1 PRO 42 N 0.0038 -0.0051 0.0051 2 PRO 42 CA 0.0045 -0.0044 0.0035 3 PRO 42 C 0.0029 -0.0043 0.0020 4 PRO 42 O 0.0016 -0.0046 0.0017 5 PRO 42 CB 0.0057 -0.0038 0.0028 6 PRO 42 CG 0.0048 -0.0043 0.0034 7 PRO 42 CD 0.0041 -0.0050 0.0052 8 PRO 42 H 0.0043 -0.0053 0.0062 9 PRO 42 HA 0.0052 -0.0043 0.0038 10 PRO 42 HB3 0.0071 -0.0036 0.0034 11 PRO 42 HB2 0.0058 -0.0033 0.0014 12 PRO 42 HG3 0.0057 -0.0040 0.0035 13 PRO 42 HG2 0.0037 -0.0043 0.0025 14 PRO 42 HD2 0.0028 -0.0055 0.0053 15 PRO 42 HD3 0.0050 -0.0052 0.0063 16 ARG 43 N 0.0032 -0.0039 0.0010 17 ARG 43 CA 0.0018 -0.0039 -0.0003 18 ARG 43 C 0.0014 -0.0035 -0.0019 19 ARG 43 O -0.0001 -0.0037 -0.0025 20 ARG 43 CB 0.0023 -0.0035 -0.0010 21 ARG 43 CG 0.0008 -0.0035 -0.0023 22 ARG 43 CD 0.0014 -0.0030 -0.0033 23 ARG 43 NE 0.0025 -0.0022 -0.0047 24 ARG 43 CZ 0.0026 -0.0017 -0.0063 25 ARG 43 NH1 0.0016 -0.0018 -0.0067 26 ARG 43 NH2 0.0037 -0.0010 -0.0074 27 ARG 43 H 0.0043 -0.0037 0.0013 28 ARG 43 HA 0.0005 -0.0045 0.0003 29 ARG 43 HB3 0.0035 -0.0029 -0.0017 30 ARG 43 HB2 0.0026 -0.0038 0.0001 31 ARG 43 HG3 -0.0005 -0.0041 -0.0017 32 ARG 43 HG2 0.0005 -0.0032 -0.0034 33 ARG 43 HD3 0.0022 -0.0031 -0.0023 34 ARG 43 HD2 0.0002 -0.0032 -0.0037 35 ARG 43 HH22 0.0039 -0.0006 -0.0086 36 ARG 43 HH21 0.0044 -0.0009 -0.0071 37 ARG 43 HH12 0.0015 -0.0014 -0.0080 38 ARG 43 HH11 0.0008 -0.0023 -0.0059 39 ARG 43 HE 0.0033 -0.0021 -0.0044 40 THR 44 N 0.0037 -0.0031 -0.0026 41 THR 44 CA 0.0036 -0.0027 -0.0042 42 THR 44 C 0.0042 -0.0027 -0.0037 43 THR 44 O 0.0056 -0.0026 -0.0029 44 THR 44 CB 0.0048 -0.0021 -0.0055 45 THR 44 OG1 0.0044 -0.0022 -0.0059 46 THR 44 CG2 0.0048 -0.0017 -0.0072 47 THR 44 H 0.0049 -0.0030 -0.0020 48 THR 44 HA 0.0023 -0.0029 -0.0047 49 THR 44 HB 0.0062 -0.0019 -0.0050 50 THR 44 HG1 0.0033 -0.0023 -0.0065 51 THR 44 HG21 0.0056 -0.0013 -0.0081 52 THR 44 HG22 0.0053 -0.0016 -0.0070 53 THR 44 HG23 0.0035 -0.0019 -0.0078 54 VAL 45 N 0.0032 -0.0029 -0.0042 55 VAL 45 CA 0.0035 -0.0029 -0.0039 56 VAL 45 C 0.0033 -0.0025 -0.0056 57 VAL 45 O 0.0025 -0.0024 -0.0068 58 VAL 45 CB 0.0022 -0.0035 -0.0026 59 VAL 45 CG1 0.0024 -0.0038 -0.0009 60 VAL 45 CG2 0.0003 -0.0038 -0.0033 61 VAL 45 H 0.0020 -0.0030 -0.0049 62 VAL 45 HA 0.0048 -0.0027 -0.0033 63 VAL 45 HB 0.0026 -0.0034 -0.0023 64 VAL 45 HG11 0.0017 -0.0043 0.0001 65 VAL 45 HG12 0.0037 -0.0036 -0.0005 66 VAL 45 HG13 0.0018 -0.0039 -0.0011 67 VAL 45 HG21 -0.0005 -0.0042 -0.0024 68 VAL 45 HG22 -0.0002 -0.0038 -0.0037 69 VAL 45 HG23 0.0001 -0.0035 -0.0044 70 MET 46 N 0.0045 -0.0029 -0.0059 71 MET 46 CA 0.0042 -0.0027 -0.0075 72 MET 46 C 0.0025 -0.0030 -0.0073 73 MET 46 O 0.0023 -0.0032 -0.0059 74 MET 46 CB 0.0058 -0.0025 -0.0078 75 MET 46 CG 0.0074 -0.0022 -0.0085 76 MET 46 SD 0.0092 -0.0019 -0.0090 77 MET 46 CE 0.0100 -0.0021 -0.0068 78 MET 46 H 0.0050 -0.0029 -0.0048 79 MET 46 HA 0.0040 -0.0027 -0.0086 80 MET 46 HB3 0.0054 -0.0025 -0.0088 81 MET 46 HB2 0.0061 -0.0026 -0.0067 82 MET 46 HG3 0.0078 -0.0023 -0.0075 83 MET 46 HG2 0.0071 -0.0022 -0.0097 84 MET 46 HE1 0.0112 -0.0019 -0.0069 85 MET 46 HE2 0.0102 -0.0021 -0.0060 86 MET 46 HE3 0.0090 -0.0023 -0.0061 87 VAL 47 N 0.0014 -0.0030 -0.0087 88 VAL 47 CA -0.0001 -0.0032 -0.0088 89 VAL 47 C 0.0000 -0.0030 -0.0105 90 VAL 47 O 0.0003 -0.0028 -0.0119 91 VAL 47 CB -0.0018 -0.0034 -0.0089 92 VAL 47 CG1 -0.0035 -0.0036 -0.0091 93 VAL 47 CG2 -0.0020 -0.0036 -0.0072 94 VAL 47 H 0.0017 -0.0028 -0.0098 95 VAL 47 HA -0.0002 -0.0033 -0.0076 96 VAL 47 HB -0.0018 -0.0033 -0.0100 97 VAL 47 HG11 -0.0047 -0.0038 -0.0091 98 VAL 47 HG12 -0.0035 -0.0035 -0.0104 99 VAL 47 HG13 -0.0036 -0.0037 -0.0081 100 VAL 47 HG21 -0.0032 -0.0038 -0.0072 101 VAL 47 HG22 -0.0018 -0.0037 -0.0060 102 VAL 47 HG23 -0.0009 -0.0035 -0.0072 103 ASN 48 N -0.0007 -0.0030 -0.0093 104 ASN 48 CA -0.0009 -0.0030 -0.0104 105 ASN 48 C -0.0029 -0.0039 -0.0112 106 ASN 48 O -0.0042 -0.0045 -0.0100 107 ASN 48 CB -0.0004 -0.0028 -0.0091 108 ASN 48 CG -0.0001 -0.0026 -0.0102 109 ASN 48 OD1 -0.0008 -0.0028 -0.0118 110 ASN 48 ND2 0.0010 -0.0022 -0.0092 111 ASN 48 H -0.0008 -0.0031 -0.0078 112 ASN 48 HA -0.0000 -0.0025 -0.0118 113 ASN 48 HB3 -0.0014 -0.0034 -0.0079 114 ASN 48 HB2 0.0009 -0.0023 -0.0082 115 ASN 48 HD22 0.0012 -0.0021 -0.0099 116 ASN 48 HD21 0.0015 -0.0021 -0.0078 117 LEU 49 N -0.0033 -0.0039 -0.0132 118 LEU 49 CA -0.0051 -0.0047 -0.0142 119 LEU 49 C -0.0061 -0.0051 -0.0142 120 LEU 49 O -0.0077 -0.0059 -0.0147 121 LEU 49 CB -0.0050 -0.0044 -0.0164 122 LEU 49 CG -0.0044 -0.0042 -0.0166 123 LEU 49 CD1 -0.0046 -0.0041 -0.0188 124 LEU 49 CD2 -0.0056 -0.0048 -0.0152 125 LEU 49 H -0.0022 -0.0033 -0.0141 126 LEU 49 HA -0.0059 -0.0051 -0.0133 127 LEU 49 HB3 -0.0063 -0.0050 -0.0171 128 LEU 49 HB2 -0.0040 -0.0039 -0.0172 129 LEU 49 HG -0.0030 -0.0035 -0.0161 130 LEU 49 HD11 -0.0048 -0.0042 -0.0190 131 LEU 49 HD12 -0.0034 -0.0034 -0.0196 132 LEU 49 HD13 -0.0057 -0.0045 -0.0196 133 LEU 49 HD21 -0.0055 -0.0047 -0.0157 134 LEU 49 HD22 -0.0070 -0.0055 -0.0153 135 LEU 49 HD23 -0.0051 -0.0047 -0.0137 136 ASN 50 N -0.0042 -0.0073 -0.0123 137 ASN 50 CA -0.0056 -0.0082 -0.0119 138 ASN 50 C -0.0070 -0.0085 -0.0099 139 ASN 50 O -0.0067 -0.0078 -0.0081 140 ASN 50 CB -0.0047 -0.0074 -0.0118 141 ASN 50 CG -0.0037 -0.0074 -0.0139 142 ASN 50 OD1 -0.0041 -0.0082 -0.0157 143 ASN 50 ND2 -0.0024 -0.0065 -0.0139 144 ASN 50 H -0.0030 -0.0063 -0.0119 145 ASN 50 HA -0.0063 -0.0091 -0.0133 146 ASN 50 HB3 -0.0057 -0.0080 -0.0111 147 ASN 50 HB2 -0.0037 -0.0064 -0.0106 148 ASN 50 HD22 -0.0019 -0.0066 -0.0153 149 ASN 50 HD21 -0.0021 -0.0059 -0.0125 150 ILE 51 N -0.0085 -0.0096 -0.0102 151 ILE 51 CA -0.0099 -0.0101 -0.0085 152 ILE 51 C -0.0109 -0.0103 -0.0069 153 ILE 51 O -0.0114 -0.0109 -0.0076 154 ILE 51 CB -0.0115 -0.0115 -0.0095 155 ILE 51 CG1 -0.0107 -0.0114 -0.0110 156 ILE 51 CG2 -0.0131 -0.0121 -0.0078 157 ILE 51 CD1 -0.0119 -0.0128 -0.0126 158 ILE 51 H -0.0085 -0.0101 -0.0117 159 ILE 51 HA -0.0092 -0.0094 -0.0076 160 ILE 51 HB -0.0121 -0.0122 -0.0105 161 ILE 51 HG13 -0.0093 -0.0108 -0.0120 162 ILE 51 HG12 -0.0104 -0.0109 -0.0100 163 ILE 51 HG21 -0.0141 -0.0131 -0.0086 164 ILE 51 HG22 -0.0139 -0.0124 -0.0069 165 ILE 51 HG23 -0.0126 -0.0114 -0.0066 166 ILE 51 HD11 -0.0114 -0.0127 -0.0134 167 ILE 51 HD12 -0.0120 -0.0132 -0.0139 168 ILE 51 HD13 -0.0134 -0.0136 -0.0119 169 HIS 52 N -0.0130 -0.0129 -0.0045 170 HIS 52 CA -0.0158 -0.0133 -0.0021 171 HIS 52 C -0.0174 -0.0145 -0.0017 172 HIS 52 O -0.0162 -0.0136 -0.0020 173 HIS 52 CB -0.0158 -0.0103 0.0004 174 HIS 52 CG -0.0152 -0.0095 0.0005 175 HIS 52 ND1 -0.0144 -0.0111 -0.0016 176 HIS 52 CD2 -0.0152 -0.0073 0.0026 177 HIS 52 CE1 -0.0141 -0.0098 -0.0007 178 HIS 52 NE2 -0.0146 -0.0075 0.0018 179 HIS 52 H -0.0118 -0.0114 -0.0044 180 HIS 52 HA -0.0170 -0.0149 -0.0024 181 HIS 52 HB3 -0.0179 -0.0104 0.0023 182 HIS 52 HB2 -0.0143 -0.0085 0.0006 183 HIS 52 HD1 -0.0141 -0.0129 -0.0034 184 HIS 52 HD2 -0.0157 -0.0055 0.0045 185 HIS 52 HE1 -0.0136 -0.0106 -0.0019 186 ASN 53 N -0.0201 -0.0166 -0.0009 187 ASN 53 CA -0.0219 -0.0178 -0.0003 188 ASN 53 C -0.0235 -0.0160 0.0028 189 ASN 53 O -0.0249 -0.0158 0.0044 190 ASN 53 CB -0.0239 -0.0211 -0.0013 191 ASN 53 CG -0.0225 -0.0231 -0.0044 192 ASN 53 OD1 -0.0235 -0.0251 -0.0052 193 ASN 53 ND2 -0.0202 -0.0226 -0.0061 194 ASN 53 H -0.0211 -0.0170 -0.0004 195 ASN 53 HA -0.0206 -0.0177 -0.0014 196 ASN 53 HB3 -0.0257 -0.0218 -0.0002 197 ASN 53 HB2 -0.0248 -0.0215 -0.0007 198 ASN 53 HD22 -0.0193 -0.0239 -0.0081 199 ASN 53 HD21 -0.0194 -0.0209 -0.0053 200 ARG 54 N -0.0237 -0.0161 0.0002 201 ARG 54 CA -0.0258 -0.0125 0.0027 202 ARG 54 C -0.0291 -0.0113 0.0035 203 ARG 54 O -0.0276 -0.0097 0.0046 204 ARG 54 CB -0.0218 -0.0096 0.0047 205 ARG 54 CG -0.0232 -0.0054 0.0077 206 ARG 54 CD -0.0257 -0.0045 0.0083 207 ARG 54 NE -0.0227 -0.0050 0.0080 208 ARG 54 CZ -0.0239 -0.0053 0.0078 209 ARG 54 NH1 -0.0283 -0.0049 0.0080 210 ARG 54 NH2 -0.0207 -0.0062 0.0072 211 ARG 54 H -0.0216 -0.0159 0.0003 212 ARG 54 HA -0.0277 -0.0127 0.0025 213 ARG 54 HB3 -0.0194 -0.0099 0.0046 214 ARG 54 HB2 -0.0199 -0.0106 0.0041 215 ARG 54 HG3 -0.0252 -0.0043 0.0085 216 ARG 54 HG2 -0.0200 -0.0038 0.0089 217 ARG 54 HD3 -0.0285 -0.0065 0.0069 218 ARG 54 HD2 -0.0273 -0.0017 0.0103 219 ARG 54 HH22 -0.0213 -0.0063 0.0071 220 ARG 54 HH21 -0.0174 -0.0068 0.0068 221 ARG 54 HH12 -0.0295 -0.0051 0.0078 222 ARG 54 HH11 -0.0307 -0.0042 0.0084 223 ARG 54 HE -0.0192 -0.0053 0.0079 224 ASN 55 N -0.0336 -0.0120 0.0029 225 ASN 55 CA -0.0375 -0.0104 0.0039 226 ASN 55 C -0.0379 -0.0119 0.0029 227 ASN 55 O -0.0405 -0.0103 0.0040 228 ASN 55 CB -0.0377 -0.0060 0.0071 229 ASN 55 CG -0.0377 -0.0041 0.0084 230 ASN 55 OD1 -0.0369 -0.0058 0.0072 231 ASN 55 ND2 -0.0387 -0.0004 0.0110 232 ASN 55 H -0.0344 -0.0134 0.0019 233 ASN 55 HA -0.0407 -0.0114 0.0032 234 ASN 55 HB3 -0.0408 -0.0050 0.0077 235 ASN 55 HB2 -0.0348 -0.0049 0.0079 236 ASN 55 HD22 -0.0389 0.0009 0.0120 237 ASN 55 HD21 -0.0395 0.0010 0.0120 238 THR 56 N -0.0321 -0.0155 0.0033 239 THR 56 CA -0.0301 -0.0187 0.0023 240 THR 56 C -0.0341 -0.0218 0.0023 241 THR 56 O -0.0329 -0.0246 0.0016 242 THR 56 CB -0.0265 -0.0222 0.0010 243 THR 56 OG1 -0.0289 -0.0247 0.0009 244 THR 56 CG2 -0.0220 -0.0194 0.0008 245 THR 56 H -0.0311 -0.0165 0.0029 246 THR 56 HA -0.0281 -0.0164 0.0024 247 THR 56 HB -0.0252 -0.0249 0.0002 248 THR 56 HG1 -0.0271 -0.0277 -0.0001 249 THR 56 HG21 -0.0199 -0.0219 -0.0001 250 THR 56 HG22 -0.0196 -0.0178 0.0007 251 THR 56 HG23 -0.0231 -0.0165 0.0016 252 TYR 66 N 0.0139 0.0030 0.0010 253 TYR 66 CA 0.0136 0.0027 0.0012 254 TYR 66 C 0.0133 0.0027 0.0004 255 TYR 66 O 0.0127 0.0022 0.0004 256 TYR 66 CB 0.0142 0.0030 0.0018 257 TYR 66 CG 0.0146 0.0031 0.0028 258 TYR 66 CD1 0.0143 0.0026 0.0033 259 TYR 66 CD2 0.0153 0.0035 0.0032 260 TYR 66 CE1 0.0146 0.0027 0.0041 261 TYR 66 CE2 0.0157 0.0036 0.0041 262 TYR 66 CZ 0.0153 0.0031 0.0046 263 TYR 66 OH 0.0156 0.0032 0.0054 264 TYR 66 H 0.0145 0.0034 0.0011 265 TYR 66 HA 0.0132 0.0022 0.0016 266 TYR 66 HB3 0.0140 0.0028 0.0020 267 TYR 66 HB2 0.0147 0.0035 0.0014 268 TYR 66 HD1 0.0137 0.0023 0.0030 269 TYR 66 HD2 0.0156 0.0039 0.0028 270 TYR 66 HE1 0.0143 0.0023 0.0045 271 TYR 66 HE2 0.0162 0.0039 0.0044 272 TYR 66 HH 0.0161 0.0035 0.0056 273 TYR 67 N 0.0136 0.0032 -0.0004 274 TYR 67 CA 0.0133 0.0032 -0.0013 275 TYR 67 C 0.0125 0.0026 -0.0017 276 TYR 67 O 0.0121 0.0024 -0.0022 277 TYR 67 CB 0.0138 0.0038 -0.0020 278 TYR 67 CG 0.0138 0.0040 -0.0025 279 TYR 67 CD1 0.0141 0.0040 -0.0020 280 TYR 67 CD2 0.0135 0.0040 -0.0035 281 TYR 67 CE1 0.0140 0.0041 -0.0026 282 TYR 67 CE2 0.0135 0.0041 -0.0040 283 TYR 67 CZ 0.0137 0.0042 -0.0035 284 TYR 67 OH 0.0137 0.0042 -0.0040 285 TYR 67 H 0.0140 0.0035 -0.0004 286 TYR 67 HA 0.0132 0.0031 -0.0012 287 TYR 67 HB3 0.0144 0.0042 -0.0016 288 TYR 67 HB2 0.0137 0.0039 -0.0025 289 TYR 67 HD1 0.0143 0.0040 -0.0013 290 TYR 67 HD2 0.0134 0.0040 -0.0038 291 TYR 67 HE1 0.0142 0.0042 -0.0022 292 TYR 67 HE2 0.0133 0.0042 -0.0047 293 TYR 67 HH 0.0136 0.0044 -0.0046 294 ASN 68 N 0.0126 0.0030 -0.0019 295 ASN 68 CA 0.0116 0.0025 -0.0023 296 ASN 68 C 0.0110 0.0020 -0.0014 297 ASN 68 O 0.0102 0.0016 -0.0016 298 ASN 68 CB 0.0116 0.0026 -0.0027 299 ASN 68 CG 0.0120 0.0030 -0.0038 300 ASN 68 OD1 0.0118 0.0030 -0.0045 301 ASN 68 ND2 0.0125 0.0033 -0.0039 302 ASN 68 H 0.0129 0.0032 -0.0015 303 ASN 68 HA 0.0114 0.0025 -0.0030 304 ASN 68 HB3 0.0109 0.0022 -0.0027 305 ASN 68 HB2 0.0120 0.0027 -0.0021 306 ASN 68 HD22 0.0128 0.0036 -0.0046 307 ASN 68 HD21 0.0126 0.0033 -0.0033 308 ARG 69 N 0.0112 0.0020 -0.0004 309 ARG 69 CA 0.0106 0.0015 0.0005 310 ARG 69 C 0.0105 0.0013 0.0010 311 ARG 69 O 0.0099 0.0009 0.0017 312 ARG 69 CB 0.0111 0.0016 0.0013 313 ARG 69 CG 0.0112 0.0018 0.0009 314 ARG 69 CD 0.0120 0.0021 0.0016 315 ARG 69 NE 0.0119 0.0019 0.0028 316 ARG 69 CZ 0.0125 0.0021 0.0036 317 ARG 69 NH1 0.0123 0.0019 0.0046 318 ARG 69 NH2 0.0134 0.0027 0.0033 319 ARG 69 H 0.0119 0.0024 -0.0003 320 ARG 69 HA 0.0100 0.0011 0.0002 321 ARG 69 HB3 0.0107 0.0013 0.0020 322 ARG 69 HB2 0.0118 0.0020 0.0016 323 ARG 69 HG3 0.0114 0.0020 0.0001 324 ARG 69 HG2 0.0105 0.0014 0.0008 325 ARG 69 HD3 0.0126 0.0026 0.0014 326 ARG 69 HD2 0.0119 0.0021 0.0014 327 ARG 69 HH22 0.0139 0.0029 0.0039 328 ARG 69 HH21 0.0135 0.0029 0.0026 329 ARG 69 HH12 0.0128 0.0021 0.0052 330 ARG 69 HH11 0.0117 0.0015 0.0047 331 ARG 69 HE 0.0112 0.0014 0.0030 332 SER 70 N 0.0100 0.0017 -0.0005 333 SER 70 CA 0.0100 0.0016 0.0007 334 SER 70 C 0.0085 0.0012 0.0005 335 SER 70 O 0.0079 0.0011 -0.0008 336 SER 70 CB 0.0115 0.0020 0.0005 337 SER 70 OG 0.0116 0.0019 0.0014 338 SER 70 H 0.0108 0.0019 -0.0014 339 SER 70 HA 0.0100 0.0015 0.0019 340 SER 70 HB3 0.0117 0.0022 -0.0007 341 SER 70 HB2 0.0125 0.0022 0.0009 342 SER 70 HG 0.0122 0.0020 0.0024 343 THR 71 N 0.0080 0.0009 0.0019 344 THR 71 CA 0.0068 0.0006 0.0019 345 THR 71 C 0.0075 0.0008 0.0012 346 THR 71 O 0.0066 0.0006 0.0009 347 THR 71 CB 0.0063 0.0003 0.0037 348 THR 71 OG1 0.0075 0.0005 0.0047 349 THR 71 CG2 0.0055 0.0000 0.0044 350 THR 71 H 0.0086 0.0010 0.0030 351 THR 71 HA 0.0058 0.0004 0.0012 352 THR 71 HB 0.0054 0.0000 0.0036 353 THR 71 HG1 0.0075 0.0005 0.0046 354 THR 71 HG21 0.0051 -0.0002 0.0056 355 THR 71 HG22 0.0045 -0.0002 0.0037 356 THR 71 HG23 0.0064 0.0002 0.0046 357 SER 72 N 0.0091 0.0009 0.0003 358 SER 72 CA 0.0099 0.0011 -0.0004 359 SER 72 C 0.0109 0.0014 -0.0016 360 SER 72 O 0.0121 0.0018 -0.0014 361 SER 72 CB 0.0107 0.0014 0.0007 362 SER 72 OG 0.0114 0.0016 0.0017 363 SER 72 H 0.0097 0.0011 0.0006 364 SER 72 HA 0.0093 0.0009 -0.0010 365 SER 72 HB3 0.0101 0.0012 0.0013 366 SER 72 HB2 0.0115 0.0016 0.0002 367 SER 72 HG 0.0118 0.0017 0.0011 368 PRO 73 N 0.0102 0.0012 -0.0027 369 PRO 73 CA 0.0110 0.0015 -0.0037 370 PRO 73 C 0.0120 0.0018 -0.0046 371 PRO 73 O 0.0118 0.0018 -0.0049 372 PRO 73 CB 0.0099 0.0011 -0.0046 373 PRO 73 CG 0.0087 0.0008 -0.0047 374 PRO 73 CD 0.0088 0.0008 -0.0032 375 PRO 73 HA 0.0116 0.0017 -0.0031 376 PRO 73 HB3 0.0096 0.0010 -0.0041 377 PRO 73 HB2 0.0102 0.0013 -0.0057 378 PRO 73 HG3 0.0078 0.0004 -0.0049 379 PRO 73 HG2 0.0090 0.0008 -0.0055 380 PRO 73 HD2 0.0085 0.0007 -0.0032 381 PRO 73 HD3 0.0082 0.0006 -0.0024 382 TRP 74 N 0.0122 0.0018 -0.0032 383 TRP 74 CA 0.0125 0.0025 -0.0038 384 TRP 74 C 0.0127 0.0031 -0.0042 385 TRP 74 O 0.0129 0.0030 -0.0039 386 TRP 74 CB 0.0130 0.0028 -0.0034 387 TRP 74 CG 0.0137 0.0031 -0.0027 388 TRP 74 CD1 0.0143 0.0039 -0.0028 389 TRP 74 CD2 0.0139 0.0027 -0.0017 390 TRP 74 NE1 0.0148 0.0040 -0.0019 391 TRP 74 CE2 0.0146 0.0033 -0.0012 392 TRP 74 CE3 0.0135 0.0020 -0.0012 393 TRP 74 CZ2 0.0150 0.0031 -0.0003 394 TRP 74 CZ3 0.0139 0.0017 -0.0002 395 TRP 74 CH2 0.0146 0.0023 0.0002 396 TRP 74 H 0.0125 0.0019 -0.0028 397 TRP 74 HA 0.0120 0.0023 -0.0044 398 TRP 74 HB3 0.0128 0.0024 -0.0031 399 TRP 74 HB2 0.0131 0.0033 -0.0039 400 TRP 74 HD1 0.0143 0.0044 -0.0034 401 TRP 74 HE1 0.0153 0.0045 -0.0018 402 TRP 74 HE3 0.0130 0.0015 -0.0015 403 TRP 74 HZ2 0.0155 0.0035 0.0000 404 TRP 74 HZ3 0.0136 0.0011 0.0002 405 TRP 74 HH2 0.0148 0.0021 0.0009 406 ASN 75 N 0.0128 0.0036 -0.0050 407 ASN 75 CA 0.0132 0.0043 -0.0054 408 ASN 75 C 0.0138 0.0050 -0.0054 409 ASN 75 O 0.0137 0.0050 -0.0055 410 ASN 75 CB 0.0127 0.0044 -0.0064 411 ASN 75 CG 0.0120 0.0037 -0.0065 412 ASN 75 OD1 0.0121 0.0033 -0.0059 413 ASN 75 ND2 0.0114 0.0035 -0.0072 414 ASN 75 H 0.0127 0.0036 -0.0052 415 ASN 75 HA 0.0134 0.0043 -0.0050 416 ASN 75 HB3 0.0129 0.0049 -0.0067 417 ASN 75 HB2 0.0125 0.0044 -0.0068 418 ASN 75 HD22 0.0110 0.0030 -0.0073 419 ASN 75 HD21 0.0114 0.0038 -0.0077 420 LEU 76 N 0.0139 0.0070 -0.0042 421 LEU 76 CA 0.0130 0.0079 -0.0043 422 LEU 76 C 0.0118 0.0093 -0.0044 423 LEU 76 O 0.0122 0.0102 -0.0039 424 LEU 76 CB 0.0141 0.0086 -0.0034 425 LEU 76 CG 0.0153 0.0072 -0.0032 426 LEU 76 CD1 0.0163 0.0080 -0.0022 427 LEU 76 CD2 0.0145 0.0061 -0.0042 428 LEU 76 H 0.0147 0.0075 -0.0035 429 LEU 76 HA 0.0125 0.0071 -0.0050 430 LEU 76 HB3 0.0134 0.0093 -0.0035 431 LEU 76 HB2 0.0147 0.0094 -0.0027 432 LEU 76 HG 0.0160 0.0064 -0.0031 433 LEU 76 HD11 0.0172 0.0071 -0.0021 434 LEU 76 HD12 0.0169 0.0088 -0.0016 435 LEU 76 HD13 0.0157 0.0087 -0.0023 436 LEU 76 HD21 0.0150 0.0058 -0.0040 437 LEU 76 HD22 0.0133 0.0067 -0.0047 438 LEU 76 HD23 0.0145 0.0049 -0.0047 439 HIS 77 N 0.0104 0.0095 -0.0052 440 HIS 77 CA 0.0092 0.0109 -0.0054 441 HIS 77 C 0.0086 0.0119 -0.0053 442 HIS 77 O 0.0087 0.0112 -0.0055 443 HIS 77 CB 0.0079 0.0102 -0.0064 444 HIS 77 CG 0.0084 0.0094 -0.0065 445 HIS 77 ND1 0.0093 0.0099 -0.0057 446 HIS 77 CD2 0.0081 