REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1xdv_1_B DATA FIRST_RESID 200 DATA SEQUENCE TYYDLVKAFM AEIRQYIREL NLIIKVFREP FVSNSKLFSA NDVENIFSRI DATA SEQUENCE VDIHELSVKL LGHIEDTVEM TDEGSPHPLV GSCFEDLAEE LAFDPYESYA DATA SEQUENCE RDILRPGFHD RFLSQLSKPG AALYLQSIGE GFKEAVQYVL PRLLLAPVYH DATA SEQUENCE CLHYFELLKQ LEEKSEDQED KECLKQAITA LLNVQSGMEK ICSKSLAKRR DATA SEQUENCE LSESAXXXXX XXXXXXXXXI KKMNEIQKNI DGWEGKDIGQ CCNEFIMEGT DATA SEQUENCE LTRVGAKHER HIFLFDGLMI CCKSNXXXXX XXXXXXXEYR LKEKFFMRKV DATA SEQUENCE QINDKDDTNE YKHAFEIILK DENSVIFSAK SAEEKNNWMA ALISLQYRST DATA SEQUENCE LXXXXXXXXX XXXXXXXXRL PSADVYRFAE PDSEENIIFE EXXXXXXGIP DATA SEQUENCE IIKAGTVIKL IERLTYHMYA DPNFVRTFLT TYRSFCKPQE LLSLIIERFE DATA SEQUENCE IPEPXXXXXX XXXXXXXXXX XXXXXXRFRK EYIQPVQLRV LNVCRHWVEH DATA SEQUENCE HFYDFERDAY LLQRMEEFIG TVRGKAMKKW VESITKIIQR KKXXXXXXXX DATA SEQUENCE XXXXXXXSPP TVEWHISRPG HIETFDLLTL HPIEIARQLT LLESDLYRAV DATA SEQUENCE QPSELVGSVW TKEDKEINSP NLLKMIRHTT NLTLWFEKCI VETENLEERV DATA SEQUENCE AVVSRIIEIL QVFQELNNFN GVLEVVSAMN SSPVYRLDHT FEQIPSRQKK DATA SEQUENCE ILEEAHELSE DHYKKYLAKL RSINPPCVPF FGIYLTNILK TEEGNPEVLK DATA SEQUENCE RHGKELINFS KRRKVAEITG EIQQYQNQPY CLRVESDIKR FFENLNPMGN DATA SEQUENCE SMEKEFTDYL FNKSLEIEPR NPKPLPRFPK KYSYPLKSPG VRPSN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 200 T HA 0.000 nan 4.350 nan 0.000 0.228 200 T C 0.000 174.784 174.700 0.140 0.000 1.109 200 T CA 0.000 62.179 62.100 0.132 0.000 1.349 200 T CB 0.000 68.979 68.868 0.184 0.000 0.612 201 Y N 0.610 120.911 120.300 0.002 0.000 2.165 201 Y HA -0.142 4.408 4.550 -0.001 0.000 0.286 201 Y C 2.207 178.084 175.900 -0.039 0.000 1.155 201 Y CA 2.200 60.228 58.100 -0.119 0.000 1.164 201 Y CB -0.350 37.859 38.460 -0.419 0.000 0.978 201 Y HN 0.785 nan 8.280 nan 0.000 0.513 202 Y N 1.254 121.661 120.300 0.179 0.000 2.242 202 Y HA -0.207 4.343 4.550 -0.001 0.000 0.291 202 Y C 2.111 178.061 175.900 0.084 0.000 1.137 202 Y CA 1.878 60.074 58.100 0.159 0.000 1.181 202 Y CB -0.614 37.957 38.460 0.186 0.000 0.989 202 Y HN 0.218 nan 8.280 nan 0.000 0.527 203 D N -0.006 120.413 120.400 0.032 0.000 2.117 203 D HA -0.191 4.448 4.640 -0.001 0.000 0.197 203 D C 2.375 178.623 176.300 -0.088 0.000 0.987 203 D CA 1.504 55.465 54.000 -0.066 0.000 0.829 203 D CB -0.439 40.367 40.800 0.010 0.000 0.961 203 D HN 0.377 nan 8.370 nan 0.000 0.460 204 L N 0.599 121.777 121.223 -0.076 0.000 2.046 204 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 204 L C 2.604 179.436 176.870 -0.063 0.000 1.077 204 L CA 0.665 55.454 54.840 -0.086 0.000 0.747 204 L CB -0.430 41.523 42.059 -0.176 0.000 0.896 204 L HN -0.058 nan 8.230 nan 0.000 0.432 205 V N -0.000 119.839 119.914 -0.124 0.000 2.358 205 V HA -0.265 3.854 4.120 -0.001 0.000 0.246 205 V C 2.453 178.552 176.094 0.009 0.000 1.047 205 V CA 1.712 64.002 62.300 -0.017 0.000 1.035 205 V CB -0.544 31.291 31.823 0.021 0.000 0.658 205 V HN 0.453 nan 8.190 nan 0.000 0.452 206 K N 0.658 120.953 120.400 -0.176 0.000 2.026 206 K HA -0.098 4.221 4.320 -0.001 0.000 0.208 206 K C 2.357 178.931 176.600 -0.044 0.000 1.048 206 K CA 1.492 57.675 56.287 -0.173 0.000 0.929 206 K CB -0.479 31.834 32.500 -0.311 0.000 0.713 206 K HN 0.446 nan 8.250 nan 0.000 0.439 207 A N 1.456 124.266 122.820 -0.016 0.000 1.877 207 A HA -0.190 4.130 4.320 -0.001 0.000 0.216 207 A C 2.044 179.683 177.584 0.091 0.000 1.186 207 A CA 1.307 53.361 52.037 0.028 0.000 0.620 207 A CB -0.760 18.261 19.000 0.036 0.000 0.822 207 A HN 0.352 nan 8.150 nan 0.000 0.443 208 F N 0.354 120.316 119.950 0.020 0.000 2.171 208 F HA -0.170 4.356 4.527 -0.001 0.000 0.300 208 F C 2.272 178.137 175.800 0.108 0.000 1.090 208 F CA 1.945 59.999 58.000 0.090 0.000 1.293 208 F CB -0.307 38.753 39.000 0.100 0.000 1.013 208 F HN 0.160 nan 8.300 nan 0.000 0.486 209 M N -0.270 119.331 119.600 0.002 0.000 2.159 209 M HA -0.171 4.309 4.480 -0.001 0.000 0.263 209 M C 2.443 178.677 176.300 -0.111 0.000 1.063 209 M CA 1.679 56.932 55.300 -0.078 0.000 1.110 209 M CB -0.776 31.841 32.600 0.028 0.000 1.374 209 M HN 0.273 nan 8.290 nan 0.000 0.411 210 A N 0.419 123.199 122.820 -0.066 0.000 1.930 210 A HA -0.153 4.167 4.320 -0.001 0.000 0.217 210 A C 1.916 179.461 177.584 -0.065 0.000 1.175 210 A CA 1.556 53.564 52.037 -0.049 0.000 0.627 210 A CB -0.581 18.402 19.000 -0.027 0.000 0.815 210 A HN 0.536 nan 8.150 nan 0.000 0.443 211 E N -0.521 119.622 120.200 -0.095 0.000 2.051 211 E HA -0.140 4.210 4.350 -0.001 0.000 0.192 211 E C 1.912 178.469 176.600 -0.070 0.000 0.991 211 E CA 1.192 57.547 56.400 -0.075 0.000 0.799 211 E CB -0.270 29.396 29.700 -0.056 0.000 0.748 211 E HN 0.679 nan 8.360 nan 0.000 0.449 212 I N 0.884 121.316 120.570 -0.229 0.000 2.614 212 I HA -0.217 3.953 4.170 -0.001 0.000 0.258 212 I C 2.170 178.265 176.117 -0.035 0.000 1.189 212 I CA 0.814 62.041 61.300 -0.122 0.000 1.462 212 I CB 0.097 37.910 38.000 -0.311 0.000 1.092 212 I HN 0.005 nan 8.210 nan 0.000 0.442 213 R N -0.238 120.226 120.500 -0.061 0.000 2.090 213 R HA -0.130 