SER 120 OG -0.0096 0.0031 0.0167 586 SER 120 HG -0.0120 0.0044 0.0185 587 SER 120 C -0.0000 0.0066 0.0131 588 SER 120 O 0.0003 0.0050 0.0123 589 ASP 121 N 0.0014 0.0093 0.0110 590 ASP 121 H 0.0003 0.0104 0.0116 591 ASP 121 CA 0.0044 0.0123 0.0099 592 ASP 121 CB 0.0047 0.0171 0.0102 593 ASP 121 CG 0.0006 0.0195 0.0123 594 ASP 121 OD1 -0.0009 0.0198 0.0130 595 ASP 121 OD2 -0.0013 0.0210 0.0132 596 ASP 121 C 0.0086 0.0103 0.0077 597 ASP 121 O 0.0110 0.0110 0.0067 598 ALA 122 N 0.0096 0.0077 0.0071 599 ALA 122 H 0.0076 0.0072 0.0080 600 ALA 122 CA 0.0135 0.0055 0.0051 601 ALA 122 CB 0.0138 0.0029 0.0048 602 ALA 122 C 0.0140 0.0018 0.0046 603 ALA 122 O 0.0173 0.0015 0.0030 604 HIS 123 N 0.0120 0.0077 0.0104 605 HIS 123 H 0.0076 0.0095 0.0146 606 HIS 123 CA 0.0149 -0.0008 0.0112 607 HIS 123 CB 0.0103 -0.0052 0.0187 608 HIS 123 CG 0.0131 -0.0143 0.0201 609 HIS 123 ND1 0.0147 -0.0184 0.0202 610 HIS 123 CE1 0.0170 -0.0265 0.0216 611 HIS 123 NE2 0.0169 -0.0278 0.0224 612 HIS 123 CD2 0.0144 -0.0202 0.0214 613 HIS 123 C 0.0187 -0.0016 0.0073 614 HIS 123 O 0.0234 -0.0073 0.0046 615 LYS 124 N 0.0167 0.0042 0.0067 616 LYS 124 H 0.0128 0.0087 0.0090 617 LYS 124 CA 0.0197 0.0045 0.0031 618 LYS 124 CB 0.0161 0.0116 0.0037 619 LYS 124 CG 0.0105 0.0107 0.0106 620 LYS 124 CD 0.0072 0.0181 0.0108 621 LYS 124 CE 0.0015 0.0177 0.0176 622 LYS 124 NZ -0.0013 0.0252 0.0171 623 LYS 124 HZ1 -0.0035 0.0299 0.0172 624 LYS 124 HZ2 0.0019 0.0266 0.0126 625 LYS 124 HZ3 -0.0043 0.0242 0.0211 626 LYS 124 C 0.0256 0.0056 -0.0044 627 LYS 124 O 0.0297 0.0027 -0.0076 628 LYS 125 N 0.0165 0.0024 0.0028 629 LYS 125 H 0.0166 0.0051 0.0042 630 LYS 125 CA 0.0112 0.0017 0.0003 631 LYS 125 CB 0.0068 0.0045 -0.0001 632 LYS 125 CG 0.0067 0.0026 -0.0011 633 LYS 125 CD 0.0050 -0.0027 -0.0043 634 LYS 125 CE 0.0047 -0.0045 -0.0053 635 LYS 125 NZ 0.0033 -0.0097 -0.0084 636 LYS 125 HZ1 0.0025 -0.0106 -0.0092 637 LYS 125 HZ2 -0.0001 -0.0098 -0.0098 638 LYS 125 HZ3 0.0064 -0.0123 -0.0085 639 LYS 125 C 0.0099 0.0037 0.0008 640 LYS 125 O 0.0106 0.0081 0.0032 641 ASN 126 N 0.0076 0.0006 -0.0016 642 ASN 126 H 0.0071 -0.0029 -0.0036 643 ASN 126 CA 0.0061 0.0018 -0.0017 644 ASN 126 CB 0.0042 -0.0028 -0.0047 645 ASN 126 CG 0.0088 -0.0071 -0.0049 646 ASN 126 OD1 0.0135 -0.0064 -0.0027 647 ASN 126 ND2 0.0076 -0.0118 -0.0078 648 ASN 126 1HD2 0.0104 -0.0148 -0.0081 649 ASN 126 2HD2 0.0038 -0.0123 -0.0096 650 ASN 126 C 0.0016 0.0063 -0.0013 651 ASN 126 O 0.0013 0.0094 0.0001 652 LEU 127 N -0.0053 0.0044 0.0037 653 LEU 127 H -0.0046 0.0031 0.0041 654 LEU 127 CA -0.0058 0.0051 0.0035 655 LEU 127 CB -0.0057 0.0035 0.0043 656 LEU 127 CG -0.0072 0.0021 0.0054 657 LEU 127 CD1 -0.0068 0.0005 0.0061 658 LEU 127 CD2 -0.0093 0.0031 0.0056 659 LEU 127 C -0.0046 0.0064 0.0024 660 LEU 127 O -0.0051 0.0073 0.0022 661 TYR 128 N -0.0029 0.0067 0.0018 662 TYR 128 H -0.0025 0.0060 0.0020 663 TYR 128 CA -0.0015 0.0079 0.0008 664 TYR 128 CB 0.0002 0.0077 0.0004 665 TYR 128 CG 0.0019 0.0087 -0.0007 666 TYR 128 CD1 0.0032 0.0082 -0.0008 667 TYR 128 CE1 0.0048 0.0091 -0.0018 668 TYR 128 CZ 0.0052 0.0106 -0.0026 669 TYR 128 OH 0.0068 0.0115 -0.0035 670 TYR 128 HH 0.0075 0.0110 -0.0035 671 TYR 128 CE2 0.0038 0.0110 -0.0024 672 TYR 128 CD2 0.0022 0.0101 -0.0015 673 TYR 128 C -0.0025 0.0098 0.0001 674 TYR 128 O -0.0034 0.0105 0.0001 675 ASP 129 N -0.0051 0.0132 -0.0147 676 ASP 129 H -0.0031 0.0137 -0.0145 677 ASP 129 CA -0.0061 0.0129 -0.0174 678 ASP 129 CB -0.0044 0.0133 -0.0191 679 ASP 129 CG -0.0058 0.0128 -0.0219 680 ASP 129 OD1 -0.0082 0.0122 -0.0224 681 ASP 129 OD2 -0.0044 0.0132 -0.0235 682 ASP 129 C -0.0063 0.0128 -0.0190 683 ASP 129 O -0.0042 0.0133 -0.0196 684 HIS 130 N -0.0088 0.0121 -0.0198 685 HIS 130 H -0.0103 0.0117 -0.0193 686 HIS 130 CA -0.0094 0.0119 -0.0213 687 HIS 130 CB -0.0125 0.0111 -0.0211 688 HIS 130 CG -0.0133 0.0109 -0.0183 689 HIS 130 ND1 -0.0125 0.0112 -0.0171 690 HIS 130 CE1 -0.0137 0.0109 -0.0145 691 HIS 130 NE2 -0.0152 0.0106 -0.0140 692 HIS 130 CD2 -0.0150 0.0105 -0.0164 693 HIS 130 C -0.0086 0.0120 -0.0243 694 HIS 130 O -0.0080 0.0121 -0.0256 695 THR 131 N -0.0086 0.0093 -0.0209 696 THR 131 H -0.0085 0.0097 -0.0202 697 THR 131 CA -0.0080 0.0087 -0.0219 698 THR 131 CB -0.0075 0.0088 -0.0215 699 THR 131 CG2 -0.0068 0.0082 -0.0225 700 THR 131 OG1 -0.0085 0.0092 -0.0212 701 THR 131 HG1 -0.0081 0.0094 -0.0206 702 THR 131 C -0.0069 0.0084 -0.0223 703 THR 131 O -0.0069 0.0079 -0.0233 704 LEU 132 N -0.0060 0.0086 -0.0214 705 LEU 132 H -0.0061 0.0090 -0.0205 706 LEU 132 CA -0.0049 0.0083 -0.0216 707 LEU 132 CB -0.0039 0.0085 -0.0205 708 LEU 132 CG -0.0031 0.0085 -0.0203 709 LEU 132 CD1 -0.0022 0.0088 -0.0192 710 LEU 132 CD2 -0.0025 0.0078 -0.0214 711 LEU 132 C -0.0053 0.0082 -0.0219 712 LEU 132 O -0.0048 0.0077 -0.0227 713 MET 133 N -0.0052 0.0121 -0.0168 714 MET 133 H -0.0053 0.0118 -0.0168 715 MET 133 CA -0.0056 0.0122 -0.0156 716 MET 133 CB -0.0061 0.0120 -0.0145 717 MET 133 CG -0.0058 0.0131 -0.0141 718 MET 133 SD -0.0053 0.0146 -0.0137 719 MET 133 CE -0.0060 0.0143 -0.0123 720 MET 133 C -0.0059 0.0114 -0.0155 721 MET 133 O -0.0060 0.0119 -0.0148 722 SER 134 N -0.0061 0.0103 -0.0163 723 SER 134 H -0.0060 0.0100 -0.0169 724 SER 134 CA -0.0064 0.0096 -0.0163 725 SER 134 CB -0.0066 0.0083 -0.0171 726 SER 134 OG -0.0072 0.0076 -0.0165 727 SER 134 HG -0.0074 0.0067 -0.0168 728 SER 134 C -0.0059 0.0102 -0.0168 729 SER 134 O -0.0062 0.0103 -0.0163 730 ILE 135 N -0.0057 0.0086 -0.0134 731 ILE 135 H -0.0057 0.0088 -0.0128 732 ILE 135 CA -0.0053 0.0079 -0.0135 733 ILE 135 CB -0.0051 0.0077 -0.0126 734 ILE 135 CG2 -0.0046 0.0069 -0.0128 735 ILE 135 CG1 -0.0055 0.0083 -0.0123 736 ILE 135 CD1 -0.0054 0.0082 -0.0113 737 ILE 135 C -0.0049 0.0073 -0.0140 738 ILE 135 O -0.0047 0.0069 -0.0146 739 ILE 136 N -0.0048 0.0071 -0.0136 740 ILE 136 H -0.0050 0.0074 -0.0131 741 ILE 136 CA -0.0044 0.0065 -0.0139 742 ILE 136 CB -0.0043 0.0064 -0.0133 743 ILE 136 CG2 -0.0040 0.0058 -0.0136 744 ILE 136 CG1 -0.0042 0.0061 -0.0124 745 ILE 136 CD1 -0.0042 0.0061 -0.0115 746 ILE 136 C -0.0045 0.0066 -0.0149 747 ILE 136 O -0.0042 0.0061 -0.0154 748 SER 137 N -0.0064 0.0079 -0.0119 749 SER 137 H -0.0050 0.0084 -0.0121 750 SER 137 CA -0.0072 0.0078 -0.0120 751 SER 137 CB -0.0058 0.0085 -0.0124 752 SER 137 OG -0.0055 0.0097 -0.0140 753 SER 137 HG -0.0043 0.0101 -0.0140 754 SER 137 C -0.0077 0.0065 -0.0104 755 SER 137 O -0.0092 0.0061 -0.0103 756 THR 138 N -0.0064 0.0058 -0.0092 757 THR 138 H -0.0052 0.0061 -0.0093 758 THR 138 CA -0.0067 0.0045 -0.0077 759 THR 138 CB -0.0050 0.0040 -0.0065 760 THR 138 CG2 -0.0053 0.0026 -0.0049 761 THR 138 OG1 -0.0034 0.0046 -0.0069 762 THR 138 HG1 -0.0030 0.0054 -0.0078 763 THR 138 C -0.0084 0.0038 -0.0073 764 THR 138 O -0.0096 0.0030 -0.0066 765 PHE 139 N -0.0056 0.0065 -0.0084 766 PHE 139 H -0.0057 0.0068 -0.0077 767 PHE 139 CA -0.0042 0.0062 -0.0086 768 PHE 139 CB -0.0030 0.0065 -0.0076 769 PHE 139 CG -0.0014 0.0063 -0.0077 770 PHE 139 CD1 -0.0005 0.0056 -0.0088 771 PHE 139 CE1 0.0009 0.0054 -0.0089 772 PHE 139 CZ 0.0015 0.0058 -0.0079 773 PHE 139 CE2 0.0006 0.0064 -0.0069 774 PHE 139 CD2 -0.0008 0.0067 -0.0068 775 PHE 139 C -0.0042 0.0063 -0.0084 776 PHE 139 O -0.0036 0.0058 -0.0092 777 HIS 140 N -0.0049 0.0069 -0.0073 778 HIS 140 H -0.0054 0.0073 -0.0067 779 HIS 140 CA -0.0050 0.0071 -0.0070 780 HIS 140 CB -0.0055 0.0079 -0.0055 781 HIS 140 CG -0.0053 0.0082 -0.0050 782 HIS 140 ND1 -0.0039 0.0081 -0.0047 783 HIS 140 CE1 -0.0041 0.0084 -0.0043 784 HIS 140 NE2 -0.0056 0.0086 -0.0043 785 HIS 140 CD2 -0.0063 0.0084 -0.0048 786 HIS 140 C -0.0059 0.0067 -0.0080 787 HIS 140 O -0.0055 0.0065 -0.0084 788 LEU 141 N -0.0047 0.0058 -0.0051 789 LEU 141 H -0.0032 0.0057 -0.0058 790 LEU 141 CA -0.0054 0.0046 -0.0036 791 LEU 141 CB -0.0037 0.0034 -0.0033 792 LEU 141 CG -0.0031 0.0041 -0.0044 793 LEU 141 CD1 -0.0012 0.0028 -0.0042 794 LEU 141 CD2 -0.0049 0.0049 -0.0041 795 LEU 141 C -0.0062 0.0036 -0.0022 796 LEU 141 O -0.0077 0.0032 -0.0010 797 SER 142 N -0.0051 0.0032 -0.0023 798 SER 142 H -0.0039 0.0034 -0.0033 799 SER 142 CA -0.0057 0.0022 -0.0011 800 SER 142 CB -0.0039 0.0013 -0.0012 801 SER 142 OG -0.0032 0.0025 -0.0027 802 SER 142 HG -0.0023 0.0027 -0.0035 803 SER 142 C -0.0077 0.0031 -0.0009 804 SER 142 O -0.0085 0.0023 0.0003 805 ILE 143 N -0.0079 0.0039 -0.0029 806 ILE 143 H -0.0079 0.0047 -0.0027 807 ILE 143 CA -0.0081 0.0055 -0.0024 808 ILE 143 CB -0.0078 0.0083 -0.0022 809 ILE 143 CG2 -0.0082 0.0098 -0.0017 810 ILE 143 CG1 -0.0056 0.0089 -0.0037 811 ILE 143 CD1 -0.0051 0.0115 -0.0036 812 ILE 143 C -0.0104 0.0049 -0.0009 813 ILE 143 O -0.0117 0.0052 0.0001 814 PRO 144 N -0.0108 0.0040 -0.0008 815 PRO 144 CA -0.0128 0.0034 0.0005 816 PRO 144 CB -0.0125 0.0020 0.0001 817 PRO 144 CG -0.0104 0.0029 -0.0013 818 PRO 144 CD -0.0092 0.0037 -0.0020 819 PRO 144 C -0.0140 0.0056 0.0017 820 PRO 144 O -0.0130 0.0076 0.0014 821 ASN 145 N -0.0275 0.0021 0.0041 822 ASN 145 H -0.0289 -0.0006 0.0042 823 ASN 145 CA -0.0249 0.0037 0.0106 824 ASN 145 CB -0.0212 0.0107 0.0110 825 ASN 145 CG -0.0199 0.0144 0.0094 826 ASN 145 OD1 -0.0194 0.0135 0.0128 827 ASN 145 ND2 -0.0193 0.0187 0.0039 828 ASN 145 1HD2 -0.0185 0.0211 0.0024 829 ASN 145 2HD2 -0.0198 0.0193 0.0012 830 ASN 145 C -0.0259 0.0002 0.0133 831 ASN 145 O -0.0284 -0.0029 0.0097 832 PHE 146 N -0.0239 0.0005 0.0198 833 PHE 146 H -0.0219 0.0029 0.0226 834 PHE 146 CA -0.0246 -0.0027 0.0229 835 PHE 146 CB -0.0229 -0.0036 0.0306 836 PHE 146 CG -0.0239 -0.0076 0.0339 837 PHE 146 CD1 -0.0273 -0.0140 0.0334 838 PHE 146 CE1 -0.0283 -0.0179 0.0365 839 PHE 146 CZ -0.0261 -0.0154 0.0401 840 PHE 146 CE2 -0.0228 -0.0091 0.0406 841 PHE 146 CD2 -0.0217 -0.0052 0.0376 842 PHE 146 C -0.0234 0.0009 0.0207 843 PHE 146 O -0.0205 0.0064 0.0214 844 ASN 147 N -0.0140 0.0043 0.0023 845 ASN 147 H -0.0137 0.0050 0.0024 846 ASN 147 CA -0.0142 0.0037 0.0028 847 ASN 147 CB -0.0139 0.0043 0.0037 848 ASN 147 CG -0.0137 0.0045 0.0047 849 ASN 147 OD1 -0.0140 0.0037 0.0053 850 ASN 147 ND2 -0.0133 0.0055 0.0049 851 ASN 147 1HD2 -0.0132 0.0057 0.0056 852 ASN 147 2HD2 -0.0131 0.0061 0.0045 853 ASN 147 C -0.0144 0.0034 0.0019 854 ASN 147 O -0.0142 0.0040 0.0011 855 GLN 148 N -0.0148 0.0024 0.0020 856 GLN 148 H -0.0149 0.0019 0.0027 857 GLN 148 CA -0.0150 0.0020 0.0013 858 GLN 148 CB -0.0155 0.0008 0.0015 859 GLN 148 CG -0.0158 0.0002 0.0007 860 GLN 148 CD -0.0162 -0.0010 0.0010 861 GLN 148 OE1 -0.0163 -0.0015 0.0017 862 GLN 148 NE2 -0.0165 -0.0016 0.0003 863 GLN 148 1HE2 -0.0168 -0.0024 0.0004 864 GLN 148 2HE2 -0.0164 -0.0013 -0.0002 865 GLN 148 C -0.0148 0.0025 0.0015 866 GLN 148 O -0.0147 0.0026 0.0025 867 TYR 149 N -0.0141 -0.0068 -0.0099 868 TYR 149 H -0.0174 -0.0074 -0.0157 869 TYR 149 CA -0.0106 0.0003 -0.0104 870 TYR 149 CB -0.0120 0.0069 -0.0195 871 TYR 149 CG -0.0089 0.0133 -0.0200 872 TYR 149 CD1 -0.0119 0.0127 -0.0252 873 TYR 149 CE1 -0.0089 0.0189 -0.0257 874 TYR 149 CZ -0.0030 0.0256 -0.0210 875 TYR 149 OH 0.0000 0.0318 -0.0214 876 TYR 149 HH -0.0027 0.0300 -0.0249 877 TYR 149 CE2 0.0001 0.0263 -0.0158 878 TYR 149 CD2 -0.0029 0.0202 -0.0154 879 TYR 149 C -0.0110 -0.0029 -0.0079 880 TYR 149 O -0.0068 0.0015 -0.0042 881 GLU 150 N -0.0161 -0.0105 -0.0101 882 GLU 150 H -0.0195 -0.0138 -0.0133 883 GLU 150 CA -0.0172 -0.0146 -0.0080 884 GLU 150 CB -0.0236 -0.0224 -0.0125 885 GLU 150 CG -0.0276 -0.0199 -0.0226 886 GLU 150 CD -0.0337 -0.0282 -0.0260 887 GLU 150 OE1 -0.0362 -0.0345 -0.0246 888 GLU 150 OE2 -0.0359 -0.0284 -0.0300 889 GLU 150 C -0.0139 -0.0181 0.0018 890 GLU 150 O -0.0121 -0.0182 0.0053 891 ALA 151 N -0.0095 -0.0049 -0.0006 892 ALA 151 H -0.0102 -0.0053 -0.0009 893 ALA 151 CA -0.0082 -0.0060 0.0007 894 ALA 151 CB -0.0086 -0.0079 0.0014 895 ALA 151 C -0.0064 -0.0050 0.0013 896 ALA 151 O -0.0052 -0.0052 0.0020 897 MET 152 N -0.0061 -0.0040 0.0009 898 MET 152 H -0.0070 -0.0040 0.0003 899 MET 152 CA -0.0043 -0.0030 0.0014 900 MET 152 CB -0.0041 -0.0027 0.0014 901 MET 152 CG -0.0023 -0.0016 0.0019 902 MET 152 SD -0.0021 -0.0015 0.0020 903 MET 152 CE 0.0000 0.0002 0.0023 904 MET 152 C -0.0040 -0.0011 0.0007 905 MET 152 O -0.0051 -0.0001 -0.0005 906 SER 153 N 0.0025 -0.0069 -0.0004 907 SER 153 H 0.0028 -0.0072 -0.0003 908 SER 153 CA 0.0026 -0.0064 -0.0002 909 SER 153 CB 0.0028 -0.0064 -0.0001 910 SER 153 OG 0.0033 -0.0067 0.0000 911 SER 153 HG 0.0034 -0.0067 0.0001 912 SER 153 C 0.0029 -0.0063 -0.0001 913 SER 153 O 0.0032 -0.0066 0.0000 914 CYS 154 N 0.0029 -0.0058 0.0000 915 CYS 154 H 0.0026 -0.0055 -0.0000 916 CYS 154 CA 0.0031 -0.0056 0.0002 917 CYS 154 CB 0.0030 -0.0057 0.0001 918 CYS 154 SG 0.0024 -0.0053 -0.0001 919 CYS 154 C 0.0033 -0.0051 0.0004 920 CYS 154 O 0.0030 -0.0048 0.0003 921 ASP 155 N 0.0111 -0.0026 0.0027 922 ASP 155 H 0.0115 -0.0031 0.0024 923 ASP 155 CA 0.0113 -0.0019 0.0035 924 ASP 155 CB 0.0125 -0.0018 0.0038 925 ASP 155 CG 0.0130 -0.0016 0.0041 926 ASP 155 OD1 0.0124 -0.0015 0.0042 927 ASP 155 OD2 0.0140 -0.0017 0.0043 928 ASP 155 C 0.0109 -0.0019 0.0033 929 ASP 155 O 0.0110 -0.0025 0.0028 930 PHE 156 N 0.0103 -0.0013 0.0038 931 PHE 156 H 0.0102 -0.0008 0.0043 932 PHE 156 CA 0.0097 -0.0012 0.0038 933 PHE 156 CB 0.0086 -0.0012 0.0035 934 PHE 156 CG 0.0081 -0.0005 0.0040 935 PHE 156 CD1 0.0077 0.0002 0.0047 936 PHE 156 CE1 0.0073 0.0008 0.0051 937 PHE 156 CZ 0.0073 0.0005 0.0049 938 PHE 156 CE2 0.0078 -0.0002 0.0043 939 PHE 156 CD2 0.0082 -0.0008 0.0038 940 PHE 156 C 0.0099 -0.0004 0.0045 941 PHE 156 O 0.0094 -0.0003 0.0045 942 ASN 157 N 0.0128 -0.0076 0.0035 943 ASN 157 H 0.0126 -0.0094 0.0032 944 ASN 157 CA 0.0082 -0.0157 0.0029 945 ASN 157 CB 0.0036 -0.0255 0.0017 946 ASN 157 CG -0.0004 -0.0342 0.0007 947 ASN 157 OD1 0.0055 -0.0385 -0.0017 948 ASN 157 ND2 -0.0108 -0.0369 0.0027 949 ASN 157 1HD2 -0.0140 -0.0425 0.0022 950 ASN 157 2HD2 -0.0154 -0.0332 0.0047 951 ASN 157 C -0.0000 -0.0118 0.0058 952 ASN 157 O -0.0078 -0.0075 0.0087 953 GLY 158 N 0.0021 -0.0134 0.0049 954 GLY 158 H 0.0086 -0.0168 0.0025 955 GLY 158 CA -0.0045 -0.0105 0.0072 956 GLY 158 C -0.0055 0.0012 0.0101 957 GLY 158 O -0.0132 0.0045 0.0128 958 GLY 159 N -0.0013 0.0026 0.0046 959 GLY 159 H 0.0001 0.0017 0.0035 960 GLY 159 CA -0.0021 