0.0079 -0.0073 447 HIS 77 CE1 0.0094 0.0089 -0.0061 448 HIS 77 NE2 0.0087 0.0076 -0.0071 449 HIS 77 H 0.0102 0.0088 -0.0057 450 HIS 77 HA 0.0096 0.0118 -0.0048 451 HIS 77 HB3 0.0069 0.0113 -0.0066 452 HIS 77 HB2 0.0075 0.0094 -0.0071 453 HIS 77 HD1 0.0098 0.0109 -0.0050 454 HIS 77 HD2 0.0074 0.0071 -0.0081 455 HIS 77 HE1 0.0101 0.0090 -0.0056 456 ARG 78 N 0.0041 0.0175 -0.0043 457 ARG 78 CA 0.0037 0.0180 -0.0041 458 ARG 78 C 0.0004 0.0175 -0.0042 459 ARG 78 O -0.0015 0.0192 -0.0034 460 ARG 78 CB 0.0047 0.0211 -0.0030 461 ARG 78 CG 0.0050 0.0218 -0.0027 462 ARG 78 CD 0.0062 0.0249 -0.0017 463 ARG 78 NE 0.0060 0.0258 -0.0013 464 ARG 78 CZ 0.0036 0.0268 -0.0008 465 ARG 78 NH1 0.0038 0.0274 -0.0005 466 ARG 78 NH2 0.0009 0.0270 -0.0006 467 ARG 78 H 0.0037 0.0191 -0.0037 468 ARG 78 HA 0.0051 0.0166 -0.0048 469 ARG 78 HB3 0.0032 0.0225 -0.0024 470 ARG 78 HB2 0.0069 0.0215 -0.0030 471 ARG 78 HG3 0.0067 0.0204 -0.0034 472 ARG 78 HG2 0.0029 0.0214 -0.0028 473 ARG 78 HD3 0.0053 0.0263 -0.0010 474 ARG 78 HD2 0.0086 0.0248 -0.0018 475 ARG 78 HH22 -0.0009 0.0275 -0.0003 476 ARG 78 HH21 0.0005 0.0265 -0.0007 477 ARG 78 HH12 0.0019 0.0275 -0.0004 478 ARG 78 HH11 0.0058 0.0275 -0.0006 479 ARG 78 HE 0.0079 0.0255 -0.0015 480 ASN 79 N -0.0003 0.0151 -0.0050 481 ASN 79 CA -0.0032 0.0143 -0.0052 482 ASN 79 C -0.0032 0.0155 -0.0048 483 ASN 79 O -0.0014 0.0145 -0.0052 484 ASN 79 CB -0.0035 0.0111 -0.0064 485 ASN 79 CG -0.0064 0.0097 -0.0068 486 ASN 79 OD1 -0.0079 0.0109 -0.0063 487 ASN 79 ND2 -0.0071 0.0072 -0.0077 488 ASN 79 H 0.0014 0.0138 -0.0056 489 ASN 79 HA -0.0050 0.0153 -0.0047 490 ASN 79 HB3 -0.0017 0.0101 -0.0069 491 ASN 79 HB2 -0.0034 0.0104 -0.0067 492 ASN 79 HD22 -0.0091 0.0062 -0.0080 493 ASN 79 HD21 -0.0057 0.0061 -0.0082 494 GLU 80 N -0.0066 0.0161 -0.0063 495 GLU 80 CA -0.0072 0.0167 -0.0059 496 GLU 80 C -0.0106 0.0158 -0.0057 497 GLU 80 O -0.0126 0.0161 -0.0051 498 GLU 80 CB -0.0064 0.0198 -0.0046 499 GLU 80 CG -0.0067 0.0205 -0.0042 500 GLU 80 CD -0.0051 0.0234 -0.0032 501 GLU 80 OE1 -0.0054 0.0254 -0.0022 502 GLU 80 OE2 -0.0032 0.0235 -0.0036 503 GLU 80 H -0.0080 0.0169 -0.0056 504 GLU 80 HA -0.0058 0.0156 -0.0068 505 GLU 80 HB3 -0.0078 0.0212 -0.0037 506 GLU 80 HB2 -0.0040 0.0204 -0.0048 507 GLU 80 HG3 -0.0058 0.0189 -0.0052 508 GLU 80 HG2 -0.0091 0.0206 -0.0037 509 ASP 81 N -0.0110 0.0147 -0.0061 510 ASP 81 CA -0.0138 0.0135 -0.0061 511 ASP 81 C -0.0135 0.0138 -0.0060 512 ASP 81 O -0.0118 0.0124 -0.0070 513 ASP 81 CB -0.0143 0.0103 -0.0075 514 ASP 81 CG -0.0172 0.0085 -0.0077 515 ASP 81 OD1 -0.0187 0.0092 -0.0071 516 ASP 81 OD2 -0.0176 0.0061 -0.0088 517 ASP 81 H -0.0091 0.0145 -0.0066 518 ASP 81 HA -0.0157 0.0145 -0.0052 519 ASP 81 HB3 -0.0123 0.0093 -0.0084 520 ASP 81 HB2 -0.0143 0.0103 -0.0075 521 PRO 82 N -0.0134 0.0156 -0.0106 522 PRO 82 CA -0.0121 0.0162 -0.0108 523 PRO 82 C -0.0124 0.0140 -0.0108 524 PRO 82 O -0.0108 0.0139 -0.0111 525 PRO 82 CB -0.0134 0.0189 -0.0105 526 PRO 82 CG -0.0162 0.0188 -0.0100 527 PRO 82 CD -0.0158 0.0174 -0.0101 528 PRO 82 HA -0.0100 0.0166 -0.0112 529 PRO 82 HB3 -0.0123 0.0206 -0.0106 530 PRO 82 HB2 -0.0135 0.0192 -0.0104 531 PRO 82 HG3 -0.0171 0.0208 -0.0097 532 PRO 82 HG2 -0.0176 0.0176 -0.0098 533 PRO 82 HD2 -0.0176 0.0162 -0.0098 534 PRO 82 HD3 -0.0152 0.0188 -0.0101 535 GLU 83 N -0.0143 0.0121 -0.0106 536 GLU 83 CA -0.0149 0.0098 -0.0105 537 GLU 83 C -0.0132 0.0073 -0.0109 538 GLU 83 O -0.0136 0.0051 -0.0109 539 GLU 83 CB -0.0180 0.0092 -0.0100 540 GLU 83 CG -0.0196 0.0114 -0.0096 541 GLU 83 CD -0.0190 0.0117 -0.0097 542 GLU 83 OE1 -0.0192 0.0097 -0.0097 543 GLU 83 OE2 -0.0181 0.0140 -0.0098 544 GLU 83 H -0.0155 0.0121 -0.0103 545 GLU 83 HA -0.0143 0.0103 -0.0106 546 GLU 83 HB3 -0.0184 0.0072 -0.0100 547 GLU 83 HB2 -0.0186 0.0090 -0.0099 548 GLU 83 HG3 -0.0218 0.0110 -0.0092 549 GLU 83 HG2 -0.0193 0.0134 -0.0096 550 ARG 84 N -0.0119 0.0052 -0.0073 551 ARG 84 CA -0.0105 0.0038 -0.0083 552 ARG 84 C -0.0084 0.0044 -0.0091 553 ARG 84 O -0.0078 0.0062 -0.0088 554 ARG 84 CB -0.0106 0.0040 -0.0082 555 ARG 84 CG -0.0096 0.0025 -0.0091 556 ARG 84 CD -0.0098 0.0030 -0.0088 557 ARG 84 NE -0.0087 0.0050 -0.0088 558 ARG 84 CZ -0.0090 0.0062 -0.0083 559 ARG 84 NH1 -0.0079 0.0080 -0.0083 560 ARG 84 NH2 -0.0105 0.0057 -0.0078 561 ARG 84 H -0.0115 0.0067 -0.0071 562 ARG 84 HA -0.0110 0.0022 -0.0085 563 ARG 84 HB3 -0.0101 0.0056 -0.0080 564 ARG 84 HB2 -0.0122 0.0039 -0.0076 565 ARG 84 HG3 -0.0101 0.0009 -0.0093 566 ARG 84 HG2 -0.0080 0.0027 -0.0097 567 ARG 84 HD3 -0.0113 0.0032 -0.0081 568 ARG 84 HD2 -0.0094 0.0017 -0.0093 569 ARG 84 HH22 -0.0107 0.0067 -0.0074 570 ARG 84 HH21 -0.0115 0.0045 -0.0077 571 ARG 84 HH12 -0.0081 0.0089 -0.0080 572 ARG 84 HH11 -0.0072 0.0088 -0.0084 573 ARG 84 HE -0.0074 0.0054 -0.0092 574 PRO 86 N -0.0045 0.0000 -0.0105 575 PRO 86 CA -0.0037 0.0027 -0.0102 576 PRO 86 C -0.0060 0.0044 -0.0095 577 PRO 86 O -0.0077 0.0033 -0.0093 578 PRO 86 CB -0.0018 0.0022 -0.0107 579 PRO 86 CG -0.0009 -0.0006 -0.0113 580 PRO 86 CD -0.0034 -0.0019 -0.0110 581 PRO 86 HA -0.0026 0.0036 -0.0103 582 PRO 86 HB3 -0.0002 0.0036 -0.0108 583 PRO 86 HB2 -0.0028 0.0024 -0.0104 584 PRO 86 HG3 0.0006 -0.0007 -0.0116 585 PRO 86 HG2 -0.0003 -0.0015 -0.0115 586 PRO 86 HD2 -0.0048 -0.0024 -0.0108 587 PRO 86 HD3 -0.0029 -0.0038 -0.0114 588 SER 87 N -0.0060 0.0069 -0.0091 589 SER 87 CA -0.0081 0.0086 -0.0085 590 SER 87 C -0.0081 0.0094 -0.0083 591 SER 87 O -0.0102 0.0094 -0.0079 592 SER 87 CB -0.0080 0.0110 -0.0081 593 SER 87 OG -0.0055 0.0123 -0.0084 594 SER 87 H -0.0045 0.0077 -0.0093 595 SER 87 HA -0.0100 0.0076 -0.0082 596 SER 87 HB3 -0.0084 0.0104 -0.0081 597 SER 87 HB2 -0.0095 0.0124 -0.0076 598 SER 87 HG -0.0058 0.0142 -0.0081 599 VAL 88 N 0.0008 0.0128 -0.0050 600 VAL 88 CA 0.0016 0.0136 -0.0050 601 VAL 88 C 0.0028 0.0110 -0.0061 602 VAL 88 O 0.0046 0.0097 -0.0070 603 VAL 88 CB 0.0039 0.0161 -0.0050 604 VAL 88 CG1 0.0050 0.0170 -0.0050 605 VAL 88 CG2 0.0029 0.0187 -0.0039 606 VAL 88 H 0.0023 0.0125 -0.0056 607 VAL 88 HA -0.0003 0.0142 -0.0043 608 VAL 88 HB 0.0058 0.0154 -0.0057 609 VAL 88 HG11 0.0064 0.0189 -0.0048 610 VAL 88 HG12 0.0061 0.0153 -0.0058 611 VAL 88 HG13 0.0032 0.0174 -0.0044 612 VAL 88 HG21 0.0045 0.0204 -0.0039 613 VAL 88 HG22 0.0010 0.0194 -0.0032 614 VAL 88 HG23 0.0022 0.0182 -0.0039 615 ILE 89 N 0.0018 0.0104 -0.0060 616 ILE 89 CA 0.0030 0.0084 -0.0070 617 ILE 89 C 0.0035 0.0100 -0.0066 618 ILE 89 O 0.0019 0.0118 -0.0057 619 ILE 89 CB 0.0009 0.0056 -0.0072 620 ILE 89 CG1 0.0008 0.0039 -0.0077 621 ILE 89 CG2 0.0016 0.0037 -0.0080 622 ILE 89 CD1 -0.0015 0.0014 -0.0077 623 ILE 89 H 0.0003 0.0116 -0.0053 624 ILE 89 HA 0.0050 0.0078 -0.0077 625 ILE 89 HB -0.0012 0.0063 -0.0064 626 ILE 89 HG13 0.0004 0.0053 -0.0072 627 ILE 89 HG12 0.0028 0.0031 -0.0085 628 ILE 89 HG21 0.0000 0.0019 -0.0080 629 ILE 89 HG22 0.0016 0.0048 -0.0076 630 ILE 89 HG23 0.0037 0.0028 -0.0088 631 ILE 89 HD11 -0.0021 0.0009 -0.0077 632 ILE 89 HD12 -0.0034 0.0020 -0.0071 633 ILE 89 HD13 -0.0008 -0.0004 -0.0085 634 TRP 90 N 0.0092 0.0086 -0.0051 635 TRP 90 CA 0.0100 0.0093 -0.0049 636 TRP 90 C 0.0097 0.0073 -0.0057 637 TRP 90 O 0.0109 0.0056 -0.0064 638 TRP 90 CB 0.0127 0.0103 -0.0050 639 TRP 90 CG 0.0131 0.0125 -0.0042 640 TRP 90 CD1 0.0137 0.0128 -0.0042 641 TRP 90 CD2 0.0130 0.0148 -0.0033 642 TRP 90 NE1 0.0140 0.0152 -0.0034 643 TRP 90 CE2 0.0136 0.0165 -0.0028 644 TRP 90 CE3 0.0125 0.0157 -0.0030 645 TRP 90 CZ2 0.0138 0.0189 -0.0020 646 TRP 90 CZ3 0.0126 0.0181 -0.0021 647 TRP 90 CH2 0.0133 0.0197 -0.0016 648 TRP 90 H 0.0101 0.0073 -0.0057 649 TRP 90 HA 0.0089 0.0107 -0.0043 650 TRP 90 HB3 0.0133 0.0105 -0.0050 651 TRP 90 HB2 0.0138 0.0090 -0.0056 652 TRP 90 HD1 0.0139 0.0115 -0.0047 653 TRP 90 HE1 0.0146 0.0158 -0.0032 654 TRP 90 HE3 0.0120 0.0145 -0.0033 655 TRP 90 HZ2 0.0143 0.0201 -0.0016 656 TRP 90 HZ3 0.0123 0.0187 -0.0018 657 TRP 90 HH2 0.0134 0.0215 -0.0010 658 GLU 91 N 0.0081 0.0074 -0.0054 659 GLU 91 CA 0.0075 0.0055 -0.0060 660 GLU 91 C 0.0086 0.0061 -0.0059 661 GLU 91 O 0.0086 0.0081 -0.0052 662 GLU 91 CB 0.0047 0.0052 -0.0057 663 GLU 91 CG 0.0036 0.0039 -0.0060 664 GLU 91 CD 0.0010 0.0043 -0.0055 665 GLU 91 OE1 -0.0002 0.0057 -0.0048 666 GLU 91 OE2 0.0002 0.0033 -0.0058 667 GLU 91 H 0.0072 0.0089 -0.0047 668 GLU 91 HA 0.0082 0.0039 -0.0067 669 GLU 91 HB3 0.0041 0.0044 -0.0059 670 GLU 91 HB2 0.0039 0.0069 -0.0049 671 GLU 91 HG3 0.0047 0.0042 -0.0061 672 GLU 91 HG2 0.0037 0.0020 -0.0067 673 ALA 92 N 0.0127 0.0052 -0.0042 674 ALA 92 CA 0.0128 0.0043 -0.0042 675 ALA 92 C 0.0119 0.0038 -0.0050 676 ALA 92 O 0.0115 0.0035 -0.0054 677 ALA 92 CB 0.0133 0.0034 -0.0036 678 ALA 92 H 0.0128 0.0050 -0.0041 679 ALA 92 HA 0.0131 0.0046 -0.0039 680 ALA 92 HB1 0.0134 0.0027 -0.0036 681 ALA 92 HB2 0.0139 0.0037 -0.0030 682 ALA 92 HB3 0.0131 0.0031 -0.0039 683 LYS 93 N 0.0117 0.0037 -0.0051 684 LYS 93 CA 0.0110 0.0031 -0.0058 685 LYS 93 C 0.0113 0.0022 -0.0055 686 LYS 93 O 0.0118 0.0024 -0.0051 687 LYS 93 CB 0.0104 0.0039 -0.0063 688 LYS 93 CG 0.0096 0.0034 -0.0071 689 LYS 93 CD 0.0091 0.0043 -0.0076 690 LYS 93 CE 0.0083 0.0039 -0.0084 691 LYS 93 NZ 0.0079 0.0048 -0.0088 692 LYS 93 H 0.0121 0.0040 -0.0048 693 LYS 93 HA 0.0107 0.0027 -0.0061 694 LYS 93 HB3 0.0108 0.0043 -0.0060 695 LYS 93 HB2 0.0103 0.0046 -0.0065 696 LYS 93 HG3 0.0093 0.0031 -0.0074 697 LYS 93 HG2 0.0097 0.0027 -0.0070 698 LYS 93 HD3 0.0095 0.0046 -0.0073 699 LYS 93 HD2 0.0091 0.0051 -0.0076 700 LYS 93 HE3 0.0079 0.0037 -0.0087 701 LYS 93 HE2 0.0083 0.0032 -0.0083 702 LYS 93 HZ1 0.0082 0.0050 -0.0085 703 LYS 93 HZ2 0.0073 0.0046 -0.0093 704 LYS 93 HZ3 0.0078 0.0055 -0.0089 705 CYS 94 N 0.0134 0.0028 -0.0056 706 CYS 94 CA 0.0124 0.0021 -0.0052 707 CYS 94 C 0.0115 0.0018 -0.0062 708 CYS 94 O 0.0114 0.0020 -0.0071 709 CYS 94 CB 0.0120 0.0016 -0.0042 710 CYS 94 SG 0.0131 0.0020 -0.0032 711 CYS 94 H 0.0136 0.0029 -0.0054 712 CYS 94 HA 0.0126 0.0021 -0.0047 713 CYS 94 HB3 0.0115 0.0011 -0.0037 714 CYS 94 HB2 0.0116 0.0014 -0.0047 715 ARG 95 N 0.0109 0.0014 -0.0061 716 ARG 95 CA 0.0101 0.0011 -0.0071 717 ARG 95 C 0.0091 0.0005 -0.0072 718 ARG 95 O 0.0084 0.0004 -0.0081 719 ARG 95 CB 0.0097 0.0009 -0.0069 720 ARG 95 CG 0.0106 0.0015 -0.0069 721 ARG 95 CD 0.0103 0.0012 -0.0067 722 ARG 95 NE 0.0112 0.0017 -0.0065 723 ARG 95 CZ 0.0112 0.0016 -0.0062 724 ARG 95 NH1 0.0104 0.0010 -0.0060 725 ARG 95 NH2 0.0122 0.0022 -0.0060 726 ARG 95 H 0.0110 0.0013 -0.0054 727 ARG 95 HA 0.0104 0.0016 -0.0080 728 ARG 95 HB3 0.0091 0.0007 -0.0076 729 ARG 95 HB2 0.0094 0.0004 -0.0061 730 ARG 95 HG3 0.0113 0.0017 -0.0062 731 ARG 95 HG2 0.0109 0.0019 -0.0078 732 ARG 95 HD3 0.0098 0.0011 -0.0076 733 ARG 95 HD2 0.0097 0.0006 -0.0060 734 ARG 95 HH22 0.0122 0.0022 -0.0058 735 ARG 95 HH21 0.0128 0.0026 -0.0060 736 ARG 95 HH12 0.0104 0.0010 -0.0058 737 ARG 95 HH11 0.0096 0.0006 -0.0061 738 ARG 95 HE 0.0118 0.0022 -0.0068 739 HIS 96 N 0.0105 -0.0004 -0.0077 740 HIS 96 CA 0.0093 -0.0004 -0.0069 741 HIS 96 C 0.0105 0.0004 -0.0053 742 HIS 96 O 0.0119 0.0010 -0.0044 743 HIS 96 CB 0.0071 -0.0005 -0.0061 744 HIS 96 CG 0.0059 -0.0012 -0.0075 745 HIS 96 ND1 0.0048 -0.0020 -0.0091 746 HIS 96 CD2 0.0055 -0.0013 -0.0075 747 HIS 96 CE1 0.0040 -0.0025 -0.0101 748 HIS 96 NE2 0.0044 -0.0021 -0.0092 749 HIS 96 H 0.0112 0.0001 -0.0066 750 HIS 96 HA 0.0091 -0.0008 -0.0082 751 HIS 96 HB3 0.0061 -0.0006 -0.0056 752 HIS 96 HB2 0.0073 -0.0000 -0.0047 753 HIS 96 HD1 0.0047 -0.0022 -0.0096 754 HIS 96 HD2 0.0061 -0.0009 -0.0065 755 HIS 96 HE1 0.0031 -0.0031 -0.0114 756 LEU 97 N 0.0100 0.0004 -0.0049 757 LEU 97 CA 0.0107 0.0011 -0.0032 758 LEU 97 C 0.0093 0.0015 -0.0012 759 LEU 97 O 0.0101 0.0022 0.0004 760 LEU 97 CB 0.0107 0.0010 -0.0036 761 LEU 97 CG 0.0121 0.0006 -0.0054 762 LEU 97 CD1 0.0116 0.0003 -0.0061 763 LEU 97 CD2 0.0145 0.0012 -0.0050 764 LEU 97 H 0.0090 -0.0001 -0.0058 765 LEU 97 HA 0.0124 0.0016 -0.0028 766 LEU 97 HB3 0.0111 0.0015 -0.0022 767 LEU 97 HB2 0.0090 0.0006 -0.0038 768 LEU 97 HG 0.0118 0.0001 -0.0068 769 LEU 97 HD11 0.0127 0.0001 -0.0073 770 LEU 97 HD12 0.0100 -0.0001 -0.0066 771 LEU 97 HD13 0.0117 0.0008 -0.0048 772 LEU 97 HD21 0.0155 0.0012 -0.0058 773 LEU 97 HD22 0.0148 0.0018 -0.0034 774 LEU 97 HD23 0.0151 0.0012 -0.0056 775 GLY 98 N 0.0072 0.0015 -0.0009 776 GLY 98 CA 0.0056 0.0018 0.0007 777 GLY 98 C 0.0056 0.0017 0.0005 778 GLY 98 O 0.0071 0.0016 -0.0007 779 GLY 98 H 0.0066 0.0012 -0.0024 780 GLY 98 HA3 0.0038 0.0016 0.0003 781 GLY 98 HA2 0.0060 0.0022 0.0024 782 CYS 99 N 0.0040 0.0019 0.0016 783 CYS 99 CA 0.0038 0.0019 0.0015 784 CYS 99 C 0.0014 0.0016 0.0005 785 CYS 99 O -0.0003 0.0016 0.0009 786 CYS 99 CB 0.0039 0.0024 0.0039 787 CYS 99 SG 0.0066 0.0029 0.0055 788 CYS 99 H 0.0027 0.0020 0.0024 789 CYS 99 HA 0.0051 0.0017 0.0004 790 CYS 99 HB3 0.0037 0.0024 0.0038 791 CYS 99 HB2 0.0024 0.0026 0.0050 792 ILE 100 N 0.0012 0.0005 0.0014 793 ILE 100 CA -0.0023 0.0005 -0.0002 794 ILE 100 C -0.0045 0.0010 0.0029 795 ILE 100 O -0.0028 0.0012 0.0049 796 ILE 100 CB -0.0013 -0.0000 -0.0037 797 ILE 100 CG1 0.0014 -0.0006 -0.0067 798 ILE 100 CG2 -0.0050 -0.0001 -0.0057 799 ILE 100 CD1 -0.0001 -0.0008 -0.0085 800 ILE 100 H 0.0038 0.0004 0.0012 801 ILE 100 HA -0.0041 0.0004 -0.0014 802 ILE 100 HB 0.0002 0.0001 -0.0024 803 ILE 100 HG13 0.0020 -0.0009 -0.0090 804 ILE 100 HG12 0.0043 -0.0005 -0.0054 805 ILE 100 HG21 -0.0042 -0.0005 -0.0082 806 ILE 100 HG22 -0.0067 0.0002 -0.0037 807 ILE 100 HG23 -0.0069 -0.0002 -0.0067 808 ILE 100 HD11 0.0017 -0.0012 -0.0109 809 ILE 100 HD12 -0.0031 -0.0008 -0.0097 810 ILE 100 HD13 -0.0002 -0.0005 -0.0064 811 ASN 101 N -0.0083 0.0013 0.0034 812 ASN 101 CA -0.0110 0.0018 0.0061 813 ASN 101 C -0.0132 0.0016 0.0042 814 ASN 101 O -0.0125 0.0011 0.0008 815 ASN 101 CB -0.0138 0.0021 0.0079 816 ASN 101 CG -0.0171 0.0019 0.0053 817 ASN 101 OD1 -0.0177 0.0015 0.0020 818 ASN 101 ND2 -0.0193 0.0023 0.0069 819 ASN 101 H -0.0095 0.0011 0.0016 820 ASN 101 HA -0.0093 0.0020 0.0085 821 ASN 101 HB3 -0.0120 0.0022 0.0090 822 ASN 101 HB2 -0.0152 0.0025 0.0104 823 ASN 101 HD22 -0.0217 0.0022 0.0054 824 ASN 101 HD21 -0.0187 0.0026 0.0096 825 ALA 102 N -0.0178 0.0016 0.0073 826 ALA 102 CA -0.0208 0.0017 0.0054 827 ALA 102 C -0.0242 0.0014 0.0008 828 ALA 102 O -0.0247 0.0011 -0.0025 829 ALA 102 CB -0.0240 0.0025 0.0098 830 ALA 102 H -0.0183 0.0021 0.0109 831 ALA 102 HA -0.0182 0.0013 0.0043 832 ALA 102 HB1 -0.0263 0.0026 0.0085 833 ALA 102 HB2 -0.0217 0.0027 0.0129 834 ALA 102 HB3 -0.0267 0.0029 0.0112 835 GLY 104 N -0.0226 -0.0007 -0.0071 836 GLY 104 CA -0.0188 -0.0020 -0.0113 837 GLY 104 C -0.0170 -0.0022 -0.0122 838 GLY 104 O -0.0147 -0.0034 -0.0162 839 GLY 104 H -0.0212 0.0003 -0.0036 840 GLY 104 HA3 -0.0205 -0.0030 -0.0149 841 GLY 104 HA2 -0.0153 -0.0017 -0.0104 842 ASN 105 N -0.0181 -0.0012 -0.0085 843 ASN 105 CA -0.0166 -0.0012 -0.0087 844 ASN 105 C -0.0113 -0.0004 -0.0057 845 ASN 105 O -0.0101 0.0005 -0.0023 846 ASN 105 CB -0.0210 -0.0005 -0.0062 847 ASN 105 CG -0.0263 -0.0013 -0.0093 848 ASN 105 OD1 -0.0295 -0.0010 -0.0082 849 ASN 105 ND2 -0.0273 -0.0024 -0.0132 850 ASN 105 H -0.0196 -0.0002 -0.0051 851 ASN 105 HA -0.0160 -0.0024 -0.0127 852 ASN 105 HB3 -0.0195 -0.0004 -0.0057 853 ASN 105 HB2 -0.0219 0.0006 -0.0024 854 ASN 105 HD22 -0.0309 -0.0029 -0.0149 855 ASN 105 HD21 -0.0249 -0.0026 -0.0139 856 VAL 106 N -0.0074 -0.0008 -0.0054 857 VAL 106 CA -0.0047 -0.0001 -0.0039 858 VAL 106 C -0.0053 0.0012 -0.0015 859 VAL 106 O -0.0059 0.0010 -0.0018 860 VAL 106 CB -0.0023 -0.0009 -0.0056 861 VAL 106 CG1 0.0006 -0.0002 -0.0041 862 VAL 106 CG2 -0.0017 -0.0022 -0.0081 863 VAL 106 H -0.0079 -0.0015 -0.0066 864 VAL 106 HA -0.0039 0.0002 -0.0034 865 VAL 106 HB -0.0032 -0.0012 -0.0061 866 VAL 106 HG11 0.0022 -0.0008 -0.0054 867 VAL 106 HG12 0.0003 0.0007 -0.0025 868 VAL 106 HG13 0.0014 0.0003 -0.0033 869 VAL 106 HG21 -0.0002 -0.0029 -0.0093 870 VAL 106 HG22 -0.0006 -0.0020 -0.0077 871 VAL 106 HG23 -0.0036 -0.0028 -0.0092 872 ASP 107 N -0.0051 0.0024 0.0007 873 ASP 107 CA -0.0050 0.0036 0.0032 874 ASP 107 C -0.0018 0.0038 0.0036 875 ASP 107 O 0.0002 0.0037 0.0032 876 ASP 107 CB -0.0058 0.0048 0.0055 877 ASP 107 CG -0.0058 0.0062 0.0082 878 ASP 107 OD1 -0.0059 0.0063 0.0083 879 ASP 107 OD2 -0.0058 0.0072 0.0101 880 ASP 107 H -0.0044 0.0024 0.0008 881 ASP 107 HA -0.0064 0.0036 0.0031 882 ASP 107 HB3 -0.0045 0.0049 0.0056 883 ASP 107 HB2 -0.0081 0.0047 0.0052 884 TYR 108 N -0.0023 0.0043 0.0036 885 TYR 108 CA 0.0000 0.0039 0.0046 886 TYR 108 C 0.0009 0.0048 0.0074 887 TYR 108 O 0.0030 0.0045 0.0083 888 TYR 108 CB -0.0004 0.0038 0.0041 889 TYR 108 CG -0.0024 0.0051 0.0055 890 TYR 108 CD1 -0.0050 0.0055 0.0043 891 TYR 108 CD2 -0.0017 0.0059 0.0079 892 TYR 108 CE1 -0.0068 0.0066 0.0056 893 TYR 108 CE2 -0.0035 0.0071 0.0092 894 TYR 108 CZ -0.0061 0.0074 0.0080 895 TYR 108 OH -0.0079 0.0086 0.0093 896 TYR 108 H -0.0040 0.0051 0.0042 897 TYR 108 HA 0.0016 0.0029 0.0036 898 TYR 108 HB3 -0.0009 0.0031 0.0021 899 TYR 108 HB2 0.0014 0.0034 0.0046 900 TYR 108 HD1 -0.0056 0.0049 0.0025 901 TYR 108 HD2 0.0003 0.0056 0.0088 902 TYR 108 HE1 -0.0088 0.0069 0.0048 903 TYR 108 HE2 -0.0030 0.0077 0.0110 904 TYR 108 HH -0.0075 0.0092 0.0111 905 HIS 109 N -0.0007 0.0059 0.0087 906 HIS 109 CA -0.0000 0.0068 0.0113 907 HIS 109 C 0.0019 0.0062 0.0115 908 HIS 109 O 0.0033 0.0066 0.0134 909 HIS 109 CB -0.0024 0.0081 0.0125 910 HIS 109 CG -0.0044 0.0087 0.0124 911 HIS 109 ND1 -0.0065 0.0087 0.0106 912 HIS 109 CD2 -0.0046 0.0094 0.0139 913 HIS 109 CE1 -0.0078 0.0093 0.0110 914 HIS 109 NE2 -0.0068 0.0098 0.0130 915 HIS 109 H -0.0025 0.0061 0.0078 916 HIS 109 HA 0.0010 0.0069 0.0123 917 HIS 109 HB3 -0.0019 0.0088 0.0144 918 HIS 109 HB2 -0.0034 0.0080 0.0116 919 HIS 109 HD1 -0.0068 0.0082 0.0092 920 HIS 109 HD2 -0.0033 0.0097 0.0154 921 HIS 109 HE1 -0.0096 0.0094 0.0099 922 MET 110 N 0.0020 0.0047 0.0082 923 MET 110 CA 0.0038 0.0044 0.0081 924 MET 110 C 0.0053 0.0041 0.0068 925 MET 110 O 0.0048 0.0042 0.0056 926 MET 110 CB 0.0034 0.0045 0.0074 927 MET 110 CG 0.0021 0.0047 0.0089 928 MET 110 SD 0.0032 0.0047 0.0114 929 MET 110 CE 0.0049 0.0044 0.0107 930 MET 110 H 0.0011 0.0048 0.0069 931 MET 110 HA 0.0045 0.0044 0.0096 932 MET 110 HB3 0.0048 0.0042 0.0073 933 MET 110 HB2 0.0028 0.0045 0.0059 934 MET 110 HG3 0.0017 0.0048 0.0082 935 MET 110 HG2 0.0007 0.0050 0.0091 936 MET 110 HE1 0.0056 0.0043 0.0121 937 MET 110 HE2 0.0040 0.0045 0.0100 938 MET 110 HE3 0.0060 0.0041 0.0097 939 ASN 111 N 0.0072 0.0038 0.0069 940 ASN 111 CA 0.0088 0.0035 0.0057 941 ASN 111 C 0.0100 0.0033 0.0046 942 ASN 111 O 0.0108 0.0032 0.0056 943 ASN 111 CB 0.0103 0.0033 0.0070 944 ASN 111 CG 0.0095 0.0035 0.0081 945 ASN 111 OD1 0.0106 0.0034 0.0093 946 ASN 111 ND2 0.0077 0.0038 0.0076 947 ASN 111 H 0.0077 0.0038 0.0079 948 ASN 111 HA 0.0082 0.0036 0.0046 949 ASN 111 HB3 0.0115 0.0031 0.0061 950 ASN 111 HB2 0.0109 0.0033 0.0082 951 ASN 111 HD22 0.0072 0.0039 0.0083 952 ASN 111 HD21 0.0068 0.0039 0.0066 953 SER 112 N 0.0104 0.0025 0.0018 954 SER 112 CA 0.0112 0.0021 0.0011 955 SER 112 C 0.0127 0.0020 0.0014 956 SER 112 O 0.0131 0.0018 0.0011 957 SER 112 CB 0.0108 0.0016 -0.0004 958 SER 112 OG 0.0096 0.0017 -0.0008 959 SER 112 H 0.0102 0.0024 0.0014 960 SER 112 HA 0.0109 0.0023 0.0013 961 SER 112 HB3 0.0116 0.0013 -0.0009 962 SER 112 HB2 0.0108 0.0016 -0.0006 963 SER 112 HG 0.0089 0.0019 -0.0007 964 VAL 113 N 0.0134 0.0020 0.0020 965 VAL 113 CA 0.0149 0.0019 0.0022 966 VAL 113 C 0.0156 0.0015 0.0015 967 VAL 113 O 0.0151 0.0016 0.0015 968 VAL 113 CB 0.0152 0.0024 0.0037 969 VAL 113 CG1 0.0148 0.0027 0.0044 970 VAL 113 CG2 0.0148 0.0027 0.0044 971 VAL 113 H 0.0130 0.0022 0.0022 972 VAL 113 HA 0.0152 0.0017 0.0019 973 VAL 113 HB 0.0163 0.0022 0.0038 974 VAL 113 HG11 0.0151 0.0030 0.0054 975 VAL 113 HG12 0.0152 0.0025 0.0040 976 VAL 113 HG13 0.0137 0.0029 0.0043 977 VAL 113 HG21 0.0150 0.0030 0.0054 978 VAL 113 HG22 0.0137 0.0028 0.0042 979 VAL 113 HG23 0.0153 0.0025 0.0040 980 PRO 114 N 0.0145 0.0006 -0.0001 981 PRO 114 CA 0.0148 0.0005 -0.0002 982 PRO 114 C 0.0149 0.0006 0.0001 983 PRO 114 O 0.0150 0.0006 0.0002 984 PRO 114 CB 0.0149 0.0005 -0.0004 985 PRO 114 CG 0.0149 0.0005 -0.0003 986 PRO 114 CD 0.0146 0.0006 -0.0002 987 PRO 114 HA 0.0147 0.0005 -0.0003 988 PRO 114 HB3 0.0148 0.0005 -0.0006 989 PRO 114 HB2 0.0152 0.0005 -0.0004 990 PRO 114 HG3 0.0149 0.0005 -0.0005 991 PRO 114 HG2 0.0150 0.0005 -0.0001 992 PRO 114 HD2 0.0146 0.0006 0.0000 993 PRO 114 HD3 0.0144 0.0005 -0.0003 994 ILE 115 N 0.0150 0.0006 0.0001 995 ILE 115 CA 0.0152 0.0006 0.0002 996 ILE 115 C 0.0155 0.0005 0.0001 997 ILE 115 O 0.0156 0.0005 -0.0001 998 ILE 115 CB 0.0151 0.0006 0.0003 999 ILE 115 CG1 0.0148 0.0006 0.0004 1000 ILE 115 CG2 0.0154 0.0006 0.0005 1001 ILE 115 CD1 0.0148 0.0006 0.0004 1002 ILE 115 H 0.0149 0.0005 -0.0001 1003 ILE 115 HA 0.0152 0.0006 0.0005 1004 ILE 115 HB 0.0152 0.0006 0.0001 1005 ILE 115 HG13 0.0147 0.0006 0.0002 1006 ILE 115 HG12 0.0148 0.0006 0.0006 1007 ILE 115 HG21 0.0153 0.0006 0.0005 1008 ILE 115 HG22 0.0156 0.0006 0.0004 1009 ILE 115 HG23 0.0153 0.0006 0.0007 1010 ILE 115 HD11 0.0146 0.0006 0.0003 1011 ILE 115 HD12 0.0149 0.0006 0.0003 1012 ILE 115 HD13 0.0147 0.0006 0.0006 1013 GLN 116 N 0.0122 -0.0012 -0.0033 1014 GLN 116 CA 0.0110 -0.0013 -0.0028 1015 GLN 116 C 0.0101 -0.0016 -0.0036 1016 GLN 116 O 0.0103 -0.0018 -0.0047 1017 GLN 116 CB 0.0106 -0.0013 -0.0028 1018 GLN 116 CG 0.0116 -0.0011 -0.0022 1019 GLN 116 CD 0.0110 -0.0009 -0.0014 1020 GLN 116 OE1 0.0101 -0.0011 -0.0016 1021 GLN 116 NE2 0.0116 -0.0006 -0.0004 1022 GLN 116 H 0.0124 -0.0014 -0.0041 1023 GLN 116 HA 0.0109 -0.0011 -0.0019 1024 GLN 116 HB3 0.0097 -0.0013 -0.0024 1025 GLN 116 HB2 0.0105 -0.0016 -0.0037 1026 GLN 116 HG3 0.0122 -0.0011 -0.0029 1027 GLN 116 HG2 0.0122 -0.0008 -0.0016 1028 GLN 116 HE22 0.0113 -0.0005 0.0002 1029 GLN 116 HE21 0.0124 -0.0004 -0.0001 1030 GLN 117 N 0.0092 -0.0016 -0.0030 1031 GLN 117 CA 0.0083 -0.0018 -0.0036 1032 GLN 117 C 0.0070 -0.0019 -0.0032 1033 GLN 117 O 0.0068 -0.0016 -0.0021 1034 GLN 117 CB 0.0086 -0.0017 -0.0033 1035 GLN 117 CG 0.0098 -0.0017 -0.0038 1036 GLN 117 CD 0.0098 -0.0020 -0.0052 1037 GLN 117 OE1 0.0088 -0.0023 -0.0058 1038 GLN 117 NE2 0.0109 -0.0020 -0.0058 1039 GLN 117 H 0.0091 -0.0013 -0.0021 1040 GLN 117 HA 0.0084 -0.0020 -0.0046 1041 GLN 117 HB3 0.0078 -0.0019 -0.0036 1042 GLN 117 HB2 0.0086 -0.0015 -0.0023 1043 GLN 117 HG3 0.0099 -0.0016 -0.0035 1044 GLN 117 HG2 0.0106 -0.0015 -0.0036 1045 GLN 117 HE22 0.0108 -0.0023 -0.0067 1046 GLN 117 HE21 0.0117 -0.0018 -0.0054 1047 GLU 118 N -0.0004 -0.0077 -0.0079 1048 GLU 118 CA -0.0020 -0.0076 -0.0077 1049 GLU 118 C -0.0015 -0.0069 -0.0072 1050 GLU 118 O -0.0006 -0.0075 -0.0077 1051 GLU 118 CB -0.0028 -0.0090 -0.0089 1052 GLU 118 CG -0.0040 -0.0095 -0.0093 1053 GLU 118 CD -0.0050 -0.0107 -0.0104 1054 GLU 118 OE1 -0.0045 -0.0114 -0.0110 1055 GLU 118 OE2 -0.0065 -0.0109 -0.0104 1056 GLU 118 H 0.0002 -0.0085 -0.0088 1057 GLU 118 HA -0.0029 -0.0070 -0.0071 1058 GLU 118 HB3 -0.0035 -0.0090 -0.0089 1059 GLU 118 HB2 -0.0018 -0.0096 -0.0096 1060 GLU 118 HG3 -0.0033 -0.0096 -0.0095 1061 GLU 118 HG2 -0.0050 -0.0088 -0.0086 1062 ILE 119 N -0.0022 -0.0058 -0.0061 1063 ILE 119 CA -0.0020 -0.0050 -0.0054 1064 ILE 119 C -0.0038 -0.0048 -0.0050 1065 ILE 119 O -0.0050 -0.0047 -0.0048 1066 ILE 119 CB -0.0010 -0.0037 -0.0042 1067 ILE 119 CG1 0.0009 -0.0038 -0.0045 1068 ILE 119 CG2 -0.0012 -0.0026 -0.0032 1069 ILE 119 CD1 0.0021 -0.0043 -0.0050 1070 ILE 119 H -0.0030 -0.0055 -0.0057 1071 ILE 119 HA -0.0012 -0.0055 -0.0059 1072 ILE 119 HB -0.0016 -0.0034 -0.0039 1073 ILE 119 HG13 0.0015 -0.0029 -0.0037 1074 ILE 119 HG12 0.0010 -0.0045 -0.0051 1075 ILE 119 HG21 -0.0004 -0.0017 -0.0025 1076 ILE 119 HG22 -0.0025 -0.0023 -0.0028 1077 ILE 119 HG23 -0.0008 -0.0029 -0.0035 1078 ILE 119 HD11 0.0035 -0.0040 -0.0049 1079 ILE 119 HD12 0.0017 -0.0039 -0.0046 1080 ILE 119 HD13 0.0020 -0.0054 -0.0060 1081 LEU 120 N -0.0067 -0.0061 -0.0059 1082 LEU 120 CA -0.0069 -0.0054 -0.0061 1083 LEU 120 C -0.0067 -0.0042 -0.0061 1084 LEU 120 O -0.0059 -0.0039 -0.0059 1085 LEU 120 CB -0.0061 -0.0058 -0.0058 1086 LEU 120 CG -0.0063 -0.0070 -0.0057 1087 LEU 120 CD1 -0.0054 -0.0073 -0.0055 1088 LEU 120 CD2 -0.0074 -0.0071 -0.0060 1089 LEU 120 H -0.0059 -0.0061 -0.0057 1090 LEU 120 HA -0.0078 -0.0056 -0.0063 1091 LEU 120 HB3 -0.0062 -0.0052 -0.0059 1092 LEU 120 HB2 -0.0053 -0.0057 -0.0056 1093 LEU 120 HG -0.0063 -0.0076 -0.0057 1094 LEU 120 HD11 -0.0054 -0.0082 -0.0054 1095 LEU 120 HD12 -0.0046 -0.0072 -0.0052 1096 LEU 120 HD13 -0.0054 -0.0068 -0.0055 1097 LEU 120 HD21 -0.0074 -0.0079 -0.0060 1098 LEU 120 HD22 -0.0076 -0.0064 -0.0061 1099 LEU 120 HD23 -0.0081 -0.0072 -0.0062 1100 VAL 121 N -0.0074 -0.0034 -0.0064 1101 VAL 121 CA -0.0073 -0.0022 -0.0065 1102 VAL 121 C -0.0074 -0.0018 -0.0065 1103 VAL 121 O -0.0080 -0.0023 -0.0066 1104 VAL 121 CB -0.0081 -0.0017 -0.0067 1105 VAL 121 CG1 -0.0079 -0.0020 -0.0066 1106 VAL 121 CG2 -0.0093 -0.0019 -0.0070 1107 VAL 121 H -0.0080 -0.0037 -0.0065 1108 VAL 121 HA -0.0064 -0.0020 -0.0063 1109 VAL 121 HB -0.0079 -0.0008 -0.0068 1110 VAL 121 HG11 -0.0084 -0.0016 -0.0068 1111 VAL 121 HG12 -0.0070 -0.0018 -0.0064 1112 VAL 121 HG13 -0.0080 -0.0029 -0.0066 1113 VAL 121 HG21 -0.0099 -0.0016 -0.0072 1114 VAL 121 HG22 -0.0095 -0.0028 -0.0070 1115 VAL 121 HG23 -0.0095 -0.0015 -0.0071 1116 LEU 122 N -0.0092 -0.0015 -0.0096 1117 LEU 122 CA -0.0091 -0.0016 -0.0096 1118 LEU 122 C -0.0104 -0.0005 -0.0096 1119 LEU 122 O -0.0104 0.0008 -0.0101 1120 LEU 122 CB -0.0076 -0.0011 -0.0103 1121 LEU 122 CG -0.0061 -0.0021 -0.0104 1122 LEU 122 CD1 -0.0047 -0.0015 -0.0112 1123 LEU 122 CD2 -0.0061 -0.0037 -0.0098 1124 LEU 122 H -0.0088 -0.0006 -0.0101 1125 LEU 122 HA -0.0092 -0.0027 -0.0091 1126 LEU 122 HB3 -0.0076 -0.0010 -0.0104 1127 LEU 122 HB2 -0.0075 -0.0000 -0.0108 1128 LEU 122 HG -0.0061 -0.0022 -0.0104 1129 LEU 122 HD11 -0.0038 -0.0017 -0.0114 1130 LEU 122 HD12 -0.0049 -0.0003 -0.0116 1131 LEU 122 HD13 -0.0042 -0.0020 -0.0112 1132 LEU 122 HD21 -0.0051 -0.0044 -0.0099 1133 LEU 122 HD22 -0.0062 -0.0037 -0.0098 1134 LEU 122 HD23 -0.0071 -0.0043 -0.0093 1135 ARG 123 N -0.0113 -0.0011 -0.0090 1136 ARG 123 CA -0.0124 -0.0001 -0.0090 1137 ARG 123 C -0.0118 -0.0002 -0.0092 1138 ARG 123 O -0.0112 -0.0014 -0.0090 1139 ARG 123 CB -0.0140 -0.0006 -0.0083 1140 ARG 123 CG -0.0151 0.0004 -0.0083 1141 ARG 123 CD -0.0168 0.0004 -0.0077 1142 ARG 123 NE -0.0171 0.0008 -0.0077 1143 ARG 123 CZ -0.0172 0.0021 -0.0082 1144 ARG 123 NH1 -0.0170 0.0034 -0.0088 1145 ARG 123 NH2 -0.0173 0.0020 -0.0082 1146 ARG 123 H -0.0112 -0.0022 -0.0087 1147 ARG 123 HA -0.0125 0.0010 -0.0094 1148 ARG 123 HB3 -0.0140 -0.0018 -0.0078 1149 ARG 123 HB2 -0.0143 -0.0007 -0.0082 1150 ARG 123 HG3 -0.0149 0.0015 -0.0088 1151 ARG 123 HG2 -0.0150 0.0001 -0.0082 1152 ARG 123 HD3 -0.0175 0.0011 -0.0077 1153 ARG 123 HD2 -0.0171 -0.0007 -0.0071 1154 ARG 123 HH22 -0.0174 0.0031 -0.0085 1155 ARG 123 HH21 -0.0173 0.0011 -0.0078 1156 ARG 123 HH12 -0.0171 0.0043 -0.0091 1157 ARG 123 HH11 -0.0169 0.0034 -0.0088 1158 ARG 123 HE -0.0172 -0.0002 -0.0073 1159 ARG 124 N -0.0115 0.0030 -0.0115 1160 ARG 124 CA -0.0108 0.0023 -0.0118 1161 ARG 124 C -0.0112 0.0011 -0.0103 1162 ARG 124 O -0.0124 0.0015 -0.0094 1163 ARG 124 CB -0.0110 0.0036 -0.0126 1164 ARG 124 CG -0.0106 0.0048 -0.0140 1165 ARG 124 CD -0.0108 0.0061 -0.0148 1166 ARG 124 NE -0.0106 0.0074 -0.0161 1167 ARG 124 CZ -0.0095 0.0075 -0.0174 1168 ARG 124 NH1 -0.0082 0.0063 -0.0177 1169 ARG 124 NH2 -0.0096 0.0088 -0.0183 1170 ARG 124 H -0.0122 0.0041 -0.0117 1171 ARG 124 HA -0.0097 0.0017 -0.0124 1172 ARG 124 HB3 -0.0105 0.0031 -0.0127 1173 ARG 124 HB2 -0.0121 0.0042 -0.0119 1174 ARG 124 HG3 -0.0110 0.0053 -0.0140 1175 ARG 124 HG2 -0.0094 0.0041 -0.0147 1176 ARG 124 HD3 -0.0101 0.0057 -0.0153 1177 ARG 124 HD2 -0.0118 0.0066 -0.0141 1178 ARG 124 HH22 -0.0088 0.0090 -0.0194 1179 ARG 124 HH21 -0.0105 0.0097 -0.0180 1180 ARG 124 HH12 -0.0073 0.0063 -0.0187 1181 ARG 124 HH11 -0.0081 0.0053 -0.0170 1182 ARG 124 HE -0.0115 0.0084 -0.0159 1183 GLU 125 N -0.0102 -0.0003 -0.0103 1184 GLU 125 CA -0.0104 -0.0015 -0.0091 1185 GLU 125 C -0.0092 -0.0024 -0.0096 1186 GLU 125 O -0.0080 -0.0032 -0.0103 1187 GLU 125 CB -0.0105 -0.0027 -0.0080 1188 GLU 125 CG -0.0107 -0.0040 -0.0067 1189 GLU 125 CD -0.0111 -0.0050 -0.0056 1190 GLU 125 OE1 -0.0120 -0.0043 -0.0051 1191 GLU 125 OE2 -0.0104 -0.0064 -0.0051 1192 GLU 125 H -0.0092 -0.0005 -0.0112 1193 GLU 125 HA -0.0114 -0.0010 -0.0084 1194 GLU 125 HB3 -0.0096 -0.0032 -0.0086 1195 GLU 125 HB2 -0.0114 -0.0020 -0.0077 1196 GLU 125 HG3 -0.0116 -0.0035 -0.0062 1197 GLU 125 HG2 -0.0099 -0.0048 -0.0070 1198 PRO 126 N -0.0097 -0.0032 -0.0090 1199 PRO 126 CA -0.0123 -0.0017 -0.0085 1200 PRO 126 C -0.0131 0.0011 -0.0098 1201 PRO 126 O -0.0114 0.0019 -0.0114 1202 PRO 126 CB -0.0120 -0.0018 -0.0086 1203 PRO 126 CG -0.0091 -0.0023 -0.0101 1204 PRO 126 CD -0.0078 -0.0040 -0.0097 1205 PRO 126 HA -0.0138 -0.0026 -0.0069 1206 PRO 126 HB3 -0.0126 -0.0034 -0.0071 1207 PRO 126 HB2 -0.0132 -0.0001 -0.0090 1208 PRO 126 HG3 -0.0084 -0.0031 -0.0099 1209 PRO 126 HG2 -0.0086 -0.0005 -0.0116 1210 PRO 126 HD2 -0.0059 -0.0038 -0.0111 1211 PRO 126 HD3 -0.0075 -0.0060 -0.0085 1212 PRO 127 N -0.0156 0.0026 -0.0092 1213 PRO 127 CA -0.0166 0.0053 -0.0105 1214 PRO 127 C -0.0149 0.0069 -0.0126 1215 PRO 127 O -0.0140 0.0064 -0.0128 1216 PRO 127 CB -0.0194 0.0062 -0.0093 1217 PRO 127 CG -0.0203 0.0037 -0.0071 1218 PRO 127 CD -0.0178 0.0017 -0.0073 1219 PRO 127 HA -0.0166 0.0054 -0.0105 1220 PRO 127 HB3 -0.0207 0.0077 -0.0095 1221 PRO 127 HB2 -0.0195 0.0069 -0.0097 1222 PRO 127 HG3 -0.0208 0.0034 -0.0065 1223 PRO 127 HG2 -0.0220 0.0039 -0.0061 1224 PRO 127 HD2 -0.0176 0.0016 -0.0073 1225 PRO 127 HD3 -0.0178 -0.0002 -0.0060 1226 HIS 128 N -0.0147 0.0079 -0.0126 1227 HIS 128 CA -0.0132 0.0096 -0.0151 1228 HIS 128 C -0.0101 0.0079 -0.0164 1229 HIS 128 O -0.0087 0.0092 -0.0185 1230 HIS 128 CB -0.0142 0.0111 -0.0153 1231 HIS 128 CG -0.0171 0.0125 -0.0138 1232 HIS 128 ND1 -0.0188 0.0139 -0.0135 1233 HIS 128 CD2 -0.0188 0.0125 -0.0125 1234 HIS 128 CE1 -0.0213 0.0148 -0.0120 1235 HIS 128 NE2 -0.0214 0.0140 -0.0114 1236 HIS 128 H -0.0158 0.0086 -0.0123 1237 HIS 128 HA -0.0135 0.0112 -0.0159 1238 HIS 128 HB3 -0.0133 0.0127 -0.0171 1239 HIS 128 HB2 -0.0134 0.0097 -0.0149 1240 HIS 128 HD1 -0.0183 0.0142 -0.0141 1241 HIS 128 HD2 -0.0183 0.0116 -0.0123 1242 HIS 128 HE1 -0.0229 0.0159 -0.0114 1243 SER 129 N -0.0092 0.0052 -0.0153 1244 SER 129 CA -0.0064 0.0035 -0.0165 1245 SER 129 C -0.0049 0.0047 -0.0185 1246 SER 129 O -0.0057 0.0051 -0.0181 1247 SER 129 CB -0.0060 0.0004 -0.0147 1248 SER 129 OG -0.0032 -0.0012 -0.0158 1249 SER 129 H -0.0105 0.0043 -0.0136 1250 SER 129 HA -0.0057 0.0035 -0.0170 1251 SER 129 HB3 -0.0069 0.0003 -0.0138 1252 SER 129 HB2 -0.0069 -0.0005 -0.0133 1253 SER 129 HG -0.0030 -0.0031 -0.0147 1254 PRO 130 N -0.0027 0.0015 -0.0245 1255 PRO 130 CA -0.0031 0.0020 -0.0257 1256 PRO 130 C -0.0022 0.0011 -0.0239 1257 PRO 130 O -0.0031 0.0016 -0.0243 1258 PRO 130 CB -0.0015 0.0021 -0.0285 1259 PRO 130 CG 0.0008 0.0012 -0.0281 1260 PRO 130 CD -0.0005 0.0011 -0.0260 1261 PRO 130 HA -0.0052 0.0028 -0.0260 1262 PRO 130 HB3 -0.0028 0.0030 -0.0300 1263 PRO 130 HB2 -0.0008 0.0021 -0.0294 1264 PRO 130 HG3 0.0017 0.0013 -0.0300 1265 PRO 130 HG2 0.0024 0.0003 -0.0271 1266 PRO 130 HD2 0.0010 0.0002 -0.0246 1267 PRO 130 HD3 -0.0014 0.0017 -0.0271 1268 ASN 131 N -0.0004 -0.0000 -0.0220 1269 ASN 131 CA 0.0013 -0.0009 -0.0209 1270 ASN 131 C 0.0015 -0.0018 -0.0177 1271 ASN 131 O 0.0029 -0.0026 -0.0166 1272 ASN 131 CB 0.0041 -0.0015 -0.0225 1273 ASN 131 CG 0.0061 -0.0024 -0.0221 1274 ASN 131 OD1 0.0054 -0.0024 -0.0210 1275 ASN 131 ND2 0.0086 -0.0031 -0.0230 1276 ASN 131 H 0.0002 -0.0003 -0.0217 1277 ASN 131 HA 0.0003 -0.0005 -0.0210 1278 ASN 131 HB3 0.0039 -0.0008 -0.0247 1279 ASN 131 HB2 0.0050 -0.0020 -0.0220 1280 ASN 131 HD22 0.0100 -0.0036 -0.0227 1281 ASN 131 HD21 0.0093 -0.0031 -0.0239 1282 SER 132 N -0.0015 -0.0017 -0.0153 1283 SER 132 CA -0.0016 -0.0025 -0.0136 1284 SER 132 C -0.0035 -0.0022 -0.0128 1285 SER 132 O -0.0045 -0.0015 -0.0132 1286 SER 132 CB -0.0007 -0.0031 -0.0132 1287 SER 132 OG -0.0014 -0.0026 -0.0135 1288 SER 132 H -0.0023 -0.0011 -0.0158 1289 SER 132 HA -0.0010 -0.0030 -0.0131 1290 SER 132 HB3 0.0006 -0.0033 -0.0138 1291 SER 132 HB2 -0.0006 -0.0038 -0.0119 1292 SER 132 HG -0.0024 -0.0027 -0.0127 1293 PHE 133 N -0.0039 -0.0026 -0.0116 1294 PHE 133 CA -0.0056 -0.0023 -0.0109 1295 PHE 133 C -0.0058 -0.0032 -0.0090 1296 PHE 133 O -0.0045 -0.0041 -0.0084 1297 PHE 133 CB -0.0061 -0.0018 -0.0115 1298 PHE 133 CG -0.0061 -0.0009 -0.0133 1299 PHE 133 CD1 -0.0046 -0.0009 -0.0144 1300 PHE 133 CD2 -0.0076 0.0001 -0.0139 1301 PHE 133 CE1 -0.0046 -0.0001 -0.0160 1302 PHE 133 CE2 -0.0076 0.0009 -0.0156 1303 PHE 133 CZ -0.0061 0.0008 -0.0166 1304 PHE 133 H -0.0030 -0.0031 -0.0113 1305 PHE 133 HA -0.0065 -0.0018 -0.0111 1306 PHE 133 HB3 -0.0074 -0.0016 -0.0108 1307 PHE 133 HB2 -0.0053 -0.0023 -0.0111 1308 PHE 133 HD1 -0.0034 -0.0016 -0.0139 1309 PHE 133 HD2 -0.0088 0.0001 -0.0131 1310 PHE 133 HE1 -0.0035 -0.0001 -0.0169 1311 PHE 133 HE2 -0.0088 0.0016 -0.0160 1312 PHE 133 HZ -0.0061 0.0015 -0.0179 1313 ARG 134 N -0.0082 -0.0014 -0.0086 1314 ARG 134 CA -0.0085 -0.0024 -0.0078 1315 ARG 134 C -0.0088 -0.0029 -0.0076 1316 ARG 134 O -0.0094 -0.0024 -0.0081 1317 ARG 134 CB -0.0095 -0.0027 -0.0079 1318 ARG 134 CG -0.0098 -0.0039 -0.0072 1319 ARG 134 CD -0.0109 -0.0042 -0.0072 1320 ARG 134 NE -0.0107 -0.0038 -0.0074 1321 ARG 134 CZ -0.0106 -0.0043 -0.0070 1322 ARG 134 NH1 -0.0105 -0.0053 -0.0063 1323 ARG 134 NH2 -0.0105 -0.0038 -0.0074 1324 ARG 134 H -0.0088 -0.0010 -0.0090 1325 ARG 134 HA -0.0077 -0.0028 -0.0074 1326 ARG 134 HB3 -0.0103 -0.0024 -0.0083 1327 ARG 134 HB2 -0.0092 -0.0023 -0.0081 1328 ARG 134 HG3 -0.0090 -0.0040 -0.0068 1329 ARG 134 HG2 -0.0098 -0.0043 -0.0068 1330 ARG 134 HD3 -0.0113 -0.0050 -0.0067 1331 ARG 134 HD2 -0.0116 -0.0038 -0.0077 1332 ARG 134 HH22 -0.0108 -0.0041 -0.0072 1333 ARG 134 HH21 -0.0104 -0.0030 -0.0079 1334 ARG 134 HH12 -0.0105 -0.0057 -0.0060 1335 ARG 134 HH11 -0.0105 -0.0056 -0.0061 1336 ARG 134 HE -0.0108 -0.0030 -0.0080 1337 LEU 135 N -0.0085 -0.0038 -0.0069 1338 LEU 135 CA -0.0091 -0.0045 -0.0065 1339 LEU 135 C -0.0105 -0.0048 -0.0067 1340 LEU 135 O -0.0109 -0.0051 -0.0065 1341 LEU 135 CB -0.0085 -0.0054 -0.0057 1342 LEU 135 CG -0.0073 -0.0054 -0.0054 1343 LEU 135 CD1 -0.0068 -0.0064 -0.0046 1344 LEU 135 CD2 -0.0073 -0.0050 -0.0057 1345 LEU 135 H -0.0080 -0.0041 -0.0065 1346 LEU 135 HA -0.0090 -0.0040 -0.0068 1347 LEU 135 HB3 -0.0091 -0.0060 -0.0054 1348 LEU 135 HB2 -0.0085 -0.0058 -0.0054 1349 LEU 135 HG -0.0067 -0.0048 -0.0057 1350 LEU 135 HD11 -0.0059 -0.0063 -0.0044 1351 LEU 135 HD12 -0.0068 -0.0067 -0.0044 1352 LEU 135 HD13 -0.0074 -0.0070 -0.0043 1353 LEU 135 HD21 -0.0064 -0.0048 -0.0056 1354 LEU 135 HD22 -0.0078 -0.0056 -0.0054 1355 LEU 135 HD23 -0.0078 -0.0044 -0.0063 1356 GLU 136 N -0.0113 -0.0043 -0.0063 1357 GLU 136 CA -0.0125 -0.0045 -0.0063 1358 GLU 136 C -0.0114 -0.0052 -0.0065 1359 GLU 136 O -0.0099 -0.0046 -0.0064 1360 GLU 136 CB -0.0135 -0.0028 -0.0060 1361 GLU 136 CG -0.0146 -0.0028 -0.0060 1362 GLU 136 CD -0.0158 -0.0011 -0.0056 1363 GLU 136 OE1 -0.0155 -0.0000 -0.0054 1364 GLU 136 OE2 -0.0170 -0.0010 -0.0056 1365 GLU 136 H -0.0102 -0.0036 -0.0062 1366 GLU 136 HA -0.0135 -0.0055 -0.0065 1367 GLU 136 HB3 -0.0125 -0.0017 -0.0058 1368 GLU 136 HB2 -0.0143 -0.0025 -0.0059 1369 GLU 136 HG3 -0.0155 -0.0039 -0.0062 1370 GLU 136 HG2 -0.0139 -0.0029 -0.0060 1371 LYS 137 N -0.0122 -0.0064 -0.0067 1372 LYS 137 CA -0.0113 -0.0071 -0.0069 1373 LYS 137 C -0.0122 -0.0063 -0.0067 1374 LYS 137 O -0.0138 -0.0064 -0.0067 1375 LYS 137 CB -0.0114 -0.0091 -0.0072 1376 LYS 137 CG -0.0100 -0.0099 -0.0074 1377 LYS 137 CD -0.0103 -0.0118 -0.0078 1378 LYS 137 CE -0.0102 -0.0132 -0.0080 1379 LYS 137 NZ -0.0103 -0.0150 -0.0084 1380 LYS 137 H -0.0135 -0.0068 -0.0067 1381 LYS 137 HA -0.0099 -0.0067 -0.0068 1382 LYS 137 HB3 -0.0128 -0.0095 -0.0073 1383 LYS 137 HB2 -0.0112 -0.0096 -0.0073 1384 LYS 137 HG3 -0.0087 -0.0097 -0.0074 1385 LYS 137 HG2 -0.0100 -0.0091 -0.0073 1386 LYS 137 HD3 -0.0093 -0.0120 -0.0078 1387 LYS 137 HD2 -0.0116 -0.0119 -0.0078 1388 LYS 137 HE3 -0.0112 -0.0131 -0.0080 1389 LYS 137 HE2 -0.0089 -0.0132 -0.0081 1390 LYS 137 HZ1 -0.0116 -0.0151 -0.0084 1391 LYS 137 HZ2 -0.0095 -0.0150 -0.0084 1392 LYS 137 HZ3 -0.0100 -0.0160 -0.0086 1393 ILE 138 N -0.0086 -0.0052 -0.0058 1394 ILE 138 CA -0.0082 -0.0039 -0.0049 1395 ILE 138 C -0.0065 -0.0039 -0.0058 1396 ILE 138 O -0.0056 -0.0047 -0.0070 1397 ILE 138 CB -0.0079 -0.0023 -0.0038 1398 ILE 138 CG1 -0.0064 -0.0019 -0.0043 1399 ILE 138 CG2 -0.0097 -0.0022 -0.0027 1400 ILE 138 CD1 -0.0057 -0.0001 -0.0032 1401 ILE 138 H -0.0075 -0.0052 -0.0064 1402 ILE 138 HA -0.0093 -0.0041 -0.0045 1403 ILE 138 HB -0.0076 -0.0014 -0.0032 1404 ILE 138 HG13 -0.0052 -0.0022 -0.0052 1405 ILE 138 HG12 -0.0068 -0.0025 -0.0046 1406 ILE 138 HG21 -0.0096 -0.0010 -0.0018 1407 ILE 138 HG22 -0.0107 -0.0025 -0.0024 1408 ILE 138 HG23 -0.0101 -0.0030 -0.0032 1409 ILE 138 HD11 -0.0045 0.0002 -0.0036 1410 ILE 138 HD12 -0.0054 0.0006 -0.0028 1411 ILE 138 HD13 -0.0067 0.0003 -0.0024 1412 LEU 139 N -0.0061 -0.0029 -0.0053 1413 LEU 139 CA -0.0046 -0.0028 -0.0060 1414 LEU 139 C -0.0033 -0.0011 -0.0053 1415 LEU 139 O -0.0039 -0.0000 -0.0041 1416 LEU 139 CB -0.0054 -0.0032 -0.0059 1417 LEU 139 CG -0.0041 -0.0037 -0.0069 1418 LEU 139 CD1 -0.0038 -0.0052 -0.0084 1419 LEU 139 CD2 -0.0049 -0.0038 -0.0066 1420 LEU 139 H -0.0068 -0.0022 -0.0043 1421 LEU 139 HA -0.0039 -0.0036 -0.0070 1422 LEU 139 HB3 -0.0058 -0.0022 -0.0049 1423 LEU 139 HB2 -0.0066 -0.0042 -0.0060 1424 LEU 139 HG -0.0029 -0.0027 -0.0069 1425 LEU 139 HD11 -0.0039 -0.0060 -0.0090 1426 LEU 139 HD12 -0.0024 -0.0050 -0.0090 1427 LEU 139 HD13 -0.0047 -0.0059 -0.0084 1428 LEU 139 HD21 -0.0040 -0.0040 -0.0073 1429 LEU 139 HD22 -0.0062 -0.0047 -0.0066 1430 LEU 139 HD23 -0.0051 -0.0026 -0.0056 1431 VAL 140 N 0.0030 -0.0017 -0.0042 1432 VAL 140 CA 0.0043 -0.0008 -0.0031 1433 VAL 140 C 0.0063 -0.0007 -0.0039 1434 VAL 140 O 0.0068 -0.0013 -0.0054 1435 VAL 140 CB 0.0041 -0.0008 -0.0028 1436 VAL 140 CG1 0.0056 0.0001 -0.0018 1437 VAL 140 CG2 0.0021 -0.0008 -0.0019 1438 VAL 140 H 0.0030 -0.0022 -0.0054 1439 VAL 140 HA 0.0041 -0.0003 -0.0018 1440 VAL 140 HB 0.0042 -0.0013 -0.0041 1441 VAL 140 HG11 0.0053 0.0001 -0.0017 1442 VAL 140 HG12 0.0070 0.0001 -0.0025 1443 VAL 140 HG13 0.0056 0.0007 -0.0005 1444 VAL 140 HG21 0.0019 -0.0008 -0.0018 1445 VAL 140 HG22 0.0019 -0.0002 -0.0006 1446 VAL 140 HG23 0.0010 -0.0014 -0.0027 1447 SER 141 N 0.0075 0.0001 -0.0028 1448 SER 141 CA 0.0095 0.0003 -0.0033 1449 SER 141 C 0.0105 0.0007 -0.0030 1450 SER 141 O 0.0105 0.0014 -0.0015 1451 SER 141 CB 0.0102 0.0010 -0.0022 1452 SER 141 OG 0.0097 0.0006 -0.0029 1453 SER 141 H 0.0070 0.0006 -0.0015 1454 SER 141 HA 0.0097 -0.0003 -0.0046 1455 SER 141 HB3 0.0118 0.0013 -0.0023 1456 SER 141 HB2 0.0098 0.0015 -0.0008 1457 SER 141 HG 0.0083 0.0003 -0.0028 1458 VAL 142 N 0.0132 -0.0014 0.0000 1459 VAL 142 CA 0.0134 -0.0014 -0.0003 1460 VAL 142 C 0.0140 -0.0010 -0.0004 1461 VAL 142 O 0.0142 -0.0009 -0.0005 1462 VAL 142 CB 0.0133 -0.0018 -0.0008 1463 VAL 142 CG1 0.0127 -0.0022 -0.0007 1464 VAL 142 CG2 0.0134 -0.0018 -0.0013 1465 VAL 142 H 0.0132 -0.0016 -0.0003 1466 VAL 142 HA 0.0133 -0.0014 0.0000 1467 VAL 142 HB 0.0134 -0.0017 -0.0010 1468 VAL 142 HG11 0.0126 -0.0024 -0.0011 1469 VAL 142 HG12 0.0126 -0.0021 -0.0004 1470 VAL 142 HG13 0.0125 -0.0022 -0.0005 1471 VAL 142 HG21 0.0133 -0.0021 -0.0017 1472 VAL 142 HG22 0.0132 -0.0019 -0.0011 1473 VAL 142 HG23 0.0138 -0.0016 -0.0014 1474 GLY 143 N 0.0143 -0.0008 -0.0003 1475 GLY 143 CA 0.0148 -0.0004 -0.0004 1476 GLY 143 C 0.0150 -0.0003 -0.0004 1477 GLY 143 O 0.0147 -0.0005 -0.0004 1478 GLY 143 H 0.0141 -0.0009 -0.0002 1479 GLY 143 HA3 0.0150 -0.0004 -0.0008 1480 GLY 143 HA2 0.0149 -0.0002 -0.0000 1481 CYS 144 N 0.0150 0.0013 -0.0004 1482 CYS 144 CA 0.0144 0.0014 0.0001 1483 CYS 144 C 0.0136 0.0015 0.0010 1484 CYS 144 O 0.0133 0.0014 0.0009 1485 CYS 144 CB 0.0138 0.0012 -0.0007 1486 CYS 144 SG 0.0146 0.0010 -0.0017 1487 CYS 144 H 0.0145 0.0012 -0.0007 1488 CYS 144 HA 0.0149 0.0015 0.0005 1489 CYS 144 HB3 0.0133 0.0012 -0.0003 1490 CYS 144 HB2 0.0132 0.0010 -0.0011 1491 THR 145 N 0.0134 0.0016 0.0018 1492 THR 145 CA 0.0126 0.0017 0.0027 1493 THR 145 C 0.0119 0.0017 0.0029 1494 THR 145 O 0.0122 0.0017 0.0027 1495 THR 145 CB 0.0132 0.0020 0.0037 1496 THR 145 OG1 0.0125 0.0021 0.0045 1497 THR 145 CG2 0.0139 0.0022 0.0043 1498 THR 145 H 0.0136 0.0017 0.0018 1499 THR 145 HA 0.0121 0.0016 0.0025 1500 THR 145 HB 0.0138 0.0020 0.0035 1501 THR 145 HG1 0.0126 0.0021 0.0044 1502 THR 145 HG21 0.0143 0.0024 0.0049 1503 THR 145 HG22 0.0145 0.0021 0.0037 1504 THR 145 HG23 0.0133 0.0022 0.0046 1505 CYS 146 N 0.0110 0.0022 0.0046 1506 CYS 146 CA 0.0100 0.0024 0.0050 1507 CYS 146 C 0.0101 0.0028 0.0066 1508 CYS 146 O 0.0098 0.0029 0.0073 1509 CYS 146 CB 0.0085 0.0024 0.0046 1510 CYS 146 SG 0.0072 0.0027 0.0051 1511 CYS 146 H 0.0107 0.0023 0.0047 1512 CYS 146 HA 0.0102 0.0023 0.0046 1513 CYS 146 HB3 0.0083 0.0025 0.0049 1514 CYS 146 HB2 0.0085 0.0022 0.0035 1515 VAL 147 N 0.0105 0.0028 0.0071 1516 VAL 147 CA 0.0107 0.0032 0.0085 1517 VAL 147 C 0.0097 0.0033 0.0089 1518 VAL 147 O 0.0093 0.0032 0.0081 1519 VAL 147 CB 0.0121 0.0031 0.0088 1520 VAL 147 CG1 0.0132 0.0030 0.0086 1521 VAL 147 CG2 0.0126 0.0029 0.0081 1522 VAL 147 H 0.0106 0.0027 0.0064 1523 VAL 147 HA 0.0104 0.0033 0.0091 1524 VAL 147 HB 0.0122 0.0034 0.0099 1525 VAL 147 HG11 0.0142 0.0030 0.0089 1526 VAL 147 HG12 0.0130 0.0032 0.0093 1527 VAL 147 HG13 0.0132 0.0028 0.0076 1528 VAL 147 HG21 0.0136 0.0029 0.0083 1529 VAL 147 HG22 0.0125 0.0027 0.0070 1530 VAL 147 HG23 0.0120 0.0030 0.0084 1531 THR 148 N 0.0097 0.0043 0.0114 1532 THR 148 CA 0.0083 0.0046 0.0127 1533 THR 148 C 0.0087 0.0041 0.0135 1534 THR 148 O 0.0100 0.0032 0.0138 1535 THR 148 CB 0.0082 0.0042 0.0141 1536 THR 148 OG1 0.0095 0.0032 0.0148 1537 THR 148 CG2 0.0078 0.0047 0.0134 1538 THR 148 H 0.0104 0.0037 0.0118 1539 THR 148 HA 0.0073 0.0054 0.0121 1540 THR 148 HB 0.0072 0.0045 0.0151 1541 THR 148 HG1 0.0095 0.0029 0.0156 1542 THR 148 HG21 0.0076 0.0044 0.0144 1543 THR 148 HG22 0.0067 0.0055 0.0129 1544 THR 148 HG23 0.0087 0.0045 0.0124 1545 PRO 149 N 0.0076 0.0047 0.0138 1546 PRO 149 CA 0.0078 0.0042 0.0147 1547 PRO 149 C 0.0081 0.0034 0.0165 1548 PRO 149 O 0.0078 0.0034 0.0173 1549 PRO 149 CB 0.0063 0.0051 0.0146 1550 PRO 149 CG 0.0051 0.0059 0.0145 1551 PRO 149 CD 0.0060 0.0057 0.0134 1552 PRO 149 HA 0.0088 0.0039 0.0140 1553 PRO 149 HB3 0.0064 0.0054 0.0135 1554 PRO 149 HB2 0.0060 0.0050 0.0157 1555 PRO 149 HG3 0.0041 0.0067 0.0140 1556 PRO 149 HG2 0.0047 0.0057 0.0158 1557 PRO 149 HD2 0.0055 0.0060 0.0137 1558 PRO 149 HD3 0.0061 0.0062 0.0121 1559 ILE 150 N 0.0074 0.0046 0.0185 1560 ILE 150 CA 0.0058 0.0012 0.0198 1561 ILE 150 C 0.0008 0.0004 0.0189 1562 ILE 150 O -0.0015 0.0032 0.0169 1563 ILE 150 CB 0.0068 0.0022 0.0196 1564 ILE 150 CG1 0.0118 0.0028 0.0205 1565 ILE 150 CG2 0.0044 -0.0009 0.0205 1566 ILE 150 CD1 0.0143 -0.0009 0.0231 1567 ILE 150 H 0.0064 0.0073 0.0168 1568 ILE 150 HA 0.0074 -0.0016 0.0216 1569 ILE 150 HB 0.0055 0.0051 0.0177 1570 ILE 150 HG13 0.0124 0.0039 0.0201 1571 ILE 150 HG12 0.0133 0.0053 0.0197 1572 ILE 150 HG21 0.0055 -0.0003 0.0205 1573 ILE 150 HG22 0.0008 -0.0009 0.0196 1574 ILE 150 HG23 0.0050 -0.0041 0.0223 1575 ILE 150 HD11 0.0173 -0.0008 0.0238 1576 ILE 150 HD12 0.0123 -0.0038 0.0241 1577 ILE 150 HD13 0.0154 -0.0011 0.0235 1578 VAL 151 N -0.0008 -0.0033 0.0204 1579 VAL 151 CA -0.0054 -0.0044 0.0198 1580 VAL 151 C -0.0075 -0.0076 0.0209 1581 VAL 151 O -0.0054 -0.0104 0.0229 1582 VAL 151 CB -0.0058 -0.0064 0.0207 1583 VAL 151 CG1 -0.0106 -0.0077 0.0201 1584 VAL 151 CG2 -0.0035 -0.0035 0.0198 1585 VAL 151 H 0.0013 -0.0055 0.0221 1586 VAL 151 HA -0.0073 -0.0018 0.0179 1587 VAL 151 HB -0.0041 -0.0091 0.0226 1588 VAL 151 HG11 -0.0107 -0.0089 0.0207 1589 VAL 151 HG12 -0.0123 -0.0101 0.0209 1590 VAL 151 HG13 -0.0126 -0.0052 0.0183 1591 VAL 151 HG21 -0.0038 -0.0048 0.0204 1592 VAL 151 HG22 -0.0049 -0.0006 0.0179 1593 VAL 151 HG23 0.0001 -0.0028 0.0204 1594 HIS 152 N -0.0203 -0.0134 0.0258 1595 HIS 152 CA -0.0199 -0.0118 0.0184 1596 HIS 152 C -0.0140 -0.0141 0.0187 1597 HIS 152 O -0.0121 -0.0163 0.0249 1598 HIS 152 CB -0.0274 -0.0085 0.0165 1599 HIS 152 CG -0.0316 -0.0083 0.0225 1600 HIS 152 ND1 -0.0352 -0.0085 0.0291 1601 HIS 152 CD2 -0.0331 -0.0078 0.0230 1602 HIS 152 CE1 -0.0385 -0.0082 0.0330 1603 HIS 152 NE2 -0.0375 -0.0078 0.0297 1604 HIS 152 H -0.0180 -0.0152 0.0298 1605 HIS 152 HA -0.0179 -0.0115 0.0141 1606 HIS 152 HB3 -0.0309 -0.0068 0.0152 1607 HIS 152 HB2 -0.0267 -0.0075 0.0113 1608 HIS 152 HD1 -0.0352 -0.0088 0.0305 1609 HIS 152 HD2 -0.0314 -0.0075 0.0190 1610 HIS 152 HE1 -0.0417 -0.0082 0.0384 1611 HIS 153 N -0.0112 -0.0136 0.0119 1612 HIS 153 CA -0.0065 -0.0151 0.0111 1613 HIS 153 C -0.0115 -0.0133 0.0113 1614 HIS 153 O -0.0178 -0.0104 0.0094 1615 HIS 153 CB -0.0017 -0.0152 0.0035 1616 HIS 153 CG 0.0049 -0.0175 0.0026 1617 HIS 153 ND1 0.0046 -0.0168 0.0002 1618 HIS 153 CD2 0.0122 -0.0205 0.0038 1619 HIS 153 CE1 0.0113 -0.0193 0.0002 1620 HIS 153 NE2 0.0162 -0.0217 0.0024 1621 HIS 153 H -0.0136 -0.0115 0.0072 1622 HIS 153 HA -0.0030 -0.0176 0.0158 1623 HIS 153 HB3 -0.0049 -0.0128 -0.0014 1624 HIS 153 HB2 0.0005 -0.0158 0.0029 1625 HIS 153 HD1 0.0000 -0.0147 -0.0011 1626 HIS 153 HD2 0.0148 -0.0219 0.0056 1627 HIS 153 HE1 0.0126 -0.0195 -0.0014 1628 VAL 154 N -0.0027 -0.0206 0.0098 1629 VAL 154 CA -0.0011 -0.0191 0.0076 1630 VAL 154 C 0.0028 -0.0101 -0.0023 1631 VAL 154 O 0.0082 -0.0078 -0.0073 1632 VAL 154 CB 0.0074 -0.0285 0.0107 1633 VAL 154 CG1 0.0198 -0.0300 0.0049 1634 VAL 154 CG2 0.0057 -0.0293 0.0124 1635 VAL 154 H 0.0037 -0.0255 0.0103 1636 VAL 154 HA -0.0091 -0.0177 0.0110 1637 VAL 154 HB 0.0056 -0.0347 0.0171 1638 VAL 154 HG11 0.0250 -0.0372 0.0080 1639 VAL 154 HG12 0.0213 -0.0294 0.0036 1640 VAL 154 HG13 0.0227 -0.0247 -0.0013 1641 VAL 154 HG21 0.0113 -0.0361 0.0150 1642 VAL 154 HG22 0.0072 -0.0233 0.0064 1643 VAL 154 HG23 -0.0028 -0.0291 0.0171 1644 ALA 155 N -0.0002 -0.0052 -0.0047 1645 ALA 155 CA 0.0030 0.0033 -0.0138 1646 ALA 155 C 0.0113 0.0008 -0.0165 1647 ALA 155 O 0.0172 0.0062 -0.0245 1648 ALA 155 CB -0.0078 0.0117 -0.0148 1649 ALA 155 OXT 0.0107 -0.0058 -0.0105 1650 ALA 155 H -0.0032 -0.0083 -0.0004 1651 ALA 155 HA 0.0072 0.0058 -0.0183 1652 ALA 155 HB1 -0.0060 0.0182 -0.0214 1653 ALA 155 HB2 -0.0133 0.0135 -0.0132 1654 ALA 155 HB3 -0.0124 0.0098 -0.0105 1655 ASP 103 N -0.0296 0.0021 0.0005 1656 ASP 103 CA -0.0335 0.0016 -0.0049 1657 ASP 103 C -0.0294 0.0002 -0.0107 1658 ASP 103 O -0.0320 -0.0003 -0.0155 1659 ASP 103 CB -0.0379 0.0024 -0.0030 1660 ASP 103 CG -0.0428 0.0039 0.0023 1661 ASP 103 OD1 -0.0440 0.0043 0.0041 1662 ASP 103 OD2 -0.0457 0.0045 0.0041 1663 ASP 103 H -0.0289 0.0026 0.0042 1664 ASP 103 HA -0.0368 0.0017 -0.0066 1665 ASP 103 HB2 -0.0348 0.0024 -0.0014 1666 ASP 103 HB3 -0.0406 0.0020 -0.0071 1667 ASN 57 N -0.0473 -0.0242 0.0026 1668 ASN 57 CA -0.0528 -0.0270 0.0028 1669 ASN 57 C -0.0572 -0.0203 0.0029 1670 ASN 57 O -0.0637 -0.0206 0.0031 1671 ASN 57 CB -0.0577 -0.0331 0.0029 1672 ASN 57 CG -0.0537 -0.0399 0.0027 1673 ASN 57 OD1 -0.0566 -0.0435 0.0028 1674 ASN 57 ND2 -0.0473 -0.0419 0.0025 1675 ASN 57 H -0.0493 -0.0214 0.0027 1676 ASN 57 HA -0.0501 -0.0293 0.0027 1677 ASN 57 HXT -0.0541 -0.0151 0.0028 1678 ASN 57 HB2 -0.0611 -0.0307 0.0030 1679 ASN 57 HB3 -0.0616 -0.0351 0.0030 1680 ASN 57 HD22 -0.0448 -0.0464 0.0024 1681 ASN 57 HD21 -0.0445 -0.0387 0.0025 1682 SER 64 N 0.0159 0.0060 0.0018 1683 SER 64 CA 0.0154 0.0052 0.0022 1684 SER 64 C 0.0147 0.0047 0.0015 1685 SER 64 O 0.0145 0.0048 0.0009 1686 SER 64 CB 0.0155 0.0049 0.0029 1687 SER 64 OG 0.0154 0.0050 0.0025 1688 SER 64 H1 0.0163 0.0063 0.0023 1689 SER 64 H2 0.0158 0.0062 0.0013 1690 SER 64 HA 0.0155 0.0051 0.0025 1691 SER 64 HB2 0.0152 0.0043 0.0032 1692 SER 64 HB3 0.0160 0.0051 0.0034 1693 SER 64 HG 0.0156 0.0055 0.0020 1694 ASP 65 N 0.0143 0.0042 0.0016 1695 ASP 65 CA 0.0137 0.0037 0.0010 1696 ASP 65 C 0.0132 0.0031 0.0011 1697 ASP 65 O 0.0127 0.0026 0.0007 1698 ASP 65 CB 0.0134 0.0032 0.0013 1699 ASP 65 CG 0.0137 0.0036 0.0013 1700 ASP 65 OD1 0.0142 0.0043 0.0011 1701 ASP 65 OD2 0.0135 0.0032 0.0016 1702 ASP 65 H 0.0146 0.0043 0.0019 1703 ASP 65 HA 0.0136 0.0040 0.0004 1704 ASP 65 HB2 0.0134 0.0028 0.0019 1705 ASP 65 HB3 0.0129 0.0029 0.0008 1706 TYR 85 N -0.0085 -0.0014 -0.0115 1707 TYR 85 CA -0.0088 -0.0013 -0.0123 1708 TYR 85 C -0.0094 -0.0007 -0.0117 1709 TYR 85 O -0.0090 -0.0009 -0.0108 1710 TYR 85 CB -0.0080 -0.0020 -0.0128 1711 TYR 85 CG -0.0082 -0.0020 -0.0136 1712 TYR 85 CD1 -0.0084 -0.0021 -0.0148 1713 TYR 85 CD2 -0.0084 -0.0018 -0.0132 1714 TYR 85 CE1 -0.0086 -0.0020 -0.0156 1715 TYR 85 CE2 -0.0086 -0.0017 -0.0140 1716 TYR 85 CZ -0.0087 -0.0018 -0.0152 1717 TYR 85 OH -0.0089 -0.0018 -0.0160 1718 TYR 85 H -0.0082 -0.0015 -0.0107 1719 TYR 85 HA -0.0092 -0.0011 -0.0131 1720 TYR 85 HB2 -0.0076 -0.0024 -0.0132 1721 TYR 85 HB3 -0.0075 -0.0023 -0.0121 1722 TYR 85 HD1 -0.0082 -0.0022 -0.0151 1723 TYR 85 HD2 -0.0083 -0.0017 -0.0123 1724 TYR 85 HE1 -0.0087 -0.0021 -0.0165 1725 TYR 85 HE2 -0.0087 -0.0016 -0.0137 1726 TYR 85 HH -0.0088 -0.0019 -0.0157 1727 PHE 41 N -0.0037 0.0010 -0.0377 1728 PHE 41 CA -0.0046 0.0007 -0.0351 1729 PHE 41 C -0.0017 0.0007 -0.0336 1730 PHE 41 O -0.0012 0.0008 -0.0343 1731 PHE 41 CB -0.0071 0.0006 -0.0361 1732 PHE 41 CG -0.0101 0.0006 -0.0372 1733 PHE 41 CD1 -0.0120 0.0002 -0.0351 1734 PHE 41 CD2 -0.0108 0.0009 -0.0404 1735 PHE 41 CE1 -0.0146 0.0002 -0.0361 1736 PHE 41 CE2 -0.0135 0.0008 -0.0414 1737 PHE 41 CZ -0.0153 0.0005 -0.0392 1738 PHE 41 H -0.0029 0.0012 -0.0396 1739 PHE 41 HA -0.0057 0.0004 -0.0333 1740 PHE 41 HB3 -0.0077 0.0004 -0.0341 1741 PHE 41 HB2 -0.0063 0.0009 -0.0379 1742 PHE 41 HD1 -0.0114 0.0000 -0.0327 1743 PHE 41 HD2 -0.0094 0.0011 -0.0421 1744 PHE 41 HE1 -0.0160 -0.0001 -0.0345 1745 PHE 41 HE2 -0.0140 0.0010 -0.0438 1746 PHE 41 HZ -0.0173 0.0004 -0.0400 1747 PRO 42 N 0.0002 0.0006 -0.0318 1748 PRO 42 CA 0.0029 0.0006 -0.0302 1749 PRO 42 C 0.0019 0.0003 -0.0277 1750 PRO 42 O -0.0004 -0.0000 -0.0261 1751 PRO 42 CB 0.0045 0.0006 -0.0288 1752 PRO 42 CG 0.0020 0.0004 -0.0283 1753 PRO 42 CD -0.0002 0.0005 -0.0311 1754 PRO 42 HA 0.0044 0.0009 -0.0319 1755 PRO 42 HB3 0.0062 0.0008 -0.0305 1756 PRO 42 HB2 0.0058 0.0004 -0.0267 1757 PRO 42 HG3 0.0027 0.0004 -0.0281 1758 PRO 42 HG2 0.0007 0.0001 -0.0263 1759 PRO 42 HD2 -0.0025 0.0003 -0.0305 1760 PRO 42 HD3 0.0006 0.0008 -0.0330 1761 ARG 43 N 0.0025 -0.0008 -0.0231 1762 ARG 43 CA 0.0021 -0.0012 -0.0208 1763 ARG 43 C 0.0022 -0.0015 -0.0187 1764 ARG 43 O 0.0010 -0.0022 -0.0171 1765 ARG 43 CB 0.0039 -0.0006 -0.0204 1766 ARG 43 CG 0.0040 -0.0009 -0.0178 1767 ARG 43 CD 0.0058 -0.0002 -0.0176 1768 ARG 43 NE 0.0063 -0.0003 -0.0151 1769 ARG 43 CZ 0.0075 -0.0000 -0.0133 1770 ARG 43 NH1 0.0084 0.0004 -0.0137 1771 ARG 43 NH2 0.0079 -0.0002 -0.0112 1772 ARG 43 H 0.0037 -0.0002 -0.0241 1773 ARG 43 HA 0.0005 -0.0019 -0.0209 1774 ARG 43 HB3 0.0055 0.0001 -0.0207 1775 ARG 43 HB2 0.0036 -0.0005 -0.0217 1776 ARG 43 HG3 0.0024 -0.0015 -0.0176 1777 ARG 43 HG2 0.0042 -0.0010 -0.0164 1778 ARG 43 HD3 0.0074 0.0006 -0.0185 1779 ARG 43 HD2 0.0052 -0.0003 -0.0185 1780 ARG 43 HH22 0.0087 0.0000 -0.0099 1781 ARG 43 HH21 0.0074 -0.0004 -0.0109 1782 ARG 43 HH12 0.0094 0.0006 -0.0124 1783 ARG 43 HH11 0.0079 0.0004 -0.0151 1784 ARG 43 HE 0.0057 -0.0006 -0.0148 1785 THR 44 N 0.0037 -0.0009 -0.0188 1786 THR 44 CA 0.0042 -0.0009 -0.0169 1787 THR 44 C 0.0042 -0.0008 -0.0179 1788 THR 44 O 0.0053 -0.0001 -0.0197 1789 THR 44 CB 0.0065 -0.0001 -0.0157 1790 THR 44 OG1 0.0065 -0.0002 -0.0148 1791 THR 44 CG2 0.0072 -0.0002 -0.0135 1792 THR 44 H 0.0045 -0.0004 -0.0204 1793 THR 44 HA 0.0029 -0.0016 -0.0156 1794 THR 44 HB 0.0078 0.0006 -0.0170 1795 THR 44 HG1 0.0054 -0.0008 -0.0137 1796 THR 44 HG21 0.0088 0.0004 -0.0127 1797 THR 44 HG22 0.0072 -0.0001 -0.0140 1798 THR 44 HG23 0.0060 -0.0008 -0.0121 1799 VAL 45 N 0.0024 -0.0020 -0.0161 1800 VAL 45 CA 0.0019 -0.0020 -0.0159 1801 VAL 45 C 0.0023 -0.0026 -0.0138 1802 VAL 45 O 0.0024 -0.0029 -0.0126 1803 VAL 45 CB -0.0002 -0.0018 -0.0164 1804 VAL 45 CG1 -0.0006 -0.0013 -0.0184 1805 VAL 45 CG2 -0.0018 -0.0021 -0.0150 1806 VAL 45 H 0.0018 -0.0022 -0.0152 1807 VAL 45 HA 0.0029 -0.0019 -0.0168 1808 VAL 45 HB -0.0005 -0.0018 -0.0163 1809 VAL 45 HG11 -0.0020 -0.0011 -0.0189 1810 VAL 45 HG12 0.0005 -0.0011 -0.0193 1811 VAL 45 HG13 -0.0005 -0.0012 -0.0186 1812 VAL 45 HG21 -0.0032 -0.0019 -0.0155 1813 VAL 45 HG22 -0.0016 -0.0021 -0.0150 1814 VAL 45 HG23 -0.0017 -0.0025 -0.0136 1815 MET 46 N 0.0026 -0.0027 -0.0135 1816 MET 46 CA 0.0027 -0.0032 -0.0116 1817 MET 46 C 0.0007 -0.0033 -0.0108 1818 MET 46 O -0.0004 -0.0029 -0.0119 1819 MET 46 CB 0.0041 -0.0032 -0.0116 1820 MET 46 CG 0.0062 -0.0032 -0.0120 1821 MET 46 SD 0.0078 -0.0033 -0.0121 1822 MET 46 CE 0.0072 -0.0027 -0.0144 1823 MET 46 H 0.0024 -0.0024 -0.0145 1824 MET 46 HA 0.0033 -0.0034 -0.0106 1825 MET 46 HB3 0.0040 -0.0036 -0.0103 1826 MET 46 HB2 0.0035 -0.0029 -0.0127 1827 MET 46 HG3 0.0064 -0.0029 -0.0133 1828 MET 46 HG2 0.0067 -0.0035 -0.0109 1829 MET 46 HE1 0.0082 -0.0026 -0.0148 1830 MET 46 HE2 0.0074 -0.0024 -0.0155 1831 MET 46 HE3 0.0057 -0.0026 -0.0144 1832 VAL 47 N -0.0007 -0.0023 -0.0090 1833 VAL 47 CA -0.0022 -0.0029 -0.0085 1834 VAL 47 C -0.0021 -0.0036 -0.0074 1835 VAL 47 O -0.0011 -0.0040 -0.0064 1836 VAL 47 CB -0.0028 -0.0034 -0.0079 1837 VAL 47 CG1 -0.0044 -0.0041 -0.0073 1838 VAL 47 CG2 -0.0029 -0.0027 -0.0090 1839 VAL 47 H 0.0002 -0.0026 -0.0082 1840 VAL 47 HA -0.0031 -0.0025 -0.0093 1841 VAL 47 HB -0.0019 -0.0038 -0.0071 1842 VAL 47 HG11 -0.0048 -0.0045 -0.0069 1843 VAL 47 HG12 -0.0044 -0.0047 -0.0064 1844 VAL 47 HG13 -0.0054 -0.0038 -0.0080 1845 VAL 47 HG21 -0.0034 -0.0031 -0.0086 1846 VAL 47 HG22 -0.0036 -0.0022 -0.0099 1847 VAL 47 HG23 -0.0017 -0.0023 -0.0092 1848 ASN 48 N -0.0033 -0.0038 -0.0075 1849 ASN 48 CA -0.0035 -0.0045 -0.0065 1850 ASN 48 C -0.0046 -0.0054 -0.0055 1851 ASN 48 O -0.0060 -0.0054 -0.0059 1852 ASN 48 CB -0.0043 -0.0042 -0.0072 1853 ASN 48 CG -0.0044 -0.0048 -0.0064 1854 ASN 48 OD1 -0.0043 -0.0056 -0.0051 1855 ASN 48 ND2 -0.0047 -0.0044 -0.0070 1856 ASN 48 H -0.0040 -0.0034 -0.0084 1857 ASN 48 HA -0.0024 -0.0047 -0.0059 1858 ASN 48 HB3 -0.0055 -0.0041 -0.0077 1859 ASN 48 HB2 -0.0036 -0.0035 -0.0080 1860 ASN 48 HD22 -0.0049 -0.0048 -0.0065 1861 ASN 48 HD21 -0.0049 -0.0037 -0.0080 1862 LEU 49 N -0.0039 -0.0041 -0.0038 1863 LEU 49 CA -0.0048 -0.0053 -0.0026 1864 LEU 49 C -0.0062 -0.0062 -0.0021 1865 LEU 49 O -0.0071 -0.0071 -0.0011 1866 LEU 49 CB -0.0034 -0.0058 -0.0011 1867 LEU 49 CG -0.0022 -0.0052 -0.0013 1868 LEU 49 CD1 -0.0009 -0.0058 0.0003 1869 LEU 49 CD2 -0.0032 -0.0051 -0.0021 1870 LEU 49 H -0.0026 -0.0039 -0.0034 1871 LEU 49 HA -0.0056 -0.0053 -0.0031 1872 LEU 49 HB3 -0.0041 -0.0067 -0.0001 1873 LEU 49 HB2 -0.0025 -0.0058 -0.0006 1874 LEU 49 HG -0.0013 -0.0043 -0.0021 1875 LEU 49 HD11 -0.0002 -0.0054 0.0002 1876 LEU 49 HD12 0.0000 -0.0057 0.0007 1877 LEU 49 HD13 -0.0017 -0.0067 0.0012 1878 LEU 49 HD21 -0.0024 -0.0048 -0.0020 1879 LEU 49 HD22 -0.0043 -0.0059 -0.0014 1880 LEU 49 HD23 -0.0038 -0.0044 -0.0033 1881 ASN 50 N -0.0063 -0.0058 -0.0026 1882 ASN 50 CA -0.0076 -0.0066 -0.0023 1883 ASN 50 C -0.0095 -0.0066 -0.0034 1884 ASN 50 O -0.0100 -0.0059 -0.0047 1885 ASN 50 CB -0.0070 -0.0061 -0.0026 1886 ASN 50 CG -0.0055 -0.0065 -0.0012 1887 ASN 50 OD1 -0.0052 -0.0072 0.0001 1888 ASN 50 ND2 -0.0047 -0.0059 -0.0016 1889 ASN 50 H -0.0055 -0.0050 -0.0034 1890 ASN 50 HA -0.0077 -0.0074 -0.0010 1891 ASN 50 HB3 -0.0082 -0.0065 -0.0027 1892 ASN 50 HB2 -0.0066 -0.0052 -0.0037 1893 ASN 50 HD22 -0.0038 -0.0062 -0.0006 1894 ASN 50 HD21 -0.0050 -0.0054 -0.0026 1895 ILE 51 N -0.0109 -0.0086 -0.0051 1896 ILE 51 CA -0.0117 -0.0081 -0.0053 1897 ILE 51 C -0.0133 -0.0081 -0.0055 1898 ILE 51 O -0.0140 -0.0090 -0.0052 1899 ILE 51 CB -0.0114 -0.0090 -0.0050 1900 ILE 51 CG1 -0.0097 -0.0092 -0.0048 1901 ILE 51 CG2 -0.0122 -0.0085 -0.0052 1902 ILE 51 CD1 -0.0094 -0.0104 -0.0043 1903 ILE 51 H -0.0100 -0.0092 -0.0048 1904 ILE 51 HA -0.0112 -0.0070 -0.0056 1905 ILE 51 HB -0.0118 -0.0100 -0.0047 1906 ILE 51 HG13 -0.0091 -0.0094 -0.0047 1907 ILE 51 HG12 -0.0093 -0.0082 -0.0051 1908 ILE 51 HG21 -0.0119 -0.0091 -0.0050 1909 ILE 51 HG22 -0.0133 -0.0085 -0.0053 1910 ILE 51 HG23 -0.0118 -0.0074 -0.0056 1911 ILE 51 HD11 -0.0083 -0.0104 -0.0042 1912 ILE 51 HD12 -0.0096 -0.0114 -0.0040 1913 ILE 51 HD13 -0.0101 -0.0104 -0.0044 1914 HIS 52 N -0.0141 -0.0070 -0.0059 1915 HIS 52 CA -0.0156 -0.0070 -0.0061 1916 HIS 52 C -0.0160 -0.0072 -0.0061 1917 HIS 52 O -0.0152 -0.0066 -0.0062 1918 HIS 52 CB -0.0163 -0.0057 -0.0066 1919 HIS 52 CG -0.0164 -0.0057 -0.0066 1920 HIS 52 ND1 -0.0159 -0.0068 -0.0062 1921 HIS 52 CD2 -0.0171 -0.0048 -0.0070 1922 HIS 52 CE1 -0.0164 -0.0065 -0.0063 1923 HIS 52 NE2 -0.0171 -0.0053 -0.0068 1924 HIS 52 H -0.0135 -0.0063 -0.0061 1925 HIS 52 HA -0.0162 -0.0079 -0.0058 1926 HIS 52 HB3 -0.0173 -0.0055 -0.0067 1927 HIS 52 HB2 -0.0156 -0.0048 -0.0068 1928 HIS 52 HD1 -0.0154 -0.0076 -0.0059 1929 HIS 52 HD2 -0.0177 -0.0039 -0.0073 1930 HIS 52 HE1 -0.0162 -0.0071 -0.0061 1931 ASN 53 N -0.0181 -0.0099 -0.0064 1932 ASN 53 CA -0.0180 -0.0098 -0.0065 1933 ASN 53 C -0.0194 -0.0083 -0.0063 1934 ASN 53 O -0.0210 -0.0082 -0.0062 1935 ASN 53 CB -0.0185 -0.0118 -0.0065 1936 ASN 53 CG -0.0170 -0.0134 -0.0066 1937 ASN 53 OD1 -0.0170 -0.0148 -0.0066 1938 ASN 53 ND2 -0.0158 -0.0132 -0.0067 1939 ASN 53 H -0.0193 -0.0105 -0.0064 1940 ASN 53 HA -0.0165 -0.0094 -0.0066 1941 ASN 53 HB3 -0.0186 -0.0116 -0.0064 1942 ASN 53 HB2 -0.0199 -0.0122 -0.0063 1943 ASN 53 HD22 -0.0150 -0.0144 -0.0068 1944 ASN 53 HD21 -0.0158 -0.0121 -0.0067 1945 ARG 54 N -0.0188 -0.0071 -0.0063 1946 ARG 54 CA -0.0199 -0.0056 -0.0062 1947 ARG 54 C -0.0194 -0.0057 -0.0062 1948 ARG 54 O -0.0187 -0.0044 -0.0063 1949 ARG 54 CB -0.0194 -0.0037 -0.0062 1950 ARG 54 CG -0.0207 -0.0020 -0.0061 1951 ARG 54 CD -0.0203 -0.0001 -0.0061 1952 ARG 54 NE -0.0204 -0.0001 -0.0060 1953 ARG 54 CZ -0.0219 -0.0001 -0.0059 1954 ARG 54 NH1 -0.0237 0.0001 -0.0058 1955 ARG 54 NH2 -0.0216 -0.0004 -0.0059 1956 ARG 54 H -0.0174 -0.0071 -0.0065 1957 ARG 54 HA -0.0214 -0.0059 -0.0061 1958 ARG 54 HXT -0.0198 -0.0070 -0.0062 1959 ARG 54 HB3 -0.0179 -0.0033 -0.0063 1960 ARG 54 HB2 -0.0195 -0.0039 -0.0062 1961 ARG 54 HG3 -0.0222 -0.0024 -0.0059 1962 ARG 54 HG2 -0.0206 -0.0018 -0.0061 1963 ARG 54 HD3 -0.0212 0.0011 -0.0060 1964 ARG 54 HD2 -0.0188 0.0004 -0.0062 1965 ARG 54 HH22 -0.0226 -0.0002 -0.0059 1966 ARG 54 HH21 -0.0202 -0.0006 -0.0061 1967 ARG 54 HH12 -0.0249 0.0000 -0.0057 1968 ARG 54 HH11 -0.0238 0.0003 -0.0057 1969 ARG 54 HE -0.0191 -0.0002 -0.0062 1970 SER 64 N 0.0227 0.0046 0.0139 1971 SER 64 CA 0.0217 0.0039 0.0131 1972 SER 64 C 0.0206 0.0047 0.0125 1973 SER 64 O 0.0197 0.0042 0.0118 1974 SER 64 CB 0.0218 0.0031 0.0129 1975 SER 64 OG 0.0227 0.0022 0.0133 1976 SER 64 H1 0.0232 0.0045 0.0142 1977 SER 64 H2 0.0231 0.0042 0.0141 1978 SER 64 HA 0.0217 0.0031 0.0129 1979 SER 64 HB3 0.0211 0.0027 0.0123 1980 SER 64 HB2 0.0219 0.0038 0.0131 1981 SER 64 HG 0.0228 0.0017 0.0133 1982 TYR 66 N 0.0159 0.0050 0.0091 1983 TYR 66 CA 0.0151 0.0045 0.0085 1984 TYR 66 C 0.0142 0.0047 0.0087 1985 TYR 66 O 0.0133 0.0046 0.0086 1986 TYR 66 CB 0.0156 0.0038 0.0076 1987 TYR 66 CG 0.0163 0.0034 0.0071 1988 TYR 66 CD1 0.0162 0.0036 0.0074 1989 TYR 66 CD2 0.0169 0.0029 0.0064 1990 TYR 66 CE1 0.0168 0.0033 0.0069 1991 TYR 66 CE2 0.0175 0.0025 0.0060 1992 TYR 66 CZ 0.0175 0.0027 0.0062 1993 TYR 66 OH 0.0180 0.0023 0.0058 1994 TYR 66 H 0.0167 0.0048 0.0090 1995 TYR 66 HA 0.0146 0.0045 0.0084 1996 TYR 66 HB3 0.0149 0.0035 0.0071 1997 TYR 66 HB2 0.0160 0.0038 0.0076 1998 TYR 66 HD1 0.0157 0.0041 0.0079 1999 TYR 66 HD2 0.0170 0.0027 0.0062 2000 TYR 66 HE1 0.0168 0.0034 0.0071 2001 TYR 66 HE2 0.0180 0.0021 0.0054 2002 TYR 66 HH 0.0184 0.0019 0.0053 2003 TYR 67 N 0.0146 0.0051 0.0092 2004 TYR 67 CA 0.0140 0.0053 0.0095 2005 TYR 67 C 0.0131 0.0059 0.0102 2006 TYR 67 O 0.0122 0.0060 0.0103 2007 TYR 67 CB 0.0147 0.0056 0.0099 2008 TYR 67 CG 0.0152 0.0063 0.0108 2009 TYR 67 CD1 0.0160 0.0064 0.0110 2010 TYR 67 CD2 0.0148 0.0068 0.0115 2011 TYR 67 CE1 0.0163 0.0071 0.0119 2012 TYR 67 CE2 0.0152 0.0075 0.0123 2013 TYR 67 CZ 0.0159 0.0076 0.0126 2014 TYR 67 OH 0.0163 0.0083 0.0134 2015 TYR 67 H 0.0155 0.0052 0.0093 2016 TYR 67 HA 0.0135 0.0049 0.0090 2017 TYR 67 HB3 0.0154 0.0052 0.0094 2018 TYR 67 HB2 0.0142 0.0056 0.0099 2019 TYR 67 HD1 0.0163 0.0061 0.0105 2020 TYR 67 HD2 0.0143 0.0067 0.0113 2021 TYR 67 HE1 0.0169 0.0072 0.0121 2022 TYR 67 HE2 0.0149 0.0079 0.0128 2023 TYR 67 HH 0.0162 0.0086 0.0138 2024 ASN 68 N 0.0138 0.0043 0.0126 2025 ASN 68 CA 0.0130 0.0052 0.0133 2026 ASN 68 C 0.0122 0.0053 0.0130 2027 ASN 68 O 0.0111 0.0058 0.0129 2028 ASN 68 CB 0.0136 0.0056 0.0145 2029 ASN 68 CG 0.0141 0.0057 0.0151 2030 ASN 68 OD1 0.0136 0.0058 0.0149 2031 ASN 68 ND2 0.0151 0.0057 0.0158 2032 ASN 68 H 0.0144 0.0041 0.0128 2033 ASN 68 HA 0.0125 0.0054 0.0133 2034 ASN 68 HB3 0.0130 0.0061 0.0150 2035 ASN 68 HB2 0.0143 0.0053 0.0146 2036 ASN 68 HD22 0.0154 0.0057 0.0162 2037 ASN 68 HD21 0.0155 0.0056 0.0160 2038 ARG 69 N 0.0127 0.0050 0.0128 2039 ARG 69 CA 0.0121 0.0052 0.0127 2040 ARG 69 C 0.0113 0.0049 0.0115 2041 ARG 69 O 0.0107 0.0051 0.0113 2042 ARG 69 CB 0.0130 0.0048 0.0128 2043 ARG 69 CG 0.0137 0.0052 0.0140 2044 ARG 69 CD 0.0148 0.0047 0.0140 2045 ARG 69 NE 0.0146 0.0045 0.0135 2046 ARG 69 CZ 0.0153 0.0038 0.0130 2047 ARG 69 NH1 0.0149 0.0037 0.0125 2048 ARG 69 NH2 0.0164 0.0034 0.0132 2049 ARG 69 H 0.0135 0.0046 0.0129 2050 ARG 69 HA 0.0115 0.0058 0.0132 2051 ARG 69 HB3 0.0125 0.0049 0.0126 2052 ARG 69 HB2 0.0135 0.0042 0.0123 2053 ARG 69 HG3 0.0140 0.0052 0.0143 2054 ARG 69 HG2 0.0132 0.0058 0.0145 2055 ARG 69 HD3 0.0154 0.0042 0.0137 2056 ARG 69 HD2 0.0152 0.0050 0.0149 2057 ARG 69 HH22 0.0169 0.0029 0.0128 2058 ARG 69 HH21 0.0167 0.0035 0.0137 2059 ARG 69 HH12 0.0153 0.0032 0.0121 2060 ARG 69 HH11 0.0140 0.0040 0.0124 2061 ARG 69 HE 0.0138 0.0048 0.0134 2062 SER 70 N 0.0118 0.0034 0.0098 2063 SER 70 CA 0.0114 0.0032 0.0091 2064 SER 70 C 0.0105 0.0029 0.0097 2065 SER 70 O 0.0104 0.0029 0.0107 2066 SER 70 CB 0.0123 0.0036 0.0089 2067 SER 70 OG 0.0120 0.0034 0.0083 2068 SER 70 H 0.0124 0.0037 0.0101 2069 SER 70 HA 0.0112 0.0031 0.0084 2070 SER 70 HB3 0.0127 0.0038 0.0096 2071 SER 70 HB2 0.0129 0.0038 0.0083 2072 SER 70 HG 0.0123 0.0035 0.0076 2073 THR 71 N 0.0098 0.0026 0.0090 2074 THR 71 CA 0.0090 0.0023 0.0093 2075 THR 71 C 0.0094 0.0025 0.0097 2076 THR 71 O 0.0089 0.0023 0.0103 2077 THR 71 CB 0.0083 0.0020 0.0084 2078 THR 71 OG1 0.0088 0.0021 0.0074 2079 THR 71 CG2 0.0076 0.0017 0.0081 2080 THR 71 H 0.0099 0.0026 0.0082 2081 THR 71 HA 0.0086 0.0022 0.0100 2082 THR 71 HB 0.0077 0.0018 0.0086 2083 THR 71 HG1 0.0092 0.0023 0.0072 2084 THR 71 HG21 0.0071 0.0015 0.0075 2085 THR 71 HG22 0.0072 0.0016 0.0088 2086 THR 71 HG23 0.0081 0.0019 0.0079 2087 SER 72 N 0.0106 0.0022 0.0086 2088 SER 72 CA 0.0108 0.0025 0.0091 2089 SER 72 C 0.0116 0.0032 0.0094 2090 SER 72 O 0.0123 0.0035 0.0090 2091 SER 72 CB 0.0109 0.0022 0.0083 2092 SER 72 OG 0.0115 0.0022 0.0074 2093 SER 72 H 0.0111 0.0023 0.0081 2094 SER 72 HA 0.0103 0.0024 0.0097 2095 SER 72 HB3 0.0102 0.0017 0.0082 2096 SER 72 HB2 0.0111 0.0025 0.0086 2097 SER 72 HG 0.0119 0.0026 0.0076 2098 PRO 73 N 0.0116 0.0035 0.0102 2099 PRO 73 CA 0.0124 0.0042 0.0105 2100 PRO 73 C 0.0128 0.0046 0.0110 2101 PRO 73 O 0.0124 0.0045 0.0114 2102 PRO 73 CB 0.0121 0.0043 0.0111 2103 PRO 73 CG 0.0112 0.0038 0.0116 2104 PRO 73 CD 0.0109 0.0033 0.0108 2105 PRO 73 HA 0.0129 0.0042 0.0099 2106 PRO 73 HB3 0.0122 0.0041 0.0107 2107 PRO 73 HB2 0.0126 0.0047 0.0117 2108 PRO 73 HG3 0.0108 0.0037 0.0119 2109 PRO 73 HG2 0.0112 0.0041 0.0122 2110 PRO 73 HD2 0.0103 0.0030 0.0111 2111 PRO 73 HD3 0.0106 0.0029 0.0104 2112 TRP 74 N 0.0117 0.0050 0.0078 2113 TRP 74 CA 0.0112 0.0055 0.0082 2114 TRP 74 C 0.0115 0.0067 0.0081 2115 TRP 74 O 0.0122 0.0070 0.0077 2116 TRP 74 CB 0.0113 0.0049 0.0081 2117 TRP 74 CG 0.0122 0.0049 0.0076 2118 TRP 74 CD1 0.0125 0.0056 0.0074 2119 TRP 74 CD2 0.0128 0.0041 0.0071 2120 TRP 74 NE1 0.0133 0.0053 0.0069 2121 TRP 74 CE2 0.0135 0.0044 0.0067 2122 TRP 74 CE3 0.0129 0.0032 0.0070 2123 TRP 74 CZ2 0.0143 0.0038 0.0062 2124 TRP 74 CZ3 0.0137 0.0026 0.0065 2125 TRP 74 CH2 0.0144 0.0029 0.0061 2126 TRP 74 H 0.0124 0.0052 0.0074 2127 TRP 74 HA 0.0105 0.0055 0.0086 2128 TRP 74 HB3 0.0110 0.0041 0.0082 2129 TRP 74 HB2 0.0108 0.0052 0.0084 2130 TRP 74 HD1 0.0121 0.0062 0.0077 2131 TRP 74 HE1 0.0136 0.0057 0.0068 2132 TRP 74 HE3 0.0124 0.0030 0.0072 2133 TRP 74 HZ2 0.0148 0.0040 0.0059 2134 TRP 74 HZ3 0.0138 0.0019 0.0064 2135 TRP 74 HH2 0.0150 0.0024 0.0057 2136 ASN 75 N 0.0110 0.0072 0.0084 2137 ASN 75 CA 0.0111 0.0083 0.0084 2138 ASN 75 C 0.0111 0.0083 0.0085 2139 ASN 75 O 0.0105 0.0077 0.0087 2140 ASN 75 CB 0.0104 0.0090 0.0089 2141 ASN 75 CG 0.0103 0.0091 0.0090 2142 ASN 75 OD1 0.0109 0.0088 0.0086 2143 ASN 75 ND2 0.0095 0.0094 0.0094 2144 ASN 75 H 0.0104 0.0069 0.0087 2145 ASN 75 HA 0.0118 0.0086 0.0081 2146 ASN 75 HB3 0.0105 0.0098 0.0089 2147 ASN 75 HB2 0.0098 0.0088 0.0093 2148 ASN 75 HD22 0.0095 0.0094 0.0095 2149 ASN 75 HD21 0.0091 0.0096 0.0098 2150 LEU 76 N 0.0096 0.0113 0.0058 2151 LEU 76 CA 0.0085 0.0106 0.0063 2152 LEU 76 C 0.0065 0.0120 0.0059 2153 LEU 76 O 0.0067 0.0137 0.0050 2154 LEU 76 CB 0.0099 0.0106 0.0061 2155 LEU 76 CG 0.0118 0.0091 0.0066 2156 LEU 76 CD1 0.0132 0.0094 0.0063 2157 LEU 76 CD2 0.0111 0.0071 0.0077 2158 LEU 76 H 0.0105 0.0124 0.0051 2159 LEU 76 HA 0.0080 0.0092 0.0070 2160 LEU 76 HB3 0.0089 0.0103 0.0064 2161 LEU 76 HB2 0.0104 0.0120 0.0053 2162 LEU 