4.209 4.340 -0.001 0.000 0.228 213 R C 2.285 178.581 176.300 -0.008 0.000 1.110 213 R CA 0.821 56.901 56.100 -0.033 0.000 0.973 213 R CB -0.226 30.056 30.300 -0.030 0.000 0.869 213 R HN 0.344 nan 8.270 nan 0.000 0.440 214 Q N -0.103 119.702 119.800 0.009 0.000 2.049 214 Q HA -0.174 4.166 4.340 -0.001 0.000 0.198 214 Q C 1.787 177.821 176.000 0.056 0.000 0.971 214 Q CA 1.536 57.356 55.803 0.028 0.000 0.833 214 Q CB -0.269 28.486 28.738 0.028 0.000 0.896 214 Q HN 0.345 nan 8.270 nan 0.000 0.434 215 Y N 0.949 121.194 120.300 -0.091 0.000 2.128 215 Y HA -0.201 4.349 4.550 -0.001 0.000 0.284 215 Y C 2.110 177.941 175.900 -0.117 0.000 1.154 215 Y CA 1.565 59.583 58.100 -0.136 0.000 1.149 215 Y CB -0.512 37.764 38.460 -0.306 0.000 0.976 215 Y HN 0.064 nan 8.280 nan 0.000 0.505 216 I N 0.148 120.612 120.570 -0.176 0.000 2.264 216 I HA -0.339 3.830 4.170 -0.001 0.000 0.248 216 I C 2.776 178.824 176.117 -0.116 0.000 1.111 216 I CA 1.755 62.916 61.300 -0.231 0.000 1.382 216 I CB -0.444 37.471 38.000 -0.141 0.000 1.060 216 I HN 0.215 nan 8.210 nan 0.000 0.418 217 R N 1.218 121.683 120.500 -0.057 0.000 2.096 217 R HA -0.193 4.146 4.340 -0.001 0.000 0.235 217 R C 2.024 178.314 176.300 -0.016 0.000 1.127 217 R CA 1.633 57.724 56.100 -0.014 0.000 0.968 217 R CB -0.099 30.206 30.300 0.009 0.000 0.861 217 R HN 0.406 nan 8.270 nan 0.000 0.440 218 E N 0.469 120.646 120.200 -0.038 0.000 2.106 218 E HA -0.170 4.180 4.350 -0.001 0.000 0.192 218 E C 2.103 178.663 176.600 -0.067 0.000 0.984 218 E CA 1.272 57.661 56.400 -0.018 0.000 0.806 218 E CB -0.057 29.648 29.700 0.010 0.000 0.750 218 E HN 0.367 nan 8.360 nan 0.000 0.458 219 L N 1.217 122.319 121.223 -0.201 0.000 2.046 219 L HA -0.187 4.153 4.340 -0.001 0.000 0.208 219 L C 2.174 178.992 176.870 -0.087 0.000 1.077 219 L CA 0.714 55.441 54.840 -0.188 0.000 0.747 219 L CB -0.508 41.376 42.059 -0.291 0.000 0.896 219 L HN 0.154 nan 8.230 nan 0.000 0.432 220 N N 0.278 118.946 118.700 -0.052 0.000 2.120 220 N HA -0.192 4.547 4.740 -0.001 0.000 0.188 220 N C 1.845 177.337 175.510 -0.031 0.000 1.024 220 N CA 1.216 54.218 53.050 -0.080 0.000 0.852 220 N CB -0.317 38.154 38.487 -0.028 0.000 1.003 220 N HN 0.163 nan 8.380 nan 0.000 0.424 221 L N 1.599 122.843 121.223 0.035 0.000 2.012 221 L HA -0.053 4.287 4.340 -0.001 0.000 0.210 221 L C 2.091 179.103 176.870 0.237 0.000 1.073 221 L CA 1.300 56.211 54.840 0.118 0.000 0.748 221 L CB -0.596 41.570 42.059 0.177 0.000 0.891 221 L HN 0.106 nan 8.230 nan 0.000 0.431 222 I N -0.931 119.776 120.570 0.227 0.000 2.163 222 I HA -0.348 3.821 4.170 -0.001 0.000 0.243 222 I C 2.366 178.591 176.117 0.180 0.000 1.085 222 I CA 1.726 63.206 61.300 0.300 0.000 1.347 222 I CB -0.250 37.842 38.000 0.153 0.000 1.044 222 I HN 0.275 nan 8.210 nan 0.000 0.408 223 I N 0.876 121.447 120.570 0.001 0.000 2.193 223 I HA -0.269 3.901 4.170 -0.001 0.000 0.240 223 I C 2.617 178.667 176.117 -0.112 0.000 1.084 223 I CA 1.439 62.664 61.300 -0.125 0.000 1.365 223 I CB -0.352 37.515 38.000 -0.222 0.000 1.064 223 I HN 0.241 nan 8.210 nan 0.000 0.410 224 K N 0.555 120.901 120.400 -0.090 0.000 2.116 224 K HA -0.011 4.308 4.320 -0.001 0.000 0.203 224 K C 1.748 178.300 176.600 -0.081 0.000 1.052 224 K CA 1.125 57.357 56.287 -0.092 0.000 0.952 224 K CB -0.293 32.151 32.500 -0.094 0.000 0.729 224 K HN 0.096 nan 8.250 nan 0.000 0.446 225 V N 0.160 120.039 119.914 -0.059 0.000 2.436 225 V HA -0.009 4.110 4.120 -0.001 0.000 0.240 225 V C 1.839 177.889 176.094 -0.074 0.000 1.040 225 V CA 0.991 63.195 62.300 -0.160 0.000 1.052 225 V CB -0.449 31.195 31.823 -0.298 0.000 0.707 225 V HN 0.167 nan 8.190 nan 0.000 0.469 226 F N 0.221 120.325 119.950 0.257 0.000 2.262 226 F HA 0.128 4.654 4.527 -0.001 0.000 0.292 226 F C 2.542 178.621 175.800 0.466 0.000 1.081 226 F CA 1.351 59.633 58.000 0.469 0.000 1.355 226 F CB -0.281 38.954 39.000 0.392 0.000 1.069 226 F HN -0.093 nan 8.300 nan 0.000 0.506 227 R N 0.505 121.081 120.500 0.127 0.000 2.080 227 R HA -0.114 4.225 4.340 -0.001 0.000 0.222 227 R C 2.130 178.367 176.300 -0.104 0.000 1.107 227 R CA 1.126 56.914 56.100 -0.519 0.000 0.980 227 R CB -0.178 29.413 30.300 -1.181 0.000 0.879 227 R HN 0.076 nan 8.270 nan 0.000 0.439 228 E N 0.733 120.899 120.200 -0.056 0.000 2.097 228 E HA -0.136 4.214 4.350 -0.001 0.000 0.196 228 E C -1.023 175.603 176.600 0.043 0.000 1.000 228 E CA 1.719 58.098 56.400 -0.035 0.000 0.804 228 E CB -0.804 28.854 29.700 -0.069 0.000 0.740 228 E HN 0.349 nan 8.360 nan 0.000 0.454 229 P HA -0.084 nan 4.420 nan 0.000 0.220 229 P C 0.724 178.147 177.300 0.204 0.000 1.148 229 P CA 1.082 64.231 63.100 0.081 0.000 0.803 229 P CB -0.079 31.551 31.700 -0.118 0.000 0.782 230 F N -1.283 118.723 119.950 0.092 0.000 2.187 230 F HA -0.102 4.425 4.527 -0.001 0.000 0.295 230 F C 2.299 178.120 175.800 0.035 0.000 1.091 230 F CA 0.930 58.891 58.000 -0.065 0.000 1.308 230 F CB -1.410 37.419 39.000 -0.285 0.000 1.030 230 F HN -0.300 nan 8.300 nan 0.000 0.487 231 V N -0.935 119.092 119.914 0.189 