0.0045 0.0023 961 GLY 159 C -0.0006 0.0031 0.0020 962 GLY 159 O -0.0013 0.0046 0.0002 963 LYS 160 N 0.0013 0.0004 0.0036 964 LYS 160 H 0.0019 -0.0008 0.0050 965 LYS 160 CA 0.0027 -0.0008 0.0031 966 LYS 160 CB 0.0041 -0.0035 0.0059 967 LYS 160 CG 0.0053 -0.0043 0.0050 968 LYS 160 CD 0.0066 -0.0068 0.0075 969 LYS 160 CE 0.0077 -0.0073 0.0061 970 LYS 160 NZ 0.0090 -0.0097 0.0085 971 LYS 160 HZ1 0.0075 -0.0093 0.0109 972 LYS 160 HZ2 0.0105 -0.0114 0.0089 973 LYS 160 HZ3 0.0097 -0.0100 0.0074 974 LYS 160 C 0.0049 -0.0015 -0.0003 975 LYS 160 O 0.0068 -0.0033 -0.0006 976 ILE 161 N 0.0057 0.0005 -0.0013 977 ILE 161 H 0.0045 0.0016 -0.0010 978 ILE 161 CA 0.0070 0.0002 -0.0042 979 ILE 161 CB 0.0059 0.0023 -0.0064 980 ILE 161 CG2 0.0074 0.0018 -0.0094 981 ILE 161 CG1 0.0038 0.0044 -0.0062 982 ILE 161 CD1 0.0023 0.0066 -0.0076 983 ILE 161 C 0.0090 -0.0018 -0.0044 984 ILE 161 O 0.0088 -0.0019 -0.0036 985 SER 162 N 0.0108 -0.0034 -0.0053 986 SER 162 H 0.0109 -0.0034 -0.0057 987 SER 162 CA 0.0128 -0.0054 -0.0057 988 SER 162 CB 0.0139 -0.0075 -0.0032 989 SER 162 OG 0.0127 -0.0072 -0.0006 990 SER 162 HG 0.0134 -0.0086 0.0009 991 SER 162 C 0.0142 -0.0058 -0.0085 992 SER 162 O 0.0148 -0.0063 -0.0086 993 VAL 163 N 0.0093 -0.0033 -0.0049 994 VAL 163 H 0.0094 -0.0034 -0.0043 995 VAL 163 CA 0.0090 -0.0035 -0.0052 996 VAL 163 CB 0.0094 -0.0033 -0.0049 997 VAL 163 CG1 0.0090 -0.0035 -0.0052 998 VAL 163 CG2 0.0101 -0.0027 -0.0051 999 VAL 163 C 0.0083 -0.0041 -0.0049 1000 VAL 163 O 0.0083 -0.0043 -0.0041 1001 GLN 164 N 0.0078 -0.0044 -0.0054 1002 GLN 164 H 0.0078 -0.0042 -0.0060 1003 GLN 164 CA 0.0071 -0.0049 -0.0053 1004 GLN 164 CB 0.0067 -0.0051 -0.0058 1005 GLN 164 CG 0.0060 -0.0057 -0.0057 1006 GLN 164 CD 0.0056 -0.0059 -0.0064 1007 GLN 164 OE1 0.0055 -0.0058 -0.0071 1008 GLN 164 NE2 0.0054 -0.0060 -0.0062 1009 GLN 164 1HE2 0.0052 -0.0061 -0.0067 1010 GLN 164 2HE2 0.0055 -0.0061 -0.0056 1011 GLN 164 C 0.0068 -0.0051 -0.0054 1012 GLN 164 O 0.0069 -0.0049 -0.0060 1013 TYR 165 N 0.0027 -0.0012 -0.0027 1014 TYR 165 H 0.0030 -0.0015 -0.0020 1015 TYR 165 CA 0.0023 -0.0018 -0.0037 1016 TYR 165 CB 0.0023 -0.0020 -0.0039 1017 TYR 165 CG 0.0020 -0.0009 -0.0041 1018 TYR 165 CD1 0.0023 -0.0002 -0.0032 1019 TYR 165 CE1 0.0020 0.0009 -0.0033 1020 TYR 165 CZ 0.0015 0.0013 -0.0044 1021 TYR 165 OH 0.0012 0.0024 -0.0046 1022 TYR 165 HH 0.0009 0.0026 -0.0054 1023 TYR 165 CE2 0.0012 0.0007 -0.0054 1024 TYR 165 CD2 0.0015 -0.0004 -0.0052 1025 TYR 165 C 0.0026 -0.0031 -0.0037 1026 TYR 165 O 0.0030 -0.0037 -0.0029 1027 ASN 166 N 0.0023 -0.0034 -0.0045 1028 ASN 166 H 0.0019 -0.0028 -0.0051 1029 ASN 166 CA 0.0024 -0.0046 -0.0046 1030 ASN 166 CB 0.0021 -0.0046 -0.0053 1031 ASN 166 CG 0.0023 -0.0059 -0.0054 1032 ASN 166 OD1 0.0023 -0.0068 -0.0057 1033 ASN 166 ND2 0.0025 -0.0058 -0.0049 1034 ASN 166 1HD2 0.0026 -0.0066 -0.0049 1035 ASN 166 2HD2 0.0025 -0.0050 -0.0046 1036 ASN 166 C 0.0023 -0.0054 -0.0052 1037 ASN 166 O 0.0019 -0.0052 -0.0061 1038 LEU 167 N 0.0019 0.0003 -0.0025 1039 LEU 167 H 0.0005 -0.0004 -0.0025 1040 LEU 167 CA 0.0018 0.0016 -0.0011 1041 LEU 167 CB 0.0004 0.0026 0.0008 1042 LEU 167 CG 0.0013 0.0037 0.0015 1043 LEU 167 CD1 -0.0003 0.0046 0.0033 1044 LEU 167 CD2 0.0037 0.0049 0.0015 1045 LEU 167 C 0.0008 0.0008 -0.0014 1046 LEU 167 O 0.0010 0.0017 -0.0005 1047 SER 168 N -0.0002 -0.0009 -0.0027 1048 SER 168 H -0.0003 -0.0017 -0.0035 1049 SER 168 CA -0.0012 -0.0017 -0.0030 1050 SER 168 CB -0.0030 -0.0035 -0.0040 1051 SER 168 OG -0.0047 -0.0034 -0.0029 1052 SER 168 HG -0.0057 -0.0046 -0.0036 1053 SER 168 C 0.0006 -0.0019 -0.0042 1054 SER 168 O 0.0015 -0.0030 -0.0058 1055 HIS 169 N 0.0005 0.0029 0.0001 1056 HIS 169 H 0.0008 0.0030 -0.0011 1057 HIS 169 CA 0.0007 0.0029 0.0002 1058 HIS 169 CB -0.0012 0.0029 -0.0003 1059 HIS 169 CG -0.0012 0.0029 -0.0001 1060 HIS 169 ND1 -0.0006 0.0030 -0.0014 1061 HIS 169 CE1 -0.0008 0.0029 -0.0007 1062 HIS 169 NE2 -0.0016 0.0028 0.0009 1063 HIS 169 CD2 -0.0018 0.0028 0.0013 1064 HIS 169 C 0.0021 0.0030 -0.0011 1065 HIS 169 O 0.0018 0.0031 -0.0028 1066 ALA 170 N 0.0038 0.0030 -0.0004 1067 ALA 170 H 0.0041 0.0029 0.0009 1068 ALA 170 CA 0.0053 0.0031 -0.0015 1069 ALA 170 CB 0.0067 0.0031 -0.0017 1070 ALA 170 C 0.0063 0.0030 -0.0008 1071 ALA 170 O 0.0075 0.0031 -0.0017 1072 TYR 171 N 0.0042 0.0051 -0.0043 1073 TYR 171 H 0.0032 0.0012 -0.0059 1074 TYR 171 CA 0.0064 0.0063 0.0008 1075 TYR 171 CB 0.0066 0.0014 0.0023 1076 TYR 171 CG 0.0050 0.0016 -0.0016 1077 TYR 171 CD1 0.0029 -0.0026 -0.0057 1078 TYR 171 CE1 0.0014 -0.0026 -0.0094 1079 TYR 171 CZ 0.0019 0.0016 -0.0091 1080 TYR 171 OH 0.0003 0.0017 -0.0128 1081 TYR 171 HH -0.0010 -0.0016 -0.0153 1082 TYR 171 CE2 0.0040 0.0058 -0.0050 1083 TYR 171 CD2 0.0055 0.0058 -0.0013 1084 TYR 171 C 0.0086 0.0068 0.0057 1085 TYR 171 O 0.0102 0.0111 0.0088 1086 ALA 172 N 0.0086 0.0026 0.0066 1087 ALA 172 H 0.0072 -0.0007 0.0041 1088 ALA 172 CA 0.0105 0.0027 0.0113 1089 ALA 172 CB 0.0105 -0.0035 0.0126 1090 ALA 172 C 0.0107 0.0070 0.0107 1091 ALA 172 O 0.0125 0.0106 0.0144 1092 VAL 173 N 0.0041 0.0046 -0.0101 1093 VAL 173 H 0.0031 0.0067 -0.0065 1094 VAL 173 CA 0.0047 0.0032 -0.0121 1095 VAL 173 CB 0.0027 0.0078 -0.0150 1096 VAL 173 CG1 0.0007 0.0122 -0.0107 1097 VAL 173 CG2 0.0036 0.0059 -0.0190 1098 VAL 173 C 0.0057 0.0010 -0.0071 1099 VAL 173 O 0.0052 0.0018 -0.0021 1100 ASP 174 N 0.0070 -0.0019 -0.0084 1101 ASP 174 H 0.0073 -0.0026 -0.0124 1102 ASP 174 CA 0.0079 -0.0042 -0.0040 1103 ASP 174 CB 0.0097 -0.0082 -0.0064 1104 ASP 174 CG 0.0110 -0.0110 -0.0018 1105 ASP 174 OD1 0.0125 -0.0145 -0.0036 1106 ASP 174 OD2 0.0105 -0.0100 0.0035 1107 ASP 174 C 0.0059 0.0003 -0.0014 1108 ASP 174 O 0.0046 0.0033 -0.0042 1109 ALA 175 N 0.0032 0.0032 0.0004 1110 ALA 175 H 0.0037 0.0014 0.0016 1111 ALA 175 CA 0.0030 0.0067 0.0036 1112 ALA 175 CB 0.0035 0.0073 0.0080 1113 ALA 175 C 0.0034 0.0058 0.0051 1114 ALA 175 O 0.0028 0.0091 0.0058 1115 ALA 176 N 0.0043 0.0013 0.0056 1116 ALA 176 H 0.0047 -0.0012 0.0050 1117 ALA 176 CA 0.0048 -0.0000 0.0070 1118 ALA 176 CB 0.0059 -0.0051 0.0085 1119 ALA 176 C 0.0041 0.0006 0.0033 1120 ALA 176 O 0.0039 0.0024 0.0044 1121 GLU 177 N 0.0045 -0.0043 0.0016 1122 GLU 177 H 0.0046 -0.0055 0.0010 1123 GLU 177 CA 0.0036 -0.0042 -0.0023 1124 GLU 177 CB 0.0036 -0.0075 -0.0064 1125 GLU 177 CG 0.0050 -0.0127 -0.0054 1126 GLU 177 CD 0.0056 -0.0143 -0.0043 1127 GLU 177 OE1 0.0048 -0.0136 -0.0071 1128 GLU 177 OE2 0.0068 -0.0162 -0.0005 1129 GLU 177 C 0.0021 0.0005 -0.0042 1130 GLU 177 O 0.0016 0.0017 -0.0053 1131 HIS 178 N 0.0014 0.0032 -0.0046 1132 HIS 178 H 0.0018 0.0022 -0.0037 1133 HIS 178 CA -0.0001 0.0077 -0.0066 1134 HIS 178 CB -0.0008 0.0092 -0.0083 1135 HIS 178 CG -0.0024 0.0131 -0.0115 1136 HIS 178 ND1 -0.0032 0.0178 -0.0101 1137 HIS 178 CE1 -0.0045 0.0201 -0.0141 1138 HIS 178 NE2 -0.0047 0.0173 -0.0179 1139 HIS 178 CD2 -0.0033 0.0129 -0.0162 1140 HIS 178 C -0.0002 0.0113 -0.0032 1141 HIS 178 O 0.0007 0.0113 0.0010 1142 CYS 179 N -0.0037 0.0090 -0.0014 1143 CYS 179 H -0.0048 0.0086 -0.0029 1144 CYS 179 CA -0.0035 0.0102 -0.0004 1145 CYS 179 CB -0.0037 0.0089 -0.0014 1146 CYS 179 SG -0.0020 0.0057 -0.0014 1147 CYS 179 C -0.0048 0.0128 -0.0004 1148 CYS 179 O -0.0045 0.0141 0.0008 1149 GLY 180 N -0.0062 0.0137 -0.0015 1150 GLY 180 H -0.0064 0.0126 -0.0024 1151 GLY 180 CA -0.0075 0.0161 -0.0016 1152 GLY 180 C -0.0072 0.0178 -0.0002 1153 GLY 180 O -0.0084 0.0198 -0.0005 1154 THR 181 N -0.0044 0.0171 0.0013 1155 THR 181 H -0.0043 0.0179 0.0007 1156 THR 181 CA -0.0045 0.0166 0.0016 1157 THR 181 CB -0.0043 0.0176 0.0010 1158 THR 181 CG2 -0.0036 0.0188 0.0016 1159 THR 181 OG1 -0.0048 0.0179 -0.0003 1160 THR 181 HG1 -0.0047 0.0184 -0.0006 1161 THR 181 C -0.0053 0.0154 0.0010 1162 THR 181 O -0.0058 0.0151 0.0002 1163 VAL 182 N -0.0053 0.0147 0.0015 1164 VAL 182 H -0.0049 0.0150 0.0022 1165 VAL 182 CA -0.0060 0.0135 0.0012 1166 VAL 182 CB -0.0059 0.0129 0.0020 1167 VAL 182 CG1 -0.0066 0.0117 0.0015 1168 VAL 182 CG2 -0.0054 0.0126 0.0034 1169 VAL 182 C -0.0065 0.0137 -0.0002 1170 VAL 182 O -0.0072 0.0130 -0.0009 1171 ALA 183 N -0.0015 0.0146 0.0008 1172 ALA 183 H -0.0019 0.0148 0.0008 1173 ALA 183 CA -0.0010 0.0145 0.0006 1174 ALA 183 CB -0.0012 0.0148 0.0006 1175 ALA 183 C -0.0007 0.0139 0.0009 1176 ALA 183 O -0.0002 0.0138 0.0008 1177 ASN 184 N -0.0012 0.0136 0.0012 1178 ASN 184 H -0.0016 0.0137 0.0013 1179 ASN 184 CA -0.0010 0.0129 0.0015 1180 ASN 184 CB -0.0015 0.0126 0.0019 1181 ASN 184 CG -0.0017 0.0128 0.0019 1182 ASN 184 OD1 -0.0014 0.0130 0.0017 1183 ASN 184 ND2 -0.0023 0.0128 0.0021 1184 ASN 184 1HD2 -0.0025 0.0129 0.0021 1185 ASN 184 2HD2 -0.0026 0.0127 0.0022 1186 ASN 184 C -0.0006 0.0127 0.0016 1187 ASN 184 O -0.0002 0.0123 0.0017 1188 GLY 185 N -0.0028 0.0109 0.0003 1189 GLY 185 H -0.0031 0.0115 0.0007 1190 GLY 185 CA -0.0026 0.0096 0.0004 1191 GLY 185 C -0.0019 0.0092 -0.0007 1192 GLY 185 O -0.0015 0.0081 -0.0010 1193 VAL 186 N -0.0017 0.0101 -0.0014 1194 VAL 186 H -0.0021 0.0110 -0.0012 1195 VAL 186 CA -0.0011 0.0099 -0.0025 1196 VAL 186 CB -0.0011 0.0109 -0.0030 1197 VAL 186 CG1 -0.0004 0.0107 -0.0042 1198 VAL 186 CG2 -0.0016 0.0110 -0.0021 1199 VAL 186 C -0.0006 0.0097 -0.0034 1200 VAL 186 O -0.0001 0.0088 -0.0040 1201 LEU 187 N 0.0014 0.0090 0.0019 1202 LEU 187 H 0.0013 0.0093 0.0022 1203 LEU 187 CA 0.0030 0.0081 0.0009 1204 LEU 187 CB 0.0044 0.0080 0.0007 1205 LEU 187 CG 0.0057 0.0096 0.0017 1206 LEU 187 CD1 0.0068 0.0096 0.0015 1207 LEU 187 CD2 0.0069 0.0101 0.0019 1208 LEU 187 C 0.0023 0.0065 -0.0002 1209 LEU 187 O 0.0032 0.0059 -0.0008 1210 GLN 188 N 0.0007 0.0057 -0.0005 1211 GLN 188 H 0.0000 0.0062 -0.0000 1212 GLN 188 CA -0.0001 0.0042 -0.0016 1213 GLN 188 CB -0.0019 0.0036 -0.0018 1214 GLN 188 CG -0.0016 0.0032 -0.0022 1215 GLN 188 CD -0.0035 0.0028 -0.0022 1216 GLN 188 OE1 -0.0051 0.0030 -0.0018 1217 GLN 188 NE2 -0.0033 0.0022 -0.0027 1218 GLN 188 1HE2 -0.0045 0.0020 -0.0027 1219 GLN 188 2HE2 -0.0020 0.0020 -0.0030 1220 GLN 188 C -0.0008 0.0042 -0.0015 1221 GLN 188 O -0.0005 0.0032 -0.0024 1222 THR 189 N -0.0017 0.0032 -0.0027 1223 THR 189 H -0.0021 0.0035 -0.0029 1224 THR 189 CA -0.0020 0.0047 -0.0022 1225 THR 189 CB -0.0029 0.0065 -0.0019 1226 THR 189 CG2 -0.0033 0.0081 -0.0014 1227 THR 189 OG1 -0.0045 0.0062 -0.0032 1228 THR 189 HG1 -0.0042 0.0055 -0.0034 1229 THR 189 C -0.0004 0.0049 -0.0009 1230 THR 189 O -0.0003 0.0052 -0.0007 1231 PHE 190 N 0.0010 0.0048 0.0000 1232 PHE 190 H 0.0009 0.0046 -0.0001 1233 PHE 190 CA 0.0025 0.0049 0.0013 1234 PHE 190 CB 0.0037 0.0054 0.0024 1235 PHE 190 CG 0.0049 0.0061 0.0037 1236 PHE 190 CD1 0.0044 0.0078 0.0041 1237 PHE 190 CE1 0.0055 0.0085 0.0053 1238 PHE 190 CZ 0.0072 0.0075 0.0061 1239 PHE 190 CE2 0.0078 0.0058 0.0056 1240 PHE 190 CD2 0.0067 0.0052 0.0044 1241 PHE 190 C 0.0034 0.0033 0.0011 1242 PHE 190 O 0.0042 0.0036 0.0018 1243 MET 191 N 0.0037 0.0001 0.0009 1244 MET 191 H 0.0033 0.0001 0.0008 1245 MET 191 CA 0.0041 -0.0009 0.0007 1246 MET 191 CB 0.0037 -0.0016 0.0003 1247 MET 191 CG 0.0040 -0.0026 0.0000 1248 MET 191 SD 0.0033 -0.0031 -0.0004 1249 MET 191 CE 0.0022 -0.0031 -0.0007 1250 MET 191 C 0.0038 -0.0011 0.0005 1251 MET 191 O 0.0044 -0.0015 0.0006 1252 ARG 192 N 0.0029 -0.0007 0.0004 1253 ARG 192 H 0.0024 -0.0004 0.0003 1254 ARG 192 CA 0.0025 -0.0008 0.0002 1255 ARG 192 CB 0.0015 -0.0003 0.0001 1256 ARG 192 CG 0.0008 -0.0008 -0.0004 1257 ARG 192 CD -0.0002 -0.0003 -0.0005 1258 ARG 192 NE -0.0008 -0.0008 -0.0009 1259 ARG 192 HE -0.0005 -0.0015 -0.0010 1260 ARG 192 CZ -0.0016 -0.0004 -0.0010 1261 ARG 192 NH1 -0.0020 0.0005 -0.0008 1262 ARG 192 1HH1 -0.0016 0.0009 -0.0005 1263 ARG 192 2HH1 -0.0026 0.0008 -0.0009 1264 ARG 192 NH2 -0.0021 -0.0009 -0.0013 1265 ARG 192 1HH2 -0.0018 -0.0016 -0.0015 1266 ARG 192 2HH2 -0.0027 -0.0006 -0.0014 1267 ARG 192 C 0.0032 -0.0004 0.0006 1268 ARG 192 O 0.0033 -0.0008 0.0005 1269 MET 193 N 0.0016 0.0040 0.0044 1270 MET 193 H 0.0017 0.0038 0.0044 1271 MET 193 CA 0.0016 0.0042 0.0049 1272 MET 193 CB 0.0016 0.0043 0.0050 1273 MET 193 CG 0.0015 0.0047 0.0048 1274 MET 193 SD 0.0015 0.0049 0.0050 1275 MET 193 CE 0.0015 0.0053 0.0054 1276 MET 193 C 0.0018 0.0040 0.0052 1277 MET 193 O 0.0018 0.0042 0.0055 1278 ALA 194 N 0.0019 0.0036 0.0053 1279 ALA 194 H 0.0019 0.0034 0.0051 1280 ALA 194 CA 0.0020 0.0033 0.0057 1281 ALA 194 CB 0.0021 0.0030 0.0058 1282 ALA 194 C 0.0021 0.0030 0.0056 1283 ALA 194 O 0.0022 0.0028 0.0059 1284 TRP 195 N 0.0019 -0.0007 0.0057 1285 TRP 195 H 0.0020 -0.0002 0.0048 1286 TRP 195 CA 0.0022 -0.0008 0.0050 1287 TRP 195 CB 0.0015 0.0006 0.0054 1288 TRP 195 CG 0.0008 0.0007 0.0073 1289 TRP 195 CD1 0.0000 0.0016 0.0085 1290 TRP 195 NE1 -0.0004 0.0013 0.0101 1291 TRP 195 HE1 -0.0010 0.0018 0.0112 1292 TRP 195 CE2 0.0001 0.0003 0.0098 1293 TRP 195 CZ2 -0.0001 -0.0003 0.0109 1294 TRP 195 CH2 0.0005 -0.0013 0.0102 1295 TRP 195 CZ3 0.0013 -0.0017 0.0085 1296 TRP 195 CE3 0.0014 -0.0011 0.0074 1297 TRP 195 CD2 0.0008 -0.0001 0.0081 1298 TRP 195 C 0.0029 -0.0026 0.0049 1299 TRP 195 O 0.0032 -0.0039 0.0054 1300 GLY 196 N 0.0032 -0.0028 0.0042 1301 GLY 196 H 0.0029 -0.0017 0.0038 1302 GLY 196 CA 0.0039 -0.0044 0.0039 1303 GLY 196 C 0.0037 -0.0054 0.0055 1304 GLY 196 O 0.0042 -0.0065 0.0052 1305 GLY 197 N 0.0030 -0.0034 0.0078 1306 GLY 197 H 0.0022 -0.0017 0.0082 1307 GLY 197 CA 0.0062 -0.0039 0.0089 1308 GLY 197 C 0.0070 -0.0033 0.0094 1309 GLY 197 O 0.0087 -0.0052 0.0094 1310 SER 198 N 0.0057 -0.0008 0.0099 1311 SER 198 H 0.0043 0.0007 0.0100 1312 SER 198 CA 0.0062 -0.0000 0.0105 1313 SER 198 CB 0.0072 0.0031 0.0121 1314 SER 198 OG 0.0050 0.0053 0.0122 1315 SER 198 HG 0.0058 0.0071 0.0132 1316 SER 198 C 0.0035 -0.0001 0.0093 1317 SER 198 O 0.0036 0.0002 0.0095 1318 TYR 199 N 0.0090 -0.0037 0.0059 1319 TYR 199 H 0.0090 -0.0026 0.0064 1320 TYR 199 CA 0.0074 -0.0040 0.0029 1321 TYR 199 CB 0.0059 -0.0005 0.0018 1322 TYR 199 CG 0.0062 0.0018 0.0036 1323 TYR 199 CD1 0.0067 0.0043 0.0057 1324 TYR 199 CE1 0.0070 0.0064 0.0073 1325 TYR 199 CZ 0.0068 0.0060 0.0068 1326 TYR 199 OH 0.0071 0.0082 0.0084 1327 TYR 199 HH 0.0076 0.0094 0.0100 1328 TYR 199 CE2 0.0063 0.0036 0.0047 1329 TYR 199 CD2 0.0060 0.0015 0.0031 1330 TYR 199 C 0.0070 -0.0063 0.0009 1331 TYR 199 O 0.0054 -0.0057 -0.0017 1332 ILE 200 N 0.0084 -0.0089 0.0020 1333 ILE 200 H 0.0096 -0.0094 0.0040 1334 ILE 200 CA 0.0081 -0.0113 0.0003 1335 ILE 200 CB 0.0098 -0.0141 0.0019 1336 ILE 200 CG2 0.0094 -0.0165 -0.0001 1337 ILE 200 CG1 0.0110 -0.0129 0.0047 1338 ILE 200 CD1 0.0128 -0.0154 0.0068 1339 ILE 200 C 0.0071 -0.0129 -0.0024 1340 ILE 200 O 0.0077 -0.0141 -0.0020 1341 ALA 201 N 0.0134 -0.0122 -0.0044 1342 ALA 201 H 0.0133 -0.0141 -0.0045 1343 ALA 201 CA 0.0107 -0.0117 -0.0034 1344 ALA 201 CB 0.0081 -0.0111 -0.0025 1345 ALA 201 C 0.0098 -0.0143 -0.0034 1346 ALA 201 O 0.0081 -0.0139 -0.0027 1347 LEU 202 N 0.0111 -0.0171 -0.0040 1348 LEU 202 H 0.0126 -0.0174 -0.0045 1349 LEU 202 CA 0.0103 -0.0198 -0.0040 1350 LEU 202 CB 0.0092 -0.0227 -0.0038 1351 LEU 202 CG 0.0063 -0.0220 -0.0028 1352 LEU 202 CD1 0.0054 -0.0248 -0.0027 1353 LEU 202 CD2 0.0038 -0.0209 -0.0018 1354 LEU 202 C 0.0121 -0.0208 -0.0046 1355 LEU 202 O 0.0121 -0.0235 -0.0049 1356 ASP 203 N 0.0226 -0.0082 -0.0089 1357 ASP 203 H 0.0226 -0.0105 -0.0140 1358 ASP 203 CA 0.0152 -0.0048 -0.0068 1359 ASP 203 CB 0.0087 -0.0055 -0.0132 1360 ASP 203 CG 0.0087 -0.0075 -0.0178 1361 ASP 203 OD1 0.0127 -0.0079 -0.0155 1362 ASP 203 OD2 0.0046 -0.0089 -0.0239 1363 ASP 203 C 0.0132 -0.0018 -0.0017 1364 ASP 203 O 0.0148 -0.0028 -0.0028 1365 SER 204 N 0.0099 0.0019 0.0041 1366 SER 204 H 0.0087 0.0027 0.0048 1367 SER 204 CA 0.0078 0.0051 0.0096 1368 SER 204 CB 0.0048 0.0089 0.0159 1369 SER 204 OG 0.0028 0.0121 0.0213 1370 SER 204 HG 0.0009 0.0143 0.0249 1371 SER 204 C 0.0020 0.0056 0.0065 1372 SER 204 O -0.0038 0.0058 0.0025 1373 GLY 205 N -0.0037 0.0039 -0.0126 1374 GLY 205 H 0.0033 0.0070 -0.0116 1375 GLY 205 CA -0.0069 -0.0013 -0.0168 1376 GLY 205 C 0.0023 -0.0016 -0.0198 1377 GLY 205 O 0.0110 -0.0005 -0.0211 1378 LYS 206 N 0.0005 -0.0036 -0.0212 1379 LYS 206 H -0.0066 -0.0047 -0.0202 1380 LYS 206 CA 0.0086 -0.0040 -0.0239 1381 LYS 206 CB 0.0052 -0.0038 -0.0227 1382 LYS 206 CG 0.0033 0.0041 -0.0145 1383 LYS 206 CD 0.0003 0.0045 -0.0132 1384 LYS 206 CE -0.0013 0.0124 -0.0050 1385 LYS 206 NZ -0.0039 0.0124 -0.0043 1386 LYS 206 HZ1 0.0014 0.0101 -0.0080 1387 LYS 206 HZ2 -0.0037 0.0180 0.0011 1388 LYS 206 HZ3 -0.0112 0.0092 -0.0053 1389 LYS 206 C 0.0132 -0.0110 -0.0321 1390 LYS 206 O 0.0223 -0.0108 -0.0344 1391 GLY 207 N -0.0160 0.0213 0.0111 1392 GLY 207 H -0.0112 0.0218 0.0090 1393 GLY 207 CA -0.0181 0.0265 0.0152 1394 GLY 207 C -0.0190 0.0257 0.0152 1395 GLY 207 O -0.0206 0.0299 0.0184 1396 SER 208 N -0.0179 0.0204 0.0116 1397 SER 208 H -0.0167 0.0170 0.0090 1398 SER 208 CA -0.0186 0.0192 0.0112 1399 SER 208 CB -0.0151 0.0142 0.0066 1400 SER 208 OG -0.0083 0.0163 0.0044 1401 SER 208 HG -0.0064 0.0130 0.0016 1402 SER 208 C -0.0256 0.0172 0.0136 1403 SER 208 O -0.0294 0.0136 0.0134 1404 TRP 209 N 0.0009 -0.0005 -0.0001 1405 TRP 209 H 0.0012 -0.0001 -0.0016 1406 TRP 209 CA 0.0004 -0.0026 0.0020 1407 TRP 209 CB 0.0000 -0.0019 0.0036 1408 TRP 209 CG -0.0002 0.0010 0.0052 1409 TRP 209 CD1 0.0001 0.0036 0.0043 1410 TRP 209 NE1 -0.0003 0.0057 0.0064 1411 TRP 209 HE1 -0.0002 0.0077 0.0063 1412 TRP 209 CE2 -0.0008 0.0043 0.0088 1413 TRP 209 CZ2 -0.0013 0.0054 0.0114 1414 TRP 209 CH2 -0.0018 0.0035 0.0134 1415 TRP 209 CZ3 -0.0018 0.0005 0.0128 1416 TRP 209 CE3 -0.0013 -0.0006 0.0101 1417 TRP 209 CD2 -0.0008 0.0014 0.0081 1418 TRP 209 C 0.0006 -0.0054 0.0004 1419 TRP 209 O 0.0011 -0.0054 -0.0022 1420 ASP 210 N 0.0002 -0.0078 0.0019 1421 ASP 210 H -0.0002 -0.0078 0.0040 1422 ASP 210 CA 0.0003 -0.0107 0.0008 1423 ASP 210 CB -0.0002 -0.0131 0.0031 1424 ASP 210 CG -0.0001 -0.0161 0.0017 1425 ASP 210 OD1 0.0003 -0.0166 -0.0000 1426 ASP 210 OD2 -0.0003 -0.0179 0.0024 1427 ASP 210 C 0.0005 -0.0108 -0.0002 1428 ASP 210 O 0.0009 -0.0125 -0.0021 1429 CYS 211 N 0.0001 -0.0009 -0.0001 1430 CYS 211 H -0.0004 -0.0010 -0.0001 1431 CYS 211 CA 0.0004 0.0007 0.0007 1432 CYS 211 CB -0.0007 0.0019 0.0016 1433 CYS 211 SG -0.0031 0.0015 0.0017 1434 CYS 211 C 0.0023 0.0013 0.0008 1435 CYS 211 O 0.0035 0.0009 0.0005 1436 ILE 212 N 0.0028 0.0022 0.0013 1437 ILE 212 H 0.0018 0.0025 0.0015 1438 ILE 212 CA 0.0045 0.0029 0.0014 1439 ILE 212 CB 0.0047 0.0033 0.0016 1440 ILE 212 CG2 0.0064 0.0044 0.0020 1441 ILE 212 CG1 0.0048 0.0017 0.0007 1442 ILE 212 CD1 0.0029 0.0007 0.0004 1443 ILE 212 C 0.0049 0.0045 0.0022 1444 ILE 212 O 0.0036 0.0054 0.0029 1445 MET 213 N 0.0057 0.0068 0.0068 1446 MET 213 H 0.0055 0.0070 0.0067 1447 MET 213 CA 0.0061 0.0063 0.0071 1448 MET 213 CB 0.0066 0.0063 0.0069 1449 MET 213 CG 0.0072 0.0065 0.0066 1450 MET 213 SD 0.0075 0.0061 0.0068 1451 MET 213 CE 0.0079 0.0056 0.0071 1452 MET 213 C 0.0056 0.0061 0.0074 1453 MET 213 O 0.0053 0.0063 0.0074 1454 THR 214 N 0.0056 0.0056 0.0078 1455 THR 214 H 0.0058 0.0055 0.0079 1456 THR 214 CA 0.0052 0.0053 0.0082 1457 THR 214 CB 0.0046 0.0052 0.0084 1458 THR 214 CG2 0.0042 0.0057 0.0082 1459 THR 214 OG1 0.0048 0.0050 0.0086 1460 THR 214 HG1 0.0049 0.0047 0.0088 1461 THR 214 C 0.0056 0.0048 0.0085 1462 THR 214 O 0.0060 0.0046 0.0085 1463 SER 215 N -0.0042 -0.0046 0.0140 1464 SER 215 H -0.0040 -0.0045 0.0157 1465 SER 215 CA -0.0067 -0.0052 0.0113 1466 SER 215 CB -0.0092 -0.0058 0.0122 1467 SER 215 OG -0.0074 -0.0054 0.0125 1468 SER 215 HG -0.0092 -0.0058 0.0129 1469 SER 215 C -0.0051 -0.0050 0.0077 1470 SER 215 O -0.0066 -0.0054 0.0050 1471 TYR 216 N -0.0021 -0.0043 0.0077 1472 TYR 216 H -0.0010 -0.0040 0.0100 1473 TYR 216 CA -0.0002 -0.0039 0.0046 1474 TYR 216 CB 0.0031 -0.0032 0.0055 1475 TYR 216 CG 0.0019 -0.0034 0.0070 1476 TYR 216 CD1 0.0021 -0.0032 0.0106 1477 TYR 216 CE1 0.0011 -0.0034 0.0121 1478 TYR 216 CZ -0.0001 -0.0038 0.0099 1479 TYR 216 OH -0.0012 -0.0040 0.0114 1480 TYR 216 HH -0.0008 -0.0038 0.0139 1481 TYR 216 CE2 -0.0004 -0.0039 0.0063 1482 TYR 216 CD2 0.0007 -0.0037 0.0048 1483 TYR 216 C 0.0009 -0.0038 0.0023 1484 TYR 216 O 0.0021 -0.0034 0.0036 1485 GLN 217 N -0.0007 -0.0047 0.0001 1486 GLN 217 H -0.0016 -0.0051 -0.0004 1487 GLN 217 CA 0.0002 -0.0050 -0.0014 1488 GLN 217 CB -0.0009 -0.0058 -0.0033 1489 GLN 217 CG -0.0031 -0.0063 -0.0033 1490 GLN 217 CD -0.0038 -0.0071 -0.0053 1491 GLN 217 OE1 -0.0033 -0.0074 -0.0067 1492 GLN 217 NE2 -0.0050 -0.0075 -0.0056 1493 GLN 217 1HE2 -0.0055 -0.0080 -0.0069 1494 GLN 217 2HE2 -0.0053 -0.0072 -0.0044 1495 GLN 217 C 0.0024 -0.0047 -0.0020 1496 GLN 217 O 0.0035 -0.0046 -0.0025 1497 TYR 218 N 0.0031 -0.0045 -0.0020 1498 TYR 218 H 0.0023 -0.0046 -0.0017 1499 TYR 218 CA 0.0052 -0.0042 -0.0027 1500 TYR 218 CB 0.0054 -0.0048 -0.0047 1501 TYR 218 CG 0.0046 -0.0055 -0.0063 1502 TYR 218 CD1 0.0026 -0.0061 -0.0068 1503 TYR 218 CE1 0.0018 -0.0068 -0.0083 1504 TYR 218 CZ 0.0031 -0.0068 -0.0094 1505 TYR 218 OH 0.0023 -0.0075 -0.0110 1506 TYR 218 HH 0.0034 -0.0074 -0.0115 1507 TYR 218 CE2 0.0051 -0.0062 -0.0090 1508 TYR 218 CD2 0.0059 -0.0056 -0.0074 1509 TYR 218 C 0.0062 -0.0036 -0.0013 1510 TYR 218 O 0.0053 -0.0035 -0.0002 1511 LEU 219 N 0.0073 -0.0024 -0.0022 1512 LEU 219 H 0.0081 -0.0026 -0.0030 1513 LEU 219 CA 0.0079 -0.0013 -0.0012 1514 LEU 219 CB 0.0092 -0.0002 -0.0005 1515 LEU 219 CG 0.0097 0.0010 0.0008 1516 LEU 219 CD1 0.0098 0.0020 0.0020 1517 LEU 219 CD2 0.0114 0.0014 0.0002 1518 LEU 219 C 0.0088 -0.0017 -0.0023 1519 LEU 219 O 0.0100 -0.0019 -0.0033 1520 ILE 220 N 0.0083 -0.0018 -0.0021 1521 ILE 220 H 0.0073 -0.0017 -0.0012 1522 ILE 220 CA 0.0091 -0.0022 -0.0031 1523 ILE 220 CB 0.0079 -0.0034 -0.0040 1524 ILE 220 CG2 0.0088 -0.0038 -0.0051 1525 ILE 220 CG1 0.0074 -0.0044 -0.0050 1526 ILE 220 CD1 0.0060 -0.0056 -0.0057 1527 ILE 220 C 0.0097 -0.0012 -0.0022 1528 ILE 220 O 0.0087 -0.0009 -0.0011 1529 ILE 221 N 0.0123 -0.0028 -0.0036 1530 ILE 221 H 0.0127 -0.0031 -0.0038 1531 ILE 221 CA 0.0115 -0.0020 -0.0034 1532 ILE 221 CB 0.0119 -0.0014 -0.0041 1533 ILE 221 CG2 0.0111 -0.0006 -0.0039 1534 ILE 221 CG1 0.0125 -0.0009 -0.0048 1535 ILE 221 CD1 0.0129 -0.0003 -0.0055 1536 ILE 221 C 0.0110 -0.0026 -0.0027 1537 ILE 221 O 0.0114 -0.0031 -0.0027 1538 GLN 222 N 0.0102 -0.0024 -0.0021 1539 GLN 222 H 0.0098 -0.0020 -0.0021 1540 GLN 222 CA 0.0096 -0.0029 -0.0014 1541 GLN 222 CB 0.0094 -0.0037 -0.0008 1542 GLN 222 CG 0.0101 -0.0046 -0.0009 1543 GLN 222 CD 0.0098 -0.0054 -0.0001 1544 GLN 222 OE1 0.0094 -0.0059 0.0004 1545 GLN 222 NE2 0.0098 -0.0054 -0.0002 1546 GLN 222 1HE2 0.0096 -0.0059 0.0003 1547 GLN 222 2HE2 0.0101 -0.0049 -0.0007 1548 GLN 222 C 0.0087 -0.0022 -0.0011 1549 GLN 222 O 0.0084 -0.0014 -0.0013 1550 ASN 223 N 0.0071 -0.0050 -0.0024 1551 ASN 223 H 0.0076 -0.0059 -0.0020 1552 ASN 223 CA 0.0053 -0.0039 -0.0017 1553 ASN 223 CB 0.0046 -0.0041 -0.0008 1554 ASN 223 CG 0.0028 -0.0029 -0.0002 1555 ASN 223 OD1 0.0016 -0.0021 0.0001 1556 ASN 223 ND2 0.0024 -0.0027 -0.0001 1557 ASN 223 1HD2 0.0012 -0.0019 0.0003 1558 ASN 223 2HD2 0.0033 -0.0034 -0.0003 1559 ASN 223 C 0.0045 -0.0044 -0.0004 1560 ASN 223 O 0.0048 -0.0058 0.0009 1561 THR 224 N 0.0034 -0.0032 -0.0006 1562 THR 224 H 0.0032 -0.0021 -0.0016 1563 THR 224 CA 0.0026 -0.0036 0.0007 1564 THR 224 CB 0.0037 -0.0042 0.0002 1565 THR 224 CG2 0.0027 -0.0046 0.0017 1566 THR 224 OG1 0.0053 -0.0057 0.0002 1567 THR 224 HG1 0.0059 -0.0059 -0.0003 1568 THR 224 C 0.0009 -0.0020 0.0007 1569 THR 224 O 0.0009 -0.0008 -0.0007 1570 THR 225 N -0.0039 -0.0057 -0.0013 1571 THR 225 H -0.0042 -0.0065 -0.0016 1572 THR 225 CA -0.0045 -0.0054 -0.0014 1573 THR 225 CB -0.0052 -0.0066 -0.0019 1574 THR 225 CG2 -0.0057 -0.0064 -0.0020 1575 THR 225 OG1 -0.0044 -0.0078 -0.0020 1576 THR 225 HG1 -0.0036 -0.0077 -0.0017 1577 THR 225 C -0.0053 -0.0041 -0.0013 1578 THR 225 O -0.0061 -0.0038 -0.0015 1579 TRP 226 N -0.0052 -0.0033 -0.0010 1580 TRP 226 H -0.0045 -0.0036 -0.0009 1581 TRP 226 CA -0.0059 -0.0020 -0.0009 1582 TRP 226 CB -0.0053 -0.0011 -0.0005 1583 TRP 226 CG -0.0060 0.0003 -0.0003 1584 TRP 226 CD1 -0.0067 0.0008 -0.0005 1585 TRP 226 NE1 -0.0072 0.0021 -0.0003 1586 TRP 226 HE1 -0.0078 0.0026 -0.0003 1587 TRP 226 CE2 -0.0067 0.0025 0.0000 1588 TRP 226 CZ2 -0.0069 0.0037 0.0003 1589 TRP 226 CH2 -0.0062 0.0038 0.0005 1590 TRP 226 CZ3 -0.0054 0.0027 0.0005 1591 TRP 226 CE3 -0.0053 0.0015 0.0002 1592 TRP 226 CD2 -0.0059 0.0014 -0.0000 1593 TRP 226 C -0.0073 -0.0021 -0.0014 1594 TRP 226 O -0.0076 -0.0028 -0.0017 1595 ASP 227 N -0.0090 -0.0037 0.0011 1596 ASP 227 H -0.0080 -0.0029 0.0012 1597 ASP 227 CA -0.0105 -0.0036 0.0002 1598 ASP 227 CB -0.0109 -0.0047 0.0005 1599 ASP 227 CG -0.0097 -0.0042 0.0009 1600 ASP 227 OD1 -0.0085 -0.0029 0.0010 1601 ASP 227 OD2 -0.0100 -0.0050 0.0011 1602 ASP 227 C -0.0108 -0.0018 -0.0007 1603 ASP 227 O -0.0114 -0.0013 -0.0013 1604 ASP 228 N -0.0103 -0.0007 -0.0010 1605 ASP 228 H -0.0098 -0.0011 -0.0005 1606 ASP 228 CA -0.0104 0.0011 -0.0018 1607 ASP 228 CB -0.0122 0.0014 -0.0029 1608 ASP 228 CG -0.0123 0.0032 -0.0038 1609 ASP 228 OD1 -0.0110 0.0041 -0.0035 1610 ASP 228 OD2 -0.0136 0.0037 -0.0047 1611 ASP 228 C -0.0094 0.0022 -0.0018 1612 ASP 228 O -0.0101 0.0031 -0.0026 1613 HIS 229 N -0.0066 0.0021 0.0002 1614 HIS 229 H -0.0059 0.0012 0.0009 1615 HIS 229 CA -0.0060 0.0035 0.0005 1616 HIS 229 CB -0.0045 0.0030 0.0019 1617 HIS 229 CG -0.0046 0.0014 0.0020 1618 HIS 229 ND1 -0.0050 0.0016 0.0016 1619 HIS 229 CE1 -0.0048 -0.0001 0.0020 1620 HIS 229 NE2 -0.0043 -0.0013 0.0026 1621 HIS 229 CD2 -0.0042 -0.0004 0.0026 1622 HIS 229 C -0.0058 0.0055 0.0005 1623 HIS 229 O -0.0059 0.0067 0.0002 1624 CYS 230 N -0.0054 0.0058 0.0008 1625 CYS 230 H -0.0053 0.0048 0.0010 1626 CYS 230 CA -0.0052 0.0077 0.0007 1627 CYS 230 CB -0.0036 0.0086 0.0020 1628 CYS 230 SG -0.0033 0.0110 0.0019 1629 CYS 230 C -0.0055 0.0081 0.0004 1630 CYS 230 O -0.0049 0.0073 0.0010 1631 GLN 231 N -0.0003 0.0045 -0.0046 1632 GLN 231 H -0.0000 0.0063 -0.0057 1633 GLN 231 CA -0.0006 0.0032 -0.0056 1634 GLN 231 CB -0.0007 0.0028 -0.0089 1635 GLN 231 CG -0.0010 0.0012 -0.0099 1636 GLN 231 CD -0.0012 0.0007 -0.0132 1637 GLN 231 OE1 -0.0011 0.0016 -0.0149 1638 GLN 231 NE2 -0.0015 -0.0007 -0.0141 1639 GLN 231 1HE2 -0.0016 -0.0011 -0.0162 1640 GLN 231 2HE2 -0.0015 -0.0014 -0.0127 1641 GLN 231 C -0.0001 0.0055 -0.0046 1642 GLN 231 O 0.0003 0.0079 -0.0056 1643 PHE 232 N -0.0002 0.0047 -0.0026 1644 PHE 232 H -0.0005 0.0028 -0.0018 1645 PHE 232 CA 0.0002 0.0068 -0.0014 1646 PHE 232 CB 0.0004 0.0073 0.0018 1647 PHE 232 CG 0.0009 0.0099 0.0033 1648 PHE 232 CD1 0.0009 0.0095 0.0058 1649 PHE 232 CE1 0.0013 0.0118 0.0072 1650 PHE 232 CZ 0.0018 0.0146 0.0062 1651 PHE 232 CE2 0.0018 0.0150 0.0037 1652 PHE 232 CD2 0.0013 0.0126 0.0023 1653 PHE 232 C 0.0000 0.0059 -0.0017 1654 PHE 232 O -0.0004 0.0038 -0.0031 1655 SER 233 N 0.0033 0.0030 0.0038 1656 SER 233 H 0.0028 0.0036 0.0039 1657 SER 233 CA 0.0033 0.0024 0.0044 1658 SER 233 CB 0.0027 0.0028 0.0049 1659 SER 233 OG 0.0021 0.0032 0.0054 1660 SER 233 HG 0.0017 0.0035 0.0057 1661 SER 233 C 0.0033 0.0018 0.0050 1662 SER 233 O 0.0037 0.0011 0.0053 1663 ARG 234 N 0.0030 0.0021 0.0052 1664 ARG 234 H 0.0028 0.0027 0.0049 1665 ARG 234 CA 0.0031 0.0015 0.0057 1666 ARG 234 CB 0.0025 0.0015 0.0066 1667 ARG 234 CG 0.0026 0.0007 0.0072 1668 ARG 234 CD 0.0020 0.0008 0.0081 1669 ARG 234 NE 0.0017 0.0008 0.0085 1670 ARG 234 HE 0.0020 0.0007 0.0083 1671 ARG 234 CZ 0.0011 0.0009 0.0093 1672 ARG 234 NH1 0.0008 0.0011 0.0097 1673 ARG 234 1HH1 0.0009 0.0011 0.0095 1674 ARG 234 2HH1 0.0003 0.0012 0.0103 1675 ARG 234 NH2 0.0009 0.0009 0.0096 1676 ARG 234 1HH2 0.0012 0.0009 0.0093 1677 ARG 234 2HH2 0.0005 0.0010 0.0102 1678 ARG 234 C 0.0034 0.0014 0.0053 1679 ARG 234 O 0.0030 0.0016 0.0057 1680 PRO 235 N 0.0012 0.0061 0.0047 1681 PRO 235 CA 0.0011 0.0054 0.0048 1682 PRO 235 CB 0.0020 0.0055 0.0031 1683 PRO 235 CG 0.0025 0.0067 0.0020 1684 PRO 235 CD 0.0020 0.0063 0.0029 1685 PRO 235 C 0.0008 0.0034 0.0054 1686 PRO 235 O 0.0009 0.0027 0.0052 1687 SER 236 N 0.0005 0.0024 0.0060 1688 SER 236 H 0.0005 0.0030 0.0060 1689 SER 236 CA 0.0001 0.0006 0.0069 1690 SER 236 CB -0.0000 -0.0004 0.0072 1691 SER 236 OG -0.0006 0.0007 0.0083 1692 SER 236 HG -0.0003 0.0015 0.0076 1693 SER 236 C -0.0007 0.0010 0.0086 1694 SER 236 O -0.0010 0.0027 0.0090 1695 PRO 237 N -0.0024 0.0003 0.0114 1696 PRO 237 CA -0.0022 0.0002 0.0105 1697 