76 HG 0.0128 0.0094 0.0063 2163 LEU 76 HD11 0.0146 0.0084 0.0066 2164 LEU 76 HD12 0.0138 0.0108 0.0055 2165 LEU 76 HD13 0.0123 0.0091 0.0065 2166 LEU 76 HD21 0.0120 0.0061 0.0080 2167 LEU 76 HD22 0.0095 0.0069 0.0080 2168 LEU 76 HD23 0.0114 0.0065 0.0079 2169 HIS 77 N 0.0047 0.0111 0.0065 2170 HIS 77 CA 0.0027 0.0122 0.0063 2171 HIS 77 C 0.0021 0.0117 0.0066 2172 HIS 77 O 0.0025 0.0100 0.0073 2173 HIS 77 CB 0.0009 0.0116 0.0068 2174 HIS 77 CG 0.0012 0.0124 0.0064 2175 HIS 77 ND1 0.0026 0.0115 0.0066 2176 HIS 77 CD2 0.0003 0.0140 0.0057 2177 HIS 77 CE1 0.0025 0.0126 0.0061 2178 HIS 77 NE2 0.0011 0.0141 0.0055 2179 HIS 77 H 0.0047 0.0097 0.0072 2180 HIS 77 HA 0.0028 0.0137 0.0055 2181 HIS 77 HB3 -0.0006 0.0121 0.0067 2182 HIS 77 HB2 0.0009 0.0101 0.0075 2183 HIS 77 HD1 0.0036 0.0104 0.0070 2184 HIS 77 HD2 -0.0009 0.0150 0.0053 2185 HIS 77 HE1 0.0034 0.0123 0.0061 2186 ARG 78 N -0.0029 0.0151 0.0031 2187 ARG 78 CA -0.0029 0.0139 0.0034 2188 ARG 78 C -0.0056 0.0127 0.0030 2189 ARG 78 O -0.0072 0.0140 0.0021 2190 ARG 78 CB -0.0021 0.0160 0.0031 2191 ARG 78 CG -0.0016 0.0150 0.0035 2192 ARG 78 CD -0.0006 0.0171 0.0032 2193 ARG 78 NE -0.0005 0.0163 0.0035 2194 ARG 78 CZ -0.0023 0.0159 0.0030 2195 ARG 78 NH1 -0.0019 0.0151 0.0034 2196 ARG 78 NH2 -0.0047 0.0163 0.0022 2197 ARG 78 H -0.0035 0.0169 0.0024 2198 ARG 78 HA -0.0016 0.0125 0.0042 2199 ARG 78 HB3 -0.0036 0.0173 0.0023 2200 ARG 78 HB2 -0.0005 0.0171 0.0033 2201 ARG 78 HG3 -0.0000 0.0138 0.0043 2202 ARG 78 HG2 -0.0031 0.0138 0.0034 2203 ARG 78 HD3 -0.0016 0.0188 0.0025 2204 ARG 78 HD2 0.0013 0.0177 0.0036 2205 ARG 78 HH22 -0.0061 0.0158 0.0020 2206 ARG 78 HH21 -0.0052 0.0169 0.0019 2207 ARG 78 HH12 -0.0034 0.0142 0.0032 2208 ARG 78 HH11 -0.0002 0.0150 0.0039 2209 ARG 78 HE 0.0013 0.0159 0.0041 2210 ASN 79 N -0.0059 0.0102 0.0035 2211 ASN 79 CA -0.0081 0.0086 0.0033 2212 ASN 79 C -0.0079 0.0078 0.0036 2213 ASN 79 O -0.0063 0.0064 0.0045 2214 ASN 79 CB -0.0081 0.0064 0.0039 2215 ASN 79 CG -0.0101 0.0042 0.0039 2216 ASN 79 OD1 -0.0111 0.0035 0.0038 2217 ASN 79 ND2 -0.0105 0.0029 0.0042 2218 ASN 79 H -0.0043 0.0093 0.0043 2219 ASN 79 HA -0.0098 0.0097 0.0025 2220 ASN 79 HB3 -0.0063 0.0056 0.0047 2221 ASN 79 HB2 -0.0082 0.0073 0.0037 2222 ASN 79 HD22 -0.0117 0.0014 0.0042 2223 ASN 79 HD21 -0.0095 0.0033 0.0044 2224 GLU 80 N -0.0098 0.0073 0.0048 2225 GLU 80 CA -0.0096 0.0071 0.0048 2226 GLU 80 C -0.0114 0.0062 0.0048 2227 GLU 80 O -0.0130 0.0064 0.0047 2228 GLU 80 CB -0.0090 0.0091 0.0046 2229 GLU 80 CG -0.0084 0.0090 0.0047 2230 GLU 80 CD -0.0073 0.0108 0.0046 2231 GLU 80 OE1 -0.0079 0.0125 0.0043 2232 GLU 80 OE2 -0.0057 0.0106 0.0047 2233 GLU 80 H -0.0110 0.0081 0.0046 2234 GLU 80 HA -0.0083 0.0062 0.0051 2235 GLU 80 HB3 -0.0102 0.0102 0.0044 2236 GLU 80 HB2 -0.0078 0.0098 0.0047 2237 GLU 80 HG3 -0.0075 0.0077 0.0049 2238 GLU 80 HG2 -0.0097 0.0089 0.0046 2239 ASP 81 N -0.0110 0.0051 0.0050 2240 ASP 81 CA -0.0124 0.0039 0.0050 2241 ASP 81 C -0.0115 0.0036 0.0051 2242 ASP 81 O -0.0101 0.0025 0.0054 2243 ASP 81 CB -0.0127 0.0019 0.0052 2244 ASP 81 CG -0.0141 0.0003 0.0053 2245 ASP 81 OD1 -0.0148 0.0004 0.0053 2246 ASP 81 OD2 -0.0143 -0.0011 0.0055 2247 ASP 81 H -0.0096 0.0050 0.0051 2248 ASP 81 HA -0.0138 0.0046 0.0048 2249 ASP 81 HB3 -0.0112 0.0012 0.0054 2250 ASP 81 HB2 -0.0131 0.0022 0.0052 2251 PRO 82 N -0.0096 0.0042 0.0076 2252 PRO 82 CA -0.0082 0.0047 0.0074 2253 PRO 82 C -0.0079 0.0035 0.0067 2254 PRO 82 O -0.0065 0.0035 0.0063 2255 PRO 82 CB -0.0084 0.0062 0.0082 2256 PRO 82 CG -0.0103 0.0061 0.0087 2257 PRO 82 CD -0.0108 0.0052 0.0085 2258 PRO 82 HA -0.0071 0.0048 0.0071 2259 PRO 82 HB3 -0.0079 0.0071 0.0085 2260 PRO 82 HB2 -0.0079 0.0064 0.0081 2261 PRO 82 HG3 -0.0107 0.0072 0.0094 2262 PRO 82 HG2 -0.0107 0.0055 0.0086 2263 PRO 82 HD2 -0.0120 0.0046 0.0085 2264 PRO 82 HD3 -0.0109 0.0059 0.0089 2265 GLU 83 N -0.0091 0.0025 0.0066 2266 GLU 83 CA -0.0091 0.0013 0.0060 2267 GLU 83 C -0.0085 -0.0001 0.0051 2268 GLU 83 O -0.0086 -0.0013 0.0046 2269 GLU 83 CB -0.0108 0.0010 0.0064 2270 GLU 83 CG -0.0112 0.0023 0.0072 2271 GLU 83 CD -0.0100 0.0026 0.0070 2272 GLU 83 OE1 -0.0099 0.0016 0.0064 2273 GLU 83 OE2 -0.0093 0.0039 0.0074 2274 GLU 83 H -0.0102 0.0025 0.0069 2275 GLU 83 HA -0.0082 0.0017 0.0059 2276 GLU 83 HB3 -0.0109 -0.0000 0.0059 2277 GLU 83 HB2 -0.0117 0.0008 0.0065 2278 GLU 83 HG3 -0.0124 0.0021 0.0074 2279 GLU 83 HG2 -0.0112 0.0033 0.0077 2280 ARG 84 N -0.0081 -0.0021 0.0035 2281 ARG 84 CA -0.0080 -0.0025 0.0030 2282 ARG 84 C -0.0073 -0.0023 0.0030 2283 ARG 84 O -0.0071 -0.0018 0.0035 2284 ARG 84 CB -0.0088 -0.0026 0.0031 2285 ARG 84 CG -0.0089 -0.0031 0.0027 2286 ARG 84 CD -0.0097 -0.0031 0.0028 2287 ARG 84 NE -0.0097 -0.0026 0.0033 2288 ARG 84 CZ -0.0103 -0.0023 0.0036 2289 ARG 84 NH1 -0.0102 -0.0019 0.0040 2290 ARG 84 NH2 -0.0110 -0.0025 0.0036 2291 ARG 84 H -0.0081 -0.0017 0.0038 2292 ARG 84 HA -0.0080 -0.0029 0.0026 2293 ARG 84 HB3 -0.0088 -0.0022 0.0035 2294 ARG 84 HB2 -0.0092 -0.0026 0.0032 2295 ARG 84 HG3 -0.0089 -0.0035 0.0023 2296 ARG 84 HG2 -0.0084 -0.0030 0.0026 2297 ARG 84 HD3 -0.0101 -0.0031 0.0029 2298 ARG 84 HD2 -0.0098 -0.0035 0.0025 2299 ARG 84 HH22 -0.0115 -0.0023 0.0039 2300 ARG 84 HH21 -0.0111 -0.0027 0.0034 2301 ARG 84 HH12 -0.0107 -0.0017 0.0043 2302 ARG 84 HH11 -0.0097 -0.0016 0.0042 2303 ARG 84 HE -0.0092 -0.0024 0.0033 2304 TYR 85 N -0.0070 -0.0028 0.0026 2305 TYR 85 CA -0.0065 -0.0028 0.0025 2306 TYR 85 C -0.0068 -0.0032 0.0021 2307 TYR 85 O -0.0070 -0.0037 0.0017 2308 TYR 85 CB -0.0056 -0.0029 0.0022 2309 TYR 85 CG -0.0050 -0.0028 0.0022 2310 TYR 85 CD1 -0.0050 -0.0032 0.0018 2311 TYR 85 CD2 -0.0045 -0.0023 0.0026 2312 TYR 85 CE1 -0.0044 -0.0031 0.0017 2313 TYR 85 CE2 -0.0040 -0.0022 0.0025 2314 TYR 85 CZ -0.0039 -0.0026 0.0021 2315 TYR 85 OH -0.0034 -0.0026 0.0021 2316 TYR 85 H -0.0072 -0.0032 0.0022 2317 TYR 85 HA -0.0064 -0.0023 0.0029 2318 TYR 85 HB3 -0.0056 -0.0033 0.0019 2319 TYR 85 HB2 -0.0055 -0.0025 0.0025 2320 TYR 85 HD1 -0.0053 -0.0036 0.0015 2321 TYR 85 HD2 -0.0046 -0.0019 0.0029 2322 TYR 85 HE1 -0.0044 -0.0035 0.0014 2323 TYR 85 HE2 -0.0036 -0.0018 0.0028 2324 TYR 85 HH -0.0029 -0.0023 0.0023 2325 PRO 86 N -0.0044 -0.0035 0.0025 2326 PRO 86 CA -0.0041 -0.0021 0.0030 2327 PRO 86 C -0.0054 -0.0012 0.0037 2328 PRO 86 O -0.0067 -0.0018 0.0038 2329 PRO 86 CB -0.0039 -0.0024 0.0028 2330 PRO 86 CG -0.0034 -0.0039 0.0021 2331 PRO 86 CD -0.0044 -0.0046 0.0021 2332 PRO 86 HA -0.0031 -0.0016 0.0030 2333 PRO 86 HB3 -0.0030 -0.0017 0.0029 2334 PRO 86 HB2 -0.0049 -0.0024 0.0031 2335 PRO 86 HG3 -0.0023 -0.0039 0.0018 2336 PRO 86 HG2 -0.0035 -0.0044 0.0019 2337 PRO 86 HD2 -0.0055 -0.0049 0.0023 2338 PRO 86 HD3 -0.0039 -0.0055 0.0016 2339 SER 87 N -0.0051 0.0001 0.0042 2340 SER 87 CA -0.0063 0.0011 0.0048 2341 SER 87 C -0.0071 0.0014 0.0051 2342 SER 87 O -0.0084 0.0014 0.0055 2343 SER 87 CB -0.0056 0.0024 0.0052 2344 SER 87 OG -0.0044 0.0031 0.0051 2345 SER 87 H -0.0041 0.0006 0.0041 2346 SER 87 HA -0.0071 0.0005 0.0048 2347 SER 87 HB3 -0.0053 0.0021 0.0050 2348 SER 87 HB2 -0.0065 0.0031 0.0057 2349 SER 87 HG -0.0046 0.0040 0.0056 2350 VAL 88 N -0.0033 0.0033 0.0045 2351 VAL 88 CA -0.0030 0.0048 0.0044 2352 VAL 88 C -0.0023 0.0037 0.0048 2353 VAL 88 O -0.0009 0.0024 0.0055 2354 VAL 88 CB -0.0014 0.0066 0.0047 2355 VAL 88 CG1 -0.0010 0.0083 0.0047 2356 VAL 88 CG2 -0.0020 0.0079 0.0044 2357 VAL 88 H -0.0020 0.0028 0.0051 2358 VAL 88 HA -0.0045 0.0056 0.0038 2359 VAL 88 HB 0.0000 0.0059 0.0054 2360 VAL 88 HG11 0.0000 0.0096 0.0048 2361 VAL 88 HG12 -0.0002 0.0076 0.0050 2362 VAL 88 HG13 -0.0024 0.0089 0.0041 2363 VAL 88 HG21 -0.0008 0.0091 0.0046 2364 VAL 88 HG22 -0.0034 0.0087 0.0037 2365 VAL 88 HG23 -0.0023 0.0068 0.0044 2366 ILE 89 N -0.0032 0.0041 0.0045 2367 ILE 89 CA -0.0025 0.0034 0.0048 2368 ILE 89 C -0.0025 0.0054 0.0045 2369 ILE 89 O -0.0040 0.0066 0.0038 2370 ILE 89 CB -0.0040 0.0016 0.0045 2371 ILE 89 CG1 -0.0040 -0.0004 0.0048 2372 ILE 89 CG2 -0.0035 0.0009 0.0048 2373 ILE 89 CD1 -0.0052 -0.0024 0.0046 2374 ILE 89 H -0.0044 0.0051 0.0039 2375 ILE 89 HA -0.0010 0.0028 0.0054 2376 ILE 89 HB -0.0055 0.0022 0.0039 2377 ILE 89 HG13 -0.0046 0.0000 0.0045 2378 ILE 89 HG12 -0.0024 -0.0007 0.0054 2379 ILE 89 HG21 -0.0046 -0.0003 0.0045 2380 ILE 89 HG22 -0.0034 0.0022 0.0046 2381 ILE 89 HG23 -0.0020 0.0002 0.0054 2382 ILE 89 HD11 -0.0053 -0.0036 0.0047 2383 ILE 89 HD12 -0.0067 -0.0021 0.0041 2384 ILE 89 HD13 -0.0043 -0.0032 0.0050 2385 TRP 90 N 0.0039 0.0065 0.0061 2386 TRP 90 CA 0.0046 0.0081 0.0057 2387 TRP 90 C 0.0045 0.0071 0.0061 2388 TRP 90 O 0.0056 0.0057 0.0070 2389 TRP 90 CB 0.0069 0.0091 0.0061 2390 TRP 90 CG 0.0071 0.0104 0.0057 2391 TRP 90 CD1 0.0077 0.0096 0.0061 2392 TRP 90 CD2 0.0068 0.0126 0.0047 2393 TRP 90 NE1 0.0078 0.0113 0.0056 2394 TRP 90 CE2 0.0073 0.0131 0.0047 2395 TRP 90 CE3 0.0062 0.0143 0.0039 2396 TRP 90 CZ2 0.0072 0.0152 0.0039 2397 TRP 90 CZ3 0.0061 0.0163 0.0031 2398 TRP 90 CH2 0.0066 0.0168 0.0031 2399 TRP 90 H 0.0050 0.0055 0.0068 2400 TRP 90 HA 0.0035 0.0094 0.0049 2401 TRP 90 HB3 0.0074 0.0102 0.0058 2402 TRP 90 HB2 0.0080 0.0079 0.0069 2403 TRP 90 HD1 0.0080 0.0080 0.0069 2404 TRP 90 HE1 0.0083 0.0111 0.0058 2405 TRP 90 HE3 0.0057 0.0139 0.0039 2406 TRP 90 HZ2 0.0076 0.0156 0.0039 2407 TRP 90 HZ3 0.0056 0.0176 0.0025 2408 TRP 90 HH2 0.0065 0.0184 0.0025 2409 GLU 91 N 0.0031 0.0078 0.0053 2410 GLU 91 CA 0.0029 0.0071 0.0055 2411 GLU 91 C 0.0039 0.0089 0.0052 2412 GLU 91 O 0.0036 0.0108 0.0044 2413 GLU 91 CB 0.0006 0.0065 0.0050 2414 GLU 91 CG -0.0004 0.0044 0.0055 2415 GLU 91 CD -0.0025 0.0036 0.0051 2416 GLU 91 OE1 -0.0042 0.0039 0.0044 2417 GLU 91 OE2 -0.0023 0.0030 0.0054 2418 GLU 91 H 0.0022 0.0090 0.0046 2419 GLU 91 HA 0.0038 0.0058 0.0064 2420 GLU 91 HB3 0.0004 0.0065 0.0050 2421 GLU 91 HB2 -0.0004 0.0078 0.0042 2422 GLU 91 HG3 -0.0007 0.0045 0.0054 2423 GLU 91 HG2 0.0007 0.0032 0.0063 2424 ALA 92 N 0.0087 0.0076 0.0068 2425 ALA 92 CA 0.0089 0.0066 0.0066 2426 ALA 92 C 0.0081 0.0060 0.0080 2427 ALA 92 O 0.0076 0.0053 0.0088 2428 ALA 92 CB 0.0096 0.0052 0.0059 2429 ALA 92 H 0.0087 0.0071 0.0068 2430 ALA 92 HA 0.0092 0.0072 0.0060 2431 ALA 92 HB1 0.0098 0.0043 0.0058 2432 ALA 92 HB2 0.0102 0.0055 0.0049 2433 ALA 92 HB3 0.0093 0.0045 0.0065 2434 LYS 93 N 0.0080 0.0061 0.0081 2435 LYS 93 CA 0.0074 0.0053 0.0092 2436 LYS 93 C 0.0079 0.0042 0.0086 2437 LYS 93 O 0.0084 0.0047 0.0078 2438 LYS 93 CB 0.0067 0.0065 0.0100 2439 LYS 93 CG 0.0061 0.0058 0.0109 2440 LYS 93 CD 0.0052 0.0066 0.0122 2441 LYS 93 CE 0.0047 0.0059 0.0131 2442 LYS 93 NZ 0.0048 0.0042 0.0133 2443 LYS 93 H 0.0084 0.0067 0.0074 2444 LYS 93 HA 0.0070 0.0046 0.0099 2445 LYS 93 HB3 0.0070 0.0074 0.0093 2446 LYS 93 HB2 0.0062 0.0072 0.0105 2447 LYS 93 HG3 0.0061 0.0046 0.0112 2448 LYS 93 HG2 0.0065 0.0058 0.0104 2449 LYS 93 HD3 0.0052 0.0079 0.0120 2450 LYS 93 HD2 0.0048 0.0066 0.0128 2451 LYS 93 HE3 0.0050 0.0063 0.0126 2452 LYS 93 HE2 0.0040 0.0065 0.0140 2453 LYS 93 HZ1 0.0054 0.0037 0.0125 2454 LYS 93 HZ2 0.0045 0.0039 0.0137 2455 LYS 93 HZ3 0.0044 0.0038 0.0139 2456 CYS 94 N 0.0111 0.0051 0.0111 2457 CYS 94 CA 0.0107 0.0046 0.0111 2458 CYS 94 C 0.0102 0.0049 0.0118 2459 CYS 94 O 0.0099 0.0051 0.0124 2460 CYS 94 CB 0.0102 0.0038 0.0108 2461 CYS 94 SG 0.0105 0.0034 0.0101 2462 CYS 94 H 0.0110 0.0048 0.0110 2463 CYS 94 HA 0.0111 0.0046 0.0107 2464 CYS 94 HB3 0.0100 0.0034 0.0106 2465 CYS 94 HB2 0.0097 0.0037 0.0113 2466 ARG 95 N 0.0102 0.0049 0.0118 2467 ARG 95 CA 0.0099 0.0052 0.0125 2468 ARG 95 C 0.0090 0.0046 0.0129 2469 ARG 95 O 0.0086 0.0049 0.0136 2470 ARG 95 CB 0.0101 0.0052 0.0123 2471 ARG 95 CG 0.0109 0.0058 0.0120 2472 ARG 95 CD 0.0112 0.0059 0.0118 2473 ARG 95 NE 0.0120 0.0063 0.0114 2474 ARG 95 CZ 0.0124 0.0064 0.0111 2475 ARG 95 NH1 0.0122 0.0062 0.0111 2476 ARG 95 NH2 0.0131 0.0069 0.0107 2477 ARG 95 H 0.0105 0.0046 0.0113 2478 ARG 95 HA 0.0100 0.0057 0.0129 2479 ARG 95 HB3 0.0098 0.0054 0.0128 2480 ARG 95 HB2 0.0100 0.0047 0.0119 2481 ARG 95 HG3 0.0113 0.0057 0.0115 2482 ARG 95 HG2 0.0111 0.0063 0.0124 2483 ARG 95 HD3 0.0110 0.0062 0.0124 2484 ARG 95 HD2 0.0109 0.0053 0.0116 2485 ARG 95 HH22 0.0135 0.0070 0.0105 2486 ARG 95 HH21 0.0133 0.0070 0.0106 2487 ARG 95 HH12 0.0125 0.0063 0.0108 2488 ARG 95 HH11 0.0116 0.0058 0.0113 2489 ARG 95 HE 0.0122 0.0067 0.0115 2490 HIS 96 N 0.0126 0.0028 0.0169 2491 HIS 96 CA 0.0118 0.0014 0.0176 2492 HIS 96 C 0.0120 0.0018 0.0174 2493 HIS 96 O 0.0126 0.0029 0.0163 2494 HIS 96 CB 0.0106 0.0001 0.0166 2495 HIS 96 CG 0.0104 -0.0002 0.0166 2496 HIS 96 ND1 0.0103 -0.0009 0.0181 2497 HIS 96 CD2 0.0104 0.0001 0.0152 2498 HIS 96 CE1 0.0102 -0.0009 0.0176 2499 HIS 96 NE2 0.0103 -0.0003 0.0159 2500 HIS 96 H 0.0126 0.0032 0.0156 2501 HIS 96 HA 0.0119 0.0011 0.0191 2502 HIS 96 HB3 0.0100 -0.0010 0.0172 2503 HIS 96 HB2 0.0105 0.0003 0.0152 2504 HIS 96 HD1 0.0102 -0.0013 0.0193 2505 HIS 96 HD2 0.0104 0.0006 0.0138 2506 HIS 96 HE1 0.0100 -0.0014 0.0185 2507 LEU 97 N 0.0115 0.0008 0.0183 2508 LEU 97 CA 0.0114 0.0008 0.0180 2509 LEU 97 C 0.0104 -0.0002 0.0164 2510 LEU 97 O 0.0105 0.0003 0.0152 2511 LEU 97 CB 0.0113 0.0001 0.0198 2512 LEU 97 CG 0.0123 0.0010 0.0214 2513 LEU 97 CD1 0.0120 0.0001 0.0232 2514 LEU 97 CD2 0.0133 0.0026 0.0211 2515 LEU 97 H 0.0111 -0.0000 0.0192 2516 LEU 97 HA 0.0122 0.0019 0.0176 2517 LEU 97 HB3 0.0112 -0.0000 0.0195 2518 LEU 97 HB2 0.0106 -0.0011 0.0202 2519 LEU 97 HG 0.0125 0.0013 0.0216 2520 LEU 97 HD11 0.0127 0.0008 0.0244 2521 LEU 97 HD12 0.0114 -0.0009 0.0236 2522 LEU 97 HD13 0.0117 -0.0004 0.0231 2523 LEU 97 HD21 0.0139 0.0030 0.0224 2524 LEU 97 HD22 0.0131 0.0025 0.0204 2525 LEU 97 HD23 0.0138 0.0034 0.0203 2526 GLY 98 N 0.0098 0.0001 0.0175 2527 GLY 98 CA 0.0087 -0.0007 0.0162 2528 GLY 98 C 0.0090 -0.0003 0.0150 2529 GLY 98 O 0.0101 0.0007 0.0150 2530 GLY 98 H 0.0097 -0.0001 0.0187 2531 GLY 98 HA3 0.0078 -0.0016 0.0169 2532 GLY 98 HA2 0.0084 -0.0009 0.0154 2533 CYS 99 N 0.0080 -0.0011 0.0139 2534 CYS 99 CA 0.0081 -0.0009 0.0127 2535 CYS 99 C 0.0071 -0.0018 0.0132 2536 CYS 99 O 0.0061 -0.0028 0.0138 2537 CYS 99 CB 0.0077 -0.0010 0.0108 2538 CYS 99 SG 0.0087 -0.0000 0.0099 2539 CYS 99 H 0.0070 -0.0019 0.0140 2540 CYS 99 HA 0.0091 -0.0000 0.0128 2541 CYS 99 HB3 0.0078 -0.0008 0.0099 2542 CYS 99 HB2 0.0067 -0.0019 0.0106 2543 ILE 100 N 0.0079 -0.0011 0.0137 2544 ILE 100 CA 0.0071 -0.0014 0.0143 2545 ILE 100 C 0.0061 -0.0020 0.0130 2546 ILE 100 O 0.0066 -0.0019 0.0117 2547 ILE 100 CB 0.0082 -0.0008 0.0148 2548 ILE 100 CG1 0.0094 -0.0001 0.0159 2549 ILE 100 CG2 0.0075 -0.0011 0.0155 2550 ILE 100 CD1 0.0088 -0.0003 0.0175 2551 ILE 100 H 0.0089 -0.0007 0.0131 2552 ILE 100 HA 0.0065 -0.0016 0.0154 2553 ILE 100 HB 0.0088 -0.0007 0.0137 2554 ILE 100 HG13 0.0102 0.0002 0.0162 2555 ILE 100 HG12 0.0101 0.0001 0.0152 2556 ILE 100 HG21 0.0083 -0.0007 0.0160 2557 ILE 100 HG22 0.0068 -0.0015 0.0147 2558 ILE 100 HG23 0.0068 -0.0013 0.0166 2559 ILE 100 HD11 0.0097 0.0002 0.0183 2560 ILE 100 HD12 0.0081 -0.0006 0.0181 2561 ILE 100 HD13 0.0082 -0.0006 0.0172 2562 ASN 101 N 0.0047 -0.0026 0.0135 2563 ASN 101 CA 0.0035 -0.0032 0.0125 2564 ASN 101 C 0.0035 -0.0032 0.0127 2565 ASN 101 O 0.0043 -0.0028 0.0136 2566 ASN 101 CB 0.0021 -0.0039 0.0129 2567 ASN 101 CG 0.0012 -0.0041 0.0145 2568 ASN 101 OD1 0.0017 -0.0038 0.0155 2569 ASN 101 ND2 -0.0000 -0.0047 0.0148 2570 ASN 101 H 0.0044 -0.0026 0.0147 2571 ASN 101 HA 0.0038 -0.0032 0.0113 2572 ASN 101 HB3 0.0022 -0.0038 0.0129 2573 ASN 101 HB2 0.0013 -0.0043 0.0120 2574 ASN 101 HD22 -0.0007 -0.0049 0.0157 2575 ASN 101 HD21 -0.0004 -0.0049 0.0141 2576 ALA 102 N 0.0005 -0.0018 0.0150 2577 ALA 102 CA -0.0007 -0.0021 0.0160 2578 ALA 102 C -0.0011 -0.0029 0.0182 2579 ALA 102 O -0.0010 -0.0032 0.0193 2580 ALA 102 CB -0.0028 -0.0018 0.0148 2581 ALA 102 H -0.0002 -0.0014 0.0138 2582 ALA 102 HA 0.0002 -0.0021 0.0158 2583 ALA 102 HB1 -0.0037 -0.0020 0.0154 2584 ALA 102 HB2 -0.0026 -0.0013 0.0132 2585 ALA 102 HB3 -0.0038 -0.0018 0.0150 2586 ASP 103 N -0.0015 -0.0031 0.0189 2587 ASP 103 CA -0.0019 -0.0037 0.0209 2588 ASP 103 C 0.0001 -0.0041 0.0223 2589 ASP 103 O -0.0000 -0.0047 0.0241 2590 ASP 103 CB -0.0030 -0.0038 0.0211 2591 ASP 103 CG -0.0048 -0.0033 0.0196 2592 ASP 103 OD1 -0.0060 -0.0032 0.0191 2593 ASP 103 OD2 -0.0049 -0.0031 0.0190 2594 ASP 103 H -0.0016 -0.0027 0.0178 2595 ASP 103 HA -0.0030 -0.0039 0.0216 2596 ASP 103 HB3 -0.0037 -0.0043 0.0226 2597 ASP 103 HB2 -0.0018 -0.0037 0.0209 2598 GLY 104 N 0.0017 -0.0038 0.0199 2599 GLY 104 CA 0.0037 -0.0037 0.0210 2600 GLY 104 C 