0.000 2.343 231 V HA -0.268 3.852 4.120 -0.001 0.000 0.247 231 V C 2.276 178.427 176.094 0.095 0.000 1.051 231 V CA 2.128 64.489 62.300 0.102 0.000 1.036 231 V CB -0.884 30.948 31.823 0.015 0.000 0.654 231 V HN 0.279 nan 8.190 nan 0.000 0.451 232 S N -0.084 115.673 115.700 0.095 0.000 2.399 232 S HA -0.100 4.369 4.470 -0.001 0.000 0.231 232 S C 1.373 176.008 174.600 0.059 0.000 1.022 232 S CA 0.800 59.044 58.200 0.073 0.000 0.983 232 S CB -0.341 62.908 63.200 0.082 0.000 0.803 232 S HN 0.583 nan 8.310 nan 0.000 0.480 233 N N 1.457 120.196 118.700 0.064 0.000 3.083 233 N HA 0.232 4.972 4.740 -0.001 0.000 0.260 233 N C 0.719 176.240 175.510 0.018 0.000 1.163 233 N CA -0.007 52.990 53.050 -0.088 0.000 1.060 233 N CB 0.464 38.654 38.487 -0.495 0.000 1.345 233 N HN 0.075 nan 8.380 nan 0.000 0.515 234 S N 2.076 117.785 115.700 0.015 0.000 2.400 234 S HA -0.122 4.348 4.470 -0.001 0.000 0.232 234 S C 1.470 176.062 174.600 -0.015 0.000 1.025 234 S CA 1.429 59.648 58.200 0.031 0.000 0.993 234 S CB 0.242 63.450 63.200 0.014 0.000 0.808 234 S HN 0.451 nan 8.310 nan 0.000 0.478 235 K N 1.046 121.401 120.400 -0.075 0.000 2.097 235 K HA 0.150 4.470 4.320 -0.001 0.000 0.205 235 K C 1.907 178.398 176.600 -0.181 0.000 1.050 235 K CA 0.904 57.125 56.287 -0.111 0.000 0.938 235 K CB -0.387 32.040 32.500 -0.122 0.000 0.718 235 K HN 0.322 nan 8.250 nan 0.000 0.442 236 L N -0.919 120.130 121.223 -0.289 0.000 2.162 236 L HA 0.135 4.474 4.340 -0.001 0.000 0.205 236 L C -0.236 176.218 176.870 -0.693 0.000 1.086 236 L CA 0.427 54.924 54.840 -0.571 0.000 0.778 236 L CB 0.320 41.850 42.059 -0.881 0.000 0.928 236 L HN 0.040 nan 8.230 nan 0.000 0.446 237 F N -0.921 119.024 119.950 -0.007 0.000 2.518 237 F HA 0.277 4.804 4.527 -0.001 0.000 0.323 237 F C 0.675 176.510 175.800 0.058 0.000 1.129 237 F CA -1.027 57.017 58.000 0.074 0.000 0.920 237 F CB 1.363 40.487 39.000 0.208 0.000 1.160 237 F HN -0.181 nan 8.300 nan 0.000 0.440 238 S N 1.471 117.295 115.700 0.205 0.000 2.641 238 S HA 0.565 5.034 4.470 -0.001 0.000 0.261 238 S C 1.271 175.961 174.600 0.150 0.000 1.257 238 S CA -0.228 58.049 58.200 0.130 0.000 0.983 238 S CB 1.207 64.456 63.200 0.081 0.000 0.990 238 S HN 0.795 nan 8.310 nan 0.000 0.572 239 A N 1.021 123.901 122.820 0.100 0.000 1.908 239 A HA -0.149 4.171 4.320 -0.001 0.000 0.218 239 A C 2.071 179.712 177.584 0.095 0.000 1.181 239 A CA 1.796 53.887 52.037 0.089 0.000 0.627 239 A CB -1.550 17.486 19.000 0.060 0.000 0.818 239 A HN 0.929 nan 8.150 nan 0.000 0.445 240 N N -0.219 118.532 118.700 0.085 0.000 2.120 240 N HA -0.157 4.582 4.740 -0.001 0.000 0.188 240 N C 1.067 176.636 175.510 0.098 0.000 1.024 240 N CA 1.175 54.272 53.050 0.078 0.000 0.852 240 N CB -0.228 38.294 38.487 0.060 0.000 1.003 240 N HN 0.455 nan 8.380 nan 0.000 0.424 241 D N 0.795 121.277 120.400 0.138 0.000 2.104 241 D HA -0.126 4.514 4.640 -0.001 0.000 0.194 241 D C 2.146 178.536 176.300 0.149 0.000 0.994 241 D CA 0.905 55.014 54.000 0.181 0.000 0.830 241 D CB -0.426 40.583 40.800 0.348 0.000 0.959 241 D HN 0.066 nan 8.370 nan 0.000 0.452 242 V N 1.088 121.105 119.914 0.171 0.000 2.261 242 V HA -0.246 3.874 4.120 -0.001 0.000 0.246 242 V C 2.508 178.720 176.094 0.196 0.000 1.047 242 V CA 1.869 64.274 62.300 0.174 0.000 1.015 242 V CB -0.560 31.346 31.823 0.139 0.000 0.642 242 V HN 0.096 nan 8.190 nan 0.000 0.446 243 E N 1.289 121.569 120.200 0.133 0.000 2.070 243 E HA -0.262 4.088 4.350 -0.001 0.000 0.197 243 E C 1.849 178.502 176.600 0.088 0.000 1.004 243 E CA 2.238 58.703 56.400 0.109 0.000 0.805 243 E CB -0.611 29.136 29.700 0.078 0.000 0.744 243 E HN 0.738 nan 8.360 nan 0.000 0.451 244 N N -0.855 117.884 118.700 0.065 0.000 2.520 244 N HA -0.053 4.686 4.740 -0.001 0.000 0.185 244 N C 1.382 176.902 175.510 0.016 0.000 1.068 244 N CA 0.768 53.840 53.050 0.038 0.000 0.911 244 N CB 0.094 38.590 38.487 0.015 0.000 0.961 244 N HN 0.279 nan 8.380 nan 0.000 0.446 245 I N -1.293 119.252 120.570 -0.041 0.000 3.194 245 I HA 0.007 4.176 4.170 -0.001 0.000 0.271 245 I C 0.576 176.503 176.117 -0.316 0.000 1.150 245 I CA 0.514 61.668 61.300 -0.243 0.000 1.440 245 I CB 0.224 37.870 38.000 -0.590 0.000 1.276 245 I HN -0.019 nan 8.210 nan 0.000 0.457 246 F N 0.225 120.155 119.950 -0.033 0.000 2.721 246 F HA 0.261 4.787 4.527 -0.001 0.000 0.301 246 F C 1.661 177.490 175.800 0.048 0.000 1.096 246 F CA 0.221 58.218 58.000 -0.004 0.000 1.308 246 F CB -0.110 38.873 39.000 -0.029 0.000 1.086 246 F HN -0.021 nan 8.300 nan 0.000 0.587 247 S N 0.869 116.658 115.700 0.147 0.000 3.711 247 S HA -0.317 4.152 4.470 -0.001 0.000 0.625 247 S C 1.441 176.158 174.600 0.195 0.000 2.458 247 S CA 1.299 59.557 58.200 0.098 0.000 4.059 247 S CB -0.517 62.608 63.200 -0.125 0.000 0.257 247 S HN 0.345 nan 8.310 nan 0.000 0.974 248 R N 1.118 121.778 120.500 0.267 0.000 2.340 248 R HA 0.176 4.515 4.340 -0.001 0.000 0.215 248 R C 1.724 178.081 176.300 0.094 0.000 1.017 248 R CA 0.591 56.791 56.100 0.166 0.000 1.111 248 R CB -1.528 28.844 30.300 