PRO 237 CB -0.0018 0.0011 0.0103 1698 PRO 237 CG -0.0018 0.0016 0.0110 1699 PRO 237 CD -0.0021 0.0011 0.0117 1700 PRO 237 C -0.0022 -0.0003 0.0100 1701 PRO 237 O -0.0021 -0.0005 0.0093 1702 ILE 238 N -0.0024 -0.0005 0.0104 1703 ILE 238 H -0.0025 -0.0004 0.0111 1704 ILE 238 CA -0.0024 -0.0007 0.0100 1705 ILE 238 CB -0.0026 -0.0008 0.0107 1706 ILE 238 CG2 -0.0027 -0.0014 0.0103 1707 ILE 238 CG1 -0.0023 0.0001 0.0109 1708 ILE 238 CD1 -0.0023 0.0006 0.0115 1709 ILE 238 C -0.0025 -0.0014 0.0093 1710 ILE 238 O -0.0023 -0.0013 0.0087 1711 GLY 239 N -0.0037 -0.0024 0.0065 1712 GLY 239 H -0.0032 -0.0022 0.0069 1713 GLY 239 CA -0.0045 -0.0026 0.0057 1714 GLY 239 C -0.0047 -0.0018 0.0047 1715 GLY 239 O -0.0054 -0.0020 0.0041 1716 TYR 240 N -0.0040 -0.0008 0.0047 1717 TYR 240 H -0.0034 -0.0006 0.0052 1718 TYR 240 CA -0.0041 0.0000 0.0038 1719 TYR 240 CB -0.0033 0.0010 0.0039 1720 TYR 240 CG -0.0033 0.0019 0.0030 1721 TYR 240 CD1 -0.0038 0.0022 0.0021 1722 TYR 240 CE1 -0.0037 0.0031 0.0013 1723 TYR 240 CZ -0.0032 0.0037 0.0014 1724 TYR 240 OH -0.0032 0.0045 0.0006 1725 TYR 240 HH -0.0036 0.0046 0.0001 1726 TYR 240 CE2 -0.0027 0.0034 0.0023 1727 TYR 240 CD2 -0.0027 0.0025 0.0031 1728 TYR 240 C -0.0043 0.0001 0.0036 1729 TYR 240 O -0.0048 0.0003 0.0027 1730 LEU 241 N -0.0044 -0.0033 0.0072 1731 LEU 241 H -0.0045 -0.0034 0.0081 1732 LEU 241 CA -0.0047 -0.0024 0.0058 1733 LEU 241 CB -0.0050 -0.0016 0.0060 1734 LEU 241 CG -0.0057 -0.0005 0.0074 1735 LEU 241 CD1 -0.0060 0.0003 0.0075 1736 LEU 241 CD2 -0.0061 0.0005 0.0075 1737 LEU 241 C -0.0041 -0.0033 0.0044 1738 LEU 241 O -0.0042 -0.0027 0.0031 1739 GLY 242 N -0.0035 -0.0047 0.0046 1740 GLY 242 H -0.0035 -0.0051 0.0057 1741 GLY 242 CA -0.0029 -0.0057 0.0034 1742 GLY 242 C -0.0027 -0.0060 0.0026 1743 GLY 242 O -0.0024 -0.0064 0.0012 1744 LEU 243 N -0.0037 -0.0038 0.0008 1745 LEU 243 H -0.0030 -0.0038 0.0001 1746 LEU 243 CA -0.0046 -0.0028 0.0022 1747 LEU 243 CB -0.0042 -0.0014 0.0025 1748 LEU 243 CG -0.0028 0.0001 0.0020 1749 LEU 243 CD1 -0.0025 0.0012 0.0023 1750 LEU 243 CD2 -0.0029 0.0012 0.0026 1751 LEU 243 C -0.0061 -0.0040 0.0029 1752 LEU 243 O -0.0072 -0.0039 0.0040 1753 LEU 244 N -0.0060 -0.0053 0.0022 1754 LEU 244 H -0.0051 -0.0054 0.0013 1755 LEU 244 CA -0.0073 -0.0066 0.0027 1756 LEU 244 CB -0.0069 -0.0079 0.0017 1757 LEU 244 CG -0.0062 -0.0070 0.0015 1758 LEU 244 CD1 -0.0058 -0.0084 0.0004 1759 LEU 244 CD2 -0.0072 -0.0062 0.0028 1760 LEU 244 C -0.0082 -0.0078 0.0029 1761 LEU 244 O -0.0095 -0.0083 0.0039 1762 SER 245 N -0.0063 -0.0074 -0.0002 1763 SER 245 H -0.0057 -0.0071 -0.0006 1764 SER 245 CA -0.0059 -0.0070 -0.0022 1765 SER 245 CB -0.0058 -0.0065 -0.0048 1766 SER 245 OG -0.0037 -0.0059 -0.0049 1767 SER 245 HG -0.0037 -0.0057 -0.0066 1768 SER 245 C -0.0036 -0.0064 -0.0016 1769 SER 245 O -0.0029 -0.0059 -0.0033 1770 GLN 246 N -0.0025 -0.0064 0.0008 1771 GLN 246 H -0.0030 -0.0068 0.0021 1772 GLN 246 CA -0.0003 -0.0059 0.0014 1773 GLN 246 CB 0.0006 -0.0061 0.0042 1774 GLN 246 CG 0.0032 -0.0055 0.0052 1775 GLN 246 CD 0.0033 -0.0056 0.0058 1776 GLN 246 OE1 0.0050 -0.0050 0.0050 1777 GLN 246 NE2 0.0015 -0.0063 0.0073 1778 GLN 246 1HE2 0.0016 -0.0064 0.0078 1779 GLN 246 2HE2 0.0002 -0.0068 0.0080 1780 GLN 246 C -0.0006 -0.0059 0.0007 1781 GLN 246 O 0.0011 -0.0053 -0.0004 1782 ARG 247 N 0.0036 -0.0121 0.0025 1783 ARG 247 H 0.0000 -0.0145 0.0040 1784 ARG 247 CA 0.0046 -0.0113 0.0018 1785 ARG 247 CB 0.0012 -0.0148 0.0052 1786 ARG 247 CG 0.0039 -0.0175 0.0112 1787 ARG 247 CD 0.0008 -0.0212 0.0150 1788 ARG 247 NE 0.0042 -0.0234 0.0206 1789 ARG 247 HE 0.0074 -0.0232 0.0222 1790 ARG 247 CZ 0.0030 -0.0258 0.0236 1791 ARG 247 NH1 -0.0013 -0.0262 0.0216 1792 ARG 247 1HH1 -0.0037 -0.0248 0.0179 1793 ARG 247 2HH1 -0.0021 -0.0279 0.0238 1794 ARG 247 NH2 0.0062 -0.0278 0.0286 1795 ARG 247 1HH2 0.0094 -0.0275 0.0302 1796 ARG 247 2HH2 0.0054 -0.0295 0.0309 1797 ARG 247 C 0.0029 -0.0082 -0.0041 1798 ARG 247 O 0.0054 -0.0062 -0.0057 1799 THR 248 N -0.0012 -0.0077 -0.0073 1800 THR 248 H -0.0027 -0.0090 -0.0062 1801 THR 248 CA -0.0031 -0.0049 -0.0129 1802 THR 248 CB -0.0097 -0.0061 -0.0150 1803 THR 248 CG2 -0.0134 -0.0097 -0.0117 1804 THR 248 OG1 -0.0110 -0.0070 -0.0145 1805 THR 248 HG1 -0.0149 -0.0071 -0.0166 1806 THR 248 C 0.0008 -0.0012 -0.0163 1807 THR 248 O -0.0008 0.0013 -0.0212 1808 ARG 249 N -0.0004 -0.0007 -0.0099 1809 ARG 249 H 0.0004 -0.0027 -0.0081 1810 ARG 249 CA 0.0016 0.0007 -0.0111 1811 ARG 249 CB 0.0031 -0.0014 -0.0092 1812 ARG 249 CG 0.0002 -0.0032 -0.0077 1813 ARG 249 CD 0.0021 -0.0049 -0.0061 1814 ARG 249 NE 0.0048 -0.0070 -0.0042 1815 ARG 249 HE 0.0036 -0.0087 -0.0027 1816 ARG 249 CZ 0.0086 -0.0066 -0.0045 1817 ARG 249 NH1 0.0103 -0.0045 -0.0063 1818 ARG 249 1HH1 0.0087 -0.0033 -0.0074 1819 ARG 249 2HH1 0.0132 -0.0042 -0.0065 1820 ARG 249 NH2 0.0109 -0.0082 -0.0030 1821 ARG 249 1HH2 0.0098 -0.0097 -0.0017 1822 ARG 249 2HH2 0.0137 -0.0079 -0.0032 1823 ARG 249 C 0.0053 0.0019 -0.0121 1824 ARG 249 O 0.0063 0.0043 -0.0143 1825 ASP 250 N 0.0072 0.0002 -0.0106 1826 ASP 250 H 0.0061 -0.0017 -0.0089 1827 ASP 250 CA 0.0109 0.0008 -0.0111 1828 ASP 250 CB 0.0118 -0.0015 -0.0090 1829 ASP 250 CG 0.0126 -0.0045 -0.0063 1830 ASP 250 OD1 0.0131 -0.0047 -0.0061 1831 ASP 250 OD2 0.0127 -0.0065 -0.0045 1832 ASP 250 C 0.0115 0.0036 -0.0136 1833 ASP 250 O 0.0145 0.0049 -0.0147 1834 ILE 251 N 0.0098 0.0011 -0.0171 1835 ILE 251 H 0.0071 -0.0001 -0.0160 1836 ILE 251 CA 0.0098 0.0034 -0.0201 1837 ILE 251 CB 0.0065 0.0030 -0.0201 1838 ILE 251 CG2 0.0062 0.0055 -0.0233 1839 ILE 251 CG1 0.0074 0.0007 -0.0170 1840 ILE 251 CD1 0.0117 0.0010 -0.0167 1841 ILE 251 C 0.0097 0.0059 -0.0233 1842 ILE 251 O 0.0114 0.0081 -0.0258 1843 TYR 252 N 0.0078 0.0056 -0.0232 1844 TYR 252 H 0.0067 0.0038 -0.0211 1845 TYR 252 CA 0.0073 0.0077 -0.0260 1846 TYR 252 CB 0.0115 0.0090 -0.0270 1847 TYR 252 CG 0.0131 0.0071 -0.0243 1848 TYR 252 CD1 0.0165 0.0058 -0.0220 1849 TYR 252 CE1 0.0179 0.0040 -0.0196 1850 TYR 252 CZ 0.0158 0.0036 -0.0194 1851 TYR 252 OH 0.0171 0.0019 -0.0170 1852 TYR 252 HH 0.0195 0.0011 -0.0156 1853 TYR 252 CE2 0.0124 0.0050 -0.0217 1854 TYR 252 CD2 0.0110 0.0067 -0.0242 1855 TYR 252 C 0.0048 0.0099 -0.0292 1856 TYR 252 O 0.0051 0.0120 -0.0318 1857 ILE 253 N 0.0075 0.0179 -0.0250 1858 ILE 253 H 0.0081 0.0135 -0.0226 1859 ILE 253 CA 0.0054 0.0178 -0.0273 1860 ILE 253 CB 0.0090 0.0204 -0.0244 1861 ILE 253 CG2 0.0109 0.0282 -0.0253 1862 ILE 253 CG1 0.0128 0.0166 -0.0185 1863 ILE 253 CD1 0.0159 0.0184 -0.0158 1864 ILE 253 C 0.0022 0.0109 -0.0282 1865 ILE 253 O 0.0023 0.0060 -0.0261 1866 SER 254 N -0.0007 0.0103 -0.0312 1867 SER 254 H -0.0006 0.0144 -0.0327 1868 SER 254 CA -0.0042 0.0043 -0.0327 1869 SER 254 CB -0.0072 0.0060 -0.0368 1870 SER 254 OG -0.0042 0.0086 -0.0345 1871 SER 254 HG -0.0063 0.0099 -0.0374 1872 SER 254 C -0.0022 -0.0015 -0.0282 1873 SER 254 O -0.0050 -0.0071 -0.0291 1874 ARG 255 N -0.0014 -0.0098 -0.0139 1875 ARG 255 H -0.0021 -0.0033 -0.0110 1876 ARG 255 CA -0.0007 -0.0160 -0.0067 1877 ARG 255 CB -0.0012 -0.0126 0.0045 1878 ARG 255 CG -0.0010 -0.0143 0.0093 1879 ARG 255 CD -0.0014 -0.0115 0.0206 1880 ARG 255 NE -0.0012 -0.0135 0.0239 1881 ARG 255 HE -0.0008 -0.0168 0.0190 1882 ARG 255 CZ -0.0015 -0.0109 0.0334 1883 ARG 255 NH1 -0.0021 -0.0062 0.0405 1884 ARG 255 1HH1 -0.0022 -0.0046 0.0389 1885 ARG 255 2HH1 -0.0023 -0.0045 0.0474 1886 ARG 255 NH2 -0.0013 -0.0132 0.0359 1887 ARG 255 1HH2 -0.0008 -0.0167 0.0308 1888 ARG 255 2HH2 -0.0015 -0.0117 0.0429 1889 ARG 255 C -0.0005 -0.0174 -0.0095 1890 ARG 255 O 0.0001 -0.0236 -0.0049 1891 ARG 256 N -0.0011 -0.0115 -0.0170 1892 ARG 256 H -0.0017 -0.0062 -0.0205 1893 ARG 256 CA -0.0010 -0.0122 -0.0207 1894 ARG 256 CB -0.0022 -0.0019 -0.0236 1895 ARG 256 CG -0.0030 0.0048 -0.0143 1896 ARG 256 CD -0.0025 0.0004 -0.0070 1897 ARG 256 NE -0.0023 -0.0010 -0.0126 1898 ARG 256 HE -0.0027 0.0022 -0.0194 1899 ARG 256 CZ -0.0017 -0.0067 -0.0085 1900 ARG 256 NH1 -0.0013 -0.0113 0.0009 1901 ARG 256 1HH1 -0.0014 -0.0104 0.0051 1902 ARG 256 2HH1 -0.0008 -0.0155 0.0036 1903 ARG 256 NH2 -0.0015 -0.0081 -0.0141 1904 ARG 256 1HH2 -0.0018 -0.0050 -0.0211 1905 ARG 256 2HH2 -0.0011 -0.0124 -0.0113 1906 ARG 256 C -0.0001 -0.0197 -0.0293 1907 ARG 256 O -0.0000 -0.0205 -0.0332 1908 LEU 257 N -0.0036 -0.0081 -0.0122 1909 LEU 257 H -0.0027 -0.0049 -0.0111 1910 LEU 257 CA -0.0056 -0.0070 -0.0105 1911 LEU 257 CB -0.0066 -0.0011 -0.0070 1912 LEU 257 CG -0.0115 -0.0001 -0.0037 1913 LEU 257 CD1 -0.0118 0.0060 -0.0005 1914 LEU 257 CD2 -0.0168 -0.0040 -0.0027 1915 LEU 257 C -0.0019 -0.0082 -0.0132 1916 LEU 257 O -0.0038 -0.0102 -0.0132 1917 LEU 258 N 0.0035 -0.0068 -0.0156 1918 LEU 258 H 0.0047 -0.0050 -0.0154 1919 LEU 258 CA 0.0078 -0.0079 -0.0186 1920 LEU 258 CB 0.0078 -0.0141 -0.0217 1921 LEU 258 CG 0.0086 -0.0172 -0.0237 1922 LEU 258 CD1 0.0079 -0.0234 -0.0264 1923 LEU 258 CD2 0.0139 -0.0146 -0.0254 1924 LEU 258 C 0.0084 -0.0053 -0.0176 1925 LEU 258 O 0.0121 -0.0012 -0.0177 1926 GLY 259 N 0.0175 -0.0078 -0.0198 1927 GLY 259 H 0.0107 -0.0117 -0.0212 1928 GLY 259 CA 0.0217 -0.0061 -0.0197 1929 GLY 259 C 0.0221 0.0016 -0.0115 1930 GLY 259 O 0.0295 0.0053 -0.0105 1931 THR 260 N 0.0140 0.0040 -0.0054 1932 THR 260 H 0.0082 0.0007 -0.0066 1933 THR 260 CA 0.0124 0.0112 0.0032 1934 THR 260 CB 0.0185 0.0176 0.0076 1935 THR 260 CG2 0.0153 0.0159 0.0071 1936 THR 260 OG1 0.0292 0.0187 0.0043 1937 THR 260 HG1 0.0310 0.0209 0.0060 1938 THR 260 C 0.0133 0.0135 0.0053 1939 THR 260 O 0.0142 0.0200 0.0121 1940 PHE 261 N 0.0004 0.0036 0.0115 1941 PHE 261 H 0.0016 0.0012 0.0121 1942 PHE 261 CA -0.0030 0.0047 0.0133 1943 PHE 261 CB -0.0040 0.0021 0.0155 1944 PHE 261 CG -0.0074 0.0034 0.0172 1945 PHE 261 CD1 -0.0084 0.0059 0.0164 1946 PHE 261 CE1 -0.0116 0.0071 0.0180 1947 PHE 261 CZ -0.0140 0.0056 0.0205 1948 PHE 261 CE2 -0.0130 0.0030 0.0214 1949 PHE 261 CD2 -0.0098 0.0019 0.0197 1950 PHE 261 C -0.0049 0.0050 0.0144 1951 PHE 261 O -0.0039 0.0027 0.0151 1952 THR 262 N -0.0074 0.0079 0.0145 1953 THR 262 H -0.0082 0.0098 0.0140 1954 THR 262 CA -0.0091 0.0082 0.0156 1955 THR 262 CB -0.0091 0.0114 0.0136 1956 THR 262 CG2 -0.0109 0.0117 0.0147 1957 THR 262 OG1 -0.0058 0.0113 0.0113 1958 THR 262 HG1 -0.0049 0.0116 0.0105 1959 THR 262 C -0.0126 0.0081 0.0181 1960 THR 262 O -0.0144 0.0101 0.0182 1961 TRP 263 N -0.0048 0.0030 0.0207 1962 TRP 263 H -0.0038 0.0054 0.0211 1963 TRP 263 CA -0.0065 0.0011 0.0178 1964 TRP 263 CB -0.0068 0.0017 0.0169 1965 TRP 263 CG -0.0064 -0.0004 0.0194 1966 TRP 263 CD1 -0.0049 0.0009 0.0220 1967 TRP 263 NE1 -0.0052 -0.0019 0.0236 1968 TRP 263 HE1 -0.0043 -0.0017 0.0256 1969 TRP 263 CE2 -0.0069 -0.0051 0.0220 1970 TRP 263 CZ2 -0.0078 -0.0086 0.0226 1971 TRP 263 CH2 -0.0096 -0.0113 0.0205 1972 TRP 263 CZ3 -0.0104 -0.0104 0.0179 1973 TRP 263 CE3 -0.0095 -0.0069 0.0173 1974 TRP 263 CD2 -0.0077 -0.0042 0.0194 1975 TRP 263 C -0.0075 0.0024 0.0145 1976 TRP 263 O -0.0070 0.0056 0.0130 1977 THR 264 N -0.0088 -0.0002 0.0135 1978 THR 264 H -0.0090 -0.0028 0.0149 1979 THR 264 CA -0.0098 0.0002 0.0105 1980 THR 264 CB -0.0104 -0.0024 0.0111 1981 THR 264 CG2 -0.0115 -0.0017 0.0080 1982 THR 264 OG1 -0.0089 -0.0017 0.0143 1983 THR 264 HG1 -0.0084 -0.0026 0.0163 1984 THR 264 C -0.0114 -0.0003 0.0071 1985 THR 264 O -0.0121 -0.0027 0.0072 1986 LEU 265 N -0.0007 0.0002 -0.0015 1987 LEU 265 H -0.0010 0.0004 -0.0007 1988 LEU 265 CA -0.0003 0.0003 -0.0034 1989 LEU 265 CB -0.0005 0.0017 -0.0040 1990 LEU 265 CG -0.0013 0.0036 -0.0035 1991 LEU 265 CD1 -0.0015 0.0048 -0.0041 1992 LEU 265 CD2 -0.0013 0.0044 -0.0043 1993 LEU 265 C 0.0005 -0.0015 -0.0041 1994 LEU 265 O 0.0010 -0.0018 -0.0057 1995 SER 266 N 0.0005 -0.0026 -0.0028 1996 SER 266 H 0.0001 -0.0023 -0.0016 1997 SER 266 CA 0.0012 -0.0044 -0.0032 1998 SER 266 CB 0.0011 -0.0056 -0.0015 1999 SER 266 OG 0.0007 -0.0049 -0.0007 2000 SER 266 HG 0.0007 -0.0057 0.0003 2001 SER 266 C 0.0017 -0.0055 -0.0039 2002 SER 266 O 0.0023 -0.0066 -0.0050 2003 ASP 267 N 0.0063 -0.0103 -0.0028 2004 ASP 267 H 0.0071 -0.0089 -0.0011 2005 ASP 267 CA 0.0066 -0.0143 -0.0034 2006 ASP 267 CB 0.0083 -0.0155 -0.0010 2007 ASP 267 CG 0.0104 -0.0157 0.0025 2008 ASP 267 OD1 0.0107 -0.0156 0.0031 2009 ASP 267 OD2 0.0118 -0.0158 0.0048 2010 ASP 267 C 0.0047 -0.0151 -0.0069 2011 ASP 267 O 0.0043 -0.0181 -0.0085 2012 SER 268 N 0.0036 -0.0125 -0.0080 2013 SER 268 H 0.0040 -0.0101 -0.0066 2014 SER 268 CA 0.0017 -0.0128 -0.0112 2015 SER 268 CB 0.0009 -0.0096 -0.0117 2016 SER 268 OG 0.0022 -0.0098 -0.0095 2017 SER 268 HG 0.0017 -0.0074 -0.0097 2018 SER 268 C 0.0002 -0.0126 -0.0138 2019 SER 268 O -0.0009 -0.0149 -0.0164 2020 GLU 269 N 0.0064 -0.0066 -0.0127 2021 GLU 269 H 0.0065 -0.0062 -0.0121 2022 GLU 269 CA 0.0058 -0.0058 -0.0117 2023 GLU 269 CB 0.0044 -0.0045 -0.0101 2024 GLU 269 CG 0.0021 -0.0047 -0.0107 2025 GLU 269 CD 0.0008 -0.0051 -0.0114 2026 GLU 269 OE1 0.0002 -0.0062 -0.0130 2027 GLU 269 OE2 0.0006 -0.0043 -0.0104 2028 GLU 269 C 0.0077 -0.0055 -0.0111 2029 GLU 269 O 0.0072 -0.0051 -0.0106 2030 GLY 270 N 0.0097 -0.0057 -0.0111 2031 GLY 270 H 0.0100 -0.0061 -0.0115 2032 GLY 270 CA 0.0117 -0.0055 -0.0106 2033 GLY 270 C 0.0124 -0.0042 -0.0087 2034 GLY 270 O 0.0143 -0.0040 -0.0082 2035 LYS 271 N 0.0108 0.0235 -0.0056 2036 LYS 271 H 0.0075 0.0152 -0.0041 2037 LYS 271 CA 0.0108 0.0229 -0.0039 2038 LYS 271 CB 0.0131 0.0225 0.0112 2039 LYS 271 CG 0.0196 0.0352 0.0179 2040 LYS 271 CD 0.0225 0.0393 0.0251 2041 LYS 271 CE 0.0288 0.0511 0.0334 2042 LYS 271 NZ 0.0295 0.0485 0.0443 2043 LYS 271 HZ1 0.0277 0.0417 0.0514 2044 LYS 271 HZ2 0.0274 0.0452 0.0401 2045 LYS 271 HZ3 0.0338 0.0568 0.0491 2046 LYS 271 C 0.0048 0.0108 -0.0094 2047 LYS 271 O 0.0007 0.0014 -0.0099 2048 GLU 272 N 0.0042 0.0110 -0.0135 2049 GLU 272 H 0.0076 0.0189 -0.0131 2050 GLU 272 CA -0.0012 0.0003 -0.0188 2051 GLU 272 CB -0.0008 0.0035 -0.0244 2052 GLU 272 CG 0.0007 0.0119 -0.0377 2053 GLU 272 CD 0.0008 0.0139 -0.0421 2054 GLU 272 OE1 -0.0036 0.0043 -0.0443 2055 GLU 272 OE2 0.0054 0.0251 -0.0432 2056 GLU 272 C -0.0038 -0.0099 -0.0075 2057 GLU 272 O -0.0089 -0.0212 -0.0096 2058 THR 273 N 0.0052 -0.0095 0.0010 2059 THR 273 H 0.0071 -0.0089 0.0012 2060 THR 273 CA 0.0060 -0.0117 