1 LEU 1 N -0.0066 -0.0044 -0.0132 2 LEU 1 CA -0.0035 -0.0013 -0.0040 3 LEU 1 C -0.0001 -0.0005 0.0042 4 LEU 1 O 0.0022 -0.0080 0.0048 5 LEU 1 CB -0.0007 -0.0093 -0.0028 6 LEU 1 CG -0.0041 -0.0087 -0.0101 7 LEU 1 CD1 -0.0015 -0.0175 -0.0097 8 LEU 1 CD2 -0.0063 0.0016 -0.0085 9 PRO 2 N -0.0020 -0.0043 0.0035 10 PRO 2 CA -0.0000 -0.0045 0.0020 11 PRO 2 C 0.0063 -0.0032 0.0042 12 PRO 2 O 0.0073 -0.0016 0.0095 13 PRO 2 CB -0.0048 -0.0042 0.0049 14 PRO 2 CG -0.0072 -0.0030 0.0103 15 PRO 2 CD -0.0063 -0.0034 0.0085 16 VAL 3 N 0.0090 0.0025 -0.0039 17 VAL 3 CA 0.0107 0.0021 -0.0025 18 VAL 3 C 0.0046 0.0006 -0.0013 19 VAL 3 O 0.0017 0.0019 -0.0048 20 VAL 3 CB 0.0142 0.0050 -0.0073 21 VAL 3 CG1 0.0164 0.0044 -0.0054 22 VAL 3 CG2 0.0200 0.0066 -0.0088 23 GLU 4 N 0.0019 -0.0057 0.0079 24 GLU 4 CA 0.0034 -0.0044 0.0082 25 GLU 4 C 0.0029 -0.0054 0.0086 26 GLU 4 O 0.0014 -0.0057 0.0073 27 GLU 4 CB 0.0036 -0.0023 0.0064 28 GLU 4 CG 0.0047 -0.0008 0.0062 29 GLU 4 CD 0.0050 0.0013 0.0047 30 GLU 4 OE1 0.0067 0.0027 0.0052 31 GLU 4 OE2 0.0036 0.0016 0.0030 32 ASP 5 N -0.0002 -0.0027 0.0050 33 ASP 5 CA -0.0026 0.0008 0.0021 34 ASP 5 C -0.0031 -0.0003 -0.0001 35 ASP 5 O -0.0038 -0.0030 -0.0037 36 ASP 5 CB -0.0043 0.0011 -0.0017 37 ASP 5 CG -0.0041 0.0031 0.0003 38 ASP 5 OD1 -0.0044 0.0071 0.0026 39 ASP 5 OD2 -0.0037 0.0007 -0.0005 40 ALA 6 N -0.0026 0.0039 -0.0005 41 ALA 6 CA -0.0039 0.0011 -0.0058 42 ALA 6 C -0.0112 0.0043 -0.0117 43 ALA 6 O -0.0139 0.0049 -0.0146 44 ALA 6 CB -0.0015 0.0021 -0.0012 45 ASP 7 N -0.0103 0.0032 -0.0099 46 ASP 7 CA -0.0087 0.0107 -0.0198 47 ASP 7 C 0.0059 0.0059 -0.0320 48 ASP 7 O 0.0098 0.0095 -0.0406 49 ASP 7 CB -0.0139 0.0083 -0.0111 50 ASP 7 CG -0.0278 0.0209 -0.0079 51 ASP 7 OD1 -0.0319 0.0326 -0.0153 52 ASP 7 OD2 -0.0342 0.0190 0.0018 53 SER 8 N -0.0114 -0.0059 -0.0183 54 SER 8 CA -0.0131 -0.0015 -0.0117 55 SER 8 C -0.0138 0.0002 -0.0084 56 SER 8 O -0.0156 0.0053 -0.0044 57 SER 8 CB -0.0154 0.0055 -0.0131 58 SER 8 OG -0.0149 0.0040 -0.0139 59 SER 9 N -0.0166 -0.0054 -0.0105 60 SER 9 CA -0.0199 0.0042 0.0030 61 SER 9 C -0.0086 0.0039 0.0196 62 SER 9 O -0.0087 0.0100 0.0313 63 SER 9 CB -0.0223 0.0040 -0.0008 64 SER 9 OG -0.0101 -0.0077 -0.0050 65 VAL 10 N -0.0106 -0.0006 0.0133 66 VAL 10 CA 0.0054 0.0009 0.0356 67 VAL 10 C -0.0301 -0.0021 0.0122 68 VAL 10 O -0.0158 -0.0016 -0.0257 69 VAL 10 CB 0.0640 0.0051 0.0270 70 VAL 10 CG1 0.0783 0.0066 0.0582 71 VAL 10 CG2 0.0982 0.0079 0.0472 72 GLY 11 N -0.0457 -0.0048 0.0018 73 GLY 11 CA -0.0435 -0.0031 0.0048 74 GLY 11 C -0.0468 0.0005 0.0030 75 GLY 11 O -0.0452 0.0022 0.0054 76 GLN 12 N -0.0656 -0.0198 0.0144 77 GLN 12 CA -0.0440 -0.0064 0.0136 78 GLN 12 C -0.0459 -0.0176 0.0086 79 GLN 12 O -0.0426 -0.0407 -0.0044 80 GLN 12 CB -0.0134 -0.0045 0.0037 81 GLN 12 CG 0.0001 0.0251 0.0140 82 GLN 12 CD 0.0295 0.0281 0.0051 83 GLN 12 OE1 0.0379 0.0099 -0.0071 84 GLN 12 NE2 0.0462 0.0521 0.0114 85 LEU 13 N -0.0059 -0.0160 -0.0073 86 LEU 13 CA -0.0024 -0.0216 -0.0140 87 LEU 13 C 0.0001 -0.0268 -0.0118 88 LEU 13 O 0.0013 -0.0304 -0.0045 89 LEU 13 CB 0.0007 -0.0273 -0.0152 90 LEU 13 CG -0.0012 -0.0231 -0.0186 91 LEU 13 CD1 0.0010 -0.0279 -0.0154 92 LEU 13 CD2 -0.0009 -0.0219 -0.0289 93 GLN 14 N 0.0093 -0.0555 -0.0104 94 GLN 14 CA -0.0032 -0.0499 -0.0038 95 GLN 14 C -0.0055 -0.0601 -0.0086 96 GLN 14 O 0.0050 -0.0587 -0.0109 97 GLN 14 CB 0.0021 -0.0328 0.0038 98 GLN 14 CG -0.0132 -0.0246 0.0127 99 GLN 14 CD -0.0080 -0.0072 0.0205 100 GLN 14 OE1 0.0070 -0.0013 0.0193 101 GLN 14 NE2 -0.0206 0.0017 0.0289 102 GLY 15 N -0.0319 -0.1396 -0.0132 103 GLY 15 CA -0.0348 -0.1382 -0.0139 104 GLY 15 C -0.0373 -0.1004 -0.0040 105 GLY 15 O -0.0645 -0.0805 -0.0086 106 ARG 16 N 0.0294 -0.0394 0.0118 107 ARG 16 CA 0.0326 -0.0353 0.0103 108 ARG 16 C 0.0337 -0.0368 0.0113 109 ARG 16 O 0.0338 -0.0414 0.0136 110 ARG 16 CB 0.0382 -0.0338 0.0107 111 ARG 16 CG 0.0374 -0.0313 0.0093 112 ARG 16 CD 0.0431 -0.0293 0.0093 113 ARG 16 NE 0.0418 -0.0259 0.0074 114 ARG 16 CZ 0.0456 -0.0225 0.0064 115 ARG 16 NH1 0.0508 -0.0219 0.0071 116 ARG 16 NH2 0.0441 -0.0196 0.0046 117 GLY 17 N -0.0315 -0.0068 0.0095 118 GLY 17 CA -0.0507 0.0090 -0.0055 119 GLY 17 C -0.0464 0.0089 0.0000 120 GLY 17 O -0.0435 -0.0136 -0.0100 121 ASN 18 N -0.0430 0.0123 0.0114 122 ASN 18 CA -0.0240 -0.0019 0.0180 123 ASN 18 C -0.0119 -0.0036 0.0186 124 ASN 18 O -0.0082 0.0123 0.0105 125 ASN 18 CB -0.0070 0.0046 0.0143 126 ASN 18 CG -0.0015 -0.0130 0.0230 127 ASN 18 OD1 -0.0142 -0.0276 0.0306 128 ASN 18 ND2 0.0180 -0.0120 0.0219 129 PRO 19 N -0.0072 -0.0001 0.0127 130 PRO 19 CA -0.0052 0.0006 0.0112 131 PRO 19 C -0.0042 0.0008 0.0103 132 PRO 19 O -0.0047 -0.0007 0.0099 133 PRO 19 CB -0.0049 -0.0011 0.0100 134 PRO 19 CG -0.0066 -0.0032 0.0104 135 PRO 19 CD -0.0081 -0.0023 0.0123 136 TYR 20 N -0.0123 0.0051 0.0121 137 TYR 20 CA 0.0025 0.0097 -0.0017 138 TYR 20 C 0.0008 0.0092 -0.0001 139 TYR 20 O -0.0156 0.0136 -0.0011 140 TYR 20 CB -0.0018 0.0220 -0.0208 141 TYR 20 CG 0.0126 0.0274 -0.0358 142 TYR 20 CD1 0.0069 0.0339 -0.0444 143 TYR 20 CD2 0.0322 0.0257 -0.0407 144 TYR 20 CE1 0.0205 0.0386 -0.0578 145 