0.120 0.000 1.049 248 R HN 0.594 nan 8.270 nan 0.000 0.490 249 I N 0.475 121.150 120.570 0.176 0.000 2.185 249 I HA -0.326 3.844 4.170 -0.001 0.000 0.246 249 I C 1.858 177.940 176.117 -0.058 0.000 1.088 249 I CA 1.446 62.756 61.300 0.017 0.000 1.347 249 I CB -0.001 38.084 38.000 0.141 0.000 1.041 249 I HN -0.085 nan 8.210 nan 0.000 0.415 250 V N 0.588 120.484 119.914 -0.030 0.000 2.307 250 V HA -0.279 3.841 4.120 -0.001 0.000 0.245 250 V C 2.191 178.269 176.094 -0.027 0.000 1.045 250 V CA 2.158 64.432 62.300 -0.043 0.000 1.024 250 V CB -0.933 30.861 31.823 -0.047 0.000 0.651 250 V HN 0.406 nan 8.190 nan 0.000 0.449 251 D N 0.133 120.504 120.400 -0.047 0.000 2.117 251 D HA -0.129 4.511 4.640 -0.001 0.000 0.197 251 D C 2.094 178.317 176.300 -0.129 0.000 0.987 251 D CA 1.372 55.330 54.000 -0.070 0.000 0.829 251 D CB -0.187 40.573 40.800 -0.066 0.000 0.961 251 D HN 0.396 nan 8.370 nan 0.000 0.460 252 I N 0.733 121.178 120.570 -0.209 0.000 2.286 252 I HA -0.262 3.907 4.170 -0.001 0.000 0.248 252 I C 2.500 178.506 176.117 -0.186 0.000 1.115 252 I CA 1.003 62.106 61.300 -0.328 0.000 1.392 252 I CB -0.326 37.336 38.000 -0.564 0.000 1.065 252 I HN 0.166 nan 8.210 nan 0.000 0.418 253 H N 0.980 119.914 119.070 -0.227 0.000 2.357 253 H HA -0.200 4.356 4.556 -0.001 0.000 0.301 253 H C 2.040 177.281 175.328 -0.146 0.000 1.082 253 H CA 1.949 57.874 56.048 -0.205 0.000 1.342 253 H CB 0.252 29.901 29.762 -0.188 0.000 1.389 253 H HN 0.267 nan 8.280 nan 0.000 0.511 254 E N 1.093 121.244 120.200 -0.082 0.000 2.072 254 E HA -0.105 4.245 4.350 -0.001 0.000 0.191 254 E C 2.687 179.181 176.600 -0.177 0.000 0.985 254 E CA 0.832 57.161 56.400 -0.118 0.000 0.801 254 E CB -0.570 29.106 29.700 -0.040 0.000 0.750 254 E HN 0.496 nan 8.360 nan 0.000 0.452 255 L N -0.091 121.036 121.223 -0.160 0.000 2.046 255 L HA -0.189 4.151 4.340 -0.001 0.000 0.208 255 L C 2.112 178.903 176.870 -0.132 0.000 1.077 255 L CA 1.788 56.526 54.840 -0.170 0.000 0.747 255 L CB -0.367 41.579 42.059 -0.189 0.000 0.896 255 L HN 0.175 nan 8.230 nan 0.000 0.432 256 S N -0.665 114.981 115.700 -0.089 0.000 2.368 256 S HA -0.165 4.305 4.470 -0.001 0.000 0.225 256 S C 1.880 176.399 174.600 -0.134 0.000 1.030 256 S CA 1.346 59.537 58.200 -0.014 0.000 0.999 256 S CB -0.284 62.910 63.200 -0.009 0.000 0.844 256 S HN 0.318 nan 8.310 nan 0.000 0.459 257 V N 2.254 121.999 119.914 -0.281 0.000 2.427 257 V HA -0.140 3.980 4.120 -0.001 0.000 0.248 257 V C 2.407 178.363 176.094 -0.229 0.000 1.051 257 V CA 1.375 63.515 62.300 -0.266 0.000 1.048 257 V CB -0.467 31.156 31.823 -0.333 0.000 0.666 257 V HN 0.352 nan 8.190 nan 0.000 0.456 258 K N -0.208 120.038 120.400 -0.258 0.000 2.026 258 K HA -0.092 4.227 4.320 -0.001 0.000 0.208 258 K C 2.139 178.458 176.600 -0.470 0.000 1.048 258 K CA 1.251 57.310 56.287 -0.381 0.000 0.929 258 K CB -0.720 31.582 32.500 -0.329 0.000 0.713 258 K HN 0.360 nan 8.250 nan 0.000 0.439 259 L N 1.062 122.129 121.223 -0.260 0.000 1.989 259 L HA -0.173 4.166 4.340 -0.001 0.000 0.211 259 L C 2.476 179.286 176.870 -0.099 0.000 1.071 259 L CA 1.134 55.875 54.840 -0.166 0.000 0.749 259 L CB -0.304 41.745 42.059 -0.018 0.000 0.890 259 L HN 0.190 nan 8.230 nan 0.000 0.431 260 L N -0.598 120.591 121.223 -0.057 0.000 2.046 260 L HA -0.163 4.176 4.340 -0.001 0.000 0.208 260 L C 2.399 179.246 176.870 -0.038 0.000 1.077 260 L CA 1.670 56.498 54.840 -0.019 0.000 0.747 260 L CB -0.812 41.223 42.059 -0.040 0.000 0.896 260 L HN 0.373 nan 8.230 nan 0.000 0.432 261 G N -1.365 107.369 108.800 -0.110 0.000 2.446 261 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.217 261 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.217 261 G C 1.213 176.109 174.900 -0.007 0.000 1.168 261 G CA 1.042 46.089 45.100 -0.090 0.000 0.771 261 G HN 0.547 nan 8.290 nan 0.000 0.551 262 H N 0.016 119.036 119.070 -0.084 0.000 2.321 262 H HA 0.031 4.586 4.556 -0.001 0.000 0.300 262 H C 2.679 177.974 175.328 -0.055 0.000 1.087 262 H CA 0.851 56.838 56.048 -0.101 0.000 1.319 262 H CB 0.015 29.718 29.762 -0.098 0.000 1.379 262 H HN 0.281 nan 8.280 nan 0.000 0.501 263 I N 1.048 121.685 120.570 0.111 0.000 2.264 263 I HA -0.243 3.926 4.170 -0.001 0.000 0.248 263 I C 2.078 178.266 176.117 0.118 0.000 1.111 263 I CA 1.310 62.681 61.300 0.118 0.000 1.382 263 I CB -0.233 37.850 38.000 0.138 0.000 1.060 263 I HN 0.380 nan 8.210 nan 0.000 0.418 264 E N 0.758 121.006 120.200 0.079 0.000 2.072 264 E HA -0.204 4.145 4.350 -0.001 0.000 0.191 264 E C 1.709 178.348 176.600 0.064 0.000 0.985 264 E CA 1.277 57.719 56.400 0.071 0.000 0.801 264 E CB -0.083 29.640 29.700 0.038 0.000 0.750 264 E HN 0.497 nan 8.360 nan 0.000 0.452 265 D N 0.426 120.835 120.400 0.014 0.000 2.097 265 D HA -0.122 4.518 4.640 -0.001 0.000 0.195 265 D C 2.028 178.357 176.300 0.048 0.000 0.989 265 D CA 1.342 55.318 54.000 -0.040 0.000 0.827 265 D CB -0.661 40.005 40.800 -0.224 0.000 0.966 265 D HN 0.079 nan 8.370 nan 0.000 0.456 266 T N 1.315 115.919 114.554 0.082 0.000 2.624 266 T HA -0.148 