0.0028 2061 THR 273 CB 0.0056 -0.0149 0.0051 2062 THR 273 CG2 0.0017 -0.0162 0.0048 2063 THR 273 OG1 0.0078 -0.0150 0.0059 2064 THR 273 HG1 0.0080 -0.0171 0.0075 2065 THR 273 C 0.0097 -0.0105 0.0032 2066 THR 273 O 0.0123 -0.0116 0.0049 2067 PRO 274 N 0.0100 -0.0082 0.0016 2068 PRO 274 CA 0.0133 -0.0068 0.0017 2069 PRO 274 CB 0.0129 -0.0036 -0.0009 2070 PRO 274 CG 0.0088 -0.0038 -0.0020 2071 PRO 274 CD 0.0070 -0.0068 -0.0004 2072 PRO 274 C 0.0135 -0.0086 0.0030 2073 PRO 274 O 0.0118 -0.0112 0.0043 2074 GLY 275 N 0.0115 0.0013 -0.0089 2075 GLY 275 H 0.0128 0.0014 -0.0108 2076 GLY 275 CA 0.0105 0.0026 -0.0098 2077 GLY 275 C 0.0075 0.0052 -0.0101 2078 GLY 275 O 0.0064 0.0058 -0.0098 2079 GLY 276 N 0.0061 0.0067 -0.0108 2080 GLY 276 H 0.0070 0.0061 -0.0111 2081 GLY 276 CA 0.0033 0.0091 -0.0112 2082 GLY 276 C 0.0035 0.0109 -0.0144 2083 GLY 276 O 0.0052 0.0110 -0.0168 2084 TYR 277 N 0.0024 0.0123 -0.0161 2085 TYR 277 H 0.0033 0.0131 -0.0142 2086 TYR 277 CA 0.0023 0.0109 -0.0166 2087 TYR 277 CB 0.0037 0.0106 -0.0138 2088 TYR 277 CG 0.0036 0.0090 -0.0142 2089 TYR 277 CD1 0.0035 0.0058 -0.0148 2090 TYR 277 CE1 0.0034 0.0042 -0.0151 2091 TYR 277 CZ 0.0035 0.0058 -0.0148 2092 TYR 277 OH 0.0034 0.0041 -0.0151 2093 TYR 277 HH 0.0034 0.0019 -0.0155 2094 TYR 277 CE2 0.0036 0.0089 -0.0141 2095 TYR 277 CD2 0.0037 0.0105 -0.0138 2096 TYR 277 C 0.0011 0.0129 -0.0186 2097 TYR 277 O 0.0011 0.0157 -0.0182 2098 CYS 278 N 0.0000 0.0113 -0.0208 2099 CYS 278 H 0.0001 0.0090 -0.0211 2100 CYS 278 CA -0.0012 0.0128 -0.0230 2101 CYS 278 CB -0.0025 0.0113 -0.0259 2102 CYS 278 SG -0.0032 0.0116 -0.0270 2103 CYS 278 C -0.0009 0.0127 -0.0224 2104 CYS 278 O -0.0003 0.0103 -0.0217 2105 LEU 279 N 0.0011 0.0186 -0.0208 2106 LEU 279 H 0.0006 0.0185 -0.0200 2107 LEU 279 CA 0.0006 0.0175 -0.0218 2108 LEU 279 CB -0.0000 0.0165 -0.0221 2109 LEU 279 CG 0.0006 0.0166 -0.0232 2110 LEU 279 CD1 0.0015 0.0178 -0.0229 2111 LEU 279 CD2 -0.0002 0.0156 -0.0235 2112 LEU 279 C 0.0000 0.0171 -0.0212 2113 LEU 279 O -0.0007 0.0169 -0.0201 2114 THR 280 N 0.0003 0.0169 -0.0221 2115 THR 280 H 0.0009 0.0171 -0.0230 2116 THR 280 CA -0.0001 0.0166 -0.0218 2117 THR 280 CB 0.0006 0.0168 -0.0229 2118 THR 280 CG2 0.0017 0.0181 -0.0227 2119 THR 280 OG1 0.0007 0.0161 -0.0243 2120 THR 280 HG1 0.0003 0.0155 -0.0245 2121 THR 280 C -0.0012 0.0153 -0.0218 2122 THR 280 O -0.0016 0.0146 -0.0224 2123 ARG 281 N -0.0061 0.0175 -0.0190 2124 ARG 281 H -0.0081 0.0221 -0.0154 2125 ARG 281 CA -0.0061 0.0093 -0.0150 2126 ARG 281 CB -0.0093 0.0096 -0.0058 2127 ARG 281 CG -0.0109 0.0133 -0.0028 2128 ARG 281 CD -0.0140 0.0134 0.0063 2129 ARG 281 NE -0.0154 0.0181 0.0083 2130 ARG 281 HE -0.0168 0.0241 0.0094 2131 ARG 281 CZ -0.0150 0.0145 0.0087 2132 ARG 281 NH1 -0.0131 0.0063 0.0073 2133 ARG 281 1HH1 -0.0120 0.0028 0.0058 2134 ARG 281 2HH1 -0.0129 0.0039 0.0077 2135 ARG 281 NH2 -0.0164 0.0194 0.0107 2136 ARG 281 1HH2 -0.0178 0.0254 0.0118 2137 ARG 281 2HH2 -0.0161 0.0170 0.0110 2138 ARG 281 C -0.0041 0.0036 -0.0182 2139 ARG 281 O -0.0030 -0.0040 -0.0179 2140 TRP 282 N -0.0037 0.0071 -0.0212 2141 TRP 282 H -0.0047 0.0132 -0.0212 2142 TRP 282 CA -0.0017 0.0023 -0.0245 2143 TRP 282 CB -0.0020 0.0075 -0.0263 2144 TRP 282 CG -0.0049 0.0102 -0.0190 2145 TRP 282 CD1 -0.0072 0.0180 -0.0161 2146 TRP 282 NE1 -0.0094 0.0180 -0.0095 2147 TRP 282 HE1 -0.0113 0.0229 -0.0063 2148 TRP 282 CE2 -0.0086 0.0102 -0.0080 2149 TRP 282 CZ2 -0.0101 0.0070 -0.0021 2150 TRP 282 CH2 -0.0087 -0.0015 -0.0021 2151 TRP 282 CZ3 -0.0059 -0.0065 -0.0080 2152 TRP 282 CE3 -0.0044 -0.0033 -0.0140 2153 TRP 282 CD2 -0.0058 0.0050 -0.0139 2154 TRP 282 C 0.0014 -0.0010 -0.0323 2155 TRP 282 O 0.0031 -0.0083 -0.0337 2156 MET 283 N 0.0007 0.0035 -0.0203 2157 MET 283 H 0.0006 0.0037 -0.0203 2158 MET 283 CA 0.0007 0.0034 -0.0206 2159 MET 283 CB 0.0005 0.0035 -0.0209 2160 MET 283 CG 0.0005 0.0034 -0.0212 2161 MET 283 SD 0.0004 0.0035 -0.0213 2162 MET 283 CE 0.0004 0.0032 -0.0216 2163 MET 283 C 0.0008 0.0031 -0.0206 2164 MET 283 O 0.0008 0.0029 -0.0208 2165 LEU 284 N 0.0009 0.0030 -0.0205 2166 LEU 284 H 0.0009 0.0032 -0.0204 2167 LEU 284 CA 0.0010 0.0027 -0.0205 2168 LEU 284 CB 0.0011 0.0027 -0.0204 2169 LEU 284 CG 0.0009 0.0029 -0.0206 2170 LEU 284 CD1 0.0010 0.0028 -0.0205 2171 LEU 284 CD2 0.0009 0.0027 -0.0210 2172 LEU 284 C 0.0012 0.0026 -0.0202 2173 LEU 284 O 0.0012 0.0027 -0.0200 2174 ILE 285 N 0.0002 -0.0105 -0.0185 2175 ILE 285 H 0.0005 -0.0107 -0.0199 2176 ILE 285 CA 0.0001 -0.0134 -0.0165 2177 ILE 285 CB 0.0004 -0.0167 -0.0176 2178 ILE 285 CG2 0.0003 -0.0166 -0.0168 2179 ILE 285 CG1 0.0003 -0.0199 -0.0162 2180 ILE 285 CD1 0.0006 -0.0205 -0.0177 2181 ILE 285 C -0.0005 -0.0126 -0.0128 2182 ILE 285 O -0.0008 -0.0139 -0.0106 2183 GLU 286 N -0.0007 -0.0105 -0.0121 2184 GLU 286 H -0.0005 -0.0095 -0.0139 2185 GLU 286 CA -0.0013 -0.0094 -0.0087 2186 GLU 286 CB -0.0013 -0.0089 -0.0084 2187 GLU 286 CG -0.0011 -0.0122 -0.0088 2188 GLU 286 CD -0.0012 -0.0115 -0.0086 2189 GLU 286 OE1 -0.0016 -0.0100 -0.0061 2190 GLU 286 OE2 -0.0008 -0.0126 -0.0110 2191 GLU 286 C -0.0016 -0.0064 -0.0072 2192 GLU 286 O -0.0015 -0.0043 -0.0090 2193 ALA 287 N -0.0236 -0.0149 -0.0012 2194 ALA 287 H -0.0279 -0.0207 0.0048 2195 ALA 287 CA -0.0210 -0.0062 0.0038 2196 ALA 287 CB -0.0258 -0.0096 0.0160 2197 ALA 287 C -0.0162 0.0059 0.0067 2198 ALA 287 O -0.0116 0.0150 0.0051 2199 GLU 288 N -0.0173 0.0064 0.0116 2200 GLU 288 H -0.0211 -0.0011 0.0131 2201 GLU 288 CA -0.0131 0.0174 0.0147 2202 GLU 288 CB -0.0160 0.0164 0.0241 2203 GLU 288 CG -0.0208 0.0137 0.0375 2204 GLU 288 CD -0.0234 0.0134 0.0464 2205 GLU 288 OE1 -0.0216 0.0150 0.0425 2206 GLU 288 OE2 -0.0273 0.0114 0.0577 2207 GLU 288 C -0.0079 0.0218 0.0030 2208 GLU 288 O -0.0089 0.0148 -0.0053 2209 LEU 289 N -0.0019 0.0167 -0.0003 2210 LEU 289 H -0.0026 0.0192 0.0029 2211 LEU 289 CA -0.0012 0.0195 -0.0056 2212 LEU 289 CB -0.0017 0.0257 -0.0053 2213 LEU 289 CG -0.0018 0.0272 -0.0058 2214 LEU 289 CD1 -0.0023 0.0248 -0.0012 2215 LEU 289 CD2 -0.0021 0.0335 -0.0066 2216 LEU 289 C -0.0008 0.0192 -0.0080 2217 LEU 289 O -0.0014 0.0202 -0.0050 2218 LYS 290 N 0.0001 0.0178 -0.0133 2219 LYS 290 H 0.0005 0.0175 -0.0158 2220 LYS 290 CA 0.0005 0.0176 -0.0158 2221 LYS 290 CB 0.0014 0.0120 -0.0184 2222 LYS 290 CG 0.0010 0.0075 -0.0140 2223 LYS 290 CD 0.0017 0.0017 -0.0160 2224 LYS 290 CE 0.0013 -0.0023 -0.0112 2225 LYS 290 NZ 0.0020 -0.0079 -0.0132 2226 LYS 290 HZ1 0.0023 -0.0101 -0.0138 2227 LYS 290 HZ2 0.0025 -0.0076 -0.0168 2228 LYS 290 HZ3 0.0016 -0.0099 -0.0101 2229 LYS 290 C 0.0008 0.0224 -0.0195 2230 LYS 290 O 0.0013 0.0234 -0.0235 2231 CYS 291 N 0.0015 0.0105 -0.0132 2232 CYS 291 H 0.0014 0.0103 -0.0126 2233 CYS 291 CA 0.0020 0.0111 -0.0132 2234 CYS 291 CB 0.0024 0.0115 -0.0124 2235 CYS 291 SG 0.0027 0.0119 -0.0122 2236 CYS 291 C 0.0018 0.0108 -0.0133 2237 CYS 291 O 0.0013 0.0103 -0.0129 2238 PHE 292 N 0.0022 0.0112 -0.0137 2239 PHE 292 H 0.0026 0.0117 -0.0139 2240 PHE 292 CA 0.0021 0.0111 -0.0138 2241 PHE 292 CB 0.0020 0.0110 -0.0148 2242 PHE 292 CG 0.0015 0.0103 -0.0151 2243 PHE 292 CD1 0.0014 0.0103 -0.0156 2244 PHE 292 CE1 0.0009 0.0097 -0.0158 2245 PHE 292 CZ 0.0004 0.0091 -0.0157 2246 PHE 292 CE2 0.0004 0.0091 -0.0152 2247 PHE 292 CD2 0.0009 0.0097 -0.0150 2248 PHE 292 C 0.0026 0.0117 -0.0134 2249 PHE 292 O 0.0030 0.0121 -0.0129 2250 GLY 293 N 0.0032 0.0094 -0.0116 2251 GLY 293 H 0.0023 0.0106 -0.0107 2252 GLY 293 CA 0.0034 0.0071 -0.0108 2253 GLY 293 C 0.0027 0.0061 -0.0092 2254 GLY 293 O 0.0019 0.0074 -0.0086 2255 ASN 294 N 0.0028 0.0039 -0.0084 2256 ASN 294 H 0.0034 0.0030 -0.0089 2257 ASN 294 CA 0.0023 0.0025 -0.0069 2258 ASN 294 CB 0.0026 0.0000 -0.0063 2259 ASN 294 CG 0.0041 -0.0014 -0.0080 2260 ASN 294 OD1 0.0049 -0.0010 -0.0096 2261 ASN 294 ND2 0.0045 -0.0032 -0.0078 2262 ASN 294 1HD2 0.0055 -0.0042 -0.0090 2263 ASN 294 2HD2 0.0038 -0.0035 -0.0066 2264 ASN 294 C 0.0008 0.0036 -0.0049 2265 ASN 294 O 0.0001 0.0038 -0.0039 2266 THR 295 N 0.0000 0.0054 -0.0076 2267 THR 295 H 0.0005 0.0051 -0.0077 2268 THR 295 CA -0.0007 0.0054 -0.0074 2269 THR 295 CB -0.0005 0.0050 -0.0074 2270 THR 295 CG2 -0.0013 0.0049 -0.0072 2271 THR 295 OG1 -0.0003 0.0041 -0.0074 2272 THR 295 HG1 0.0002 0.0041 -0.0075 2273 THR 295 C -0.0010 0.0063 -0.0074 2274 THR 295 O -0.0018 0.0065 -0.0073 2275 ALA 296 N -0.0005 0.0070 -0.0077 2276 ALA 296 H 0.0002 0.0069 -0.0078 2277 ALA 296 CA -0.0007 0.0079 -0.0077 2278 ALA 296 CB 0.0001 0.0084 -0.0079 2279 ALA 296 C -0.0011 0.0083 -0.0076 2280 ALA 296 O -0.0016 0.0089 -0.0076 2281 VAL 297 N -0.0015 0.0051 -0.0062 2282 VAL 297 H -0.0010 0.0039 -0.0068 2283 VAL 297 CA -0.0022 0.0049 -0.0054 2284 VAL 297 CB -0.0014 0.0037 -0.0063 2285 VAL 297 CG1 -0.0022 0.0035 -0.0054 2286 VAL 297 CG2 -0.0001 0.0047 -0.0077 2287 VAL 297 C -0.0035 0.0039 -0.0040 2288 VAL 297 O -0.0045 0.0047 -0.0029 2289 ALA 298 N -0.0034 0.0023 -0.0041 2290 ALA 298 H -0.0026 0.0017 -0.0050 2291 ALA 298 CA -0.0046 0.0011 -0.0028 2292 ALA 298 CB -0.0042 -0.0007 -0.0032 2293 ALA 298 C -0.0056 0.0022 -0.0017 2294 ALA 298 O -0.0067 0.0021 -0.0004 2295 LYS 299 N -0.0051 0.0045 -0.0050 2296 LYS 299 H -0.0047 0.0047 -0.0061 2297 LYS 299 CA -0.0041 0.0055 -0.0042 2298 LYS 299 CB -0.0027 0.0065 -0.0054 2299 LYS 299 CG -0.0030 0.0060 -0.0071 2300 LYS 299 CD -0.0016 0.0070 -0.0083 2301 LYS 299 CE -0.0021 0.0064 -0.0098 2302 LYS 299 NZ -0.0007 0.0073 -0.0108 2303 LYS 299 HZ1 0.0000 0.0081 -0.0098 2304 LYS 299 HZ2 -0.0010 0.0070 -0.0115 2305 LYS 299 HZ3 -0.0002 0.0076 -0.0118 2306 LYS 299 C -0.0038 0.0061 -0.0023 2307 LYS 299 O -0.0037 0.0064 -0.0010 2308 CYS 300 N -0.0036 0.0063 -0.0019 2309 CYS 300 H -0.0037 0.0061 -0.0029 2310 CYS 300 CA -0.0033 0.0069 -0.0001 2311 CYS 300 CB -0.0029 0.0072 -0.0001 2312 CYS 300 SG -0.0011 0.0086 -0.0013 2313 CYS 300 C -0.0045 0.0061 0.0015 2314 CYS 300 O -0.0042 0.0066 0.0032 2315 ASN 301 N -0.0029 0.0060 -0.0007 2316 ASN 301 H -0.0020 0.0045 -0.0027 2317 ASN 301 CA -0.0049 0.0047 0.0014 2318 ASN 301 CB -0.0054 0.0009 0.0005 2319 ASN 301 CG -0.0040 0.0002 -0.0018 2320 ASN 301 OD1 -0.0032 0.0021 -0.0021 2321 ASN 301 ND2 -0.0036 -0.0027 -0.0036 2322 ASN 301 1HD2 -0.0026 -0.0035 -0.0052 2323 ASN 301 2HD2 -0.0042 -0.0042 -0.0034 2324 ASN 301 C -0.0068 0.0050 0.0041 2325 ASN 301 O -0.0081 0.0063 0.0064 2326 GLU 302 N -0.0069 0.0039 0.0038 2327 GLU 302 H -0.0058 0.0030 0.0019 2328 GLU 302 CA -0.0087 0.0040 0.0062 2329 GLU 302 CB -0.0091 0.0012 0.0055 2330 GLU 302 CG -0.0099 -0.0024 0.0051 2331 GLU 302 CD -0.0102 -0.0051 0.0043 2332 GLU 302 OE1 -0.0098 -0.0043 0.0041 2333 GLU 302 OE2 -0.0110 -0.0081 0.0040 2334 GLU 302 C -0.0083 0.0072 0.0071 2335 GLU 302 O -0.0098 0.0084 0.0097 2336 LYS 303 N -0.0067 0.0065 0.0030 2337 LYS 303 H -0.0068 0.0063 0.0023 2338 LYS 303 CA -0.0049 0.0069 0.0032 2339 LYS 303 CB -0.0035 0.0071 0.0020 2340 LYS 303 CG -0.0036 0.0068 0.0000 2341 LYS 303 CD -0.0021 0.0070 -0.0011 2342 LYS 303 CE -0.0021 0.0067 -0.0030 2343 LYS 303 NZ -0.0005 0.0069 -0.0040 2344 LYS 303 HZ1 -0.0006 0.0068 -0.0043 2345 LYS 303 HZ2 0.0006 0.0073 -0.0031 2346 LYS 303 HZ3 -0.0002 0.0068 -0.0051 2347 LYS 303 C -0.0041 0.0074 0.0050 2348 LYS 303 O -0.0044 0.0075 0.0061 2349 HIS 304 N -0.0032 0.0076 0.0053 2350 HIS 304 H -0.0032 0.0075 0.0044 2351 HIS 304 CA -0.0023 0.0081 0.0069 2352 HIS 304 CB -0.0030 0.0080 0.0078 2353 HIS 304 CG -0.0048 0.0077 0.0086 2354 HIS 304 ND1 -0.0063 0.0072 0.0077 2355 HIS 304 CE1 -0.0077 0.0071 0.0088 2356 HIS 304 NE2 -0.0072 0.0075 0.0104 2357 HIS 304 CD2 -0.0053 0.0079 0.0103 2358 HIS 304 C -0.0004 0.0085 0.0065 2359 HIS 304 O 0.0007 0.0089 0.0077 2360 ASP 305 N -0.0013 0.0048 0.0032 2361 ASP 305 H -0.0020 0.0046 0.0024 2362 ASP 305 CA 0.0002 0.0050 0.0026 2363 ASP 305 CB 0.0003 0.0047 0.0011 2364 ASP 305 CG -0.0005 0.0044 -0.0000 2365 ASP 305 OD1 -0.0018 0.0042 0.0001 2366 ASP 305 OD2 0.0002 0.0043 -0.0011 2367 ASP 305 C 0.0012 0.0052 0.0027 2368 ASP 305 O 0.0025 0.0054 0.0027 2369 GLU 306 N 0.0006 0.0051 0.0028 2370 GLU 306 H -0.0005 0.0049 0.0027 2371 GLU 306 CA 0.0015 0.0052 0.0029 2372 GLU 306 CB 0.0011 0.0050 0.0018 2373 GLU 306 CG 0.0014 0.0048 0.0002 2374 GLU 306 CD 0.0030 0.0049 -0.0004 2375 GLU 306 OE1 0.0040 0.0052 0.0004 2376 GLU 306 OE2 0.0032 0.0047 -0.0017 2377 GLU 306 C 0.0014 0.0055 0.0044 2378 GLU 306 O 0.0002 0.0054 0.0050 2379 GLU 307 N 0.0003 0.0029 0.0037 2380 GLU 307 H 0.0008 0.0032 0.0034 2381 GLU 307 CA 0.0006 0.0039 0.0041 2382 GLU 307 CB 0.0014 0.0053 0.0042 2383 GLU 307 CG 0.0010 0.0060 0.0051 2384 GLU 307 CD 0.0011 0.0056 0.0048 2385 GLU 307 OE1 0.0014 0.0047 0.0038 2386 GLU 307 OE2 0.0008 0.0062 0.0056 2387 GLU 307 C 0.0009 0.0035 0.0035 2388 GLU 307 O 0.0007 0.0039 0.0040 2389 PHE 308 N 0.0014 0.0027 0.0023 2390 PHE 308 H 0.0016 0.0024 0.0019 2391 PHE 308 CA 0.0018 0.0023 0.0016 2392 PHE 308 CB 0.0024 0.0015 0.0003 2393 PHE 308 CG 0.0029 0.0011 -0.0005 2394 PHE 308 CD1 0.0037 0.0021 -0.0007 2395 PHE 308 CE1 0.0041 0.0018 -0.0014 2396 PHE 308 CZ 0.0038 0.0005 -0.0020 2397 PHE 308 CE2 0.0030 -0.0005 -0.0018 2398 PHE 308 CD2 0.0026 -0.0002 -0.0011 2399 PHE 308 C 0.0009 0.0014 0.0020 2400 PHE 308 O 0.0010 0.0015 0.0019 2401 CYS 309 N -0.0022 0.0047 0.0031 2402 CYS 309 H -0.0019 0.0049 0.0030 2403 CYS 309 CA -0.0033 0.0040 0.0035 2404 CYS 309 CB -0.0037 0.0038 0.0036 2405 CYS 309 SG -0.0036 0.0035 0.0021 2406 CYS 309 C -0.0034 0.0042 0.0048 2407 CYS 309 O -0.0041 0.0038 0.0051 2408 ASP 310 N -0.0028 0.0048 0.0055 2409 ASP 310 H -0.0022 0.0052 0.0052 2410 ASP 310 CA -0.0028 0.0050 0.0068 2411 ASP 310 CB -0.0020 0.0057 0.0074 2412 ASP 310 CG -0.0024 0.0055 0.0075 2413 ASP 310 OD1 -0.0033 0.0049 0.0073 2414 ASP 310 OD2 -0.0017 0.0060 0.0078 2415 ASP 310 C -0.0026 0.0052 0.0069 2416 ASP 310 O -0.0032 0.0050 0.0076 2417 MET 311 N 0.0024 0.0055 0.0019 2418 MET 311 H 0.0026 0.0060 0.0016 2419 MET 311 CA 0.0017 0.0050 0.0022 2420 MET 311 CB 0.0015 0.0053 0.0020 2421 MET 311 CG 0.0023 0.0051 0.0021 2422 MET 311 SD 0.0026 0.0041 0.0027 2423 MET 311 CE 0.0016 0.0037 0.0030 2424 MET 311 C 0.0008 0.0050 0.0022 2425 MET 311 O 0.0005 0.0043 0.0025 2426 LEU 312 N 0.0006 0.0056 0.0018 2427 LEU 312 H 0.0009 0.0061 0.0015 2428 LEU 312 CA -0.0002 