TYR 20 CE2 0.0459 0.0304 -0.0540 146 TYR 20 CZ 0.0399 0.0369 -0.0628 147 TYR 20 OH 0.0533 0.0418 -0.0764 148 CYS 21 N -0.0007 0.0152 -0.0004 149 CYS 21 CA 0.0010 0.0136 0.0013 150 CYS 21 C 0.0031 0.0157 0.0021 151 CYS 21 O 0.0043 0.0175 0.0023 152 CYS 21 CB 0.0020 0.0118 0.0026 153 CYS 21 SG -0.0001 0.0088 0.0022 154 VAL 22 N -0.0039 0.0212 -0.0023 155 VAL 22 CA -0.0056 0.0199 -0.0015 156 VAL 22 C -0.0070 0.0218 0.0019 157 VAL 22 O -0.0075 0.0222 0.0028 158 VAL 22 CB -0.0079 0.0164 -0.0022 159 VAL 22 CG1 -0.0096 0.0149 -0.0017 160 VAL 22 CG2 -0.0065 0.0146 -0.0056 161 PHE 23 N -0.0100 0.0177 -0.0061 162 PHE 23 CA -0.0118 0.0190 -0.0063 163 PHE 23 C -0.0121 0.0205 -0.0069 164 PHE 23 O -0.0107 0.0212 -0.0074 165 PHE 23 CB -0.0115 0.0200 -0.0068 166 PHE 23 CG -0.0113 0.0185 -0.0062 167 PHE 23 CD1 -0.0131 0.0176 -0.0056 168 PHE 23 CD2 -0.0094 0.0179 -0.0063 169 PHE 23 CE1 -0.0129 0.0162 -0.0050 170 PHE 23 CE2 -0.0093 0.0165 -0.0057 171 PHE 23 CZ -0.0110 0.0156 -0.0051 172 PRO 24 N -0.0197 0.0188 -0.0114 173 PRO 24 CA -0.0178 0.0194 -0.0139 174 PRO 24 C -0.0205 0.0189 -0.0089 175 PRO 24 O -0.0205 0.0184 -0.0109 176 PRO 24 CB -0.0207 0.0165 -0.0208 177 PRO 24 CG -0.0267 0.0133 -0.0197 178 PRO 24 CD -0.0249 0.0152 -0.0149 179 GLY 25 N -0.0218 0.0223 -0.0045 180 GLY 25 CA -0.0214 0.0261 -0.0034 181 GLY 25 C -0.0182 0.0286 -0.0026 182 GLY 25 O -0.0163 0.0309 -0.0019 183 ARG 26 N -0.0149 0.0261 -0.0074 184 ARG 26 CA -0.0154 0.0257 -0.0073 185 ARG 26 C -0.0161 0.0275 -0.0086 186 ARG 26 O -0.0155 0.0291 -0.0096 187 ARG 26 CB -0.0133 0.0251 -0.0064 188 ARG 26 CG -0.0127 0.0232 -0.0049 189 ARG 26 CD -0.0109 0.0224 -0.0040 190 ARG 26 NE -0.0103 0.0206 -0.0026 191 ARG 26 CZ -0.0088 0.0195 -0.0015 192 ARG 26 NH1 -0.0078 0.0200 -0.0016 193 ARG 26 NH2 -0.0084 0.0179 -0.0003 194 ARG 27 N -0.0123 0.0366 -0.0160 195 ARG 27 CA -0.0109 0.0331 -0.0139 196 ARG 27 C -0.0131 0.0303 -0.0146 197 ARG 27 O -0.0145 0.0314 -0.0160 198 ARG 27 CB -0.0074 0.0340 -0.0117 199 ARG 27 CG -0.0049 0.0363 -0.0106 200 ARG 27 CD -0.0014 0.0373 -0.0083 201 ARG 27 NE -0.0002 0.0335 -0.0062 202 ARG 27 CZ 0.0024 0.0330 -0.0042 203 ARG 27 NH1 0.0041 0.0359 -0.0039 204 ARG 27 NH2 0.0033 0.0295 -0.0024 205 THR 28 N -0.0172 0.0191 -0.0103 206 THR 28 CA -0.0176 0.0180 -0.0104 207 THR 28 C -0.0180 0.0171 -0.0096 208 THR 28 O -0.0180 0.0175 -0.0087 209 THR 28 CB -0.0176 0.0180 -0.0100 210 THR 28 OG1 -0.0175 0.0186 -0.0090 211 THR 28 CG2 -0.0173 0.0185 -0.0110 212 SER 29 N -0.0215 0.0098 -0.0087 213 SER 29 CA -0.0206 0.0082 -0.0069 214 SER 29 C -0.0203 0.0103 -0.0097 215 SER 29 O -0.0205 0.0128 -0.0131 216 SER 29 CB -0.0162 0.0057 -0.0051 217 SER 29 OG -0.0122 0.0067 -0.0078 218 SER 30 N -0.0091 0.0129 -0.0153 219 SER 30 CA -0.0036 0.0110 -0.0209 220 SER 30 C -0.0091 0.0137 -0.0152 221 SER 30 O -0.0064 0.0097 -0.0184 222 SER 30 CB 0.0060 0.0204 -0.0289 223 SER 30 OG 0.0042 0.0339 -0.0254 224 THR 31 N -0.0068 0.0094 -0.0142 225 THR 31 CA -0.0047 0.0109 -0.0138 226 THR 31 C -0.0041 0.0109 -0.0133 227 THR 31 O -0.0025 0.0123 -0.0132 228 THR 31 CB -0.0031 0.0105 -0.0121 229 THR 31 OG1 -0.0033 0.0085 -0.0105 230 THR 31 CG2 -0.0034 0.0109 -0.0128 231 SER 32 N -0.0084 0.0110 -0.0124 232 SER 32 CA -0.0085 0.0118 -0.0135 233 SER 32 C -0.0086 0.0128 -0.0149 234 SER 32 O -0.0093 0.0132 -0.0151 235 SER 32 CB -0.0099 0.0120 -0.0131 236 SER 32 OG -0.0101 0.0111 -0.0117 237 PHE 33 N -0.0072 0.0145 -0.0155 238 PHE 33 CA -0.0072 0.0146 -0.0154 239 PHE 33 C -0.0070 0.0145 -0.0153 240 PHE 33 O -0.0069 0.0144 -0.0152 241 PHE 33 CB -0.0073 0.0147 -0.0152 242 PHE 33 CG -0.0073 0.0148 -0.0150 243 PHE 33 CD1 -0.0072 0.0148 -0.0148 244 PHE 33 CD2 -0.0074 0.0148 -0.0150 245 PHE 33 CE1 -0.0072 0.0148 -0.0146 246 PHE 33 CE2 -0.0073 0.0149 -0.0148 247 PHE 33 CZ -0.0072 0.0149 -0.0146 248 THR 34 N -0.0132 0.0159 -0.0187 249 THR 34 CA -0.0134 0.0148 -0.0184 250 THR 34 C -0.0135 0.0163 -0.0193 251 THR 34 O -0.0142 0.0176 -0.0209 252 THR 34 CB -0.0149 0.0127 -0.0192 253 THR 34 OG1 -0.0162 0.0130 -0.0210 254 THR 34 CG2 -0.0147 0.0109 -0.0180 255 THR 35 N -0.0115 0.0132 -0.0147 256 THR 35 CA -0.0115 0.0140 -0.0146 257 THR 35 C -0.0108 0.0130 -0.0136 258 THR 35 O -0.0101 0.0122 -0.0127 259 THR 35 CB -0.0114 0.0158 -0.0141 260 THR 35 OG1 -0.0115 0.0166 -0.0141 261 THR 35 CG2 -0.0105 0.0161 -0.0125 262 SER 36 N -0.0110 0.0121 -0.0112 263 SER 36 CA -0.0096 0.0106 -0.0094 264 SER 36 C -0.0099 0.0114 -0.0071 265 SER 36 O -0.0109 0.0126 -0.0072 266 SER 36 CB -0.0082 0.0085 -0.0105 267 SER 36 OG -0.0085 0.0088 -0.0114 268 PHE 37 N -0.0094 0.0064 -0.0024 269 PHE 37 CA -0.0090 0.0086 -0.0004 270 PHE 37 C -0.0061 0.0085 0.0007 271 PHE 37 O -0.0044 0.0069 -0.0000 272 PHE 37 CB -0.0096 0.0095 0.0002 273 PHE 37 CG -0.0078 0.0082 -0.0003 274 PHE 37 CD1 -0.0083 0.0062 -0.0021 275 PHE 37 CD2 -0.0056 0.0088 0.0012 276 PHE 37 CE1 -0.0067 0.0050 -0.0025 277 PHE 37 CE2 -0.0039 0.0076 0.0008 278 PHE 37 CZ -0.0045 0.0057 -0.0011 279 SER 38 N -0.0023 0.0001 0.0134 280 SER 38 CA -0.0022 0.0005 0.0132 281 SER 38 C -0.0030 -0.0003 0.0128 282 SER 38 O -0.0034 -0.0011 0.0131 283 SER 38 CB -0.0016 