4.202 4.350 -0.001 0.000 0.268 266 T C 2.313 177.147 174.700 0.224 0.000 1.041 266 T CA 1.349 63.573 62.100 0.206 0.000 1.159 266 T CB -0.568 68.423 68.868 0.206 0.000 0.863 266 T HN -0.028 nan 8.240 nan 0.000 0.434 267 V N 1.608 121.646 119.914 0.205 0.000 2.252 267 V HA -0.184 3.936 4.120 -0.001 0.000 0.249 267 V C 2.667 178.881 176.094 0.199 0.000 1.056 267 V CA 2.111 64.546 62.300 0.225 0.000 1.022 267 V CB -0.674 31.289 31.823 0.233 0.000 0.641 267 V HN 0.417 nan 8.190 nan 0.000 0.445 268 E N 0.121 120.424 120.200 0.173 0.000 2.153 268 E HA -0.175 4.175 4.350 -0.001 0.000 0.194 268 E C 1.915 178.633 176.600 0.196 0.000 0.988 268 E CA 1.504 58.004 56.400 0.167 0.000 0.811 268 E CB -0.293 29.488 29.700 0.134 0.000 0.746 268 E HN 0.546 nan 8.360 nan 0.000 0.466 269 M N 0.276 120.017 119.600 0.234 0.000 2.561 269 M HA 0.067 4.547 4.480 -0.001 0.000 0.238 269 M C 0.071 176.514 176.300 0.237 0.000 1.131 269 M CA 0.334 55.813 55.300 0.298 0.000 1.046 269 M CB 0.031 32.940 32.600 0.515 0.000 1.532 269 M HN -0.172 nan 8.290 nan 0.000 0.497 270 T N 2.841 117.513 114.554 0.196 0.000 2.727 270 T HA 0.103 4.453 4.350 -0.001 0.000 0.295 270 T C 0.224 174.991 174.700 0.112 0.000 0.915 270 T CA -0.474 61.710 62.100 0.141 0.000 1.066 270 T CB 0.230 69.179 68.868 0.134 0.000 0.891 270 T HN 0.367 nan 8.240 nan 0.000 0.516 271 D N 2.682 123.132 120.400 0.082 0.000 2.383 271 D HA 0.050 4.689 4.640 -0.001 0.000 0.248 271 D C 0.963 177.282 176.300 0.033 0.000 1.170 271 D CA -0.678 53.364 54.000 0.071 0.000 0.977 271 D CB 0.979 41.774 40.800 -0.008 0.000 1.120 271 D HN 0.291 nan 8.370 nan 0.000 0.481 272 E N 0.325 120.540 120.200 0.026 0.000 2.401 272 E HA -0.109 4.240 4.350 -0.001 0.000 0.199 272 E C 1.771 178.361 176.600 -0.018 0.000 1.023 272 E CA 0.698 57.090 56.400 -0.012 0.000 0.859 272 E CB -0.605 29.073 29.700 -0.035 0.000 0.780 272 E HN 0.719 nan 8.360 nan 0.000 0.523 273 G N -0.106 108.715 108.800 0.034 0.000 2.534 273 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.217 273 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.217 273 G C 0.721 175.594 174.900 -0.045 0.000 1.128 273 G CA 0.163 45.287 45.100 0.040 0.000 0.784 273 G HN 0.101 nan 8.290 nan 0.000 0.542 274 S N 0.571 116.230 115.700 -0.067 0.000 2.525 274 S HA 0.411 4.880 4.470 -0.001 0.000 0.290 274 S C -1.066 173.435 174.600 -0.165 0.000 1.152 274 S CA -0.980 57.144 58.200 -0.127 0.000 1.072 274 S CB 2.384 65.520 63.200 -0.107 0.000 1.027 274 S HN 0.080 nan 8.310 nan 0.000 0.500 275 P HA -0.077 nan 4.420 nan 0.000 0.223 275 P C -0.155 177.014 177.300 -0.219 0.000 1.151 275 P CA 1.172 64.113 63.100 -0.266 0.000 0.787 275 P CB -0.074 31.412 31.700 -0.357 0.000 0.788 276 H N -3.451 115.546 119.070 -0.123 0.000 3.005 276 H HA 0.293 4.848 4.556 -0.001 0.000 0.311 276 H C -3.239 172.076 175.328 -0.021 0.000 1.366 276 H CA -2.056 53.931 56.048 -0.101 0.000 1.210 276 H CB 0.258 30.019 29.762 -0.002 0.000 1.894 276 H HN -0.246 nan 8.280 nan 0.000 0.520 277 P HA 0.074 nan 4.420 nan 0.000 0.266 277 P C -0.098 177.464 177.300 0.437 0.000 1.195 277 P CA -0.174 63.120 63.100 0.323 0.000 0.768 277 P CB 1.304 33.222 31.700 0.362 0.000 0.838 278 L N 3.921 125.324 121.223 0.300 0.000 2.288 278 L HA 0.153 4.492 4.340 -0.001 0.000 0.283 278 L C 1.575 178.630 176.870 0.309 0.000 1.072 278 L CA -0.589 54.420 54.840 0.282 0.000 0.862 278 L CB 0.926 43.069 42.059 0.140 0.000 1.245 278 L HN 0.239 nan 8.230 nan 0.000 0.432 279 V N -0.711 119.449 119.914 0.410 0.000 3.647 279 V HA 0.197 4.317 4.120 -0.001 0.000 0.279 279 V C 1.822 178.139 176.094 0.370 0.000 1.314 279 V CA 0.924 63.435 62.300 0.352 0.000 1.125 279 V CB 0.108 32.149 31.823 0.363 0.000 0.907 279 V HN 0.752 nan 8.190 nan 0.000 0.434 280 G N 2.160 111.159 108.800 0.331 0.000 2.476 280 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.218 280 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.218 280 G C 1.788 176.829 174.900 0.235 0.000 1.164 280 G CA 1.802 47.056 45.100 0.257 0.000 0.768 280 G HN 0.835 nan 8.290 nan 0.000 0.560 281 S N -0.168 115.644 115.700 0.186 0.000 2.382 281 S HA -0.181 4.289 4.470 -0.001 0.000 0.228 281 S C 2.331 177.011 174.600 0.134 0.000 1.027 281 S CA 1.444 59.729 58.200 0.142 0.000 0.991 281 S CB -0.970 62.302 63.200 0.120 0.000 0.823 281 S HN 0.393 nan 8.310 nan 0.000 0.469 282 C N 0.935 120.312 119.300 0.128 0.000 2.398 282 C HA -0.006 4.454 4.460 -0.001 0.000 0.276 282 C C 2.388 177.368 174.990 -0.016 0.000 1.222 282 C CA 0.853 59.891 59.018 0.033 0.000 1.746 282 C CB -1.798 25.916 27.740 -0.044 0.000 2.039 282 C HN 0.617 nan 8.230 nan 0.000 0.470 283 F N 0.560 120.551 119.950 0.068 0.000 2.163 283 F HA -0.075 4.451 4.527 -0.001 0.000 0.297 283 F C 2.576 178.420 175.800 0.073 0.000 1.094 283 F CA 1.516 59.540 58.000 0.040 0.000 1.290 283 F CB -0.646 38.286 39.000 -0.113 0.000 1.017 283 F HN 0.166 nan 8.300 nan 0.000 0.483 284 E N 0.899 121.242 120.200 0.238 0.000 2.085 284 E HA -0.218 4.132 4.350 -0.001 0.000 0.194 284 