0.0056 0.0017 2429 LEU 312 CB -0.0005 0.0063 0.0013 2430 LEU 312 CG -0.0009 0.0069 0.0009 2431 LEU 312 CD1 -0.0011 0.0077 0.0004 2432 LEU 312 CD2 -0.0017 0.0065 0.0011 2433 LEU 312 C -0.0001 0.0051 0.0021 2434 LEU 312 O -0.0007 0.0046 0.0023 2435 ARG 313 N -0.0035 0.0047 0.0085 2436 ARG 313 H -0.0030 0.0051 0.0084 2437 ARG 313 CA -0.0040 0.0041 0.0096 2438 ARG 313 CB -0.0039 0.0043 0.0103 2439 ARG 313 CG -0.0042 0.0040 0.0096 2440 ARG 313 CD -0.0040 0.0041 0.0103 2441 ARG 313 NE -0.0043 0.0039 0.0095 2442 ARG 313 HE -0.0045 0.0037 0.0086 2443 ARG 313 CZ -0.0041 0.0040 0.0098 2444 ARG 313 NH1 -0.0038 0.0043 0.0110 2445 ARG 313 1HH1 -0.0037 0.0044 0.0116 2446 ARG 313 2HH1 -0.0037 0.0044 0.0112 2447 ARG 313 NH2 -0.0043 0.0039 0.0090 2448 ARG 313 1HH2 -0.0045 0.0037 0.0081 2449 ARG 313 2HH2 -0.0041 0.0040 0.0092 2450 ARG 313 C -0.0038 0.0043 0.0104 2451 ARG 313 O -0.0045 0.0037 0.0110 2452 LEU 314 N -0.0030 0.0051 0.0105 2453 LEU 314 H -0.0025 0.0056 0.0101 2454 LEU 314 CA -0.0027 0.0053 0.0113 2455 LEU 314 CB -0.0018 0.0063 0.0114 2456 LEU 314 CG -0.0012 0.0069 0.0121 2457 LEU 314 CD1 -0.0002 0.0079 0.0119 2458 LEU 314 CD2 -0.0014 0.0066 0.0135 2459 LEU 314 C -0.0032 0.0050 0.0108 2460 LEU 314 O -0.0035 0.0046 0.0115 2461 PHE 315 N 0.0045 0.0080 0.0024 2462 PHE 315 H 0.0047 0.0097 0.0022 2463 PHE 315 CA 0.0037 0.0062 -0.0012 2464 PHE 315 CB 0.0034 0.0078 -0.0050 2465 PHE 315 CG 0.0026 0.0060 -0.0086 2466 PHE 315 CD1 0.0025 0.0069 -0.0097 2467 PHE 315 CE1 0.0018 0.0053 -0.0131 2468 PHE 315 CZ 0.0011 0.0028 -0.0155 2469 PHE 315 CE2 0.0012 0.0019 -0.0144 2470 PHE 315 CD2 0.0019 0.0035 -0.0110 2471 PHE 315 C 0.0032 0.0017 -0.0008 2472 PHE 315 O 0.0028 -0.0002 -0.0021 2473 ASP 316 N 0.0033 0.0000 0.0011 2474 ASP 316 H 0.0037 0.0016 0.0022 2475 ASP 316 CA 0.0029 -0.0043 0.0016 2476 ASP 316 CB 0.0028 -0.0060 0.0028 2477 ASP 316 CG 0.0023 -0.0060 -0.0008 2478 ASP 316 OD1 0.0023 -0.0068 0.0000 2479 ASP 316 OD2 0.0019 -0.0052 -0.0042 2480 ASP 316 C 0.0031 -0.0058 0.0045 2481 ASP 316 O 0.0026 -0.0089 0.0038 2482 PHE 317 N -0.0001 -0.0055 0.0119 2483 PHE 317 H 0.0000 -0.0039 0.0123 2484 PHE 317 CA -0.0003 -0.0057 0.0140 2485 PHE 317 CB -0.0004 -0.0038 0.0166 2486 PHE 317 CG -0.0007 -0.0047 0.0189 2487 PHE 317 CD1 -0.0011 -0.0072 0.0204 2488 PHE 317 CE1 -0.0014 -0.0082 0.0225 2489 PHE 317 CZ -0.0013 -0.0066 0.0231 2490 PHE 317 CE2 -0.0009 -0.0042 0.0216 2491 PHE 317 CD2 -0.0006 -0.0032 0.0195 2492 PHE 317 C -0.0001 -0.0049 0.0125 2493 PHE 317 O -0.0003 -0.0062 0.0131 2494 ASN 318 N 0.0003 -0.0029 0.0105 2495 ASN 318 H 0.0005 -0.0018 0.0101 2496 ASN 318 CA 0.0006 -0.0020 0.0088 2497 ASN 318 CB 0.0011 0.0004 0.0067 2498 ASN 318 CG 0.0014 0.0016 0.0049 2499 ASN 318 OD1 0.0014 0.0029 0.0059 2500 ASN 318 ND2 0.0016 0.0013 0.0020 2501 ASN 318 1HD2 0.0018 0.0022 0.0007 2502 ASN 318 2HD2 0.0016 0.0003 0.0012 2503 ASN 318 C 0.0005 -0.0045 0.0071 2504 ASN 318 O 0.0004 -0.0050 0.0071 2505 LYS 319 N 0.0093 -0.0058 0.0038 2506 LYS 319 H 0.0096 -0.0056 0.0030 2507 LYS 319 CA 0.0084 -0.0094 0.0014 2508 LYS 319 CB 0.0080 -0.0121 -0.0018 2509 LYS 319 CG 0.0071 -0.0160 -0.0046 2510 LYS 319 CD 0.0067 -0.0186 -0.0075 2511 LYS 319 CE 0.0056 -0.0228 -0.0099 2512 LYS 319 NZ 0.0052 -0.0252 -0.0123 2513 LYS 319 HZ1 0.0065 -0.0234 -0.0147 2514 LYS 319 HZ2 0.0043 -0.0258 -0.0100 2515 LYS 319 HZ3 0.0043 -0.0280 -0.0139 2516 LYS 319 C 0.0063 -0.0123 0.0046 2517 LYS 319 O 0.0059 -0.0134 0.0043 2518 GLN 320 N 0.0050 -0.0133 0.0080 2519 GLN 320 H 0.0054 -0.0123 0.0083 2520 GLN 320 CA 0.0029 -0.0161 0.0113 2521 GLN 320 CB 0.0016 -0.0177 0.0141 2522 GLN 320 CG 0.0010 -0.0207 0.0113 2523 GLN 320 CD -0.0003 -0.0220 0.0142 2524 GLN 320 OE1 -0.0010 -0.0211 0.0183 2525 GLN 320 NE2 -0.0007 -0.0243 0.0119 2526 GLN 320 1HE2 -0.0015 -0.0252 0.0135 2527 GLN 320 2HE2 -0.0001 -0.0250 0.0085 2528 GLN 320 C 0.0030 -0.0141 0.0146 2529 GLN 320 O 0.0018 -0.0162 0.0158 2530 ALA 321 N 0.0019 -0.0017 0.0132 2531 ALA 321 H 0.0016 -0.0026 0.0137 2532 ALA 321 CA 0.0009 0.0002 0.0125 2533 ALA 321 CB -0.0009 0.0005 0.0126 2534 ALA 321 C 0.0025 0.0018 0.0116 2535 ALA 321 O 0.0022 0.0034 0.0109 2536 ILE 322 N 0.0042 0.0015 0.0115 2537 ILE 322 H 0.0044 0.0001 0.0121 2538 ILE 322 CA 0.0058 0.0029 0.0107 2539 ILE 322 CB 0.0074 0.0022 0.0108 2540 ILE 322 CG2 0.0093 0.0037 0.0099 2541 ILE 322 CG1 0.0061 0.0022 0.0110 2542 ILE 322 CD1 0.0074 0.0012 0.0112 2543 ILE 322 C 0.0071 0.0032 0.0104 2544 ILE 322 O 0.0075 0.0050 0.0096 2545 GLN 323 N 0.0158 -0.0028 0.0044 2546 GLN 323 H 0.0152 -0.0053 0.0050 2547 GLN 323 CA 0.0165 -0.0063 0.0039 2548 GLN 323 CB 0.0163 -0.0132 0.0043 2549 GLN 323 CG 0.0205 -0.0161 0.0008 2550 GLN 323 CD 0.0197 -0.0228 0.0017 2551 GLN 323 OE1 0.0158 -0.0253 0.0050 2552 GLN 323 NE2 0.0235 -0.0261 -0.0016 2553 GLN 323 1HE2 0.0233 -0.0306 -0.0012 2554 GLN 323 2HE2 0.0266 -0.0241 -0.0043 2555 GLN 323 C 0.0128 -0.0047 0.0071 2556 GLN 323 O 0.0138 -0.0043 0.0062 2557 ARG 324 N 0.0084 -0.0039 0.0109 2558 ARG 324 H 0.0076 -0.0045 0.0115 2559 ARG 324 CA 0.0045 -0.0025 0.0142 2560 ARG 324 CB -0.0002 -0.0029 0.0183 2561 ARG 324 CG -0.0016 -0.0094 0.0197 2562 ARG 324 CD -0.0062 -0.0096 0.0237 2563 ARG 324 NE -0.0068 -0.0161 0.0243 2564 ARG 324 HE -0.0041 -0.0191 0.0221 2565 ARG 324 CZ -0.0106 -0.0180 0.0277 2566 ARG 324 NH1 -0.0144 -0.0143 0.0308 2567 ARG 324 1HH1 -0.0144 -0.0100 0.0307 2568 ARG 324 2HH1 -0.0172 -0.0159 0.0333 2569 ARG 324 NH2 -0.0107 -0.0239 0.0279 2570 ARG 324 1HH2 -0.0080 -0.0267 0.0256 2571 ARG 324 2HH2 -0.0134 -0.0255 0.0303 2572 ARG 324 C 0.0048 0.0039 0.0137 2573 ARG 324 O 0.0044 0.0048 0.0141 2574 LEU 325 N 0.0135 0.0331 0.0032 2575 LEU 325 H 0.0112 0.0270 0.0076 2576 LEU 325 CA 0.0114 0.0239 0.0001 2577 LEU 325 CB 0.0131 0.0198 -0.0185 2578 LEU 325 CG 0.0114 0.0104 -0.0245 2579 LEU 325 CD1 0.0134 0.0196 -0.0211 2580 LEU 325 CD2 0.0132 0.0071 -0.0429 2581 LEU 325 C 0.0058 0.0090 0.0099 2582 LEU 325 O 0.0033 -0.0005 0.0084 2583 LYS 326 N 0.0036 0.0073 0.0208 2584 LYS 326 H 0.0056 0.0152 0.0222 2585 LYS 326 CA -0.0018 -0.0065 0.0309 2586 LYS 326 CB -0.0032 -0.0019 0.0488 2587 LYS 326 CG -0.0089 -0.0161 0.0603 2588 LYS 326 CD -0.0103 -0.0116 0.0780 2589 LYS 326 CE -0.0161 -0.0262 0.0888 2590 LYS 326 NZ -0.0173 -0.0212 0.1061 2591 LYS 326 HZ1 -0.0143 -0.0101 0.1066 2592 LYS 326 HZ2 -0.0205 -0.0297 0.1114 2593 LYS 326 HZ3 -0.0180 -0.0203 0.1126 2594 LYS 326 C -0.0044 -0.0197 0.0239 2595 LYS 326 O -0.0081 -0.0336 0.0226 2596 THR 327 N -0.0133 -0.0046 -0.0152 2597 THR 327 H -0.0037 -0.0033 -0.0163 2598 THR 327 CA -0.0203 -0.0126 -0.0281 2599 THR 327 CB -0.0133 -0.0173 -0.0398 2600 THR 327 CG2 -0.0206 -0.0261 -0.0540 2601 THR 327 OG1 -0.0163 -0.0158 -0.0357 2602 THR 327 HG1 -0.0275 -0.0175 -0.0348 2603 THR 327 C -0.0194 -0.0149 -0.0329 2604 THR 327 O -0.0316 -0.0189 -0.0361 2605 GLU 328 N -0.0055 -0.0124 -0.0332 2606 GLU 328 H 0.0044 -0.0091 -0.0304 2607 GLU 328 CA -0.0048 -0.0150 -0.0384 2608 GLU 328 CB 0.0111 -0.0160 -0.0463 2609 GLU 328 CG 0.0117 -0.0195 -0.0533 2610 GLU 328 CD 0.0277 -0.0205 -0.0612 2611 GLU 328 OE1 0.0388 -0.0183 -0.0611 2612 GLU 328 OE2 0.0289 -0.0236 -0.0676 2613 GLU 328 C -0.0110 -0.0107 -0.0279 2614 GLU 328 O -0.0055 -0.0037 -0.0165 2615 ALA 329 N -0.0060 0.0008 -0.0246 2616 ALA 329 H -0.0063 0.0007 -0.0259 2617 ALA 329 CA -0.0077 -0.0001 -0.0237 2618 ALA 329 CB -0.0098 -0.0010 -0.0244 2619 ALA 329 C -0.0079 -0.0002 -0.0246 2620 ALA 329 O -0.0085 -0.0006 -0.0232 2621 GLN 330 N -0.0074 0.0003 -0.0268 2622 GLN 330 H -0.0069 0.0006 -0.0278 2623 GLN 330 CA -0.0075 0.0003 -0.0278 2624 GLN 330 CB -0.0069 0.0008 -0.0303 2625 GLN 330 CG -0.0084 0.0002 -0.0319 2626 GLN 330 CD -0.0076 0.0008 -0.0344 2627 GLN 330 OE1 -0.0059 0.0016 -0.0351 2628 GLN 330 NE2 -0.0088 0.0003 -0.0358 2629 GLN 330 1HE2 -0.0085 0.0006 -0.0374 2630 GLN 330 2HE2 -0.0101 -0.0004 -0.0351 2631 GLN 330 C -0.0062 0.0008 -0.0266 2632 GLN 330 O -0.0069 0.0004 -0.0260 2633 MET 331 N 0.0049 -0.0010 -0.0351 2634 MET 331 H 0.0065 -0.0010 -0.0388 2635 MET 331 CA 0.0130 0.0017 -0.0281 2636 MET 331 CB 0.0241 0.0042 -0.0290 2637 MET 331 CG 0.0307 0.0046 -0.0395 2638 MET 331 SD 0.0436 0.0075 -0.0404 2639 MET 331 CE 0.0498 0.0102 -0.0291 2640 MET 331 C 0.0095 0.0022 -0.0163 2641 MET 331 O 0.0113 0.0032 -0.0105 2642 SER 332 N 0.0031 0.0011 -0.0129 2643 SER 332 H 0.0013 0.0001 -0.0180 2644 SER 332 CA -0.0008 0.0014 -0.0017 2645 SER 332 CB -0.0068 0.0002 0.0004 2646 SER 332 OG 0.0007 0.0018 -0.0009 2647 SER 332 HG -0.0036 0.0008 -0.0008 2648 SER 332 C -0.0084 -0.0000 0.0015 2649 SER 332 O -0.0075 0.0012 0.0106 2650 ILE 333 N -0.0033 0.0036 -0.0062 2651 ILE 333 H -0.0030 0.0055 -0.0085 2652 ILE 333 CA -0.0075 0.0027 -0.0050 2653 ILE 333 CB -0.0107 0.0047 -0.0074 2654 ILE 333 CG2 -0.0151 0.0038 -0.0062 2655 ILE 333 CG1 -0.0102 0.0053 -0.0082 2656 ILE 333 CD1 -0.0128 0.0076 -0.0110 2657 ILE 333 C -0.0083 0.0018 -0.0039 2658 ILE 333 O -0.0101 -0.0002 -0.0013 2659 GLN 334 N -0.0070 0.0033 -0.0057 2660 GLN 334 H -0.0055 0.0049 -0.0077 2661 GLN 334 CA -0.0077 0.0025 -0.0047 2662 GLN 334 CB -0.0064 0.0046 -0.0073 2663 GLN 334 CG -0.0091 0.0070 -0.0103 2664 GLN 334 CD -0.0134 0.0064 -0.0095 2665 GLN 334 OE1 -0.0142 0.0051 -0.0078 2666 GLN 334 NE2 -0.0164 0.0073 -0.0105 2667 GLN 334 1HE2 -0.0193 0.0069 -0.0100 2668 GLN 334 2HE2 -0.0157 0.0083 -0.0118 2669 GLN 334 C -0.0056 0.0001 -0.0017 2670 GLN 334 O -0.0074 -0.0015 0.0003 2671 LEU 335 N -0.0034 0.0004 0.0070 2672 LEU 335 H -0.0022 0.0016 0.0060 2673 LEU 335 CA -0.0015 -0.0013 0.0092 2674 LEU 335 CB 0.0022 -0.0010 0.0095 2675 LEU 335 CG 0.0044 0.0011 0.0078 2676 LEU 335 CD1 0.0078 0.0014 0.0080 2677 LEU 335 CD2 0.0048 0.0008 0.0081 2678 LEU 335 C -0.0030 -0.0037 0.0115 2679 LEU 335 O -0.0033 -0.0053 0.0131 2680 ILE 336 N -0.0040 -0.0039 0.0115 2681 ILE 336 H -0.0038 -0.0026 0.0101 2682 ILE 336 CA -0.0054 -0.0061 0.0136 2683 ILE 336 CB -0.0058 -0.0066 0.0141 2684 ILE 336 CG2 -0.0023 -0.0062 0.0143 2685 ILE 336 CG1 -0.0084 -0.0053 0.0122 2686 ILE 336 CD1 -0.0092 -0.0063 0.0131 2687 ILE 336 C -0.0087 -0.0068 0.0138 2688 ILE 336 O -0.0093 -0.0088 0.0158 2689 ASN 337 N -0.0054 -0.0074 0.0082 2690 ASN 337 H -0.0038 -0.0024 0.0079 2691 ASN 337 CA -0.0126 -0.0103 0.0046 2692 ASN 337 CB -0.0167 -0.0050 0.0008 2693 ASN 337 CG -0.0147 -0.0055 0.0021 2694 ASN 337 OD1 -0.0115 -0.0105 0.0053 2695 ASN 337 ND2 -0.0170 -0.0001 -0.0006 2696 ASN 337 1HD2 -0.0163 -0.0005 -0.0001 2697 ASN 337 2HD2 -0.0196 0.0040 -0.0032 2698 ASN 337 C -0.0162 -0.0117 0.0028 2699 ASN 337 O -0.0205 -0.0174 0.0016 2700 LYS 338 N -0.0143 -0.0065 0.0026 2701 LYS 338 H -0.0109 -0.0018 0.0035 2702 LYS 338 CA -0.0171 -0.0073 0.0011 2703 LYS 338 CB -0.0153 0.0002 0.0003 2704 LYS 338 CG -0.0191 0.0069 -0.0036 2705 LYS 338 CD -0.0174 0.0146 -0.0045 2706 LYS 338 CE -0.0202 0.0144 -0.0061 2707 LYS 338 NZ -0.0278 0.0139 -0.0106 2708 LYS 338 HZ1 -0.0299 0.0082 -0.0104 2709 LYS 338 HZ2 -0.0293 0.0174 -0.0123 2710 LYS 338 HZ3 -0.0296 0.0157 -0.0121 2711 LYS 338 C -0.0144 -0.0139 0.0044 2712 LYS 338 O -0.0184 -0.0180 0.0030 2713 ALA 339 N -0.0086 -0.0111 0.0139 2714 ALA 339 H -0.0091 -0.0116 0.0138 2715 ALA 339 CA -0.0091 -0.0102 0.0139 2716 ALA 339 CB -0.0100 -0.0104 0.0138 2717 ALA 339 C -0.0093 -0.0095 0.0139 2718 ALA 339 O -0.0096 -0.0087 0.0140 2719 VAL 340 N -0.0092 -0.0097 0.0139 2720 VAL 340 H -0.0090 -0.0104 0.0139 2721 VAL 340 CA -0.0094 -0.0091 0.0140 2722 VAL 340 CB -0.0092 -0.0095 0.0140 2723 VAL 340 CG1 -0.0092 -0.0088 0.0140 2724 VAL 340 CG2 -0.0098 -0.0103 0.0138 2725 VAL 340 C -0.0090 -0.0081 0.0141 2726 VAL 340 O -0.0095 -0.0074 0.0141 2727 ASN 341 N -0.0095 -0.0114 0.0072 2728 ASN 341 H -0.0085 -0.0111 0.0046 2729 ASN 341 CA -0.0087 -0.0100 0.0060 2730 ASN 341 CB -0.0064 -0.0082 0.0008 2731 ASN 341 CG -0.0063 -0.0125 -0.0032 2732 ASN 341 OD1 -0.0078 -0.0169 -0.0025 2733 ASN 341 ND2 -0.0043 -0.0111 -0.0078 2734 ASN 341 1HD2 -0.0041 -0.0136 -0.0107 2735 ASN 341 2HD2 -0.0031 -0.0074 -0.0083 2736 ASN 341 C -0.0088 -0.0060 0.0095 2737 ASN 341 O -0.0091 -0.0059 0.0106 2738 ALA 342 N -0.0084 -0.0024 0.0114 2739 ALA 342 H -0.0082 -0.0026 0.0105 2740 ALA 342 CA -0.0084 0.0017 0.0148 2741 ALA 342 CB -0.0073 0.0058 0.0148 2742 ALA 342 C -0.0106 0.0002 0.0199 2743 ALA 342 O -0.0110 0.0022 0.0227 2744 LEU 343 N -0.0111 -0.0002 0.0155 2745 LEU 343 H -0.0111 0.0000 0.0166 2746 LEU 343 CA -0.0102 0.0000 0.0146 2747 LEU 343 CB -0.0096 0.0006 0.0157 2748 LEU 343 CG -0.0108 0.0001 0.0164 2749 LEU 343 CD1 -0.0102 0.0007 0.0176 2750 LEU 343 CD2 -0.0114 -0.0005 0.0152 2751 LEU 343 C -0.0089 0.0005 0.0137 2752 LEU 343 O -0.0086 0.0003 0.0124 2753 ILE 344 N -0.0081 0.0011 0.0145 2754 ILE 344 H -0.0083 0.0012 0.0155 2755 ILE 344 CA -0.0068 0.0016 0.0137 2756 ILE 344 CB -0.0055 0.0024 0.0144 2757 ILE 344 CG2 -0.0041 0.0029 0.0136 2758 ILE 344 CG1 -0.0054 0.0024 0.0141 2759 ILE 344 CD1 -0.0042 0.0032 0.0149 2760 ILE 344 C -0.0068 0.0016 0.0139 2761 ILE 344 O -0.0073 0.0016 0.0151 2762 ASN 345 N -0.0077 0.0029 0.0066 2763 ASN 345 H -0.0088 0.0033 0.0078 2764 ASN 345 CA -0.0058 0.0032 0.0045 2765 ASN 345 CB -0.0060 0.0052 0.0041 2766 ASN 345 CG -0.0039 0.0056 0.0018 2767 ASN 345 OD1 -0.0023 0.0051 0.0002 2768 ASN 345 ND2 -0.0040 0.0067 0.0016 2769 ASN 345 1HD2 -0.0028 0.0071 0.0001 2770 ASN 345 2HD2 -0.0053 0.0072 0.0029 2771 ASN 345 C -0.0046 0.0002 0.0040 2772 ASN 345 O -0.0053 -0.0013 0.0052 2773 ASP 346 N -0.0028 -0.0005 0.0022 2774 ASP 346 H -0.0023 0.0009 0.0013 2775 ASP 346 CA -0.0015 -0.0032 0.0015 2776 ASP 346 CB 0.0003 -0.0037 -0.0003 2777 ASP 346 CG -0.0003 -0.0043 0.0005 2778 ASP 346 OD1 -0.0020 -0.0049 0.0025 2779 ASP 346 OD2 0.0010 -0.0041 -0.0009 2780 ASP 346 C -0.0007 -0.0036 0.0007 2781 ASP 346 O -0.0004 -0.0060 0.0011 2782 GLN 347 N 0.0010 0.0056 -0.0023 2783 GLN 347 H -0.0009 0.0080 -0.0030 2784 GLN 347 CA 0.0032 0.0048 -0.0051 2785 GLN 347 CB 0.0021 0.0080 -0.0085 2786 GLN 347 CG 0.0042 0.0076 -0.0119 2787 GLN 347 CD 0.0073 0.0058 -0.0144 2788 GLN 347 OE1 0.0073 0.0064 -0.0156 2789 GLN 347 NE2 0.0100 0.0034 -0.0154 2790 GLN 347 1HE2 0.0121 0.0022 -0.0170 2791 GLN 347 2HE2 0.0099 0.0030 -0.0144 2792 GLN 347 C 0.0035 0.0032 -0.0028 2793 GLN 347 O 0.0061 