0.0042 -0.0037 0.0216 2601 GLY 104 O 0.0056 -0.0037 0.0228 2602 GLY 104 H 0.0018 -0.0036 0.0183 2603 GLY 104 HA3 0.0037 -0.0039 0.0223 2604 GLY 104 HA2 0.0049 -0.0033 0.0200 2605 ASN 105 N 0.0030 -0.0037 0.0208 2606 ASN 105 CA 0.0033 -0.0038 0.0212 2607 ASN 105 C 0.0046 -0.0033 0.0196 2608 ASN 105 O 0.0046 -0.0030 0.0178 2609 ASN 105 CB 0.0012 -0.0041 0.0213 2610 ASN 105 CG -0.0001 -0.0046 0.0232 2611 ASN 105 OD1 -0.0016 -0.0049 0.0236 2612 ASN 105 ND2 0.0004 -0.0047 0.0243 2613 ASN 105 H 0.0020 -0.0037 0.0196 2614 ASN 105 HA 0.0041 -0.0039 0.0227 2615 ASN 105 HB3 0.0013 -0.0041 0.0213 2616 ASN 105 HB2 0.0002 -0.0041 0.0199 2617 ASN 105 HD22 -0.0006 -0.0051 0.0255 2618 ASN 105 HD21 0.0015 -0.0045 0.0239 2619 VAL 106 N 0.0044 -0.0039 0.0191 2620 VAL 106 CA 0.0050 -0.0035 0.0185 2621 VAL 106 C 0.0037 -0.0045 0.0181 2622 VAL 106 O 0.0029 -0.0051 0.0193 2623 VAL 106 CB 0.0058 -0.0026 0.0201 2624 VAL 106 CG1 0.0063 -0.0022 0.0196 2625 VAL 106 CG2 0.0070 -0.0015 0.0206 2626 VAL 106 H 0.0041 -0.0040 0.0204 2627 VAL 106 HA 0.0057 -0.0030 0.0173 2628 VAL 106 HB 0.0050 -0.0031 0.0213 2629 VAL 106 HG11 0.0070 -0.0015 0.0207 2630 VAL 106 HG12 0.0055 -0.0029 0.0194 2631 VAL 106 HG13 0.0070 -0.0018 0.0183 2632 VAL 106 HG21 0.0074 -0.0010 0.0218 2633 VAL 106 HG22 0.0078 -0.0010 0.0196 2634 VAL 106 HG23 0.0066 -0.0018 0.0210 2635 ASP 107 N 0.0037 -0.0048 0.0163 2636 ASP 107 CA 0.0028 -0.0056 0.0158 2637 ASP 107 C 0.0035 -0.0050 0.0161 2638 ASP 107 O 0.0048 -0.0040 0.0155 2639 ASP 107 CB 0.0024 -0.0062 0.0138 2640 ASP 107 CG 0.0014 -0.0071 0.0131 2641 ASP 107 OD1 0.0007 -0.0076 0.0143 2642 ASP 107 OD2 0.0014 -0.0073 0.0114 2643 ASP 107 H 0.0045 -0.0043 0.0154 2644 ASP 107 HA 0.0018 -0.0063 0.0166 2645 ASP 107 HB3 0.0034 -0.0055 0.0129 2646 ASP 107 HB2 0.0019 -0.0066 0.0135 2647 TYR 108 N 0.0030 -0.0066 0.0191 2648 TYR 108 CA 0.0044 -0.0051 0.0208 2649 TYR 108 C 0.0041 -0.0050 0.0192 2650 TYR 108 O 0.0054 -0.0034 0.0201 2651 TYR 108 CB 0.0043 -0.0062 0.0244 2652 TYR 108 CG 0.0025 -0.0090 0.0253 2653 TYR 108 CD1 0.0008 -0.0114 0.0255 2654 TYR 108 CD2 0.0024 -0.0093 0.0259 2655 TYR 108 CE1 -0.0008 -0.0140 0.0264 2656 TYR 108 CE2 0.0007 -0.0119 0.0267 2657 TYR 108 CZ -0.0009 -0.0142 0.0269 2658 TYR 108 OH -0.0026 -0.0168 0.0276 2659 TYR 108 H 0.0016 -0.0087 0.0194 2660 TYR 108 HA 0.0059 -0.0030 0.0207 2661 TYR 108 HB3 0.0045 -0.0062 0.0254 2662 TYR 108 HB2 0.0056 -0.0048 0.0258 2663 TYR 108 HD1 0.0009 -0.0112 0.0251 2664 TYR 108 HD2 0.0036 -0.0076 0.0257 2665 TYR 108 HE1 -0.0021 -0.0158 0.0265 2666 TYR 108 HE2 0.0006 -0.0121 0.0271 2667 TYR 108 HH -0.0028 -0.0169 0.0266 2668 HIS 109 N 0.0025 -0.0066 0.0169 2669 HIS 109 CA 0.0022 -0.0066 0.0151 2670 HIS 109 C 0.0034 -0.0041 0.0125 2671 HIS 109 O 0.0038 -0.0033 0.0115 2672 HIS 109 CB -0.0000 -0.0092 0.0135 2673 HIS 109 CG -0.0014 -0.0118 0.0158 2674 HIS 109 ND1 -0.0024 -0.0133 0.0161 2675 HIS 109 CD2 -0.0019 -0.0131 0.0180 2676 HIS 109 CE1 -0.0035 -0.0154 0.0184 2677 HIS 109 NE2 -0.0032 -0.0154 0.0196 2678 HIS 109 H 0.0014 -0.0079 0.0162 2679 HIS 109 HA 0.0026 -0.0064 0.0168 2680 HIS 109 HB3 -0.0002 -0.0091 0.0122 2681 HIS 109 HB2 -0.0005 -0.0093 0.0116 2682 HIS 109 HD1 -0.0023 -0.0128 0.0150 2683 HIS 109 HD2 -0.0014 -0.0125 0.0185 2684 HIS 109 HE1 -0.0044 -0.0169 0.0191 2685 MET 110 N 0.0050 -0.0035 0.0114 2686 MET 110 CA 0.0060 -0.0026 0.0104 2687 MET 110 C 0.0077 -0.0020 0.0113 2688 MET 110 O 0.0079 -0.0024 0.0128 2689 MET 110 CB 0.0054 -0.0027 0.0099 2690 MET 110 CG 0.0037 -0.0032 0.0089 2691 MET 110 SD 0.0036 -0.0025 0.0069 2692 MET 110 CE 0.0045 -0.0017 0.0059 2693 MET 110 H 0.0047 -0.0040 0.0123 2694 MET 110 HA 0.0060 -0.0021 0.0093 2695 MET 110 HB3 0.0061 -0.0021 0.0092 2696 MET 110 HB2 0.0054 -0.0031 0.0110 2697 MET 110 HG3 0.0033 -0.0034 0.0088 2698 MET 110 HG2 0.0029 -0.0039 0.0096 2699 MET 110 HE1 0.0044 -0.0012 0.0046 2700 MET 110 HE2 0.0040 -0.0020 0.0061 2701 MET 110 HE3 0.0057 -0.0012 0.0064 2702 ASN 111 N 0.0088 -0.0011 0.0105 2703 ASN 111 CA 0.0104 -0.0005 0.0112 2704 ASN 111 C 0.0111 0.0000 0.0107 2705 ASN 111 O 0.0110 0.0005 0.0093 2706 ASN 111 CB 0.0114 0.0002 0.0106 2707 ASN 111 CG 0.0111 -0.0002 0.0112 2708 ASN 111 OD1 0.0117 0.0004 0.0107 2709 ASN 111 ND2 0.0102 -0.0011 0.0123 2710 ASN 111 H 0.0085 -0.0008 0.0093 2711 ASN 111 HA 0.0105 -0.0010 0.0125 2712 ASN 111 HB3 0.0126 0.0007 0.0110 2713 ASN 111 HB2 0.0112 0.0006 0.0093 2714 ASN 111 HD22 0.0099 -0.0013 0.0127 2715 ASN 111 HD21 0.0095 -0.0016 0.0127 2716 SER 112 N 0.0103 0.0013 0.0094 2717 SER 112 CA 0.0114 0.0016 0.0093 2718 SER 112 C 0.0124 0.0019 0.0089 2719 SER 112 O 0.0126 0.0019 0.0096 2720 SER 112 CB 0.0118 0.0017 0.0106 2721 SER 112 OG 0.0111 0.0015 0.0109 2722 SER 112 H 0.0102 0.0012 0.0102 2723 SER 112 HA 0.0114 0.0016 0.0087 2724 SER 112 HB3 0.0127 0.0020 0.0106 2725 SER 112 HB2 0.0116 0.0016 0.0113 2726 SER 112 HG 0.0104 0.0013 0.0113 2727 VAL 113 N 0.0130 0.0020 0.0079 2728 VAL 113 CA 0.0139 0.0023 0.0074 2729 VAL 113 C 0.0150 0.0027 0.0073 2730 VAL 113 O 0.0149 0.0026 0.0069 2731 VAL 113 CB 0.0136 0.0022 0.0062 2732 VAL 113 CG1 0.0127 0.0020 0.0064 2733 VAL 113 CG2 0.0133 0.0021 0.0052 2734 VAL 113 H 0.0128 0.0020 0.0073 2735 VAL 113 HA 0.0141 0.0024 0.0081 2736 VAL 113 HB 0.0144 0.0025 0.0059 2737 VAL 113 HG11 0.0125 0.0019 0.0056 2738 VAL 113 HG12 0.0129 0.0020 0.0071 2739 VAL 113 HG13 0.0119 0.0017 0.0067 2740 VAL 113 HG21 0.0130 0.0021 0.0044 2741 VAL 113 HG22 0.0126 0.0019 0.0054 2742 VAL 113 HG23 0.0140 0.0024 0.0049 2743 PRO 114 N 0.0109 0.0017 0.0037 2744 PRO 114 CA 0.0112 0.0020 0.0036 2745 PRO 114 C 0.0113 0.0013 0.0036 2746 PRO 114 O 0.0109 0.0008 0.0038 2747 PRO 114 CB 0.0106 0.0025 0.0037 2748 PRO 114 CG 0.0099 0.0022 0.0041 2749 PRO 114 CD 0.0101 0.0019 0.0040 2750 PRO 114 HA 0.0117 0.0023 0.0033 2751 PRO 114 HB3 0.0106 0.0031 0.0036 2752 PRO 114 HB2 0.0106 0.0026 0.0037 2753 PRO 114 HG3 0.0094 0.0027 0.0042 2754 PRO 114 HG2 0.0097 0.0018 0.0042 2755 PRO 114 HD2 0.0097 0.0014 0.0042 2756 PRO 114 HD3 0.0100 0.0023 0.0040 2757 ILE 115 N 0.0120 0.0012 0.0033 2758 ILE 115 CA 0.0122 0.0007 0.0033 2759 ILE 115 C 0.0119 0.0011 0.0034 2760 ILE 115 O 0.0120 0.0018 0.0032 2761 ILE 115 CB 0.0131 0.0006 0.0029 2762 ILE 115 CG1 0.0134 0.0003 0.0028 2763 ILE 115 CG2 0.0133 0.0001 0.0029 2764 ILE 115 CD1 0.0143 0.0003 0.0025 2765 ILE 115 H 0.0123 0.0017 0.0031 2766 ILE 115 HA 0.0120 0.0001 0.0035 2767 ILE 115 HB 0.0133 0.0012 0.0028 2768 ILE 115 HG13 0.0133 0.0006 0.0029 2769 ILE 115 HG12 0.0133 -0.0003 0.0030 2770 ILE 115 HG21 0.0139 0.0000 0.0027 2771 ILE 115 HG22 0.0131 0.0003 0.0030 2772 ILE 115 HG23 0.0131 -0.0005 0.0031 2773 ILE 115 HD11 0.0145 0.0001 0.0024 2774 ILE 115 HD12 0.0145 0.0009 0.0023 2775 ILE 115 HD13 0.0145 -0.0001 0.0025 2776 GLN 116 N 0.0075 -0.0024 0.0018 2777 GLN 116 CA 0.0058 -0.0024 0.0019 2778 GLN 116 C 0.0062 -0.0037 0.0027 2779 GLN 116 O 0.0070 -0.0052 0.0034 2780 GLN 116 CB 0.0038 -0.0027 0.0023 2781 GLN 116 CG 0.0035 -0.0015 0.0016 2782 GLN 116 CD 0.0013 -0.0008 0.0014 2783 GLN 116 OE1 -0.0000 -0.0018 0.0021 2784 GLN 116 NE2 0.0010 0.0009 0.0005 2785 GLN 116 H 0.0077 -0.0035 0.0024 2786 GLN 116 HA 0.0056 -0.0011 0.0012 2787 GLN 116 HB3 0.0025 -0.0025 0.0023 2788 GLN 116 HB2 0.0038 -0.0041 0.0031 2789 GLN 116 HG3 0.0040 -0.0022 0.0020 2790 GLN 116 HG2 0.0045 -0.0003 0.0009 2791 GLN 116 HE22 -0.0005 0.0014 0.0003 2792 GLN 116 HE21 0.0020 0.0018 -0.0001 2793 GLN 117 N 0.0058 -0.0032 0.0024 2794 GLN 117 CA 0.0062 -0.0043 0.0030 2795 GLN 117 C 0.0042 -0.0045 0.0033 2796 GLN 117 O 0.0030 -0.0031 0.0026 2797 GLN 117 CB 0.0078 -0.0035 0.0024 2798 GLN 117 CG 0.0086 -0.0046 0.0029 2799 GLN 117 CD 0.0095 -0.0064 0.0039 2800 GLN 117 OE1 0.0085 -0.0077 0.0047 2801 GLN 117 NE2 0.0113 -0.0065 0.0038 2802 GLN 117 H 0.0052 -0.0020 0.0018 2803 GLN 117 HA 0.0067 -0.0056 0.0037 2804 GLN 117 HB3 0.0071 -0.0022 0.0017 2805 GLN 117 HB2 0.0091 -0.0031 0.0020 2806 GLN 117 HG3 0.0074 -0.0048 0.0032 2807 GLN 117 HG2 0.0097 -0.0039 0.0024 2808 GLN 117 HE22 0.0119 -0.0077 0.0044 2809 GLN 117 HE21 0.0121 -0.0054 0.0031 2810 GLU 118 N -0.0036 -0.0130 0.0014 2811 GLU 118 CA -0.0053 -0.0140 0.0014 2812 GLU 118 C -0.0031 -0.0136 0.0015 2813 GLU 118 O -0.0007 -0.0151 0.0019 2814 GLU 118 CB -0.0063 -0.0174 0.0019 2815 GLU 118 CG -0.0093 -0.0179 0.0018 2816 GLU 118 CD -0.0108 -0.0211 0.0022 2817 GLU 118 OE1 -0.0093 -0.0233 0.0026 2818 GLU 118 OE2 -0.0137 -0.0213 0.0020 2819 GLU 118 H -0.0022 -0.0145 0.0017 2820 GLU 118 HA -0.0074 -0.0127 0.0011 2821 GLU 118 HB3 -0.0065 -0.0185 0.0021 2822 GLU 118 HB2 -0.0044 -0.0187 0.0022 2823 GLU 118 HG3 -0.0087 -0.0177 0.0018 2824 GLU 118 HG2 -0.0109 -0.0162 0.0014 2825 ILE 119 N -0.0040 -0.0115 0.0011 2826 ILE 119 CA -0.0022 -0.0110 0.0012 2827 ILE 119 C -0.0043 -0.0116 0.0011 2828 ILE 119 O -0.0071 -0.0115 0.0009 2829 ILE 119 CB -0.0008 -0.0077 0.0007 2830 ILE 119 CG1 -0.0032 -0.0051 0.0002 2831 ILE 119 CG2 0.0016 -0.0071 0.0008 2832 ILE 119 CD1 -0.0019 -0.0022 -0.0002 2833 ILE 119 H -0.0061 -0.0105 0.0008 2834 ILE 119 HA -0.0002 -0.0127 0.0015 2835 ILE 119 HB 0.0006 -0.0076 0.0008 2836 ILE 119 HG13 -0.0052 -0.0058 0.0001 2837 ILE 119 HG12 -0.0041 -0.0046 0.0000 2838 ILE 119 HG21 0.0029 -0.0049 0.0005 2839 ILE 119 HG22 0.0034 -0.0090 0.0012 2840 ILE 119 HG23 0.0005 -0.0071 0.0007 2841 ILE 119 HD11 -0.0033 -0.0002 -0.0006 2842 ILE 119 HD12 -0.0020 -0.0025 -0.0002 2843 ILE 119 HD13 0.0005 -0.0017 -0.0001 2844 LEU 120 N -0.0085 -0.0089 -0.0035 2845 LEU 120 CA -0.0077 -0.0083 -0.0033 2846 LEU 120 C -0.0072 -0.0070 -0.0022 2847 LEU 120 O -0.0069 -0.0067 -0.0021 2848 LEU 120 CB -0.0066 -0.0086 -0.0044 2849 LEU 120 CG -0.0071 -0.0098 -0.0055 2850 LEU 120 CD1 -0.0059 -0.0101 -0.0067 2851 LEU 120 CD2 -0.0078 -0.0100 -0.0052 2852 LEU 120 H -0.0080 -0.0090 -0.0039 2853 LEU 120 HA -0.0084 -0.0084 -0.0030 2854 LEU 120 HB3 -0.0059 -0.0080 -0.0043 2855 LEU 120 HB2 -0.0060 -0.0085 -0.0048 2856 LEU 120 HG -0.0078 -0.0103 -0.0056 2857 LEU 120 HD11 -0.0062 -0.0110 -0.0074 2858 LEU 120 HD12 -0.0052 -0.0098 -0.0068 2859 LEU 120 HD13 -0.0053 -0.0097 -0.0067 2860 LEU 120 HD21 -0.0079 -0.0107 -0.0060 2861 LEU 120 HD22 -0.0073 -0.0093 -0.0047 2862 LEU 120 HD23 -0.0088 -0.0101 -0.0045 2863 VAL 121 N -0.0070 -0.0064 -0.0016 2864 VAL 121 CA -0.0063 -0.0052 -0.0008 2865 VAL 121 C -0.0055 -0.0048 -0.0009 2866 VAL 121 O -0.0058 -0.0054 -0.0013 2867 VAL 121 CB -0.0073 -0.0046 0.0006 2868 VAL 121 CG1 -0.0080 -0.0050 0.0008 2869 VAL 121 CG2 -0.0082 -0.0048 0.0010 2870 VAL 121 H -0.0073 -0.0067 -0.0017 2871 VAL 121 HA -0.0056 -0.0049 -0.0010 2872 VAL 121 HB -0.0066 -0.0037 0.0011 2873 VAL 121 HG11 -0.0087 -0.0045 0.0017 2874 VAL 121 HG12 -0.0074 -0.0047 0.0005 2875 VAL 121 HG13 -0.0087 -0.0058 0.0002 2876 VAL 121 HG21 -0.0089 -0.0045 0.0019 2877 VAL 121 HG22 -0.0089 -0.0057 0.0005 2878 VAL 121 HG23 -0.0077 -0.0045 0.0010 2879 LEU 122 N -0.0081 -0.0049 -0.0011 2880 LEU 122 CA -0.0071 -0.0044 -0.0011 2881 LEU 122 C -0.0078 -0.0036 0.0004 2882 LEU 122 O -0.0080 -0.0028 0.0015 2883 LEU 122 CB -0.0053 -0.0036 -0.0012 2884 LEU 122 CG -0.0044 -0.0043 -0.0027 2885 LEU 122 CD1 -0.0027 -0.0035 -0.0026 2886 LEU 122 CD2 -0.0043 -0.0052 -0.0040 2887 LEU 122 H -0.0079 -0.0043 -0.0005 2888 LEU 122 HA -0.0072 -0.0051 -0.0019 2889 LEU 122 HB3 -0.0046 -0.0032 -0.0011 2890 LEU 122 HB2 -0.0053 -0.0029 -0.0004 2891 LEU 122 HG -0.0051 -0.0048 -0.0028 2892 LEU 122 HD11 -0.0021 -0.0039 -0.0036 2893 LEU 122 HD12 -0.0028 -0.0028 -0.0018 2894 LEU 122 HD13 -0.0019 -0.0029 -0.0024 2895 LEU 122 HD21 -0.0037 -0.0057 -0.0050 2896 LEU 122 HD22 -0.0036 -0.0048 -0.0038 2897 LEU 122 HD23 -0.0055 -0.0059 -0.0040 2898 ARG 123 N -0.0082 -0.0037 0.0004 2899 ARG 123 CA -0.0085 -0.0028 0.0018 2900 ARG 123 C -0.0070 -0.0022 0.0016 2901 ARG 123 O -0.0064 -0.0028 0.0005 2902 ARG 123 CB -0.0101 -0.0034 0.0020 2903 ARG 123 CG -0.0105 -0.0025 0.0035 2904 ARG 123 CD -0.0122 -0.0028 0.0041 2905 ARG 123 NE -0.0134 -0.0032 0.0044 2906 ARG 123 CZ -0.0136 -0.0025 0.0053 2907 ARG 123 NH1 -0.0129 -0.0014 0.0064 2908 ARG 123 NH2 -0.0146 -0.0031 0.0052 2909 ARG 123 H -0.0080 -0.0043 -0.0005 2910 ARG 123 HA -0.0086 -0.0022 0.0027 2911 ARG 123 HB3 -0.0101 -0.0041 0.0011 2912 ARG 123 HB2 -0.0111 -0.0038 0.0021 2913 ARG 123 HG3 -0.0100 -0.0016 0.0043 2914 ARG 123 HG2 -0.0097 -0.0023 0.0032 2915 ARG 123 HD3 -0.0123 -0.0021 0.0052 2916 ARG 123 HD2 -0.0126 -0.0035 0.0035 2917 ARG 123 HH22 -0.0148 -0.0026 0.0060 2918 ARG 123 HH21 -0.0151 -0.0040 0.0043 2919 ARG 123 HH12 -0.0131 -0.0009 0.0072 2920 ARG 123 HH11 -0.0121 -0.0009 0.0066 2921 ARG 123 HE -0.0140 -0.0041 0.0035 2922 ARG 124 N -0.0054 -0.0020 0.0021 2923 ARG 124 CA -0.0041 -0.0017 0.0022 2924 ARG 124 C -0.0041 -0.0020 0.0015 2925 ARG 124 O -0.0050 -0.0020 0.0019 2926 ARG 124 CB -0.0037 -0.0011 0.0036 2927 ARG 124 CG -0.0036 -0.0009 0.0043 2928 ARG 124 CD -0.0032 -0.0003 0.0057 2929 ARG 124 NE -0.0034 -0.0001 0.0063 2930 ARG 124 CZ -0.0027 0.0000 0.0062 2931 ARG 124 NH1 -0.0016 -0.0001 0.0054 2932 ARG 124 NH2 -0.0031 0.0002 0.0069 2933 ARG 124 H -0.0059 -0.0018 0.0030 2934 ARG 124 HA -0.0033 -0.0018 0.0016 2935 ARG 124 HB3 -0.0027 -0.0010 0.0036 2936 ARG 124 HB2 -0.0045 -0.0011 0.0041 2937 ARG 124 HG3 -0.0045 -0.0011 0.0042 2938 ARG 124 HG2 -0.0028 -0.0009 0.0037 2939 ARG 124 HD3 -0.0021 -0.0001 0.0057 2940 ARG 124 HD2 -0.0037 -0.0002 0.0062 2941 ARG 124 HH22 -0.0026 0.0003 0.0069 2942 ARG 124 HH21 -0.0040 0.0003 0.0074 2943 ARG 124 HH12 -0.0010 -0.0001 0.0052 2944 ARG 124 HH11 -0.0012 -0.0002 0.0049 2945 ARG 124 HE -0.0042 0.0001 0.0070 2946 GLU 125 N -0.0031 -0.0022 0.0006 2947 GLU 125 CA -0.0029 -0.0024 -0.0001 2948 GLU 125 C -0.0014 -0.0022 -0.0002 2949 GLU 125 O -0.0007 -0.0024 -0.0010 2950 GLU 125 CB -0.0036 -0.0030 -0.0013 2951 GLU 125 CG -0.0035 -0.0032 -0.0021 2952 GLU 125 CD -0.0043 -0.0038 -0.0033 2953 GLU 125 OE1 -0.0056 -0.0040 -0.0031 2954 GLU 125 OE2 -0.0037 -0.0041 -0.0043 2955 GLU 125 H -0.0023 -0.0021 0.0004 2956 GLU 125 HA -0.0034 -0.0023 0.0005 2957 GLU 125 HB3 -0.0033 -0.0032 -0.0020 2958 GLU 125 HB2 -0.0047 -0.0031 -0.0011 2959 GLU 125 HG3 -0.0038 -0.0031 -0.0014 2960 GLU 125 HG2 -0.0024 -0.0032 -0.0024 2961 PRO 126 N -0.0011 -0.0033 -0.0007 2962 PRO 126 CA -0.0024 -0.0027 0.0004 2963 PRO 126 C -0.0030 -0.0017 0.0021 2964 PRO 126 O -0.0021 -0.0014 0.0026 2965 PRO 126 CB -0.0011 -0.0025 0.0006 2966 PRO 126 CG 0.0011 -0.0025 0.0004 2967 PRO 126 CD 0.0009 -0.0033 -0.0009 2968 PRO 126 HA -0.0038 -0.0032 -0.0003 2969 PRO 126 HB3 -0.0014 -0.0031 -0.0004 2970 PRO 126 HB2 -0.0014 -0.0017 0.0019 2971 PRO 126 HG3 0.0021 -0.0026 0.0001 2972 PRO 126 HG2 0.0015 -0.0017 0.0017 2973 PRO 126 HD2 0.0021 -0.0032 -0.0008 2974 PRO 126 HD3 0.0011 -0.0041 -0.0023 2975 PRO 127 N -0.0046 -0.0012 0.0031 2976 PRO 127 CA -0.0051 -0.0002 0.0048 2977 PRO 127 C -0.0033 0.0007 0.0061 2978 PRO 127 O -0.0020 0.0007 0.0060 2979 PRO 127 CB -0.0067 0.0002 0.0055 2980 PRO 127 CG -0.0076 -0.0009 0.0038 2981 PRO 127 CD -0.0058 -0.0015 0.0026 2982 PRO 127 HA -0.0059 -0.0003 0.0047 2983 PRO 127 HB3 -0.0079 0.0006 0.0064 2984 PRO 127 HB2 -0.0060 0.0006 0.0062 2985 PRO 127 HG3 -0.0088 -0.0012 0.0034 2986 PRO 127 HG2 -0.0084 -0.0008 0.0040 2987 PRO 127 HD2 -0.0050 -0.0014 0.0027 2988 PRO 127 HD3 -0.0063 -0.0024 0.0012 2989 HIS 128 N -0.0037 0.0008 0.0061 2990 HIS 128 CA -0.0021 0.0017 0.0074 2991 HIS 128 C -0.0001 0.0011 0.0067 2992 HIS 128 O 0.0013 0.0018 0.0077 2993 HIS 128 CB -0.0019 0.0025 0.0086 2994 HIS 128 CG -0.0038 0.0029 0.0092 2995 HIS 128 ND1 -0.0055 0.0033 0.0097 2996 HIS 128 CD2 -0.0043 0.0030 0.0094 2997 HIS 128 CE1 -0.0069 0.0035 0.0100 2998 HIS 128 NE2 -0.0063 0.0034 0.0099 2999 HIS 128 H -0.0049 0.0009 0.0062 3000 HIS 128 HA -0.0027 0.0022 0.0081 3001 HIS 128 HB3 -0.0010 0.0032 0.0097 3002 HIS 128 HB2 -0.0009 0.0021 0.0080 3003 HIS 128 HD1 -0.0057 0.0032 0.0096 3004 HIS 128 HD2 -0.0034 0.0029 0.0091 3005 HIS 128 HE1 -0.0084 0.0038 0.0104 3006 SER 129 N 0.0001 -0.0000 0.0050 3007 SER 129 CA 0.0019 -0.0006 0.0042 3008 SER 129 C 0.0024 -0.0002 0.0048 3009 SER 129 O 0.0012 -0.0003 0.0046 3010 SER 129 CB 0.0017 -0.0019 0.0023 3011 SER 129 OG 0.0035 -0.0024 0.0016 3012 SER 129 H -0.0011 -0.0005 0.0043 3013 SER 129 HA 0.0031 -0.0004 0.0046 3014 SER 129 HB3 0.0004 -0.0022 0.0019 3015 SER 129 HB2 0.0015 -0.0022 0.0019 3016 SER 129 HG 0.0034 -0.0032 0.0004 3017 PRO 130 N 0.0048 -0.0019 0.0065 3018 PRO 130 CA 0.0044 -0.0019 0.0067 3019 PRO 130 C 0.0043 -0.0022 0.0047 3020 PRO 130 O 0.0035 -0.0023 0.0048 3021 PRO 130 CB 0.0062 -0.0015 0.0080 3022 PRO 