E C 1.676 178.363 176.600 0.144 0.000 0.994 284 E CA 1.647 58.140 56.400 0.155 0.000 0.801 284 E CB -0.336 29.431 29.700 0.112 0.000 0.743 284 E HN 0.330 nan 8.360 nan 0.000 0.453 285 D N 0.470 120.948 120.400 0.130 0.000 2.123 285 D HA -0.165 4.475 4.640 -0.001 0.000 0.196 285 D C 2.237 178.621 176.300 0.140 0.000 0.992 285 D CA 0.864 54.929 54.000 0.109 0.000 0.833 285 D CB -0.284 40.562 40.800 0.075 0.000 0.954 285 D HN 0.260 nan 8.370 nan 0.000 0.455 286 L N 0.577 121.915 121.223 0.192 0.000 2.044 286 L HA -0.077 4.263 4.340 -0.001 0.000 0.205 286 L C 2.585 179.655 176.870 0.334 0.000 1.075 286 L CA 0.994 55.974 54.840 0.233 0.000 0.747 286 L CB -0.398 41.817 42.059 0.260 0.000 0.903 286 L HN -0.042 nan 8.230 nan 0.000 0.435 287 A N -0.237 122.819 122.820 0.393 0.000 1.972 287 A HA -0.259 4.060 4.320 -0.001 0.000 0.219 287 A C 2.240 179.948 177.584 0.207 0.000 1.169 287 A CA 1.820 54.055 52.037 0.330 0.000 0.635 287 A CB -0.501 18.603 19.000 0.173 0.000 0.810 287 A HN 0.490 nan 8.150 nan 0.000 0.446 288 E N -0.197 120.097 120.200 0.157 0.000 2.204 288 E HA -0.155 4.195 4.350 -0.001 0.000 0.194 288 E C 0.740 177.403 176.600 0.104 0.000 0.989 288 E CA 0.979 57.444 56.400 0.109 0.000 0.824 288 E CB 0.028 29.779 29.700 0.086 0.000 0.756 288 E HN 0.520 nan 8.360 nan 0.000 0.477 289 E N 0.390 120.661 120.200 0.119 0.000 2.419 289 E HA 0.056 4.406 4.350 -0.001 0.000 0.190 289 E C 0.498 177.164 176.600 0.109 0.000 1.040 289 E CA -0.115 56.342 56.400 0.095 0.000 0.900 289 E CB 0.205 29.952 29.700 0.078 0.000 1.054 289 E HN 0.324 nan 8.360 nan 0.000 0.462 290 L N -0.106 121.208 121.223 0.151 0.000 3.737 290 L HA -0.321 4.019 4.340 -0.001 0.000 0.418 290 L C 1.377 178.352 176.870 0.175 0.000 1.216 290 L CA 0.372 55.317 54.840 0.176 0.000 0.915 290 L CB -1.731 40.403 42.059 0.124 0.000 1.834 290 L HN 0.147 nan 8.230 nan 0.000 0.943 291 A N -0.976 121.942 122.820 0.163 0.000 2.121 291 A HA -0.001 4.319 4.320 -0.001 0.000 0.218 291 A C 1.485 179.030 177.584 -0.065 0.000 1.154 291 A CA 1.412 53.449 52.037 0.000 0.000 0.679 291 A CB -0.362 18.563 19.000 -0.124 0.000 0.795 291 A HN 0.483 nan 8.150 nan 0.000 0.458 292 F N -0.123 119.962 119.950 0.224 0.000 2.765 292 F HA 0.086 4.613 4.527 -0.001 0.000 0.302 292 F C 1.391 177.387 175.800 0.327 0.000 1.111 292 F CA 0.086 58.297 58.000 0.352 0.000 1.359 292 F CB -0.064 39.157 39.000 0.369 0.000 1.097 292 F HN 0.125 nan 8.300 nan 0.000 0.577 293 D N 1.189 121.788 120.400 0.331 0.000 2.133 293 D HA -0.161 4.478 4.640 -0.001 0.000 0.195 293 D C -0.423 176.004 176.300 0.212 0.000 0.997 293 D CA 1.499 55.647 54.000 0.246 0.000 0.840 293 D CB -1.488 39.409 40.800 0.163 0.000 0.947 293 D HN 0.163 nan 8.370 nan 0.000 0.452 294 P HA -0.167 nan 4.420 nan 0.000 0.217 294 P C 0.914 178.275 177.300 0.101 0.000 1.148 294 P CA 1.012 64.150 63.100 0.064 0.000 0.828 294 P CB -0.085 31.582 31.700 -0.055 0.000 0.783 295 Y N -0.396 120.008 120.300 0.174 0.000 2.242 295 Y HA -0.158 4.392 4.550 -0.001 0.000 0.291 295 Y C 2.576 178.595 175.900 0.198 0.000 1.137 295 Y CA 1.364 59.575 58.100 0.186 0.000 1.181 295 Y CB -0.613 37.967 38.460 0.201 0.000 0.989 295 Y HN 0.060 nan 8.280 nan 0.000 0.527 296 E N -0.398 120.004 120.200 0.337 0.000 2.047 296 E HA -0.169 4.180 4.350 -0.001 0.000 0.191 296 E C 2.228 178.928 176.600 0.167 0.000 0.987 296 E CA 1.361 57.898 56.400 0.229 0.000 0.799 296 E CB -0.022 29.792 29.700 0.189 0.000 0.752 296 E HN 0.340 nan 8.360 nan 0.000 0.449 297 S N -0.034 115.759 115.700 0.155 0.000 2.368 297 S HA -0.195 4.275 4.470 -0.001 0.000 0.225 297 S C 1.635 176.291 174.600 0.094 0.000 1.030 297 S CA 1.281 59.543 58.200 0.104 0.000 0.999 297 S CB -0.529 62.728 63.200 0.095 0.000 0.844 297 S HN 0.412 nan 8.310 nan 0.000 0.459 298 Y N 2.381 122.691 120.300 0.018 0.000 2.097 298 Y HA -0.209 4.341 4.550 -0.001 0.000 0.282 298 Y C 2.519 178.395 175.900 -0.040 0.000 1.152 298 Y CA 1.299 59.387 58.100 -0.019 0.000 1.136 298 Y CB -0.827 37.612 38.460 -0.034 0.000 0.975 298 Y HN 0.216 nan 8.280 nan 0.000 0.498 299 A N 0.417 123.341 122.820 0.174 0.000 1.940 299 A HA -0.256 4.063 4.320 -0.001 0.000 0.219 299 A C 2.348 179.884 177.584 -0.081 0.000 1.176 299 A CA 1.976 54.036 52.037 0.038 0.000 0.631 299 A CB -0.880 18.183 19.000 0.105 0.000 0.814 299 A HN 0.583 nan 8.150 nan 0.000 0.446 300 R N -0.425 120.056 120.500 -0.032 0.000 2.081 300 R HA -0.159 4.180 4.340 -0.001 0.000 0.235 300 R C 1.390 177.635 176.300 -0.091 0.000 1.131 300 R CA 1.880 57.956 56.100 -0.041 0.000 0.960 300 R CB -0.288 30.013 30.300 0.002 0.000 0.856 300 R HN 0.478 nan 8.270 nan 0.000 0.436 301 D N 0.398 120.713 120.400 -0.142 0.000 2.103 301 D HA -0.120 4.519 4.640 -0.001 0.000 0.199 301 D C 1.890 178.027 176.300 -0.272 0.000 0.978 301 D CA 0.994 54.903 54.000 -0.152 0.000 0.829 301 D CB -0.039 40.665 40.800 -0.161 0.000 0.981 301 D HN 0.234 nan 8.370 nan 0.000 0.464 302 I N 0.519 120.738 120.570 -0.584 0.000 2.439 302 I HA -0.092 4.078 4.170 -0.001 0.000 0.251 