0.0006 0.0141 284 SER 38 OG -0.0008 0.0013 0.0145 285 THR 39 N -0.0013 -0.0012 0.0155 286 THR 39 CA -0.0010 -0.0018 0.0139 287 THR 39 C -0.0009 -0.0003 0.0142 288 THR 39 O -0.0008 0.0015 0.0143 289 THR 39 CB -0.0005 -0.0016 0.0118 290 THR 39 OG1 -0.0006 -0.0029 0.0114 291 THR 39 CG2 -0.0002 -0.0021 0.0101 292 GLU 40 N -0.0031 -0.0151 0.0186 293 GLU 40 CA -0.0049 -0.0115 0.0138 294 GLU 40 C -0.0062 -0.0083 0.0084 295 GLU 40 O -0.0041 -0.0099 0.0069 296 GLU 40 CB -0.0014 -0.0140 0.0105 297 GLU 40 CG -0.0006 -0.0165 0.0154 298 GLU 40 CD 0.0029 -0.0216 0.0196 299 GLU 40 OE1 0.0032 -0.0236 0.0242 300 GLU 40 OE2 0.0052 -0.0234 0.0182 301 PRO 41 N -0.0142 -0.0091 0.0013 302 PRO 41 CA -0.0168 -0.0082 -0.0031 303 PRO 41 C -0.0064 -0.0077 -0.0062 304 PRO 41 O 0.0017 -0.0068 -0.0112 305 PRO 41 CB -0.0246 -0.0060 -0.0132 306 PRO 41 CG -0.0301 -0.0064 -0.0106 307 PRO 41 CD -0.0205 -0.0078 -0.0047 308 LEU 42 N 0.0010 -0.0049 -0.0118 309 LEU 42 CA 0.0065 -0.0061 -0.0142 310 LEU 42 C 0.0082 -0.0042 -0.0203 311 LEU 42 O 0.0132 -0.0053 -0.0224 312 LEU 42 CB 0.0067 -0.0065 -0.0134 313 LEU 42 CG 0.0060 -0.0089 -0.0073 314 LEU 42 CD1 0.0060 -0.0090 -0.0071 315 LEU 42 CD2 0.0106 -0.0121 -0.0041 316 GLY 43 N 0.0060 -0.0022 -0.0230 317 GLY 43 CA 0.0088 0.0088 -0.0345 318 GLY 43 C 0.0078 0.0098 -0.0350 319 GLY 43 O 0.0111 0.0181 -0.0443 320 TYR 44 N 0.0041 0.0030 -0.0242 321 TYR 44 CA 0.0104 0.0083 -0.0321 322 TYR 44 C 0.0259 0.0124 -0.0278 323 TYR 44 O 0.0307 0.0097 -0.0155 324 TYR 44 CB 0.0041 0.0054 -0.0306 325 TYR 44 CG -0.0106 0.0026 -0.0377 326 TYR 44 CD1 -0.0182 0.0025 -0.0450 327 TYR 44 CD2 -0.0169 0.0001 -0.0372 328 TYR 44 CE1 -0.0318 -0.0003 -0.0512 329 TYR 44 CE2 -0.0305 -0.0026 -0.0436 330 TYR 44 CZ -0.0379 -0.0028 -0.0504 331 TYR 44 OH -0.0516 -0.0056 -0.0567 332 ALA 45 N 0.0155 0.0125 -0.0152 333 ALA 45 CA 0.0172 -0.0058 -0.0226 334 ALA 45 C 0.0146 -0.0223 -0.0126 335 ALA 45 O 0.0105 -0.0226 0.0043 336 ALA 45 CB 0.0173 -0.0085 -0.0232 337 ARG 46 N 0.0223 -0.0346 -0.0004 338 ARG 46 CA 0.0233 -0.0347 0.0008 339 ARG 46 C 0.0228 -0.0369 -0.0004 340 ARG 46 O 0.0211 -0.0374 -0.0024 341 ARG 46 CB 0.0229 -0.0318 0.0008 342 ARG 46 CG 0.0235 -0.0293 0.0022 343 ARG 46 CD 0.0225 -0.0265 0.0015 344 ARG 46 NE 0.0233 -0.0241 0.0031 345 ARG 46 CZ 0.0223 -0.0220 0.0023 346 ARG 46 NH1 0.0212 -0.0226 0.0009 347 ARG 46 NH2 0.0225 -0.0194 0.0030 348 MET 47 N -0.0083 0.0533 0.0243 349 MET 47 CA -0.0113 -0.0023 -0.0004 350 MET 47 C -0.0095 -0.0493 -0.0285 351 MET 47 O -0.0335 -0.0742 -0.0011 352 MET 47 CB -0.0466 -0.0307 0.0443 353 MET 47 CG -0.0462 0.0109 0.0660 354 MET 47 SD -0.0809 -0.0270 0.1046 355 MET 47 CE -0.1188 -0.0313 0.1665 356 LEU 48 N -0.0060 -0.0126 0.0295 357 LEU 48 CA -0.0090 -0.0093 0.0191 358 LEU 48 C -0.0222 -0.0028 0.0178 359 LEU 48 O -0.0294 -0.0012 0.0273 360 LEU 48 CB -0.0052 -0.0115 0.0216 361 LEU 48 CG 0.0080 -0.0182 0.0241 362 LEU 48 CD1 0.0108 -0.0200 0.0269 363 LEU 48 CD2 0.0164 -0.0200 0.0127 364 HIS 49 N -0.0146 0.0314 0.0286 365 HIS 49 CA -0.0218 0.0285 0.0268 366 HIS 49 C -0.0198 0.0230 0.0189 367 HIS 49 O -0.0160 0.0205 0.0145 368 HIS 49 CB -0.0307 0.0277 0.0281 369 HIS 49 CG -0.0385 0.0263 0.0283 370 HIS 49 ND1 -0.0402 0.0301 0.0339 371 HIS 49 CD2 -0.0447 0.0215 0.0237 372 HIS 49 CE1 -0.0475 0.0277 0.0326 373 HIS 49 NE2 -0.0504 0.0225 0.0265 374 ARG 50 N -0.0311 0.0342 0.0198 375 ARG 50 CA -0.0253 0.0233 0.0152 376 ARG 50 C -0.0316 0.0117 0.0231 377 ARG 50 O -0.0296 0.0065 0.0217 378 ARG 50 CB -0.0163 0.0156 0.0069 379 ARG 50 CG -0.0083 0.0256 -0.0026 380 ARG 50 CD 0.0010 0.0167 -0.0111 381 ARG 50 NE 0.0065 0.0265 -0.0180 382 ARG 50 CZ 0.0133 0.0215 -0.0244 383 ARG 50 NH1 0.0161 0.0074 -0.0256 384 ARG 50 NH2 0.0174 0.0307 -0.0298 385 ASP 51 N -0.0336 0.0123 0.0199 386 ASP 51 CA -0.0390 0.0086 0.0146 387 ASP 51 C -0.0402 0.0104 0.0225 388 ASP 51 O -0.0492 0.0081 0.0275 389 ASP 51 CB -0.0501 0.0032 0.0116 390 ASP 51 CG -0.0555 -0.0012 0.0038 391 ASP 51 OD1 -0.0494 -0.0008 -0.0037 392 ASP 51 OD2 -0.0656 -0.0049 0.0052 393 PRO 52 N -0.0253 0.0147 0.0109 394 PRO 52 CA -0.0249 0.0153 0.0145 395 PRO 52 C -0.0285 0.0139 0.0115 396 PRO 52 O -0.0290 0.0130 0.0056 397 PRO 52 CB -0.0179 0.0173 0.0146 398 PRO 52 CG -0.0148 0.0180 0.0134 399 PRO 52 CD -0.0191 0.0162 0.0087 400 PRO 53 N -0.0330 0.0130 0.0363 401 PRO 53 CA -0.0478 0.0073 0.0269 402 PRO 53 C -0.0344 0.0086 0.0074 403 PRO 53 O -0.0125 0.0153 0.0088 404 PRO 53 CB -0.0557 0.0082 0.0506 405 PRO 53 CG -0.0357 0.0167 0.0693 406 PRO 53 CD -0.0280 0.0181 0.0631 407 TYR 54 N -0.0195 0.0125 0.0019 408 TYR 54 CA -0.0178 0.0093 -0.0052 409 TYR 54 C -0.0205 0.0095 -0.0070 410 TYR 54 O -0.0263 0.0122 -0.0051 411 TYR 54 CB -0.0217 0.0084 -0.0111 412 TYR 54 CG -0.0174 0.0067 -0.0118 413 TYR 54 CD1 -0.0121 0.0030 -0.0167 414 TYR 54 CD2 -0.0185 0.0086 -0.0077 415 TYR 54 CE1 -0.0082 0.0013 -0.0177 416 TYR 54 CE2 -0.0146 0.0069 -0.0086 417 TYR 54 CZ -0.0095 0.0032 -0.0137 418 TYR 54 OH -0.0057 0.0015 -0.0148 419 GLU 55 N -0.0135 0.0093 -0.0101 420 GLU 55 CA -0.0122 0.0091 -0.0125 421 GLU 55 C -0.0118 0.0098 -0.0163 422 GLU 55 O -0.0115 0.0098 -0.0168 423 GLU 55 CB -0.0093 0.0064 -0.0117 424 GLU 55 CG -0.0097 0.0056 -0.0081 425 GLU 55 CD -0.0069 0.0031 -0.0074 426 GLU 55 OE1 -0.0069 0.0023 -0.0045 427 GLU 55 OE2 -0.0046 0.0020 -0.0098 428 ARG 56 N -0.0022 0.0159 -0.0133 429 ARG 56 CA -0.0049 0.0097 -0.0122 430 ARG 56 C -0.0052 0.0126 -0.0115 431 ARG 56 O -0.0084 0.0184 -0.0085 432 ARG 56 CB -0.0119 0.0064 -0.0076 433 ARG 56 CG -0.0147 -0.0011 -0.0066 434 ARG 56 CD -0.0213 -0.0051 -0.0024 435 ARG 56 NE -0.0264 0.0009 0.0020 436 ARG 56 CZ -0.0327 -0.0003 0.0064 437 ARG 56 NH1 -0.0348 -0.0070 0.0070 438 ARG 56 NH2 -0.0371 0.0051 0.0102 439 ALA 57 N -0.0041 0.0078 -0.0132 440 ALA 57 CA -0.0056 0.0065 -0.0127 441 ALA 57 C -0.0065 0.0060 -0.0130 442 ALA 57 O -0.0067 0.0053 -0.0117 443 ALA 57 CB -0.0053 0.0058 -0.0108 444 GLY 58 N -0.0082 0.0097 -0.0125 445 GLY 58 CA -0.0088 0.0095 -0.0115 446 GLY 58 C -0.0097 0.0080 -0.0118 447 GLY 58 O -0.0105 0.0069 -0.0117 448 ASN 59 N -0.0107 0.0090 -0.0109 449 ASN 59 CA -0.0121 0.0043 -0.0102 450 ASN 59 C -0.0098 0.0016 -0.0136 451 ASN 59 O -0.0107 -0.0021 -0.0134 452 ASN 59 CB -0.0146 0.0044 -0.0073 453 ASN 59 CG -0.0172 0.0065 -0.0037 454 ASN 59 OD1 -0.0178 0.0065 -0.0030 455 ASN 59 ND2 -0.0189 0.0084 -0.0012 456 SER 60 N -0.0007 0.0059 -0.0140 457 SER 60 CA 0.0020 0.0033 -0.0095 458 SER 60 C 0.0079 0.0038 -0.0077 459 SER 60 O 0.0103 0.0015 -0.0036 460 SER 60 CB 0.0023 0.0033 -0.0095 461 SER 60 OG 0.0060 0.0068 -0.0123 462 GLY 61 N 0.0040 -0.0126 -0.0029 463 GLY 61 CA 0.0122 -0.0091 -0.0006 464 GLY 61 C 0.0160 -0.0075 0.0003 465 GLY 61 O 0.0229 -0.0048 0.0027 466 LEU 62 N 0.0062 -0.0078 0.0064 467 LEU 62 CA 0.0112 -0.0055 0.0025 468 LEU 62 C 0.0107 0.0007 0.0007 469 LEU 62 O 0.0063 0.0038 0.0024 470 LEU 62 CB 0.0128 -0.0049 0.0013 471 LEU 62 CG 0.0138 -0.0109 0.0028 472 LEU 62 CD1 0.0150 -0.0097 0.0016 473 LEU 62 CD2 0.0183 -0.0156 0.0016 474 ASN 63 N -0.0044 -0.0017 0.0001 475 ASN 63 CA -0.0042 0.0006 -0.0004 476 ASN 63 C -0.0031 0.0034 -0.0027 477 ASN 63 O -0.0021 0.0029 -0.0046 478 ASN 63 CB -0.0035 -0.0013 -0.0018 479 ASN 63 CG -0.0046 -0.0038 0.0006 480 ASN 63 OD1 -0.0061 -0.0034 0.0033 481 ASN 63 ND2 -0.0039 -0.0064 -0.0006 482 HIS 64 N -0.0080 0.0049 -0.0135 483 HIS 64 CA -0.0071 0.0055 -0.0137 484 HIS 64 C -0.0068 0.0068 -0.0137 485 HIS 64 O -0.0074 0.0073 -0.0135 486 HIS 64 CB -0.0075 0.0055 -0.0136 487 HIS 64 CG -0.0084 0.0065 -0.0132 488 HIS 64 ND1 -0.0095 0.0065 -0.0128 489 HIS 64 CD2 -0.0084 0.0074 -0.0131 490 HIS 64 CE1 -0.0100 0.0074 -0.0126 491 HIS 64 NE2 -0.0094 0.0080 -0.0127 492 ARG 65 N -0.0050 0.0066 -0.0155 493 ARG 65 CA -0.0039 0.0071 -0.0104 494 ARG 65 C 0.0011 0.0069 -0.0098 495 ARG 65 O 0.0027 0.0065 -0.0127 496 ARG 65 CB -0.0075 0.0075 -0.0076 497 ARG 65 CG -0.0083 0.0074 -0.0098 498 ARG 65 CD -0.0120 0.0078 -0.0069 499 ARG 65 NE -0.0125 0.0076 -0.0090 500 ARG 65 CZ -0.0162 0.0079 -0.0080 501 ARG 65 NH1 -0.0196 0.0084 -0.0049 502 ARG 65 NH2 -0.0163 0.0077 -0.0103 503 ILE 66 N 0.0005 0.0042 -0.0057 504 ILE 66 CA 0.0016 0.0040 -0.0055 505 ILE 66 C 0.0017 0.0044 -0.0044 506 ILE 66 O 0.0013 0.0048 -0.0040 507 ILE 66 CB 0.0020 0.0037 -0.0058 508 ILE 66 CG1 0.0017 0.0032 -0.0068 509 ILE 66 CG2 0.0031 0.0034 -0.0054 510 ILE 66 CD1 0.0020 0.0029 -0.0072 511 TYR 67 N 0.0112 0.0028 -0.0045 512 TYR 67 CA 0.0110 0.0041 -0.0002 513 TYR 67 C 0.0145 0.0034 0.0014 514 TYR 67 O 0.0168 0.0020 -0.0009 515 TYR 67 CB 0.0069 0.0057 0.0007 516 TYR 67 CG 0.0062 0.0055 -0.0010 517 TYR 67 CD1 0.0049 0.0047 -0.0051 518 TYR 67 CD2 0.0065 0.0061 0.0017 519 TYR 67 CE1 0.0040 0.0046 -0.0066 520 TYR 67 CE2 0.0055 0.0060 0.0002 521 TYR 67 CZ 0.0043 0.0053 -0.0039 522 TYR 67 OH 0.0033 0.0052 -0.0053 523 GLU 68 N 0.0160 -0.0071 0.0006 524 GLU 68 CA 0.0146 -0.0085 0.0026 525 GLU 68 C 0.0114 -0.0077 0.0045 526 GLU 68 O 0.0105 -0.0075 0.0050 527 GLU 68 CB 0.0161 -0.0119 0.0038 528 GLU 68 CG 0.0192 -0.0130 0.0022 529 GLU 68 CD 0.0206 -0.0164 0.0035 530 GLU 68 OE1 0.0232 -0.0177 0.0024 531 GLU 68 OE2 0.0189 -0.0179 0.0057 532 ARG 69 N 0.0293 -0.0069 -0.0022 533 ARG 69 CA 0.0292 -0.0064 -0.0015 534 ARG 69 C 0.0281 -0.0074 -0.0010 535 ARG 69 O 0.0274 -0.0082 -0.0006 536 ARG 69 CB 0.0295 -0.0052 -0.0003 537 ARG 69 CG 0.0287 -0.0053 0.0008 538 ARG 69 CD 0.0291 -0.0040 0.0019 539 ARG 69 NE 0.0284 -0.0042 0.0029 540 ARG 69 CZ 0.0285 -0.0032 0.0041 541 ARG 69 NH1 0.0291 -0.0021 0.0044 542 ARG 69 NH2 0.0279 -0.0034 0.0049 543 SER 70 N 0.0389 -0.0187 -0.0094 544 SER 70 CA 0.0353 -0.0167 -0.0152 545 SER 70 C 0.0344 -0.0162 -0.0129 546 SER 70 O 0.0388 -0.0186 -0.0093 547 SER 70 CB 0.0388 -0.0185 -0.0233 548 SER 70 OG 0.0346 -0.0163 -0.0292 549 ARG 71 N 0.0409 -0.0189 -0.0161 550 ARG 71 CA 0.0341 -0.0162 -0.0073 551 ARG 71 C 0.0248 -0.0224 -0.0101 552 ARG 71 O 0.0223 -0.0287 -0.0175 553 ARG 71 CB 0.0301 -0.0135 -0.0006 554 ARG 71 CG 0.0224 -0.0104 0.0092 555 ARG 71 CD 0.0183 -0.0088 0.0144 556 ARG 71 NE 0.0106 -0.0061 0.0236 557 ARG 71 CZ 0.0042 -0.0055 0.0289 558 ARG 71 NH1 0.0046 -0.0066 0.0270 559 ARG 71 NH2 -0.0032 -0.0038 0.0365 560 VAL 72 N 0.0415 -0.0272 -0.0106 561 VAL 72 CA 0.0060 -0.0428 -0.0158 