130 CG 0.0079 -0.0014 0.0074 3023 PRO 130 CD 0.0068 -0.0016 0.0071 3024 PRO 130 HA 0.0030 -0.0020 0.0076 3025 PRO 130 HB3 0.0058 -0.0014 0.0096 3026 PRO 130 HB2 0.0066 -0.0015 0.0078 3027 PRO 130 HG3 0.0091 -0.0011 0.0086 3028 PRO 130 HG2 0.0087 -0.0015 0.0060 3029 PRO 130 HD2 0.0076 -0.0016 0.0059 3030 PRO 130 HD3 0.0067 -0.0014 0.0085 3031 ASN 131 N 0.0050 -0.0024 0.0030 3032 ASN 131 CA 0.0054 -0.0026 0.0011 3033 ASN 131 C 0.0048 -0.0029 -0.0009 3034 ASN 131 O 0.0052 -0.0031 -0.0025 3035 ASN 131 CB 0.0077 -0.0023 0.0010 3036 ASN 131 CG 0.0093 -0.0021 0.0007 3037 ASN 131 OD1 0.0089 -0.0022 0.0006 3038 ASN 131 ND2 0.0113 -0.0019 0.0005 3039 ASN 131 H 0.0055 -0.0023 0.0030 3040 ASN 131 HA 0.0045 -0.0027 0.0011 3041 ASN 131 HB3 0.0081 -0.0020 0.0025 3042 ASN 131 HB2 0.0079 -0.0024 -0.0002 3043 ASN 131 HD22 0.0123 -0.0018 0.0004 3044 ASN 131 HD21 0.0117 -0.0018 0.0006 3045 SER 132 N 0.0037 -0.0024 -0.0006 3046 SER 132 CA 0.0031 -0.0027 -0.0020 3047 SER 132 C 0.0014 -0.0030 -0.0017 3048 SER 132 O 0.0010 -0.0028 -0.0005 3049 SER 132 CB 0.0043 -0.0026 -0.0025 3050 SER 132 OG 0.0044 -0.0024 -0.0014 3051 SER 132 H 0.0035 -0.0023 0.0005 3052 SER 132 HA 0.0031 -0.0029 -0.0031 3053 SER 132 HB3 0.0056 -0.0024 -0.0026 3054 SER 132 HB2 0.0040 -0.0028 -0.0037 3055 SER 132 HG 0.0034 -0.0026 -0.0016 3056 PHE 133 N 0.0003 -0.0033 -0.0028 3057 PHE 133 CA -0.0014 -0.0035 -0.0027 3058 PHE 133 C -0.0020 -0.0039 -0.0043 3059 PHE 133 O -0.0013 -0.0039 -0.0055 3060 PHE 133 CB -0.0023 -0.0036 -0.0023 3061 PHE 133 CG -0.0019 -0.0033 -0.0008 3062 PHE 133 CD1 -0.0005 -0.0031 -0.0008 3063 PHE 133 CD2 -0.0028 -0.0032 0.0007 3064 PHE 133 CE1 -0.0001 -0.0028 0.0006 3065 PHE 133 CE2 -0.0024 -0.0030 0.0021 3066 PHE 133 CZ -0.0010 -0.0028 0.0020 3067 PHE 133 H 0.0007 -0.0034 -0.0038 3068 PHE 133 HA -0.0017 -0.0034 -0.0017 3069 PHE 133 HB3 -0.0036 -0.0038 -0.0023 3070 PHE 133 HB2 -0.0022 -0.0037 -0.0034 3071 PHE 133 HD1 0.0002 -0.0032 -0.0019 3072 PHE 133 HD2 -0.0038 -0.0034 0.0007 3073 PHE 133 HE1 0.0009 -0.0027 0.0006 3074 PHE 133 HE2 -0.0031 -0.0029 0.0032 3075 PHE 133 HZ -0.0007 -0.0026 0.0031 3076 ARG 134 N -0.0034 -0.0027 -0.0029 3077 ARG 134 CA -0.0042 -0.0037 -0.0040 3078 ARG 134 C -0.0054 -0.0045 -0.0040 3079 ARG 134 O -0.0059 -0.0044 -0.0028 3080 ARG 134 CB -0.0048 -0.0039 -0.0034 3081 ARG 134 CG -0.0057 -0.0049 -0.0045 3082 ARG 134 CD -0.0065 -0.0052 -0.0039 3083 ARG 134 NE -0.0055 -0.0045 -0.0038 3084 ARG 134 CZ -0.0052 -0.0046 -0.0047 3085 ARG 134 NH1 -0.0057 -0.0055 -0.0061 3086 ARG 134 NH2 -0.0043 -0.0039 -0.0043 3087 ARG 134 H -0.0039 -0.0027 -0.0018 3088 ARG 134 HA -0.0036 -0.0038 -0.0052 3089 ARG 134 HB3 -0.0055 -0.0039 -0.0022 3090 ARG 134 HB2 -0.0040 -0.0033 -0.0033 3091 ARG 134 HG3 -0.0050 -0.0049 -0.0056 3092 ARG 134 HG2 -0.0065 -0.0056 -0.0049 3093 ARG 134 HD3 -0.0074 -0.0060 -0.0045 3094 ARG 134 HD2 -0.0070 -0.0051 -0.0026 3095 ARG 134 HH22 -0.0044 -0.0040 -0.0045 3096 ARG 134 HH21 -0.0037 -0.0032 -0.0035 3097 ARG 134 HH12 -0.0055 -0.0057 -0.0068 3098 ARG 134 HH11 -0.0063 -0.0060 -0.0064 3099 ARG 134 HE -0.0051 -0.0038 -0.0027 3100 LEU 135 N -0.0059 -0.0054 -0.0054 3101 LEU 135 CA -0.0072 -0.0063 -0.0056 3102 LEU 135 C -0.0085 -0.0068 -0.0046 3103 LEU 135 O -0.0087 -0.0070 -0.0049 3104 LEU 135 CB -0.0074 -0.0071 -0.0073 3105 LEU 135 CG -0.0064 -0.0069 -0.0084 3106 LEU 135 CD1 -0.0066 -0.0076 -0.0101 3107 LEU 135 CD2 -0.0068 -0.0069 -0.0079 3108 LEU 135 H -0.0053 -0.0054 -0.0064 3109 LEU 135 HA -0.0072 -0.0061 -0.0051 3110 LEU 135 HB3 -0.0085 -0.0078 -0.0074 3111 LEU 135 HB2 -0.0072 -0.0071 -0.0078 3112 LEU 135 HG -0.0053 -0.0061 -0.0083 3113 LEU 135 HD11 -0.0058 -0.0074 -0.0109 3114 LEU 135 HD12 -0.0065 -0.0077 -0.0105 3115 LEU 135 HD13 -0.0076 -0.0084 -0.0103 3116 LEU 135 HD21 -0.0060 -0.0066 -0.0085 3117 LEU 135 HD22 -0.0078 -0.0077 -0.0082 3118 LEU 135 HD23 -0.0069 -0.0065 -0.0066 3119 GLU 136 N -0.0092 -0.0090 -0.0016 3120 GLU 136 CA -0.0115 -0.0097 -0.0005 3121 GLU 136 C -0.0111 -0.0112 -0.0012 3122 GLU 136 O -0.0094 -0.0105 -0.0019 3123 GLU 136 CB -0.0125 -0.0072 0.0008 3124 GLU 136 CG -0.0151 -0.0075 0.0022 3125 GLU 136 CD -0.0162 -0.0050 0.0035 3126 GLU 136 OE1 -0.0160 -0.0039 0.0037 3127 GLU 136 OE2 -0.0174 -0.0043 0.0044 3128 GLU 136 H -0.0080 -0.0080 -0.0020 3129 GLU 136 HA -0.0127 -0.0109 -0.0002 3130 GLU 136 HB3 -0.0122 -0.0066 0.0008 3131 GLU 136 HB2 -0.0116 -0.0056 0.0008 3132 GLU 136 HG3 -0.0154 -0.0081 0.0022 3133 GLU 136 HG2 -0.0160 -0.0090 0.0022 3134 LYS 137 N -0.0126 -0.0134 -0.0010 3135 LYS 137 CA -0.0125 -0.0148 -0.0014 3136 LYS 137 C -0.0144 -0.0139 -0.0001 3137 LYS 137 O -0.0164 -0.0141 0.0010 3138 LYS 137 CB -0.0130 -0.0177 -0.0020 3139 LYS 137 CG -0.0122 -0.0193 -0.0029 3140 LYS 137 CD -0.0137 -0.0218 -0.0028 3141 LYS 137 CE -0.0136 -0.0240 -0.0035 3142 LYS 137 NZ -0.0151 -0.0264 -0.0034 3143 LYS 137 H -0.0140 -0.0139 -0.0003 3144 LYS 137 HA -0.0108 -0.0143 -0.0022 3145 LYS 137 HB3 -0.0149 -0.0183 -0.0011 3146 LYS 137 HB2 -0.0121 -0.0183 -0.0027 3147 LYS 137 HG3 -0.0104 -0.0196 -0.0040 3148 LYS 137 HG2 -0.0121 -0.0181 -0.0026 3149 LYS 137 HD3 -0.0132 -0.0224 -0.0033 3150 LYS 137 HD2 -0.0156 -0.0215 -0.0017 3151 LYS 137 HE3 -0.0141 -0.0235 -0.0031 3152 LYS 137 HE2 -0.0118 -0.0245 -0.0047 3153 LYS 137 HZ1 -0.0146 -0.0268 -0.0038 3154 LYS 137 HZ2 -0.0150 -0.0280 -0.0039 3155 LYS 137 HZ3 -0.0168 -0.0261 -0.0023 3156 ILE 138 N -0.0124 -0.0117 0.0026 3157 ILE 138 CA -0.0135 -0.0095 0.0021 3158 ILE 138 C -0.0117 -0.0095 0.0022 3159 ILE 138 O -0.0094 -0.0109 0.0027 3160 ILE 138 CB -0.0133 -0.0065 0.0016 3161 ILE 138 CG1 -0.0103 -0.0054 0.0017 3162 ILE 138 CG2 -0.0155 -0.0062 0.0014 3163 ILE 138 CD1 -0.0101 -0.0023 0.0012 3164 ILE 138 H -0.0102 -0.0117 0.0027 3165 ILE 138 HA -0.0157 -0.0100 0.0020 3166 ILE 138 HB -0.0141 -0.0050 0.0013 3167 ILE 138 HG13 -0.0088 -0.0058 0.0019 3168 ILE 138 HG12 -0.0095 -0.0067 0.0020 3169 ILE 138 HG21 -0.0156 -0.0040 0.0010 3170 ILE 138 HG22 -0.0176 -0.0069 0.0013 3171 ILE 138 HG23 -0.0149 -0.0076 0.0016 3172 ILE 138 HD11 -0.0078 -0.0016 0.0012 3173 ILE 138 HD12 -0.0110 -0.0010 0.0008 3174 ILE 138 HD13 -0.0112 -0.0018 0.0010 3175 LEU 139 N -0.0128 -0.0081 0.0019 3176 LEU 139 CA -0.0114 -0.0078 0.0020 3177 LEU 139 C -0.0105 -0.0046 0.0015 3178 LEU 139 O -0.0123 -0.0028 0.0011 3179 LEU 139 CB -0.0137 -0.0086 0.0019 3180 LEU 139 CG -0.0125 -0.0092 0.0021 3181 LEU 139 CD1 -0.0104 -0.0117 0.0027 3182 LEU 139 CD2 -0.0150 -0.0096 0.0020 3183 LEU 139 H -0.0145 -0.0068 0.0015 3184 LEU 139 HA -0.0095 -0.0091 0.0024 3185 LEU 139 HB3 -0.0153 -0.0070 0.0015 3186 LEU 139 HB2 -0.0148 -0.0106 0.0022 3187 LEU 139 HG -0.0113 -0.0073 0.0019 3188 LEU 139 HD11 -0.0108 -0.0131 0.0029 3189 LEU 139 HD12 -0.0082 -0.0110 0.0028 3190 LEU 139 HD13 -0.0107 -0.0130 0.0029 3191 LEU 139 HD21 -0.0142 -0.0101 0.0021 3192 LEU 139 HD22 -0.0164 -0.0114 0.0022 3193 LEU 139 HD23 -0.0163 -0.0077 0.0015 3194 VAL 140 N -0.0024 -0.0022 0.0043 3195 VAL 140 CA -0.0014 -0.0004 0.0029 3196 VAL 140 C 0.0008 -0.0003 0.0028 3197 VAL 140 O 0.0021 -0.0016 0.0038 3198 VAL 140 CB -0.0009 0.0001 0.0025 3199 VAL 140 CG1 -0.0030 0.0004 0.0023 3200 VAL 140 CG2 0.0007 -0.0013 0.0035 3201 VAL 140 H -0.0013 -0.0033 0.0050 3202 VAL 140 HA -0.0026 0.0006 0.0022 3203 VAL 140 HB 0.0000 0.0014 0.0016 3204 VAL 140 HG11 -0.0026 0.0010 0.0019 3205 VAL 140 HG12 -0.0041 0.0014 0.0016 3206 VAL 140 HG13 -0.0040 -0.0008 0.0032 3207 VAL 140 HG21 0.0009 -0.0009 0.0033 3208 VAL 140 HG22 0.0001 -0.0026 0.0046 3209 VAL 140 HG23 0.0024 -0.0013 0.0035 3210 SER 141 N 0.0012 0.0012 0.0017 3211 SER 141 CA 0.0032 0.0016 0.0014 3212 SER 141 C 0.0051 0.0023 0.0008 3213 SER 141 O 0.0049 0.0038 -0.0003 3214 SER 141 CB 0.0026 0.0030 0.0003 3215 SER 141 OG 0.0009 0.0023 0.0008 3216 SER 141 H -0.0001 0.0022 0.0009 3217 SER 141 HA 0.0038 0.0004 0.0023 3218 SER 141 HB3 0.0041 0.0033 0.0001 3219 SER 141 HB2 0.0020 0.0043 -0.0006 3220 SER 141 HG -0.0005 0.0026 0.0007 3221 VAL 142 N 0.0096 0.0004 0.0022 3222 VAL 142 CA 0.0107 0.0006 0.0022 3223 VAL 142 C 0.0114 0.0012 0.0020 3224 VAL 142 O 0.0124 0.0015 0.0020 3225 VAL 142 CB 0.0113 -0.0004 0.0024 3226 VAL 142 CG1 0.0108 -0.0009 0.0025 3227 VAL 142 CG2 0.0113 -0.0013 0.0025 3228 VAL 142 H 0.0094 -0.0002 0.0023 3229 VAL 142 HA 0.0107 0.0011 0.0021 3230 VAL 142 HB 0.0121 -0.0002 0.0023 3231 VAL 142 HG11 0.0113 -0.0016 0.0026 3232 VAL 142 HG12 0.0108 -0.0003 0.0024 3233 VAL 142 HG13 0.0100 -0.0012 0.0025 3234 VAL 142 HG21 0.0117 -0.0020 0.0027 3235 VAL 142 HG22 0.0105 -0.0015 0.0026 3236 VAL 142 HG23 0.0117 -0.0010 0.0025 3237 GLY 143 N 0.0110 0.0014 0.0020 3238 GLY 143 CA 0.0116 0.0018 0.0019 3239 GLY 143 C 0.0110 0.0015 0.0020 3240 GLY 143 O 0.0102 0.0009 0.0021 3241 GLY 143 H 0.0103 0.0011 0.0021 3242 GLY 143 HA3 0.0125 0.0016 0.0020 3243 GLY 143 HA2 0.0116 0.0027 0.0017 3244 CYS 144 N 0.0135 0.0031 0.0050 3245 CYS 144 CA 0.0131 0.0027 0.0052 3246 CYS 144 C 0.0129 0.0024 0.0047 3247 CYS 144 O 0.0129 0.0024 0.0045 3248 CYS 144 CB 0.0129 0.0027 0.0057 3249 CYS 144 SG 0.0131 0.0031 0.0062 3250 CYS 144 H 0.0135 0.0031 0.0050 3251 CYS 144 HA 0.0131 0.0027 0.0051 3252 CYS 144 HB3 0.0125 0.0025 0.0058 3253 CYS 144 HB2 0.0128 0.0027 0.0058 3254 THR 145 N 0.0125 0.0021 0.0047 3255 THR 145 CA 0.0123 0.0017 0.0043 3256 THR 145 C 0.0118 0.0014 0.0046 3257 THR 145 O 0.0118 0.0015 0.0049 3258 THR 145 CB 0.0124 0.0017 0.0038 3259 THR 145 OG1 0.0122 0.0014 0.0034 3260 THR 145 CG2 0.0123 0.0016 0.0038 3261 THR 145 H 0.0125 0.0021 0.0049 3262 THR 145 HA 0.0123 0.0017 0.0042 3263 THR 145 HB 0.0127 0.0019 0.0036 3264 THR 145 HG1 0.0124 0.0015 0.0032 3265 THR 145 HG21 0.0124 0.0016 0.0034 3266 THR 145 HG22 0.0125 0.0018 0.0041 3267 THR 145 HG23 0.0120 0.0014 0.0039 3268 CYS 146 N 0.0114 0.0015 0.0059 3269 CYS 146 CA 0.0105 0.0010 0.0062 3270 CYS 146 C 0.0102 0.0011 0.0052 3271 CYS 146 O 0.0099 0.0011 0.0041 3272 CYS 146 CB 0.0095 0.0004 0.0065 3273 CYS 146 SG 0.0084 -0.0003 0.0072 3274 CYS 146 H 0.0111 0.0015 0.0053 3275 CYS 146 HA 0.0108 0.0010 0.0071 3276 CYS 146 HB3 0.0091 0.0004 0.0057 3277 CYS 146 HB2 0.0097 0.0004 0.0072 3278 VAL 147 N 0.0103 0.0010 0.0054 3279 VAL 147 CA 0.0099 0.0011 0.0045 3280 VAL 147 C 0.0090 0.0005 0.0050 3281 VAL 147 O 0.0090 0.0002 0.0061 3282 VAL 147 CB 0.0109 0.0016 0.0043 3283 VAL 147 CG1 0.0118 0.0023 0.0036 3284 VAL 147 CG2 0.0115 0.0017 0.0054 3285 VAL 147 H 0.0105 0.0010 0.0063 3286 VAL 147 HA 0.0096 0.0011 0.0037 3287 VAL 147 HB 0.0106 0.0016 0.0036 3288 VAL 147 HG11 0.0125 0.0027 0.0034 3289 VAL 147 HG12 0.0115 0.0023 0.0027 3290 VAL 147 HG13 0.0122 0.0023 0.0042 3291 VAL 147 HG21 0.0123 0.0021 0.0052 3292 VAL 147 HG22 0.0117 0.0016 0.0062 3293 VAL 147 HG23 0.0109 0.0013 0.0058 3294 THR 148 N 0.0080 0.0015 0.0043 3295 THR 148 CA 0.0072 0.0011 0.0045 3296 THR 148 C 0.0087 0.0016 0.0046 3297 THR 148 O 0.0099 0.0024 0.0036 3298 THR 148 CB 0.0059 0.0013 0.0028 3299 THR 148 OG1 0.0067 0.0022 0.0013 3300 THR 148 CG2 0.0043 0.0008 0.0026 3301 THR 148 H 0.0079 0.0019 0.0031 3302 THR 148 HA 0.0065 0.0004 0.0056 3303 THR 148 HB 0.0054 0.0011 0.0029 3304 THR 148 HG1 0.0076 0.0025 0.0013 3305 THR 148 HG21 0.0034 0.0010 0.0014 3306 THR 148 HG22 0.0036 0.0002 0.0037 3307 THR 148 HG23 0.0047 0.0010 0.0025 3308 PRO 149 N 0.0086 0.0011 0.0059 3309 PRO 149 CA 0.0100 0.0015 0.0061 3310 PRO 149 C 0.0099 0.0021 0.0045 3311 PRO 149 O 0.0085 0.0019 0.0035 3312 PRO 149 CB 0.0095 0.0007 0.0077 3313 PRO 149 CG 0.0076 -0.0000 0.0078 3314 PRO 149 CD 0.0074 0.0002 0.0071 3315 PRO 149 HA 0.0113 0.0018 0.0063 3316 PRO 149 HB3 0.0103 0.0005 0.0088 3317 PRO 149 HB2 0.0098 0.0008 0.0077 3318 PRO 149 HG3 0.0072 -0.0007 0.0091 3319 PRO 149 HG2 0.0068 0.0000 0.0070 3320 PRO 149 HD2 0.0060 -0.0001 0.0066 3321 PRO 149 HD3 0.0077 -0.0001 0.0082 3322 VAL 151 N 0.0101 0.0052 0.0022 3323 VAL 151 CA 0.0082 0.0064 0.0010 3324 VAL 151 C 0.0060 0.0028 0.0028 3325 VAL 151 O 0.0078 -0.0002 0.0051 3326 VAL 151 CB 0.0121 0.0085 0.0006 3327 VAL 151 CG1 0.0105 0.0097 -0.0005 3328 VAL 151 CG2 0.0145 0.0121 -0.0011 3329 VAL 151 H 0.0128 0.0037 0.0037 3330 VAL 151 HA 0.0057 0.0085 -0.0008 3331 VAL 151 HB 0.0145 0.0064 0.0024 3332 VAL 151 HG11 0.0133 0.0113 -0.0009 3333 VAL 151 HG12 0.0094 0.0072 0.0008 3334 VAL 151 HG13 0.0078 0.0116 -0.0023 3335 VAL 151 HG21 0.0172 0.0135 -0.0015 3336 VAL 151 HG22 0.0123 0.0142 -0.0030 3337 VAL 151 HG23 0.0161 0.0113 -0.0003 3338 HIS 152 N 0.0021 0.0032 0.0017 3339 HIS 152 CA -0.0004 0.0002 0.0031 3340 HIS 152 C -0.0037 0.0023 0.0011 3341 HIS 152 O -0.0048 0.0055 -0.0011 3342 HIS 152 CB -0.0028 -0.0032 0.0047 3343 HIS 152 CG -0.0059 -0.0020 0.0033 3344 HIS 152 ND1 -0.0044 -0.0001 0.0024 3345 HIS 152 CD2 -0.0106 -0.0026 0.0027 3346 HIS 152 CE1 -0.0080 0.0004 0.0014 3347 HIS 152 NE2 -0.0119 -0.0011 0.0015 3348 HIS 152 H 0.0007 0.0057 -0.0001 3349 HIS 152 HA 0.0020 -0.0009 0.0043 3350 HIS 152 HB3 -0.0003 -0.0048 0.0062 3351 HIS 152 HB2 -0.0047 -0.0053 0.0056 3352 HIS 152 HD1 -0.0012 0.0007 0.0026 3353 HIS 152 HD2 -0.0130 -0.0041 0.0031 3354 HIS 152 HE1 -0.0079 0.0018 0.0005 3355 HIS 153 N -0.0149 0.0016 -0.0014 3356 HIS 153 CA -0.0134 0.0012 -0.0011 3357 HIS 153 C -0.0121 0.0022 -0.0014 3358 HIS 153 O -0.0125 0.0035 -0.0020 3359 HIS 153 CB -0.0136 0.0016 -0.0013 3360 HIS 153 CG -0.0124 0.0009 -0.0009 3361 HIS 153 ND1 -0.0108 0.0011 -0.0008 3362 HIS 153 CD2 -0.0126 -0.0001 -0.0005 3363 HIS 153 CE1 -0.0101 0.0003 -0.0004 3364 HIS 153 NE2 -0.0112 -0.0004 -0.0002 3365 HIS 153 H -0.0152 0.0026 -0.0019 3366 HIS 153 HA -0.0132 0.0000 -0.0006 3367 HIS 153 HB3 -0.0135 0.0028 -0.0018 3368 HIS 153 HB2 -0.0148 0.0012 -0.0012 3369 HIS 153 HD1 -0.0101 0.0018 -0.0010 3370 HIS 153 HD2 -0.0138 -0.0005 -0.0004 3371 HIS 153 HE1 -0.0088 0.0003 -0.0003 3372 ALA 155 N 0.0010 0.0143 0.0006 3373 ALA 155 CA 0.0143 0.0202 -0.0007 3374 ALA 155 C 0.0235 0.0117 -0.0062 3375 ALA 155 O 0.0181 0.0049 -0.0073 3376 ALA 155 CB 0.0133 0.0328 0.0043 3377 ALA 155 OXT 0.0352 0.0138 -0.0085 3378 ALA 155 H -0.0047 0.0146 0.0021 3379 ALA 155 HA 0.0189 0.0222 -0.0011 3380 ALA 155 HB1 0.0229 0.0377 0.0037 3381 ALA 155 HB2 0.0076 0.0390 0.0081 3382 ALA 155 HB3 0.0090 0.0314 0.0049 3383 ILE 150 N 0.0117 0.0036 0.0037 3384 ILE 150 CA 0.0113 0.0030 0.0032 3385 ILE 150 C 0.0103 0.0032 0.0032 3386 ILE 150 O 0.0101 0.0036 0.0034 3387 ILE 150 CB 0.0116 0.0025 0.0028 3388 ILE 150 CG1 0.0125 0.0022 0.0027 3389 ILE 150 CG2 0.0110 0.0019 0.0023 3390 ILE 150 CD1 0.0130 0.0018 0.0025 3391 ILE 150 H 0.0118 0.0039 0.0039 3392 ILE 150 HA 0.0113 0.0027 0.0029 3393 ILE 150 HB 0.0117 0.0028 0.0031 3394 ILE 150 HG13 0.0129 0.0026 0.0031 3395 ILE 150 HG12 0.0125 0.0018 0.0024 3396 ILE 150 HG21 0.0104 0.0021 0.0024 3397 ILE 150 HG22 0.0109 0.0016 0.0020 3398 ILE 150 HG23 0.0113 0.0016 0.0021 3399 ILE 150 HD11 0.0137 0.0016 0.0025 3400 ILE 150 HD12 0.0130 0.0021 0.0027 3401 ILE 150 HD13 0.0127 0.0013 0.0021 3402 VAL 154 N -0.0128 0.0009 -0.0019 3403 VAL 154 CA -0.0137 0.0011 -0.0011 3404 VAL 154 C -0.0095 0.0028 -0.0014 3405 VAL 154 O -0.0061 0.0030 -0.0029 3406 VAL 154 CB -0.0161 -0.0021 -0.0038 3407 VAL 154 CG1 -0.0171 -0.0023 -0.0035 3408 VAL 154 CG2 -0.0203 -0.0037 -0.0035 3409 VAL 154 H -0.0115 -0.0006 -0.0045 3410 VAL 154 HA -0.0157 0.0025 0.0016 3411 VAL 154 HB -0.0142 -0.0035 -0.0065 3412 VAL 154 HG11 -0.0143 -0.0018 -0.0043 3413 VAL 154 HG12 -0.0188 -0.0008 -0.0008 3414 VAL 154 HG13 -0.0192 -0.0046 -0.0052 3415 VAL 154 HG21 -0.0199 -0.0037 -0.0038 3416 VAL 154 HG22 -0.0219 -0.0060 -0.0055 3417 VAL 154 HG23 -0.0225 -0.0025 -0.0009 3418 ASN 40 N -0.0109 0.0042 -0.0487 3419 ASN 40 CA -0.0054 0.0047 -0.0457 3420 ASN 40 C -0.0062 0.0026 -0.0398 3421 ASN 40 O -0.0083 0.0010 -0.0365 3422 ASN 40 CB -0.0021 0.0055 -0.0455 3423 ASN 40 CG 0.0005 0.0078 -0.0507 3424 ASN 40 OD1 0.0014 0.0092 -0.0542 3425 ASN 40 ND2 0.0020 0.0084 -0.0514 3426 ASN 40 H1 -0.0104 0.0056 -0.0525 3427 ASN 40 H2 -0.0129 0.0038 -0.0491 3428 ASN 40 HA -0.0030 0.0059 -0.0476 3429 ASN 40 HB2 -0.0048 0.0044 -0.0444 3430 ASN 40 HB3 0.0013 0.0053 -0.0423 3431 ASN 40 HD22 0.0037 0.0099 -0.0548 3432 ASN 40 HD21 0.0012 0.0073 -0.0486 3433 ASP 65 N 0.0201 0.0033 0.0150 3434 ASP 65 CA 0.0185 0.0041 0.0153 3435 ASP 65 C 0.0170 0.0043 0.0136 3436 ASP 65 O 0.0154 0.0051 0.0139 3437 ASP 65 CB 0.0176 0.0050 0.0171 3438 ASP 65 CG 0.0188 0.0051 0.0191 3439 ASP 65 OD1 0.0201 0.0046 0.0193 3440 ASP 65 OD2 0.0182 0.0057 0.0203 3441 ASP 65 H 0.0206 0.0034 0.0161 3442 ASP 65 HA 0.0190 0.0040 0.0157 3443 ASP 65 HB2 0.0172 0.0051 0.0168 3444 ASP 65 HB3 0.0164 0.0056 0.0173