302 I C 2.065 177.730 176.117 -0.752 0.000 1.139 302 I CA 0.693 61.382 61.300 -1.017 0.000 1.438 302 I CB -0.678 36.679 38.000 -1.072 0.000 1.085 302 I HN 0.010 nan 8.210 nan 0.000 0.427 303 L N 0.128 121.120 121.223 -0.386 0.000 2.628 303 L HA 0.142 4.482 4.340 -0.001 0.000 0.229 303 L C 0.989 177.793 176.870 -0.110 0.000 1.137 303 L CA -0.098 54.602 54.840 -0.233 0.000 0.909 303 L CB -0.217 41.738 42.059 -0.174 0.000 1.137 303 L HN 0.046 nan 8.230 nan 0.000 0.470 304 R N 0.817 121.275 120.500 -0.071 0.000 2.623 304 R HA -0.008 4.331 4.340 -0.001 0.000 0.271 304 R C -1.221 175.106 176.300 0.045 0.000 1.043 304 R CA -1.113 54.990 56.100 0.005 0.000 1.083 304 R CB 0.423 30.749 30.300 0.043 0.000 0.974 304 R HN -0.127 nan 8.270 nan 0.000 0.436 305 P HA -0.147 nan 4.420 nan 0.000 0.216 305 P C 0.764 178.109 177.300 0.074 0.000 1.150 305 P CA 1.295 64.422 63.100 0.044 0.000 0.843 305 P CB 0.227 31.945 31.700 0.029 0.000 0.787 306 G N -2.406 106.439 108.800 0.076 0.000 3.314 306 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.238 306 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.238 306 G C 0.907 175.861 174.900 0.089 0.000 1.184 306 G CA -0.373 44.769 45.100 0.071 0.000 0.806 306 G HN 0.113 nan 8.290 nan 0.000 0.536 307 F N 0.846 120.795 119.950 -0.003 0.000 2.043 307 F HA -0.185 4.342 4.527 -0.001 0.000 0.297 307 F C 2.360 178.204 175.800 0.072 0.000 1.121 307 F CA 2.256 60.249 58.000 -0.012 0.000 1.199 307 F CB -0.347 38.602 39.000 -0.084 0.000 0.968 307 F HN 0.370 nan 8.300 nan 0.000 0.478 308 H N -0.586 118.499 119.070 0.026 0.000 2.319 308 H HA -0.178 4.377 4.556 -0.001 0.000 0.299 308 H C 1.864 177.179 175.328 -0.021 0.000 1.092 308 H CA 1.563 57.608 56.048 -0.005 0.000 1.302 308 H CB -0.182 29.636 29.762 0.093 0.000 1.373 308 H HN 0.258 nan 8.280 nan 0.000 0.497 309 D N 0.246 120.632 120.400 -0.024 0.000 2.106 309 D HA -0.179 4.460 4.640 -0.001 0.000 0.191 309 D C 2.346 178.567 176.300 -0.133 0.000 0.997 309 D CA 1.014 54.957 54.000 -0.097 0.000 0.834 309 D CB -0.398 40.384 40.800 -0.031 0.000 0.956 309 D HN 0.341 nan 8.370 nan 0.000 0.448 310 R N -0.629 119.794 120.500 -0.129 0.000 2.120 310 R HA -0.146 4.193 4.340 -0.001 0.000 0.234 310 R C 2.260 178.450 176.300 -0.183 0.000 1.123 310 R CA 0.742 56.756 56.100 -0.143 0.000 0.975 310 R CB -0.386 29.830 30.300 -0.140 0.000 0.866 310 R HN 0.140 nan 8.270 nan 0.000 0.446 311 F N 1.200 120.873 119.950 -0.461 0.000 2.075 311 F HA -0.151 4.376 4.527 -0.001 0.000 0.297 311 F C 1.693 177.320 175.800 -0.287 0.000 1.113 311 F CA 1.492 59.208 58.000 -0.473 0.000 1.218 311 F CB -0.411 38.222 39.000 -0.611 0.000 0.984 311 F HN -0.038 nan 8.300 nan 0.000 0.472 312 L N -0.498 120.471 121.223 -0.424 0.000 2.046 312 L HA -0.243 4.096 4.340 -0.001 0.000 0.208 312 L C 2.511 179.209 176.870 -0.286 0.000 1.077 312 L CA 1.534 56.111 54.840 -0.439 0.000 0.747 312 L CB -1.108 40.738 42.059 -0.355 0.000 0.896 312 L HN 0.089 nan 8.230 nan 0.000 0.432 313 S N -0.662 114.919 115.700 -0.198 0.000 2.400 313 S HA -0.268 4.202 4.470 -0.001 0.000 0.232 313 S C 1.913 176.458 174.600 -0.091 0.000 1.025 313 S CA 1.317 59.445 58.200 -0.120 0.000 0.993 313 S CB -0.232 62.916 63.200 -0.087 0.000 0.808 313 S HN 0.348 nan 8.310 nan 0.000 0.478 314 Q N 0.501 120.240 119.800 -0.102 0.000 2.172 314 Q HA 0.106 4.445 4.340 -0.001 0.000 0.200 314 Q C 1.581 177.638 176.000 0.096 0.000 0.964 314 Q CA 0.975 56.803 55.803 0.042 0.000 0.855 314 Q CB -0.223 28.554 28.738 0.064 0.000 0.918 314 Q HN 0.363 nan 8.270 nan 0.000 0.444 315 L N -0.570 120.587 121.223 -0.110 0.000 2.375 315 L HA 0.066 4.406 4.340 -0.001 0.000 0.215 315 L C 1.809 178.646 176.870 -0.055 0.000 1.108 315 L CA 1.289 56.077 54.840 -0.086 0.000 0.830 315 L CB -0.246 41.629 42.059 -0.307 0.000 0.959 315 L HN 0.220 nan 8.230 nan 0.000 0.457 316 S N -1.463 114.190 115.700 -0.078 0.000 2.540 316 S HA 0.095 4.564 4.470 -0.001 0.000 0.218 316 S C 0.757 175.330 174.600 -0.044 0.000 0.977 316 S CA -0.648 57.518 58.200 -0.057 0.000 0.918 316 S CB -0.327 62.832 63.200 -0.070 0.000 0.806 316 S HN 0.420 nan 8.310 nan 0.000 0.496 317 K N 1.266 121.638 120.400 -0.047 0.000 2.230 317 K HA 0.330 4.650 4.320 -0.001 0.000 0.253 317 K C -2.925 173.635 176.600 -0.066 0.000 1.008 317 K CA -1.551 54.700 56.287 -0.060 0.000 0.910 317 K CB -0.984 31.470 32.500 -0.077 0.000 0.994 317 K HN -0.105 nan 8.250 nan 0.000 0.495 318 P HA -0.089 nan 4.420 nan 0.000 0.257 318 P C 0.487 177.738 177.300 -0.081 0.000 1.162 318 P CA 1.682 64.743 63.100 -0.065 0.000 0.762 318 P CB 0.205 31.866 31.700 -0.066 0.000 0.753 319 G N 3.109 111.881 108.800 -0.046 0.000 2.212 319 G HA2 -0.373 3.587 3.960 -0.001 0.000 0.266 319 G HA3 -0.373 3.587 3.960 -0.001 0.000 0.266 319 G C 1.185 176.088 174.900 0.006 0.000 0.978 319 G CA 0.538 45.621 45.100 -0.029 0.000 0.632 319 G HN 0.664 nan 8.290 nan 0.000 0.537 320 A N 0.624 123.437 122.820 -0.012 0.000 1.841 320 A HA 0.432 4.752 4.320 -0.001 0.000 0.214 320 A C 2.898 180.568 