562 VAL 72 C -0.0039 -0.0412 -0.0139 563 VAL 72 O -0.0088 -0.0157 0.0010 564 VAL 72 CB -0.0237 -0.0279 -0.0044 565 VAL 72 CG1 -0.0605 -0.0461 -0.0108 566 VAL 72 CG2 -0.0136 -0.0287 -0.0058 567 GLY 73 N -0.0163 -0.0459 -0.0208 568 GLY 73 CA -0.0263 -0.0418 -0.0193 569 GLY 73 C -0.0015 -0.0408 -0.0151 570 GLY 73 O -0.0086 -0.0374 -0.0137 571 GLY 74 N 0.0082 -0.0278 -0.0127 572 GLY 74 CA 0.0111 -0.0284 -0.0151 573 GLY 74 C 0.0180 -0.0258 -0.0150 574 GLY 74 O 0.0213 -0.0242 -0.0144 575 LEU 75 N 0.0194 -0.0165 -0.0066 576 LEU 75 CA 0.0221 -0.0170 -0.0051 577 LEU 75 C 0.0221 -0.0151 -0.0025 578 LEU 75 O 0.0204 -0.0135 -0.0017 579 LEU 75 CB 0.0234 -0.0177 -0.0050 580 LEU 75 CG 0.0238 -0.0198 -0.0075 581 LEU 75 CD1 0.0248 -0.0203 -0.0074 582 LEU 75 CD2 0.0256 -0.0214 -0.0082 583 ARG 76 N 0.0249 -0.0081 -0.0002 584 ARG 76 CA 0.0250 -0.0075 0.0009 585 ARG 76 C 0.0263 -0.0065 -0.0007 586 ARG 76 O 0.0277 -0.0050 -0.0013 587 ARG 76 CB 0.0254 -0.0060 0.0032 588 ARG 76 CG 0.0251 -0.0057 0.0048 589 ARG 76 CD 0.0252 -0.0044 0.0072 590 ARG 76 NE 0.0250 -0.0042 0.0085 591 ARG 76 CZ 0.0249 -0.0033 0.0108 592 ARG 76 NH1 0.0251 -0.0024 0.0120 593 ARG 76 NH2 0.0245 -0.0034 0.0118 594 THR 77 N 0.0195 -0.0028 0.0010 595 THR 77 CA 0.0178 -0.0033 0.0007 596 THR 77 C 0.0181 -0.0047 0.0009 597 THR 77 O 0.0191 -0.0060 0.0013 598 THR 77 CB 0.0163 -0.0041 0.0005 599 THR 77 OG1 0.0160 -0.0028 0.0002 600 THR 77 CG2 0.0145 -0.0043 0.0001 601 VAL 78 N 0.0180 -0.0013 -0.0022 602 VAL 78 CA 0.0168 -0.0023 -0.0037 603 VAL 78 C 0.0139 -0.0027 -0.0055 604 VAL 78 O 0.0120 -0.0010 -0.0051 605 VAL 78 CB 0.0163 -0.0005 -0.0024 606 VAL 78 CG1 0.0154 -0.0017 -0.0040 607 VAL 78 CG2 0.0192 0.0002 -0.0004 608 ILE 79 N 0.0085 0.0005 -0.0081 609 ILE 79 CA 0.0061 -0.0007 -0.0082 610 ILE 79 C 0.0061 -0.0026 -0.0089 611 ILE 79 O 0.0076 -0.0042 -0.0097 612 ILE 79 CB 0.0054 -0.0019 -0.0085 613 ILE 79 CG1 0.0055 -0.0000 -0.0078 614 ILE 79 CG2 0.0028 -0.0032 -0.0086 615 ILE 79 CD1 0.0045 -0.0009 -0.0080 616 ASP 80 N 0.0018 0.0005 -0.0117 617 ASP 80 CA 0.0004 -0.0016 -0.0132 618 ASP 80 C -0.0023 -0.0028 -0.0132 619 ASP 80 O -0.0039 -0.0017 -0.0116 620 ASP 80 CB -0.0007 -0.0011 -0.0123 621 ASP 80 CG 0.0017 -0.0001 -0.0123 622 ASP 80 OD1 0.0043 -0.0003 -0.0134 623 ASP 80 OD2 0.0009 0.0009 -0.0111 624 VAL 81 N 0.0011 -0.0086 -0.0083 625 VAL 81 CA 0.0030 -0.0084 -0.0059 626 VAL 81 C 0.0042 -0.0092 -0.0055 627 VAL 81 O 0.0031 -0.0084 -0.0058 628 VAL 81 CB 0.0024 -0.0059 -0.0040 629 VAL 81 CG1 0.0045 -0.0057 -0.0015 630 VAL 81 CG2 0.0011 -0.0050 -0.0044 631 ALA 82 N 0.0022 -0.0126 0.0045 632 ALA 82 CA 0.0050 -0.0142 0.0054 633 ALA 82 C 0.0072 -0.0151 0.0080 634 ALA 82 O 0.0071 -0.0151 0.0082 635 ALA 82 CB 0.0065 -0.0158 0.0019 636 PRO 83 N 0.0243 -0.0258 0.0182 637 PRO 83 CA 0.0220 -0.0251 0.0171 638 PRO 83 C 0.0198 -0.0249 0.0200 639 PRO 83 O 0.0190 -0.0250 0.0225 640 PRO 83 CB 0.0199 -0.0243 0.0142 641 PRO 83 CG 0.0218 -0.0246 0.0132 642 PRO 83 CD 0.0234 -0.0254 0.0165 643 PRO 84 N 0.0156 -0.0333 0.0177 644 PRO 84 CA 0.0136 -0.0376 0.0208 645 PRO 84 C 0.0051 -0.0330 0.0215 646 PRO 84 O 0.0023 -0.0253 0.0183 647 PRO 84 CB 0.0224 -0.0376 0.0176 648 PRO 84 CG 0.0261 -0.0295 0.0117 649 PRO 84 CD 0.0234 -0.0287 0.0123 650 ASP 85 N -0.0188 -0.0375 0.0583 651 ASP 85 CA -0.0405 -0.0205 0.0616 652 ASP 85 C -0.0559 -0.0083 0.0638 653 ASP 85 O -0.0722 0.0089 0.0589 654 ASP 85 CB -0.0406 -0.0089 0.0421 655 ASP 85 CG -0.0269 -0.0217 0.0435 656 ASP 85 OD1 -0.0260 -0.0346 0.0639 657 ASP 85 OD2 -0.0168 -0.0192 0.0242 658 GLY 86 N -0.0341 -0.0166 0.0545 659 GLY 86 CA -0.0385 -0.0127 0.0583 660 GLY 86 C -0.0381 -0.0101 0.0437 661 GLY 86 O -0.0423 -0.0059 0.0450 662 HIS 87 N -0.0195 -0.0074 0.0396 663 HIS 87 CA -0.0167 -0.0061 0.0166 664 HIS 87 C -0.0028 -0.0148 0.0132 665 HIS 87 O 0.0083 -0.0240 0.0271 666 HIS 87 CB -0.0106 -0.0079 0.0003 667 HIS 87 CG -0.0260 0.0025 -0.0020 668 HIS 87 ND1 -0.0231 0.0027 -0.0178 669 HIS 87 CD2 -0.0433 0.0124 0.0092 670 HIS 87 CE1 -0.0384 0.0126 -0.0159 671 HIS 87 NE2 -0.0511 0.0188 0.0001 672 GLN 88 N 0.0015 -0.0171 0.0132 673 GLN 88 CA 0.0032 -0.0134 0.0102 674 GLN 88 C 0.0169 -0.0135 0.0061 675 GLN 88 O 0.0243 -0.0123 0.0030 676 GLN 88 CB -0.0042 -0.0019 0.0047 677 GLN 88 CG -0.0184 -0.0021 0.0091 678 GLN 88 CD -0.0261 0.0092 0.0038 679 GLN 88 OE1 -0.0220 0.0174 -0.0030 680 GLN 88 NE2 -0.0379 0.0098 0.0070 681 ALA 89 N 0.0251 -0.0116 0.0064 682 ALA 89 CA 0.0336 -0.0072 0.0063 683 ALA 89 C 0.0375 0.0040 0.0050 684 ALA 89 O 0.0310 0.0115 0.0035 685 ALA 89 CB 0.0293 -0.0068 0.0060 686 ILE 90 N 0.0526 0.0114 0.0096 687 ILE 90 CA 0.0555 0.0173 0.0092 688 ILE 90 C 0.0567 0.0225 0.0087 689 ILE 90 O 0.0578 0.0282 0.0081 690 ILE 90 CB 0.0619 0.0157 0.0101 691 ILE 90 CG1 0.0670 0.0125 0.0110 692 ILE 90 CG2 0.0602 0.0114 0.0104 693 ILE 90 CD1 0.0737 0.0118 0.0119 694 ALA 91 N 0.0580 0.0128 0.0103 695 ALA 91 CA 0.0528 0.0145 0.0135 696 ALA 91 C 0.0435 0.0106 0.0127 697 ALA 91 O 0.0419 0.0062 0.0089 698 ALA 91 CB 0.0563 0.0126 0.0106 699 ASN 92 N 0.0415 0.0052 0.0117 700 ASN 92 CA 0.0350 0.0033 0.0105 701 ASN 92 C 0.0342 0.0000 0.0070 