0.0007 -0.0035 2794 LEU 348 N 0.0008 0.0044 -0.0000 2795 LEU 348 H -0.0013 0.0063 0.0007 2796 LEU 348 CA 0.0008 0.0031 0.0023 2797 LEU 348 CB -0.0025 0.0052 0.0048 2798 LEU 348 CG -0.0044 0.0086 0.0024 2799 LEU 348 CD1 -0.0077 0.0105 0.0052 2800 LEU 348 CD2 -0.0025 0.0081 -0.0003 2801 LEU 348 C 0.0023 -0.0003 0.0053 2802 LEU 348 O 0.0042 -0.0025 0.0057 2803 ILE 349 N -0.0012 0.0025 0.0026 2804 ILE 349 H -0.0015 0.0037 0.0022 2805 ILE 349 CA -0.0008 0.0004 0.0037 2806 ILE 349 CB -0.0010 0.0005 0.0041 2807 ILE 349 CG2 -0.0004 -0.0018 0.0049 2808 ILE 349 CG1 -0.0025 0.0020 0.0055 2809 ILE 349 CD1 -0.0028 0.0025 0.0056 2810 ILE 349 C 0.0007 -0.0012 0.0024 2811 ILE 349 O 0.0010 -0.0029 0.0033 2812 MET 350 N 0.0015 -0.0007 0.0003 2813 MET 350 H 0.0012 0.0007 -0.0003 2814 MET 350 CA 0.0030 -0.0022 -0.0010 2815 MET 350 CB 0.0039 -0.0016 -0.0032 2816 MET 350 CG 0.0039 -0.0020 -0.0030 2817 MET 350 SD 0.0045 -0.0048 -0.0017 2818 MET 350 CE 0.0062 -0.0062 -0.0035 2819 MET 350 C 0.0033 -0.0027 -0.0013 2820 MET 350 O 0.0042 -0.0046 -0.0012 2821 LYS 351 N 0.0055 0.0009 0.0004 2822 LYS 351 H 0.0053 0.0024 0.0005 2823 LYS 351 CA 0.0054 0.0003 0.0008 2824 LYS 351 CB 0.0050 0.0022 0.0013 2825 LYS 351 CG 0.0056 0.0038 -0.0005 2826 LYS 351 CD 0.0051 0.0057 0.0002 2827 LYS 351 CE 0.0057 0.0074 -0.0015 2828 LYS 351 NZ 0.0051 0.0091 -0.0006 2829 LYS 351 HZ1 0.0054 0.0105 -0.0016 2830 LYS 351 HZ2 0.0044 0.0096 0.0007 2831 LYS 351 HZ3 0.0051 0.0085 -0.0004 2832 LYS 351 C 0.0047 -0.0013 0.0026 2833 LYS 351 O 0.0049 -0.0030 0.0026 2834 ASN 352 N 0.0040 -0.0008 0.0042 2835 ASN 352 H 0.0038 0.0005 0.0042 2836 ASN 352 CA 0.0032 -0.0021 0.0061 2837 ASN 352 CB 0.0024 -0.0010 0.0077 2838 ASN 352 CG 0.0018 0.0010 0.0085 2839 ASN 352 OD1 0.0018 0.0010 0.0085 2840 ASN 352 ND2 0.0014 0.0027 0.0091 2841 ASN 352 1HD2 0.0011 0.0041 0.0094 2842 ASN 352 2HD2 0.0014 0.0027 0.0091 2843 ASN 352 C 0.0036 -0.0043 0.0058 2844 ASN 352 O 0.0034 -0.0060 0.0065 2845 HIS 353 N 0.0031 -0.0016 0.0035 2846 HIS 353 H 0.0029 0.0002 0.0027 2847 HIS 353 CA 0.0032 -0.0031 0.0029 2848 HIS 353 CB 0.0031 -0.0015 0.0014 2849 HIS 353 CG 0.0032 -0.0030 0.0009 2850 HIS 353 ND1 0.0033 -0.0038 0.0029 2851 HIS 353 CE1 0.0034 -0.0050 0.0017 2852 HIS 353 NE2 0.0034 -0.0050 -0.0009 2853 HIS 353 CD2 0.0033 -0.0037 -0.0014 2854 HIS 353 C 0.0035 -0.0055 0.0013 2855 HIS 353 O 0.0037 -0.0076 0.0018 2856 LEU 354 N 0.0034 -0.0052 -0.0006 2857 LEU 354 H 0.0033 -0.0035 -0.0009 2858 LEU 354 CA 0.0036 -0.0074 -0.0022 2859 LEU 354 CB 0.0036 -0.0066 -0.0046 2860 LEU 354 CG 0.0034 -0.0052 -0.0068 2861 LEU 354 CD1 0.0033 -0.0041 -0.0089 2862 LEU 354 CD2 0.0036 -0.0069 -0.0080 2863 LEU 354 C 0.0038 -0.0093 -0.0004 2864 LEU 354 O 0.0041 -0.0116 -0.0008 2865 ARG 355 N 0.0023 -0.0061 0.0037 2866 ARG 355 H 0.0029 -0.0043 0.0040 2867 ARG 355 CA 0.0017 -0.0076 0.0060 2868 ARG 355 CB 0.0021 -0.0060 0.0083 2869 ARG 355 CG 0.0025 -0.0049 0.0078 2870 ARG 355 CD 0.0030 -0.0031 0.0100 2871 ARG 355 NE 0.0034 -0.0020 0.0090 2872 ARG 355 HE 0.0033 -0.0027 0.0073 2873 ARG 355 CZ 0.0040 -0.0001 0.0103 2874 ARG 355 NH1 0.0042 0.0008 0.0126 2875 ARG 355 1HH1 0.0039 0.0000 0.0135 2876 ARG 355 2HH1 0.0046 0.0022 0.0135 2877 ARG 355 NH2 0.0044 0.0009 0.0092 2878 ARG 355 1HH2 0.0042 0.0002 0.0075 2879 ARG 355 2HH2 0.0048 0.0023 0.0101 2880 ARG 355 C 0.0011 -0.0091 0.0068 2881 ARG 355 O 0.0004 -0.0112 0.0076 2882 ASP 356 N 0.0015 -0.0080 0.0066 2883 ASP 356 H 0.0021 -0.0063 0.0060 2884 ASP 356 CA 0.0011 -0.0092 0.0073 2885 ASP 356 CB 0.0016 -0.0078 0.0064 2886 ASP 356 CG 0.0023 -0.0054 0.0076 2887 ASP 356 OD1 0.0028 -0.0041 0.0065 2888 ASP 356 OD2 0.0025 -0.0046 0.0096 2889 ASP 356 C 0.0004 -0.0115 0.0057 2890 ASP 356 O -0.0004 -0.0134 0.0068 2891 ILE 357 N 0.0046 -0.0142 0.0025 2892 ILE 357 H 0.0032 -0.0120 0.0011 2893 ILE 357 CA 0.0053 -0.0166 0.0008 2894 ILE 357 CB 0.0037 -0.0151 -0.0026 2895 ILE 357 CG2 0.0045 -0.0178 -0.0045 2896 ILE 357 CG1 0.0024 -0.0116 -0.0011 2897 ILE 357 CD1 0.0006 -0.0095 -0.0044 2898 ILE 357 C 0.0067 -0.0202 -0.0006 2899 ILE 357 O 0.0082 -0.0230 0.0001 2900 MET 358 N 0.0062 -0.0202 -0.0024 2901 MET 358 H 0.0050 -0.0178 -0.0029 2902 MET 358 CA 0.0073 -0.0233 -0.0040 2903 MET 358 CB 0.0063 -0.0225 -0.0063 2904 MET 358 CG 0.0046 -0.0209 -0.0102 2905 MET 358 SD 0.0050 -0.0238 -0.0139 2906 MET 358 CE 0.0064 -0.0273 -0.0148 2907 MET 358 C 0.0092 -0.0258 -0.0011 2908 MET 358 O 0.0104 -0.0290 -0.0022 2909 GLY 359 N -0.0033 -0.0151 0.0054 2910 GLY 359 H -0.0015 -0.0147 0.0045 2911 GLY 359 CA -0.0068 -0.0159 0.0073 2912 GLY 359 C -0.0070 -0.0135 0.0111 2913 GLY 359 O -0.0098 -0.0138 0.0132 2914 ILE 360 N -0.0039 -0.0112 0.0120 2915 ILE 360 H -0.0016 -0.0110 0.0101 2916 ILE 360 CA -0.0035 -0.0087 0.0153 2917 ILE 360 CB -0.0007 -0.0069 0.0156 2918 ILE 360 CG2 0.0005 -0.0040 0.0189 2919 ILE 360 CG1 -0.0021 -0.0080 0.0151 2920 ILE 360 CD1 0.0007 -0.0067 0.0146 2921 ILE 360 C -0.0023 -0.0077 0.0159 2922 ILE 360 O -0.0005 -0.0082 0.0134 2923 PRO 361 N -0.0069 -0.0046 0.0225 2924 PRO 361 CA -0.0052 -0.0046 0.0221 2925 PRO 361 CB -0.0056 -0.0043 0.0243 2926 PRO 361 CG -0.0083 -0.0044 0.0251 2927 PRO 361 CD -0.0088 -0.0045 0.0244 2928 PRO 361 C -0.0025 -0.0044 0.0217 2929 PRO 361 O -0.0015 -0.0042 0.0230 2930 TYR 362 N -0.0014 -0.0046 0.0197 2931 TYR 362 H -0.0024 -0.0047 0.0189 2932 TYR 362 CA 0.0008 -0.0046 0.0184 2933 TYR 362 CB 0.0003 -0.0049 0.0159 2934 TYR 362 CG -0.0016 -0.0052 0.0144 2935 TYR 362 CD1 -0.0041 -0.0054 0.0147 2936 TYR 362 CE1 -0.0059 -0.0056 0.0134 2937 TYR 362 CZ -0.0052 -0.0058 0.0117 2938 TYR 362 OH -0.0070 -0.0061 0.0104 2939 TYR 362 HH -0.0086 -0.0061 0.0111 2940 TYR 362 CE2 -0.0026 -0.0057 0.0114 2941 TYR 362 CD2 -0.0008 -0.0054 0.0127 2942 TYR 362 C 0.0025 -0.0045 0.0179 2943 TYR 362 O 0.0016 -0.0046 0.0178 2944 CYS 363 N 0.0009 -0.0017 0.0128 2945 CYS 363 H 0.0008 -0.0017 0.0131 2946 CYS 363 CA 0.0021 -0.0017 0.0124 2947 CYS 363 CB 0.0030 -0.0022 0.0130 2948 CYS 363 SG 0.0044 -0.0022 0.0124 2949 CYS 363 C 0.0022 -0.0013 0.0113 2950 CYS 363 O 0.0020 -0.0011 0.0109 2951 ASN 364 N 0.0026 -0.0011 0.0106 2952 ASN 364 H 0.0027 -0.0013 0.0109 2953 ASN 364 CA 0.0028 -0.0007 0.0095 2954 ASN 364 CB 0.0025 -0.0003 0.0088 2955 ASN 364 CG 0.0013 -0.0000 0.0087 2956 ASN 364 OD1 0.0007 0.0001 0.0087 2957 ASN 364 ND2 0.0009 0.0001 0.0085 2958 ASN 364 1HD2 0.0001 0.0004 0.0083 2959 ASN 364 2HD2 0.0014 0.0000 0.0084 2960 ASN 364 C 0.0041 -0.0008 0.0092 2961 ASN 364 O 0.0044 -0.0005 0.0083 2962 TYR 365 N 0.0022 0.0011 0.0063 2963 TYR 365 H 0.0020 0.0009 0.0065 2964 TYR 365 CA 0.0025 0.0000 0.0060 2965 TYR 365 CB 0.0023 -0.0002 0.0065 2966 TYR 365 CG 0.0016 -0.0004 0.0077 2967 TYR 365 CD1 0.0011 0.0006 0.0083 2968 TYR 365 CE1 0.0005 0.0004 0.0094 2969 TYR 365 CZ 0.0004 -0.0008 0.0098 2970 TYR 365 OH -0.0002 -0.0009 0.0109 2971 TYR 365 HH -0.0005 -0.0002 0.0112 2972 TYR 365 CE2 0.0010 -0.0017 0.0092 2973 TYR 365 CD2 0.0016 -0.0015 0.0081 2974 TYR 365 C 0.0032 -0.0000 0.0048 2975 TYR 365 O 0.0036 -0.0009 0.0045 2976 SER 366 N 0.0035 0.0008 0.0042 2977 SER 366 H 0.0032 0.0014 0.0044 2978 SER 366 CA 0.0041 0.0007 0.0030 2979 SER 366 CB 0.0042 0.0020 0.0024 2980 SER 366 OG 0.0039 0.0026 0.0027 2981 SER 366 HG 0.0040 0.0034 0.0025 2982 SER 366 C 0.0045 0.0001 0.0025 2983 SER 366 O 0.0050 -0.0007 0.0020 2984 LYS 367 N 0.0062 -0.0024 0.0015 2985 LYS 367 H 0.0060 -0.0019 0.0018 2986 LYS 367 CA 0.0068 -0.0033 0.0007 2987 LYS 367 CB 0.0077 -0.0029 0.0001 2988 LYS 367 CG 0.0087 -0.0020 -0.0003 2989 LYS 367 CD 0.0097 -0.0017 -0.0008 2990 LYS 367 CE 0.0106 -0.0008 -0.0012 2991 LYS 367 NZ 0.0115 -0.0005 -0.0017 2992 LYS 367 HZ1 0.0122 -0.0001 -0.0021 2993 LYS 367 HZ2 0.0113 0.0002 -0.0013 2994 LYS 367 HZ3 0.0115 -0.0013 -0.0021 2995 LYS 367 C 0.0061 -0.0045 0.0007 2996 LYS 367 O 0.0054 -0.0044 0.0012 2997 TYR 368 N 0.0063 -0.0055 0.0001 2998 TYR 368 H 0.0068 -0.0055 -0.0003 2999 TYR 368 CA 0.0057 -0.0067 -0.0000 3000 TYR 368 CB 0.0050 -0.0074 0.0002 3001 TYR 368 CG 0.0041 -0.0068 0.0011 3002 TYR 368 CD1 0.0043 -0.0059 0.0014 3003 TYR 368 CE1 0.0035 -0.0053 0.0023 3004 TYR 368 CZ 0.0025 -0.0056 0.0029 3005 TYR 368 OH 0.0017 -0.0049 0.0038 3006 TYR 368 HH 0.0019 -0.0043 0.0038 3007 TYR 368 CE2 0.0024 -0.0065 0.0026 3008 TYR 368 CD2 0.0032 -0.0071 0.0017 3009 TYR 368 C 0.0065 -0.0075 -0.0010 3010 TYR 368 O 0.0073 -0.0074 -0.0015 3011 TRP 369 N 0.0055 -0.0092 -0.0080 3012 TRP 369 H 0.0055 -0.0093 -0.0086 3013 TRP 369 CA 0.0055 -0.0092 -0.0079 3014 TRP 369 CB 0.0060 -0.0099 -0.0081 3015 TRP 369 CG 0.0064 -0.0105 -0.0074 3016 TRP 369 CD1 0.0065 -0.0106 -0.0070 3017 TRP 369 NE1 0.0069 -0.0112 -0.0065 3018 TRP 369 HE1 0.0071 -0.0114 -0.0061 3019 TRP 369 CE2 0.0071 -0.0114 -0.0066 3020 TRP 369 CZ2 0.0074 -0.0119 -0.0063 3021 TRP 369 CH2 0.0075 -0.0120 -0.0066 3022 TRP 369 CZ3 0.0072 -0.0116 -0.0072 3023 TRP 369 CE3 0.0068 -0.0111 -0.0075 3024 TRP 369 CD2 0.0067 -0.0110 -0.0072 3025 TRP 369 C 0.0051 -0.0087 -0.0084 3026 TRP 369 O 0.0050 -0.0085 -0.0091 3027 TYR 370 N 0.0049 -0.0083 -0.0080 3028 TYR 370 H 0.0050 -0.0084 -0.0074 3029 TYR 370 CA 0.0045 -0.0078 -0.0084 3030 TYR 370 CB 0.0040 -0.0070 -0.0082 3031 TYR 370 CG 0.0039 -0.0068 -0.0073 3032 TYR 370 CD1 0.0036 -0.0064 -0.0069 3033 TYR 370 CE1 0.0035 -0.0062 -0.0061 3034 TYR 370 CZ 0.0037 -0.0064 -0.0056 3035 TYR 370 OH 0.0036 -0.0062 -0.0048 3036 TYR 370 HH 0.0035 -0.0060 -0.0046 3037 TYR 370 CE2 0.0040 -0.0068 -0.0060 3038 TYR 370 CD2 0.0041 -0.0070 -0.0069 3039 TYR 370 C 0.0045 -0.0078 -0.0082 3040 TYR 370 O 0.0048 -0.0081 -0.0076 3041 LEU 371 N 0.0051 -0.0047 -0.0111 3042 LEU 371 H 0.0054 -0.0045 -0.0114 3043 LEU 371 CA 0.0052 -0.0046 -0.0102 3044 LEU 371 CB 0.0052 -0.0046 -0.0097 3045 LEU 371 CG 0.0045 -0.0051 -0.0097 3046 LEU 371 CD1 0.0045 -0.0051 -0.0092 3047 LEU 371 CD2 0.0039 -0.0056 -0.0092 3048 LEU 371 C 0.0059 -0.0040 -0.0100 3049 LEU 371 O 0.0064 -0.0037 -0.0104 3050 ASN 372 N 0.0060 -0.0040 -0.0094 3051 ASN 372 H 0.0056 -0.0043 -0.0091 3052 ASN 372 CA 0.0066 -0.0035 -0.0091 3053 ASN 372 CB 0.0066 -0.0035 -0.0090 3054 ASN 372 CG 0.0065 -0.0036 -0.0099 3055 ASN 372 OD1 0.0069 -0.0033 -0.0105 3056 ASN 372 ND2 0.0059 -0.0041 -0.0099 3057 ASN 372 1HD2 0.0058 -0.0042 -0.0104 3058 ASN 372 2HD2 0.0056 -0.0043 -0.0094 3059 ASN 372 C 0.0067 -0.0035 -0.0081 3060 ASN 372 O 0.0062 -0.0038 -0.0076 3061 HIS 373 N 0.0061 0.0036 -0.0110 3062 HIS 373 H 0.0055 0.0052 -0.0118 3063 HIS 373 CA 0.0057 0.0045 -0.0110 3064 HIS 373 CB 0.0046 0.0072 -0.0132 3065 HIS 373 CG 0.0044 0.0077 -0.0137 3066 HIS 373 ND1 0.0036 0.0090 -0.0114 3067 HIS 373 CE1 0.0036 0.0092 -0.0127 3068 HIS 373 NE2 0.0044 0.0081 -0.0157 3069 HIS 373 CD2 0.0048 0.0072 -0.0163 3070 HIS 373 C 0.0052 0.0051 -0.0075 3071 HIS 373 O 0.0042 0.0068 -0.0060 3072 THR 374 N 0.0057 0.0037 -0.0060 3073 THR 374 H 0.0065 0.0023 -0.0072 3074 THR 374 CA 0.0053 0.0040 -0.0026 3075 THR 374 CB 0.0062 0.0018 -0.0016 3076 THR 374 CG2 0.0058 0.0021 0.0021 3077 THR 374 OG1 0.0077 -0.0011 -0.0021 3078 THR 374 HG1 0.0080 -0.0014 -0.0044 3079 THR 374 C 0.0037 0.0071 -0.0018 3080 THR 374 O 0.0030 0.0082 0.0007 3081 ILE 375 N 0.0012 0.0111 -0.0019 3082 ILE 375 H 0.0027 0.0105 -0.0050 3083 ILE 375 CA -0.0016 0.0158 -0.0010 3084 ILE 375 CB -0.0018 0.0181 -0.0040 3085 ILE 375 CG2 -0.0048 0.0233 -0.0036 3086 ILE 375 CG1 -0.0012 0.0157 -0.0022 3087 ILE 375 CD1 -0.0007 0.0171 -0.0054 3088 ILE 375 C -0.0028 0.0186 -0.0020 3089 ILE 375 O -0.0051 0.0207 0.0012 3090 THR 376 N -0.0012 0.0185 -0.0063 3091 THR 376 H 0.0007 0.0167 -0.0088 3092 THR 376 CA -0.0022 0.0213 -0.0075 3093 THR 376 CB -0.0011 0.0230 -0.0130 3094 THR 376 CG2 -0.0021 0.0260 -0.0148 3095 THR 376 OG1 0.0019 0.0192 -0.0156 3096 THR 376 HG1 0.0023 0.0206 -0.0189 3097 THR 376 C -0.0018 0.0193 -0.0057 3098 THR 376 O -0.0035 0.0219 -0.0049 3099 GLY 377 N 0.0041 0.0086 -0.0105 3100 GLY 377 H 0.0035 0.0088 -0.0102 3101 GLY 377 CA 0.0039 0.0089 -0.0115 3102 GLY 377 C 0.0037 0.0090 -0.0113 3103 GLY 377 O 0.0037 0.0092 -0.0121 3104 LYS 378 N 0.0035 0.0088 -0.0103 3105 LYS 378 H 0.0035 0.0086 -0.0097 3106 LYS 378 CA 0.0033 0.0088 -0.0100 3107 LYS 378 CB 0.0034 0.0085 -0.0088 3108 LYS 378 CG 0.0033 0.0084 -0.0085 3109 LYS 378 CD 0.0035 0.0081 -0.0073 3110 LYS 378 CE 0.0034 0.0080 -0.0069 3111 LYS 378 NZ 0.0024 0.0084 -0.0070 3112 LYS 378 HZ1 0.0021 0.0083 -0.0062 3113 LYS 378 HZ2 0.0019 0.0086 -0.0073 3114 LYS 378 HZ3 0.0025 0.0085 -0.0075 3115 LYS 378 C 0.0022 0.0093 -0.0102 3116 LYS 378 O 0.0015 0.0094 -0.0099 3117 THR 379 N 0.0034 0.0034 -0.0082 3118 THR 379 H 0.0032 0.0042 -0.0085 3119 THR 379 CA 0.0034 0.0026 -0.0085 3120 THR 379 CB 0.0035 0.0030 -0.0082 3121 THR 379 CG2 0.0040 0.0032 -0.0070 3122 THR 379 OG1 0.0031 0.0040 -0.0088 3123 THR 379 HG1 0.0030 0.0040 -0.0089 3124 THR 379 C 0.0029 0.0023 -0.0097 3125 THR 379 O 0.0025 0.0029 -0.0104 3126 SER 380 N 0.0029 0.0012 -0.0100 3127 SER 380 H 0.0032 0.0006 -0.0094 3128 SER 380 CA 0.0024 0.0008 -0.0111 3129 SER 380 CB 0.0025 -0.0006 -0.0113 3130 SER 380 OG 0.0028 -0.0011 -0.0108 3131 SER 380 HG 0.0028 -0.0019 -0.0112 3132 SER 380 C 0.0022 0.0013 -0.0115 3133 SER 380 O 0.0024 0.0018 -0.0108 3134 LEU 381 N 0.0019 0.0012 -0.0063 3135 LEU 381 H 0.0021 0.0013 -0.0072 3136 LEU 381 CA 0.0020 0.0011 -0.0058 3137 LEU 381 CB 0.0019 0.0013 -0.0066 3138 LEU 381 CG 0.0018 0.0013 -0.0060 3139 LEU 381 CD1 0.0010 0.0018 -0.0051 3140 LEU 381 CD2 0.0018 0.0015 -0.0070 3141 LEU 381 C 0.0030 0.0002 -0.0054 3142 LEU 381 O 0.0037 -0.0002 -0.0061 3143 PRO 382 N 0.0031 -0.0000 -0.0042 3144 PRO 382 CA 0.0040 -0.0008 -0.0037 3145 PRO 382 CB 0.0037 -0.0008 -0.0024 3146 PRO 382 CG 0.0027 -0.0001 -0.0022 3147 PRO 382 CD 0.0023 0.0004 -0.0033 3148 PRO 382 C 0.0047 -0.0013 -0.0042 3149 PRO 382 O 0.0045 -0.0011 -0.0043 3150 LYS 383 N 0.0059 -0.0071 0.0044 3151 LYS 383 H 0.0061 -0.0069 0.0037 3152 LYS 383 CA 0.0062 -0.0065 0.0051 3153 LYS 383 CB 0.0065 -0.0061 0.0048 3154 LYS 383 CG 0.0060 -0.0068 0.0047 3155 LYS 383 CD 0.0063 -0.0065 0.0045 3156 LYS 383 CE 0.0059 -0.0071 0.0044 3157 LYS 383 NZ 0.0062 -0.0067 0.0042 3158 LYS 383 HZ1 0.0062 -0.0065 0.0049 3159 LYS 383 HZ2 0.0059 -0.0071 0.0039 3160 LYS 383 HZ3 0.0066 -0.0062 