702 ASN 92 O 0.0364 0.0008 0.0076 703 ASN 92 CB 0.0303 0.0065 0.0149 704 ASN 92 CG 0.0305 0.0097 0.0184 705 ASN 92 OD1 0.0296 0.0086 0.0173 706 ASN 92 ND2 0.0316 0.0138 0.0228 707 TYR 93 N 0.0269 -0.0063 0.0048 708 TYR 93 CA 0.0236 -0.0059 0.0015 709 TYR 93 C 0.0201 -0.0058 0.0007 710 TYR 93 O 0.0213 -0.0056 -0.0001 711 TYR 93 CB 0.0257 -0.0050 -0.0031 712 TYR 93 CG 0.0291 -0.0049 -0.0027 713 TYR 93 CD1 0.0279 -0.0048 -0.0036 714 TYR 93 CD2 0.0336 -0.0050 -0.0014 715 TYR 93 CE1 0.0311 -0.0048 -0.0033 716 TYR 93 CE2 0.0369 -0.0050 -0.0010 717 TYR 93 CZ 0.0356 -0.0048 -0.0021 718 TYR 93 OH 0.0389 -0.0048 -0.0019 719 GLU 94 N 0.0136 -0.0041 0.0003 720 GLU 94 CA 0.0113 -0.0019 -0.0016 721 GLU 94 C 0.0106 -0.0006 -0.0044 722 GLU 94 O 0.0103 -0.0006 -0.0036 723 GLU 94 CB 0.0083 -0.0005 0.0010 724 GLU 94 CG 0.0058 0.0018 -0.0008 725 GLU 94 CD 0.0065 0.0018 -0.0024 726 GLU 94 OE1 0.0049 0.0025 -0.0010 727 GLU 94 OE2 0.0087 0.0009 -0.0048 728 ILE 95 N 0.0080 -0.0014 -0.0025 729 ILE 95 CA 0.0077 -0.0011 -0.0043 730 ILE 95 C 0.0060 0.0003 -0.0051 731 ILE 95 O 0.0057 0.0005 -0.0060 732 ILE 95 CB 0.0091 -0.0020 -0.0061 733 ILE 95 CG1 0.0110 -0.0033 -0.0052 734 ILE 95 CG2 0.0087 -0.0015 -0.0080 735 ILE 95 CD1 0.0124 -0.0043 -0.0066 736 GLU 96 N -0.0027 0.0029 -0.0061 737 GLU 96 CA -0.0035 0.0052 -0.0067 738 GLU 96 C -0.0035 0.0051 -0.0070 739 GLU 96 O -0.0029 0.0042 -0.0056 740 GLU 96 CB -0.0034 0.0073 -0.0049 741 GLU 96 CG -0.0033 0.0075 -0.0044 742 GLU 96 CD -0.0032 0.0097 -0.0027 743 GLU 96 OE1 -0.0032 0.0101 -0.0024 744 GLU 96 OE2 -0.0032 0.0109 -0.0017 745 VAL 97 N -0.0003 0.0020 -0.0012 746 VAL 97 CA -0.0008 0.0024 -0.0021 747 VAL 97 C -0.0018 0.0022 -0.0020 748 VAL 97 O -0.0018 0.0020 -0.0015 749 VAL 97 CB -0.0001 0.0027 -0.0026 750 VAL 97 CG1 -0.0007 0.0030 -0.0036 751 VAL 97 CG2 0.0009 0.0028 -0.0027 752 ARG 98 N -0.0083 0.0074 -0.0040 753 ARG 98 CA -0.0089 0.0070 -0.0040 754 ARG 98 C -0.0091 0.0072 -0.0046 755 ARG 98 O -0.0088 0.0076 -0.0051 756 ARG 98 CB -0.0095 0.0067 -0.0042 757 ARG 98 CG -0.0094 0.0064 -0.0036 758 ARG 98 CD -0.0099 0.0061 -0.0037 759 ARG 98 NE -0.0105 0.0057 -0.0036 760 ARG 98 CZ -0.0110 0.0056 -0.0041 761 ARG 98 NH1 -0.0111 0.0059 -0.0046 762 ARG 98 NH2 -0.0115 0.0053 -0.0039 763 ARG 99 N -0.0080 0.0050 0.0001 764 ARG 99 CA -0.0079 0.0061 0.0003 765 ARG 99 C -0.0083 0.0057 0.0001 766 ARG 99 O -0.0080 0.0045 0.0000 767 ARG 99 CB -0.0065 0.0067 0.0008 768 ARG 99 CG -0.0055 0.0057 0.0011 769 ARG 99 CD -0.0042 0.0063 0.0016 770 ARG 99 NE -0.0032 0.0054 0.0018 771 ARG 99 CZ -0.0020 0.0056 0.0023 772 ARG 99 NH1 -0.0015 0.0068 0.0026 773 ARG 99 NH2 -0.0012 0.0047 0.0025 774 ILE 100 N -0.0103 0.0069 0.0013 775 ILE 100 CA -0.0098 0.0055 0.0007 776 ILE 100 C -0.0091 0.0060 0.0022 777 ILE 100 O -0.0099 0.0076 0.0027 778 ILE 100 CB -0.0110 0.0054 -0.0012 779 ILE 100 CG1 -0.0119 0.0051 -0.0027 780 ILE 100 CG2 -0.0103 0.0038 -0.0017 781 ILE 100 CD1 -0.0130 0.0047 -0.0047 782 PRO 101 N -0.0094 0.0059 0.0053 783 PRO 101 CA -0.0089 0.0051 0.0068 784 PRO 101 C -0.0086 0.0049 0.0064 785 PRO 101 O -0.0079 0.0044 0.0049 786 PRO 101 CB -0.0076 0.0037 0.0071 787 PRO 101 CG -0.0078 0.0040 0.0064 788 PRO 101 CD -0.0087 0.0052 0.0048 789 VAL 102 N -0.0076 0.0074 0.0092 790 VAL 102 CA -0.0086 0.0083 0.0083 791 VAL 102 C -0.0080 0.0067 0.0076 792 VAL 102 O -0.0090 0.0068 0.0060 793 VAL 102 CB -0.0090 0.0106 0.0100 794 VAL 102 CG1 -0.0099 0.0124 0.0102 795 VAL 102 CG2 -0.0074 0.0102 0.0124 796 ALA 103 N -0.0055 0.0023 0.0077 797 ALA 103 CA -0.0069 -0.0074 0.0037 798 ALA 103 C -0.0080 -0.0153 0.0018 799 ALA 103 O -0.0092 -0.0244 -0.0002 800 ALA 103 CB -0.0071 -0.0119 0.0115 801 THR 104 N -0.0063 -0.0079 0.0034 802 THR 104 CA -0.0052 -0.0078 0.0020 803 THR 104 C -0.0036 -0.0054 -0.0010 804 THR 104 O -0.0045 -0.0024 -0.0013 805 THR 104 CB -0.0070 -0.0065 0.0036 806 THR 104 OG1 -0.0086 -0.0084 0.0064 807 THR 104 CG2 -0.0058 -0.0069 0.0023 808 PRO 105 N -0.0003 -0.0043 0.0012 809 PRO 105 CA 0.0002 -0.0050 0.0035 810 PRO 105 C 0.0013 -0.0009 -0.0018 811 PRO 105 O -0.0001 -0.0023 -0.0018 812 PRO 105 CB 0.0056 -0.0040 0.0105 813 PRO 105 CG 0.0054 -0.0059 0.0136 814 PRO 105 CD 0.0033 -0.0041 0.0070 815 ASN 106 N 0.0022 -0.0005 0.0038 816 ASN 106 CA 0.0048 0.0008 -0.0055 817 ASN 106 C 0.0016 -0.0004 -0.0142 818 ASN 106 O 0.0044 0.0009 -0.0225 819 ASN 106 CB 0.0152 0.0052 -0.0062 820 ASN 106 CG 0.0189 0.0066 0.0018 821 ASN 106 OD1 0.0145 0.0047 0.0052 822 ASN 106 ND2 0.0273 0.0100 0.0051 823 ALA 107 N -0.0044 0.0016 -0.0040 824 ALA 107 CA -0.0061 0.0023 -0.0047 825 ALA 107 C -0.0079 0.0034 -0.0073 826 ALA 107 O -0.0095 0.0039 -0.0073 827 ALA 107 CB -0.0080 0.0023 -0.0021 828 ALA 108 N -0.0050 0.0046 -0.0065 829 ALA 108 CA -0.0083 -0.0005 -0.0095 830 ALA 108 C -0.0099 0.0005 -0.0089 831 ALA 108 O -0.0152 -0.0014 -0.0101 832 ALA 108 CB -0.0036 -0.0061 -0.0126 833 GLY 109 N -0.0113 0.0019 -0.0045 834 GLY 109 CA -0.0109 0.0034 -0.0038 835 GLY 109 C -0.0108 0.0040 -0.0024 836 GLY 109 O -0.0109 0.0040 -0.0024 837 ASP 110 N -0.0095 0.0029 -0.0005 838 ASP 110 CA -0.0085 0.0023 0.0002 839 ASP 110 C -0.0086 0.0028 0.0001 840 ASP 110 O -0.0088 0.0041 -0.0002 841 ASP 110 CB -0.0071 0.0028 0.0010 842 ASP 110 CG -0.0070 0.0024 0.0011 843 ASP 110 OD1 -0.0074 0.0011 0.0010 844 ASP 110 OD2 -0.0065 0.0035 0.0014 845 CYS 111 N -0.0061 -0.0000 0.0007 846 CYS 111 CA -0.0045 0.0013 0.0014 847 CYS 111 C -0.0048 0.0013 0.0017 848 CYS 111 O -0.0062 0.0008 0.0029 849 CYS 111 CB -0.0043 0.0023 0.0035 850 CYS 111 SG -0.0023 0.0040 0.0042 851 PHE 112 N -0.0011 0.0001 0.0003 852 PHE 112 CA -0.0003 0.0007 0.0006 853 PHE 112 C -0.0002 0.0002 0.0002 854 PHE 112 O 0.0008 0.0001 0.0000 855 PHE 112 CB -0.0008 0.0018 0.0013 856 PHE 112 CG 0.0001 0.0026 0.0017 857 PHE 112 CD1 -0.0004 0.0034 0.0022 858 PHE 112 CD2 0.0014 0.0026 0.0015 859 PHE 112 CE1 0.0003 0.0041 0.0026 860 PHE 112 CE2 0.0021 0.0033 0.0018 861 PHE 112 CZ 0.0016 0.0041 0.0023 862 HIS 113 N 0.0043 -0.0007 -0.0012 863 HIS 113 CA 0.0052 -0.0005 -0.0008 864 HIS 113 C 0.0044 -0.0009 -0.0011 865 HIS 113 O 0.0033 -0.0007 -0.0017 866 HIS 113 CB 0.0058 0.0010 -0.0007 867 HIS 113 CG 0.0068 0.0015 -0.0003 868 HIS 113 ND1 0.0079 0.0009 0.0004 869 HIS 113 CD2 0.0067 0.0025 -0.0005 870 HIS 113 CE1 0.0086 0.0015 0.0006 871 HIS 113 NE2 0.0079 0.0025 0.0001 872 THR 114 N 0.0031 -0.0006 -0.0021 873 THR 114 CA 0.0021 -0.0039 -0.0002 874 THR 114 C 0.0027 -0.0076 -0.0022 875 THR 114 O 0.0040 -0.0077 -0.0054 876 THR 114 CB 0.0019 -0.0040 0.0003 877 THR 114 OG1 0.0033 -0.0035 -0.0030 878 THR 114 CG2 0.0011 -0.0007 0.0027 879 ALA 115 N 0.0089 -0.0053 -0.0040 880 ALA 115 CA 0.0081 -0.0074 -0.0051 881 ALA 115 C 0.0106 -0.0070 -0.0028 882 ALA 115 O 0.0132 -0.0061 -0.0003 883 ALA 115 CB 0.0080 -0.0122 -0.0061 884 ARG 116 N 0.0129 -0.0127 -0.0009 885 ARG 116 CA 0.0154 -0.0112 0.0006 886 ARG 116 C 0.0178 -0.0117 -0.0002 887 ARG 116 O 0.0171 -0.0122 -0.0007 888 ARG 116 CB 0.0144 -0.0092 0.0031 889 ARG 116 CG 0.0126 -0.0083 0.0042 890 ARG 116 CD 0.0145 -0.0075 0.0050 891 ARG 116 NE 0.0125 -0.0069 0.0059 892 ARG 116 CZ 0.0134 -0.0055 0.0074 893 ARG 116 NH1 0.0159 -0.0044 0.0085 894 ARG 116 NH2 0.0121 -0.0055 0.0076 895 LEU 117 N 0.0206 -0.0087 0.0037 896 LEU 117 CA 0.0198 -0.0100 0.0038 897 LEU 117 C 0.0203 -0.0068 0.0032 898 LEU 117 O 0.0233 -0.0054 0.0037 899 LEU 117 CB 0.0224 -0.0130 0.0052 900 LEU 117 CG 0.0215 -0.0149 0.0054 901 LEU 117 CD1 0.0180 -0.0173 0.0050 902 LEU 117 CD2 0.0246 -0.0170 0.0068 903 SER 118 N 0.0239 -0.0021 0.0083 904 SER 118 CA 0.0243 0.0027 0.0084 905 SER 118 C 0.0262 0.0051 0.0077 906 SER 118 O 0.0258 0.0038 0.0078 907 SER 118 CB 0.0202 0.0048 0.0105 908 SER 118 OG 0.0180 0.0025 0.0114 909 THR 119 N 0.0240 0.0168 0.0089 910 THR 119 CA 0.0277 0.0190 0.0090 911 THR 119 C 0.0194 0.0182 0.0087 912 THR 119 O 0.0111 0.0225 0.0084 913 THR 119 CB 0.0322 0.0297 0.0092 914 THR 119 OG1 0.0401 0.0312 0.0095 915 THR 119 CG2 0.0373 0.0316 0.0093 916 GLY 120 N 0.0174 0.0163 0.0052 917 GLY 120 CA 0.0087 0.0106 0.0018 918 GLY 120 C 0.0034 0.0032 0.0011 919 GLY 120 O -0.0032 -0.0033 -0.0006 920 SER 121 N 0.0115 -0.0005 0.0057 921 SER 121 CA 0.0084 -0.0061 0.0081 922 SER 121 C 0.0102 -0.0121 0.0112 923 SER 121 O 0.0156 -0.0125 0.0120 924 SER 121 CB 0.0100 -0.0066 0.0086 925 SER 121 OG 0.0167 -0.0090 0.0104 926 ARG 122 N 0.0073 -0.0129 0.0126 927 ARG 122 CA 0.0060 -0.0207 0.0232 928 ARG 122 C 0.0158 -0.0302 0.0337 929 ARG 122 O 0.0165 -0.0376 0.0433 930 ARG 122 CB -0.0113 -0.0222 0.0288 931 ARG 122 CG -0.0218 -0.0140 0.0203 932 ARG 122 CD -0.0383 -0.0162 0.0268 933 ARG 122 NE -0.0473 -0.0078 0.0175 934 ARG 122 CZ -0.0604 -0.0021 0.0128 935 ARG 122 NH1 -0.0662 -0.0031 0.0154 936 ARG 122 NH2 -0.0680 0.0048 0.0053 937 GLY 123 N 0.0167 -0.0174 0.0161 938 GLY 123 CA 0.0105 -0.0194 0.0103 939 GLY 123 C 0.0098 -0.0222 0.0034 940 GLY 123 O 0.0134 -0.0226 0.0033 941 PRO 124 N 0.0053 -0.0215 -0.0058 942 PRO 124 CA 0.0021 -0.0194 -0.0048 943 PRO 124 C 0.0019 -0.0195 -0.0045 944 PRO 124 O 0.0043 -0.0199 -0.0060 945 PRO 124 CB 0.0019 -0.0157 -0.0067 946 PRO 124 CG 0.0055 -0.0155 -0.0092 947 PRO 124 CD 0.0074 -0.0193 -0.0085 948 ALA 125 N 0.0091 -0.0197 -0.0036 949 ALA 125 CA 0.0086 -0.0190 -0.0036 950 ALA 125 C 0.0081 -0.0172 -0.0043 951 ALA 125 O 0.0071 -0.0164 -0.0039 952 ALA 125 CB 0.0073 -0.0196 -0.0021 953 THR 126 N 0.0063 -0.0167 -0.0088 954 THR 126 CA 0.0073 -0.0131 -0.0084 955 THR 126 C 0.0088 -0.0117 -0.0088 956 THR 126 O 0.0110 -0.0131 -0.0102 957 THR 126 CB 0.0100 -0.0122 -0.0095 958 THR 126 OG1 0.0089 -0.0134 -0.0093 959 THR 126 CG2 0.0109 -0.0083 -0.0090 960 ILE 127 N 0.0099 -0.0084 -0.0066 961 ILE 127 CA 0.0107 -0.0059 -0.0071 962 ILE 127 C 0.0111 -0.0045 -0.0071 963 ILE 127 O 0.0105 -0.0047 -0.0055 964 ILE 127 CB 0.0105 -0.0046 -0.0052 965 ILE 127 CG1 0.0101 -0.0058 -0.0052 966 ILE 127 CG2 0.0113 -0.0019 -0.0058 967 ILE 127 CD1 0.0098 -0.0048 -0.0032 968 SER 128 N 0.0191 -0.0065 -0.0010 969 SER 128 CA 0.0194 -0.0049 -0.0016 970 SER 128 C 0.0197 -0.0055 -0.0012 971 SER 128 O 0.0208 -0.0067 -0.0002 972 SER 128 CB 0.0211 -0.0032 -0.0016 973 SER 128 OG 0.0229 -0.0039 -0.0004 974 TRP 129 N 0.0156 -0.0023 0.0014 975 TRP 129 CA 0.0163 -0.0029 0.0018 976 TRP 129 C 0.0167 -0.0006 0.0017 977 TRP 129 O 0.0158 0.0012 0.0012 978 TRP 129 CB 0.0146 -0.0046 0.0011 979 TRP 129 CG 0.0123 -0.0035 0.0000 980 TRP 129 CD1 0.0114 -0.0023 -0.0004 981 TRP 129 CD2 0.0104 -0.0038 -0.0008 982 TRP 129 NE1 0.0092 -0.0017 -0.0015 983 TRP 129 CE2 0.0086 -0.0027 -0.0017 984 TRP 129 CE3 0.0103 -0.0049 -0.0008 985 TRP 129 CZ2 0.0065 -0.0026 -0.0026 986 TRP 129 CZ3 0.0082 -0.0049 -0.0017 987 TRP 129 CH2 0.0063 -0.0038 -0.0026 988 ASP 130 N 0.0163 -0.0071 0.0063 989 ASP 130 CA 0.0158 -0.0067 0.0042 990 ASP 130 C 0.0142 -0.0070 0.0017 991 ASP 130 O 0.0124 -0.0083 0.0019 992 ASP 130 CB 0.0150 -0.0077 0.0054 993 ASP 130 CG 0.0168 -0.0071 0.0076 994 ASP 130 OD1 0.0189 -0.0056 0.0074 995 ASP 130 OD2 0.0162 -0.0083 0.0097 996 ALA 131 N 0.0136 -0.0069 0.0008 997 ALA 131 CA 0.0134 -0.0065 0.0020 998 ALA 131 C 0.0100 -0.0036 0.0015 999 ALA 131 O 0.0085 -0.0027 -0.0020 1000 ALA 131 CB 0.0158 -0.0089 -0.0003 1001 ASP 132 N 0.0038 0.0008 0.0029 1002 ASP 132 CA 0.0014 0.0039 0.0031 1003 ASP 132 C -0.0010 0.0046 0.0055 1004 ASP 132 O -0.0016 0.0025 0.0082 1005 ASP 132 CB 0.0009 0.0037 0.0039 1006 ASP 132 CG -0.0014 0.0070 0.0038 1007 ASP 132 OD1 -0.0027 0.0094 0.0033 1008 ASP 132 OD2 -0.0018 0.0071 0.0042 1009 ALA 133 N -0.0070 0.0052 0.0068 1010 ALA 133 CA -0.0078 0.0059 0.0095 1011 ALA 133 C -0.0084 0.0086 0.0110 1012 ALA 133 O -0.0091 0.0095 0.0134 1013 ALA 133 CB -0.0077 0.0068 0.0090 1014 SER 134 N -0.0073 0.0094 0.0107 1015 SER 134 CA -0.0060 0.0101 0.0105 1016 SER 134 C -0.0065 0.0095 0.0096 1017 SER 134 O -0.0055 0.0100 0.0095 1018 SER 134 CB -0.0042 0.0107 0.0095 1019 SER 134 OG -0.0041 0.0101 0.0074 1020 TYR 135 N -0.0051 0.0078 0.0073 1021 TYR 135 CA -0.0054 0.0074 0.0072 1022 TYR 135 C -0.0060 0.0071 0.0076 1023 TYR 135 O -0.0063 0.0069 0.0077 1024 TYR 135 CB -0.0053 0.0070 0.0064 1025 TYR 135 CG -0.0047 0.0073 0.0059 1026 TYR 135 CD1 -0.0045 0.0074 0.0056 1027 TYR 135 CD2 -0.0044 0.0075 0.0057 1028 TYR 135 CE1 -0.0039 0.0076 0.0051 1029 TYR 135 CE2 -0.0039 0.0077 0.0052 1030 TYR 135 CZ -0.0036 0.0078 0.0049 1031 TYR 135 OH -0.0031 0.0081 0.0045 1032 THR 136 N -0.0053 0.0064 0.0053 1033 THR 136 CA -0.0068 0.0072 0.0044 1034 THR 136 C -0.0074 0.0072 0.0032 1035 THR 136 O -0.0065 0.0064 0.0023 1036 THR 136 CB -0.0068 0.0069 0.0033 1037 THR 136 OG1 -0.0063 0.0068 0.0043 1038 THR 136 CG2 -0.0084 0.0077 0.0024 1039 TYR 137 N -0.0044 0.0042 0.0003 1040 TYR 137 CA -0.0049 0.0043 -0.0005 1041 TYR 137 C -0.0061 0.0046 -0.0021 1042 TYR 137 O -0.0070 0.0053 -0.0021 1043 TYR 137 CB -0.0054 0.0053 0.0006 1044 TYR 137 CG -0.0043 0.0051 0.0022 1045 TYR 137 CD1 -0.0033 0.0043 0.0023 1046 TYR 137 CD2 -0.0042 0.0057 0.0036 1047 TYR 137 CE1 -0.0023 0.0041 0.0038 1048 TYR 137 CE2 -0.0031 0.0055 0.0051 1049 TYR 137 CZ -0.0022 0.0048 0.0052 1050 TYR 137 OH -0.0012 0.0047 0.0067 1051 TYR 138 N -0.0070 0.0080 -0.0054 1052 TYR 138 CA -0.0083 0.0075 -0.0061 1053 TYR 138 C -0.0079 0.0069 -0.0060 1054 TYR 138 O -0.0070 0.0057 -0.0057 1055 TYR 138 CB -0.0090 0.0060 -0.0066 1056 TYR 138 CG -0.0096 0.0065 -0.0068 1057 TYR 138 CD1 -0.0111 0.0069 -0.0074 1058 TYR 138 CD2 -0.0085 0.0065 -0.0063 1059 TYR 138 CE1 -0.0116 0.0073 -0.0076 1060 TYR 138 CE2 -0.0090 0.0071 -0.0064 1061 TYR 138 CZ -0.0105 0.0074 -0.0071 1062 TYR 138 OH -0.0110 0.0079 -0.0072 1063 LEU 139 N -0.0068 0.0092 -0.0094 1064 LEU 139 CA -0.0055 0.0084 -0.0087 1065 LEU 139 C -0.0065 0.0073 -0.0082 1066 LEU 139 O -0.0078 0.0078 -0.0087 1067 LEU 139 CB -0.0043 0.0097 -0.0093 1068 LEU 139 CG -0.0029 0.0091 -0.0087 1069 LEU 139 CD1 -0.0015 0.0081 -0.0079 1070 LEU 139 CD2 -0.0020 0.0105 -0.0094 1071 THR 140 N -0.0070 0.0116 -0.0138 1072 THR 140 CA -0.0072 0.0106 -0.0124 1073 THR 140 C -0.0053 0.0099 -0.0117 1074 THR 140 O -0.0044 0.0095 -0.0114 1075 THR 140 CB -0.0087 0.0099 -0.0111 1076 THR 140 OG1 -0.0106 0.0105 -0.0117 1077 THR 140 CG2 -0.0089 0.0089 -0.0098 1078 ILE 141 N 0.0007 0.0077 -0.0104 1079 ILE 141 CA 0.0018 0.0073 -0.0099 1080 ILE 141 C 0.0015 0.0069 -0.0090 1081 ILE 141 O 0.0012 0.0070 -0.0091 1082 ILE 141 CB 0.0027 0.0076 -0.0106 1083 ILE 141 CG1 0.0029 0.0081 -0.0116 1084 ILE 141 CG2 0.0038 0.0071 -0.0100 1085 ILE 141 CD1 0.0037 0.0084 -0.0123 1086 SER 142 N 0.0060 0.0076 -0.0109 1087 SER 142 CA 0.0045 0.0054 -0.0078 1088 SER 142 C 0.0081 0.0031 -0.0049 1089 SER 142 O 0.0101 0.0026 -0.0043 1090 SER 142 CB -0.0000 0.0042 -0.0060 1091 SER 142 OG -0.0019 0.0024 -0.0035 1092 GLU 143 N 0.0158 -0.0000 -0.0029 1093 GLU 143 CA 0.0189 -0.0005 0.0034 1094 GLU 143 C 0.0140 -0.0022 0.0086 1095 GLU 143 O 0.0087 -0.0030 0.0078 1096 GLU 143 CB 0.0231 0.0001 0.0041 1097 GLU 143 CG 0.0280 0.0000 0.0097 1098 GLU 143 CD 0.0325 0.0008 0.0097 1099 GLU 143 OE1 0.0361 0.0006 0.0145 1100 GLU 143 OE2 0.0325 0.0015 0.0049 1101 ASP 144 N 0.0190 -0.0033 0.0120 1102 ASP 144 CA 0.0161 -0.0045 0.0159 1103 ASP 144 C 0.0144 -0.0058 0.0199 1104 ASP 144 O 0.0158 -0.0059 0.0199 1105 ASP 144 CB 0.0193 -0.0055 0.0181 1106 ASP 144 CG 0.0193 -0.0045 0.0154 1107 ASP 144 OD1 0.0153 -0.0036 0.0137 1108 ASP 144 OD2 0.0232 -0.0048 0.0153 1109 ASP 144 OXT 0.0116 -0.0068 0.0232