0.0038 3161 LYS 383 C 0.0066 -0.0058 0.0053 3162 LYS 383 O 0.0069 -0.0056 0.0046 3163 CYS 384 N 0.0067 -0.0055 0.0062 3164 CYS 384 H 0.0065 -0.0057 0.0067 3165 CYS 384 CA 0.0071 -0.0048 0.0066 3166 CYS 384 CB 0.0071 -0.0046 0.0077 3167 CYS 384 SG 0.0064 -0.0055 0.0084 3168 CYS 384 C 0.0077 -0.0041 0.0061 3169 CYS 384 O 0.0079 -0.0038 0.0060 3170 TRP 385 N 0.0040 -0.0128 0.0111 3171 TRP 385 H 0.0046 -0.0130 0.0099 3172 TRP 385 CA 0.0034 -0.0108 0.0103 3173 TRP 385 CB 0.0045 -0.0106 0.0076 3174 TRP 385 CG 0.0041 -0.0090 0.0068 3175 TRP 385 CD1 0.0037 -0.0067 0.0054 3176 TRP 385 NE1 0.0036 -0.0059 0.0051 3177 TRP 385 HE1 0.0033 -0.0043 0.0042 3178 TRP 385 CE2 0.0038 -0.0077 0.0064 3179 TRP 385 CZ2 0.0037 -0.0078 0.0067 3180 TRP 385 CH2 0.0040 -0.0099 0.0081 3181 TRP 385 CZ3 0.0044 -0.0119 0.0092 3182 TRP 385 CE3 0.0044 -0.0118 0.0089 3183 TRP 385 CD2 0.0041 -0.0097 0.0075 3184 TRP 385 C 0.0023 -0.0085 0.0108 3185 TRP 385 O 0.0024 -0.0077 0.0096 3186 LEU 386 N 0.0010 -0.0074 0.0127 3187 LEU 386 H 0.0010 -0.0081 0.0135 3188 LEU 386 CA -0.0003 -0.0053 0.0136 3189 LEU 386 CB -0.0015 -0.0049 0.0161 3190 LEU 386 CG -0.0015 -0.0071 0.0183 3191 LEU 386 CD1 -0.0027 -0.0065 0.0206 3192 LEU 386 CD2 -0.0013 -0.0080 0.0190 3193 LEU 386 C -0.0005 -0.0029 0.0118 3194 LEU 386 O -0.0001 -0.0024 0.0104 3195 VAL 387 N -0.0000 -0.0048 0.0198 3196 VAL 387 H 0.0012 -0.0049 0.0190 3197 VAL 387 CA -0.0030 -0.0044 0.0171 3198 VAL 387 CB -0.0018 -0.0045 0.0129 3199 VAL 387 CG1 -0.0049 -0.0041 0.0100 3200 VAL 387 CG2 0.0021 -0.0049 0.0122 3201 VAL 387 C -0.0064 -0.0040 0.0178 3202 VAL 387 O -0.0058 -0.0041 0.0183 3203 SER 388 N -0.0099 -0.0036 0.0179 3204 SER 388 H -0.0104 -0.0036 0.0176 3205 SER 388 CA -0.0133 -0.0032 0.0185 3206 SER 388 CB -0.0165 -0.0029 0.0209 3207 SER 388 OG -0.0151 -0.0031 0.0247 3208 SER 388 HG -0.0173 -0.0029 0.0262 3209 SER 388 C -0.0151 -0.0030 0.0147 3210 SER 388 O -0.0152 -0.0030 0.0139 3211 ASN 389 N -0.0211 0.0014 0.0140 3212 ASN 389 H -0.0195 0.0008 0.0169 3213 ASN 389 CA -0.0251 0.0029 0.0060 3214 ASN 389 CB -0.0340 0.0015 0.0059 3215 ASN 389 CG -0.0403 -0.0006 0.0102 3216 ASN 389 OD1 -0.0428 -0.0003 0.0072 3217 ASN 389 ND2 -0.0428 -0.0030 0.0176 3218 ASN 389 1HD2 -0.0469 -0.0045 0.0208 3219 ASN 389 2HD2 -0.0405 -0.0033 0.0200 3220 ASN 389 C -0.0195 0.0050 0.0012 3221 ASN 389 O -0.0149 0.0071 -0.0040 3222 GLY 390 N -0.0198 0.0045 0.0027 3223 GLY 390 H -0.0236 0.0029 0.0068 3224 GLY 390 CA -0.0146 0.0064 -0.0013 3225 GLY 390 C -0.0087 0.0057 0.0049 3226 GLY 390 O -0.0031 0.0073 0.0024 3227 SER 391 N -0.0103 0.0008 0.0030 3228 SER 391 H -0.0126 0.0003 0.0040 3229 SER 391 CA -0.0076 -0.0007 0.0048 3230 SER 391 CB -0.0084 -0.0015 0.0060 3231 SER 391 OG -0.0115 -0.0025 0.0078 3232 SER 391 HG -0.0108 -0.0039 0.0098 3233 SER 391 C -0.0069 -0.0024 0.0072 3234 SER 391 O -0.0091 -0.0029 0.0082 3235 TYR 392 N -0.0036 -0.0034 0.0081 3236 TYR 392 H -0.0019 -0.0029 0.0072 3237 TYR 392 CA -0.0021 -0.0052 0.0105 3238 TYR 392 CB 0.0019 -0.0055 0.0103 3239 TYR 392 CG 0.0035 -0.0038 0.0078 3240 TYR 392 CD1 0.0040 -0.0020 0.0051 3241 TYR 392 CE1 0.0054 -0.0004 0.0027 3242 TYR 392 CZ 0.0063 -0.0007 0.0030 3243 TYR 392 OH 0.0077 0.0009 0.0005 3244 TYR 392 HH 0.0077 0.0021 -0.0011 3245 TYR 392 CE2 0.0058 -0.0025 0.0057 3246 TYR 392 CD2 0.0044 -0.0041 0.0081 3247 TYR 392 C -0.0036 -0.0070 0.0133 3248 TYR 392 O -0.0045 -0.0071 0.0135 3249 LEU 393 N -0.0032 -0.0055 0.0108 3250 LEU 393 H -0.0026 -0.0077 0.0126 3251 LEU 393 CA -0.0040 -0.0043 0.0127 3252 LEU 393 CB -0.0042 -0.0059 0.0176 3253 LEU 393 CG -0.0057 -0.0038 0.0209 3254 LEU 393 CD1 -0.0057 -0.0059 0.0256 3255 LEU 393 CD2 -0.0077 0.0008 0.0210 3256 LEU 393 C -0.0032 -0.0051 0.0101 3257 LEU 393 O -0.0016 -0.0076 0.0072 3258 ASN 394 N -0.0044 -0.0027 0.0111 3259 ASN 394 H -0.0057 -0.0007 0.0134 3260 ASN 394 CA -0.0040 -0.0029 0.0091 3261 ASN 394 CB -0.0058 0.0009 0.0100 3262 ASN 394 CG -0.0071 0.0048 0.0075 3263 ASN 394 OD1 -0.0065 0.0051 0.0034 3264 ASN 394 ND2 -0.0089 0.0079 0.0101 3265 ASN 394 1HD2 -0.0098 0.0106 0.0088 3266 ASN 394 2HD2 -0.0093 0.0075 0.0134 3267 ASN 394 C -0.0027 -0.0067 0.0111 3268 ASN 394 O -0.0028 -0.0081 0.0149 3269 GLU 395 N -0.0020 -0.0077 0.0047 3270 GLU 395 H -0.0030 -0.0070 0.0025 3271 GLU 395 CA -0.0008 -0.0093 0.0059 3272 GLU 395 CB -0.0012 -0.0096 0.0035 3273 GLU 395 CG -0.0008 -0.0116 0.0002 3274 GLU 395 CD -0.0024 -0.0100 -0.0025 3275 GLU 395 OE1 -0.0021 -0.0116 -0.0052 3276 GLU 395 OE2 -0.0040 -0.0073 -0.0021 3277 GLU 395 C -0.0010 -0.0077 0.0091 3278 GLU 395 O 0.0005 -0.0091 0.0114 3279 THR 396 N -0.0027 -0.0047 0.0094 3280 THR 396 H -0.0038 -0.0037 0.0075 3281 THR 396 CA -0.0033 -0.0028 0.0122 3282 THR 396 CB -0.0054 0.0004 0.0115 3283 THR 396 CG2 -0.0060 0.0026 0.0144 3284 THR 396 OG1 -0.0063 0.0007 0.0086 3285 THR 396 HG1 -0.0077 0.0026 0.0080 3286 THR 396 C -0.0022 -0.0032 0.0154 3287 THR 396 O -0.0017 -0.0029 0.0181 3288 HIS 397 N -0.0000 -0.0029 0.0149 3289 HIS 397 H 0.0003 -0.0021 0.0129 3290 HIS 397 CA -0.0010 -0.0032 0.0186 3291 HIS 397 CB -0.0014 -0.0016 0.0185 3292 HIS 397 CG -0.0026 -0.0014 0.0222 3293 HIS 397 ND1 -0.0023 -0.0043 0.0240 3294 HIS 397 CE1 -0.0036 -0.0030 0.0272 3295 HIS 397 NE2 -0.0047 0.0005 0.0276 3296 HIS 397 CD2 -0.0041 0.0015 0.0245 3297 HIS 397 C -0.0003 -0.0072 0.0202 3298 HIS 397 O -0.0011 -0.0079 0.0236 3299 PHE 398 N 0.0011 -0.0098 0.0179 3300 PHE 398 H 0.0017 -0.0092 0.0152 3301 PHE 398 CA 0.0019 -0.0138 0.0190 3302 PHE 398 CB 0.0028 -0.0156 0.0177 3303 PHE 398 CG 0.0019 -0.0141 0.0196 3304 PHE 398 CD1 0.0016 -0.0115 0.0177 3305 PHE 398 CE1 0.0007 -0.0102 0.0195 3306 PHE 398 CZ 0.0000 -0.0115 0.0232 3307 PHE 398 CE2 0.0002 -0.0141 0.0251 3308 PHE 398 CD2 0.0012 -0.0154 0.0233 3309 PHE 398 C 0.0029 -0.0161 0.0180 3310 PHE 398 O 0.0039 -0.0196 0.0181 3311 SER 399 N 0.0009 -0.0094 0.0129 3312 SER 399 H 0.0030 -0.0077 0.0133 3313 SER 399 CA -0.0033 -0.0054 0.0085 3314 SER 399 CB -0.0031 0.0008 0.0055 3315 SER 399 OG -0.0056 -0.0009 0.0049 3316 SER 399 HG -0.0049 0.0032 0.0033 3317 SER 399 C -0.0016 -0.0033 0.0084 3318 SER 399 O -0.0059 -0.0034 0.0061 3319 ASP 400 N 0.0047 -0.0015 0.0111 3320 ASP 400 H 0.0080 -0.0016 0.0130 3321 ASP 400 CA 0.0071 0.0007 0.0114 3322 ASP 400 CB 0.0144 0.0030 0.0143 3323 ASP 400 CG 0.0167 0.0097 0.0123 3324 ASP 400 OD1 0.0129 0.0132 0.0083 3325 ASP 400 OD2 0.0226 0.0113 0.0148 3326 ASP 400 C 0.0054 -0.0048 0.0132 3327 ASP 400 O 0.0033 -0.0037 0.0114 3328 ASP 401 N 0.0062 -0.0073 0.0104 3329 ASP 401 H 0.0063 -0.0071 0.0105 3330 ASP 401 CA 0.0064 -0.0102 0.0110 3331 ASP 401 CB 0.0070 -0.0124 0.0119 3332 ASP 401 CG 0.0074 -0.0153 0.0128 3333 ASP 401 OD1 0.0090 -0.0155 0.0142 3334 ASP 401 OD2 0.0061 -0.0175 0.0120 3335 ASP 401 C 0.0042 -0.0114 0.0093 3336 ASP 401 O 0.0043 -0.0126 0.0096 3337 ILE 402 N 0.0023 -0.0108 0.0075 3338 ILE 402 H 0.0023 -0.0098 0.0074 3339 ILE 402 CA 0.0001 -0.0119 0.0058 3340 ILE 402 CB -0.0017 -0.0113 0.0041 3341 ILE 402 CG2 -0.0040 -0.0119 0.0021 3342 ILE 402 CG1 -0.0015 -0.0133 0.0046 3343 ILE 402 CD1 -0.0029 -0.0125 0.0033 3344 ILE 402 C -0.0002 -0.0103 0.0052 3345 ILE 402 O -0.0010 -0.0117 0.0048 3346 GLU 403 N -0.0008 -0.0054 0.0045 3347 GLU 403 H 0.0003 -0.0050 0.0048 3348 GLU 403 CA -0.0012 -0.0021 0.0037 3349 GLU 403 CB -0.0001 0.0015 0.0034 3350 GLU 403 CG -0.0026 0.0024 0.0024 3351 GLU 403 CD -0.0011 0.0058 0.0022 3352 GLU 403 OE1 0.0019 0.0073 0.0029 3353 GLU 403 OE2 -0.0032 0.0069 0.0013 3354 GLU 403 C 0.0010 -0.0021 0.0044 3355 GLU 403 O -0.0003 -0.0010 0.0038 3356 GLN 404 N 0.0043 -0.0034 0.0058 3357 GLN 404 H 0.0052 -0.0043 0.0063 3358 GLN 404 CA 0.0067 -0.0037 0.0066 3359 GLN 404 CB 0.0104 -0.0049 0.0081 3360 GLN 404 CG 0.0125 -0.0019 0.0082 3361 GLN 404 CD 0.0160 -0.0034 0.0096 3362 GLN 404 OE1 0.0172 -0.0063 0.0106 3363 GLN 404 NE2 0.0176 -0.0013 0.0097 3364 GLN 404 1HE2 0.0199 -0.0021 0.0106 3365 GLN 404 2HE2 0.0165 0.0010 0.0089 3366 GLN 404 C 0.0051 -0.0064 0.0066 3367 GLN 404 O 0.0053 -0.0057 0.0066 3368 GLN 405 N 0.0039 -0.0047 0.0029 3369 GLN 405 H 0.0037 -0.0048 0.0028 3370 GLN 405 CA 0.0037 -0.0056 0.0028 3371 GLN 405 CB 0.0032 -0.0066 0.0025 3372 GLN 405 CG 0.0038 -0.0073 0.0028 3373 GLN 405 CD 0.0032 -0.0082 0.0025 3374 GLN 405 OE1 0.0024 -0.0086 0.0022 3375 GLN 405 NE2 0.0035 -0.0086 0.0026 3376 GLN 405 1HE2 0.0031 -0.0092 0.0025 3377 GLN 405 2HE2 0.0041 -0.0083 0.0029 3378 GLN 405 C 0.0029 -0.0052 0.0025 3379 GLN 405 O 0.0030 -0.0055 0.0025 3380 ALA 406 N 0.0022 -0.0045 0.0022 3381 ALA 406 H 0.0021 -0.0043 0.0022 3382 ALA 406 CA 0.0014 -0.0040 0.0020 3383 ALA 406 CB 0.0006 -0.0033 0.0017 3384 ALA 406 C 0.0018 -0.0033 0.0022 3385 ALA 406 O 0.0015 -0.0034 0.0020 3386 ASP 407 N 0.0019 -0.0008 0.0035 3387 ASP 407 H 0.0024 -0.0019 0.0032 3388 ASP 407 CA 0.0020 0.0003 0.0023 3389 ASP 407 CB 0.0028 -0.0005 0.0010 3390 ASP 407 CG 0.0028 0.0007 -0.0000 3391 ASP 407 OD1 0.0024 0.0012 0.0005 3392 ASP 407 OD2 0.0032 0.0010 -0.0014 3393 ASP 407 C 0.0018 0.0015 0.0017 3394 ASP 407 O 0.0015 0.0029 0.0014 3395 ASN 408 N 0.0021 0.0010 0.0015 3396 ASN 408 H 0.0024 -0.0002 0.0017 3397 ASN 408 CA 0.0020 0.0019 0.0008 3398 ASN 408 CB 0.0024 0.0010 0.0006 3399 ASN 408 CG 0.0033 0.0000 -0.0007 3400 ASN 408 OD1 0.0036 0.0004 -0.0018 3401 ASN 408 ND2 0.0037 -0.0012 -0.0007 3402 ASN 408 1HD2 0.0043 -0.0019 -0.0015 3403 ASN 408 2HD2 0.0035 -0.0015 0.0001 3404 ASN 408 C 0.0012 0.0031 0.0019 3405 ASN 408 O 0.0009 0.0044 0.0014 3406 MET 409 N 0.0023 0.0035 -0.0017 3407 MET 409 H 0.0016 0.0028 -0.0017 3408 MET 409 CA 0.0027 0.0041 -0.0012 3409 MET 409 CB 0.0020 0.0035 -0.0008 3410 MET 409 CG 0.0019 0.0029 -0.0020 3411 MET 409 SD 0.0030 0.0036 -0.0029 3412 MET 409 CE 0.0030 0.0042 -0.0018 3413 MET 409 C 0.0031 0.0048 -0.0000 3414 MET 409 O 0.0038 0.0057 0.0001 3415 ILE 410 N 0.0025 0.0046 0.0008 3416 ILE 410 H 0.0019 0.0040 0.0007 3417 ILE 410 CA 0.0028 0.0053 0.0020 3418 ILE 410 CB 0.0019 0.0048 0.0028 3419 ILE 410 CG2 0.0023 0.0056 0.0039 3420 ILE 410 CG1 0.0011 0.0041 0.0033 3421 ILE 410 CD1 0.0001 0.0035 0.0040 3422 ILE 410 C 0.0037 0.0061 0.0016 3423 ILE 410 O 0.0043 0.0069 0.0021 3424 THR 411 N 0.0008 0.0102 0.0031 3425 THR 411 H 0.0008 0.0098 0.0030 3426 THR 411 CA 0.0016 0.0106 0.0030 3427 THR 411 CB 0.0021 0.0103 0.0028 3428 THR 411 CG2 0.0029 0.0107 0.0026 3429 THR 411 OG1 0.0019 0.0105 0.0029 3430 THR 411 HG1 0.0014 0.0102 0.0029 3431 THR 411 C 0.0019 0.0104 0.0029 3432 THR 411 O 0.0022 0.0109 0.0029 3433 GLU 412 N 0.0017 0.0097 0.0026 3434 GLU 412 H 0.0014 0.0093 0.0026 3435 GLU 412 CA 0.0019 0.0094 0.0025 3436 GLU 412 CB 0.0018 0.0086 0.0022 3437 GLU 412 CG 0.0023 0.0081 0.0019 3438 GLU 412 CD 0.0021 0.0073 0.0016 3439 GLU 412 OE1 0.0015 0.0070 0.0017 3440 GLU 412 OE2 0.0024 0.0068 0.0014 3441 GLU 412 C 0.0015 0.0098 0.0027 3442 GLU 412 O 0.0019 0.0099 0.0027 3443 MET 413 N 0.0007 0.0097 0.0027 3444 MET 413 H 0.0010 0.0121 0.0023 3445 MET 413 CA -0.0003 0.0081 -0.0001 3446 MET 413 CB -0.0007 0.0099 -0.0033 3447 MET 413 CG -0.0009 0.0101 -0.0039 3448 MET 413 SD -0.0014 0.0121 -0.0077 3449 MET 413 CE -0.0026 0.0089 -0.0102 3450 MET 413 C -0.0005 0.0072 -0.0001 3451 MET 413 O -0.0012 0.0044 -0.0007 3452 LEU 414 N 0.0002 0.0093 0.0011 3453 LEU 414 H 0.0008 0.0115 0.0017 3454 LEU 414 CA 0.0002 0.0088 0.0013 3455 LEU 414 CB 0.0010 0.0118 0.0022 3456 LEU 414 CG 0.0009 0.0146 -0.0003 3457 LEU 414 CD1 0.0018 0.0176 0.0010 3458 LEU 414 CD2 -0.0001 0.0136 -0.0034 3459 LEU 414 C 0.0002 0.0061 0.0037 3460 LEU 414 O -0.0003 0.0041 0.0031 3461 GLN 415 N -0.0041 0.0041 0.0064 3462 GLN 415 H -0.0038 0.0059 0.0067 3463 GLN 415 CA -0.0039 0.0017 0.0089 3464 GLN 415 CB -0.0032 0.0026 0.0120 3465 GLN 415 CG -0.0025 0.0053 0.0137 3466 GLN 415 CD -0.0018 0.0064 0.0167 3467 GLN 415 OE1 -0.0017 0.0052 0.0178 3468 GLN 415 NE2 -0.0012 0.0090 0.0182 3469 GLN 415 1HE2 -0.0007 0.0098 0.0202 3470 GLN 415 2HE2 -0.0012 0.0100 0.0172 3471 GLN 415 C -0.0046 -0.0016 0.0078 3472 GLN 415 O -0.0047 -0.0041 0.0090 3473 LYS 416 N -0.0050 -0.0018 0.0055 3474 LYS 416 H -0.0049 0.0002 0.0045 3475 LYS 416 CA -0.0057 -0.0047 0.0041 3476 LYS 416 CB -0.0060 -0.0041 0.0017 3477 LYS 416 CG -0.0068 -0.0071 0.0001 3478 LYS 416 CD -0.0070 -0.0062 -0.0020 3479 LYS 416 CE -0.0078 -0.0090 -0.0041 3480 LYS 416 NZ -0.0078 -0.0118 -0.0021 3481 LYS 416 HZ1 -0.0073 -0.0109 -0.0001 3482 LYS 416 HZ2 -0.0082 -0.0132 -0.0034 3483 LYS 416 HZ3 -0.0078 -0.0131 -0.0013 3484 LYS 416 C -0.0062 -0.0063 0.0022 3485 LYS 416 O -0.0066 -0.0092 0.0023 3486 GLU 417 N -0.0072 -0.0022 0.0049 3487 GLU 417 H -0.0061 0.0002 0.0049 3488 GLU 417 CA -0.0076 -0.0045 0.0022 3489 GLU 417 CB -0.0060 -0.0027 -0.0008 3490 GLU 417 CG -0.0046 -0.0009 -0.0031 3491 GLU 417 CD -0.0030 0.0011 -0.0058 3492 GLU 417 OE1 -0.0018 0.0025 -0.0080 3493 GLU 417 OE2 -0.0028 0.0014 -0.0058 3494 GLU 417 C -0.0091 -0.0069 0.0037 3495 GLU 417 O -0.0101 -0.0098 0.0023 3496 TYR 418 N -0.0092 -0.0056 0.0066 3497 TYR 418 H -0.0084 -0.0032 0.0076 3498 TYR 418 CA -0.0106 -0.0076 0.0083 3499 TYR 418 CB -0.0104 -0.0055 0.0113 3500 TYR 418 CG -0.0089 -0.0032 0.0099 3501 TYR 418 CD1 -0.0089 -0.0043 0.0076 3502 TYR 418 CE1 -0.0075 -0.0021 0.0063 3503 TYR 418 CZ -0.0062 0.0014 0.0073 3504 TYR 418 OH -0.0048 0.0037 0.0060 3505 TYR 418 HH -0.0050 0.0024 0.0045 3506 TYR 418 CE2 -0.0062 0.0026 0.0097 3507 TYR 418 CD2 -0.0076 0.0003 0.0109 3508 TYR 418 C -0.0124 -0.0106 0.0099 3509 TYR 418 O -0.0135 -0.0131 0.0097 3510 ILE 419 N -0.0099 0.0006 0.0049 3511 ILE 419 H -0.0111 -0.0012 0.0044 3512 ILE 419 CA -0.0075 0.0043 0.0026 3513 ILE 419 CB -0.0075 0.0047 -0.0009 3514 ILE 419 CG2 -0.0096 0.0020 -0.0047 3515 ILE 419 CG1 -0.0077 0.0042 0.0012 3516 ILE 419 CD1 -0.0073 0.0051 -0.0021 3517 ILE 419 C -0.0051 0.0075 0.0059 3518 ILE 419 O -0.0031 0.0106 0.0049 3519 ASP 420 N -0.0054 0.0067 0.0100 3520 ASP 420 H -0.0071 0.0041 0.0108 3521 ASP 420 CA -0.0032 0.0094 0.0135 3522 ASP 420 CB -0.0038 0.0082 0.0170 3523 ASP 420 CG -0.0035 0.0089 0.0151 3524 ASP 420 OD1 -0.0012 0.0123 0.0148 3525 ASP 420 OD2 -0.0055 0.0061 0.0138 3526 ASP 420 C -0.0028 0.0099 0.0160 3527 ASP 420 O -0.0046 0.0070 0.0178 3528 ASP 420 OXT -0.0005 0.0132 0.0162