177.584 0.142 0.000 1.195 320 A CA 2.986 55.071 52.037 0.079 0.000 0.611 320 A CB -1.097 17.945 19.000 0.071 0.000 0.835 320 A HN 1.780 nan 8.150 nan 0.000 0.443 321 A N -0.341 122.522 122.820 0.072 0.000 1.908 321 A HA -0.105 4.214 4.320 -0.001 0.000 0.218 321 A C 2.188 179.814 177.584 0.069 0.000 1.181 321 A CA 1.658 53.729 52.037 0.057 0.000 0.627 321 A CB -0.660 18.357 19.000 0.028 0.000 0.818 321 A HN 0.485 nan 8.150 nan 0.000 0.445 322 L N -2.278 118.989 121.223 0.073 0.000 2.093 322 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 322 L C 2.589 179.517 176.870 0.096 0.000 1.085 322 L CA 1.559 56.440 54.840 0.069 0.000 0.755 322 L CB -0.560 41.533 42.059 0.056 0.000 0.904 322 L HN 0.617 nan 8.230 nan 0.000 0.435 323 Y N 0.839 121.149 120.300 0.016 0.000 2.200 323 Y HA -0.204 4.345 4.550 -0.001 0.000 0.290 323 Y C 2.277 178.207 175.900 0.050 0.000 1.137 323 Y CA 1.363 59.476 58.100 0.020 0.000 1.163 323 Y CB -0.241 38.232 38.460 0.022 0.000 0.988 323 Y HN -0.010 nan 8.280 nan 0.000 0.518 324 L N -0.047 121.155 121.223 -0.035 0.000 2.046 324 L HA -0.269 4.071 4.340 -0.001 0.000 0.208 324 L C 2.487 179.386 176.870 0.049 0.000 1.077 324 L CA 1.711 56.555 54.840 0.007 0.000 0.747 324 L CB -0.700 41.408 42.059 0.081 0.000 0.896 324 L HN 0.286 nan 8.230 nan 0.000 0.432 325 Q N -0.264 119.549 119.800 0.023 0.000 2.119 325 Q HA -0.171 4.168 4.340 -0.001 0.000 0.201 325 Q C 2.412 178.395 176.000 -0.029 0.000 0.972 325 Q CA 1.774 57.595 55.803 0.030 0.000 0.847 325 Q CB -0.161 28.598 28.738 0.035 0.000 0.903 325 Q HN 0.611 nan 8.270 nan 0.000 0.433 326 S N 0.262 115.908 115.700 -0.091 0.000 2.474 326 S HA -0.078 4.392 4.470 -0.001 0.000 0.235 326 S C 1.846 176.325 174.600 -0.202 0.000 0.997 326 S CA 0.421 58.549 58.200 -0.119 0.000 0.949 326 S CB -0.147 62.995 63.200 -0.096 0.000 0.766 326 S HN 0.192 nan 8.310 nan 0.000 0.517 327 I N 2.100 122.483 120.570 -0.311 0.000 2.315 327 I HA 0.197 4.367 4.170 -0.001 0.000 0.248 327 I C 1.577 177.524 176.117 -0.283 0.000 1.117 327 I CA 1.270 62.309 61.300 -0.435 0.000 1.404 327 I CB -1.978 35.535 38.000 -0.813 0.000 1.071 327 I HN 0.634 nan 8.210 nan 0.000 0.419 328 G N 0.050 108.771 108.800 -0.133 0.000 2.347 328 G HA2 0.031 3.990 3.960 -0.001 0.000 0.303 328 G HA3 0.031 3.990 3.960 -0.001 0.000 0.303 328 G C -0.953 173.969 174.900 0.037 0.000 1.481 328 G CA -0.887 44.178 45.100 -0.059 0.000 0.914 328 G HN 0.073 nan 8.290 nan 0.000 0.638 329 E N -0.321 119.905 120.200 0.043 0.000 2.452 329 E HA 0.356 4.705 4.350 -0.001 0.000 0.261 329 E C 1.444 178.124 176.600 0.133 0.000 0.987 329 E CA 1.682 58.129 56.400 0.079 0.000 0.926 329 E CB 0.619 30.357 29.700 0.063 0.000 0.934 329 E HN 1.952 nan 8.360 nan 0.000 0.452 330 G N 3.180 112.075 108.800 0.158 0.000 2.267 330 G HA2 -0.373 3.586 3.960 -0.001 0.000 0.257 330 G HA3 -0.373 3.586 3.960 -0.001 0.000 0.257 330 G C 0.624 175.654 174.900 0.217 0.000 0.998 330 G CA 0.423 45.649 45.100 0.209 0.000 0.620 330 G HN 0.607 nan 8.290 nan 0.000 0.529 331 F N 1.696 121.665 119.950 0.031 0.000 2.102 331 F HA 0.077 4.603 4.527 -0.001 0.000 0.298 331 F C 2.560 178.403 175.800 0.072 0.000 1.105 331 F CA 2.532 60.527 58.000 -0.008 0.000 1.239 331 F CB -0.297 38.646 39.000 -0.094 0.000 0.991 331 F HN 0.270 nan 8.300 nan 0.000 0.474 332 K N -0.096 120.326 120.400 0.038 0.000 2.063 332 K HA -0.229 4.091 4.320 -0.001 0.000 0.208 332 K C 1.836 178.441 176.600 0.007 0.000 1.048 332 K CA 1.985 58.256 56.287 -0.026 0.000 0.928 332 K CB -0.097 32.435 32.500 0.053 0.000 0.713 332 K HN 0.188 nan 8.250 nan 0.000 0.442 333 E N 0.352 120.625 120.200 0.122 0.000 2.072 333 E HA -0.080 4.269 4.350 -0.001 0.000 0.190 333 E C 1.820 178.573 176.600 0.255 0.000 0.982 333 E CA 1.266 57.825 56.400 0.266 0.000 0.803 333 E CB -0.299 29.582 29.700 0.302 0.000 0.755 333 E HN 0.426 nan 8.360 nan 0.000 0.453 334 A N 0.602 123.524 122.820 0.170 0.000 1.877 334 A HA -0.158 4.162 4.320 -0.001 0.000 0.216 334 A C 2.489 180.156 177.584 0.139 0.000 1.186 334 A CA 1.484 53.624 52.037 0.171 0.000 0.620 334 A CB -0.833 18.213 19.000 0.076 0.000 0.822 334 A HN 0.149 nan 8.150 nan 0.000 0.443 335 V N -0.101 119.832 119.914 0.032 0.000 2.287 335 V HA -0.322 3.798 4.120 -0.001 0.000 0.248 335 V C 2.750 178.910 176.094 0.111 0.000 1.053 335 V CA 2.444 64.767 62.300 0.039 0.000 1.027 335 V CB -0.728 31.012 31.823 -0.138 0.000 0.646 335 V HN 0.773 nan 8.190 nan 0.000 0.447 336 Q N -1.371 118.406 119.800 -0.038 0.000 2.083 336 Q HA -0.171 4.168 4.340 -0.001 0.000 0.198 336 Q C 1.985 177.871 176.000 -0.189 0.000 0.969 336 Q CA 1.938 57.626 55.803 -0.191 0.000 0.838 336 Q CB 0.008 28.380 28.738 -0.610 0.000 0.900 336 Q HN 0.784 nan 8.270 nan 0.000 0.436 337 Y N -1.990 118.403 120.300 0.156 0.000 2.481 337 Y HA 0.126 4.675 4.550 -0.001 0.000 0.258 337 Y C 1.636 177.559 175.900 0.038 0.000 1.103 337 Y CA -0.023 58.147 58.100 0.116 0.000 1.287 337 Y CB 0.794 39.317 38.460 0.104 0.000 1.108 337 Y HN -0.056 nan 8.280 nan 0.000 0.529 338 V N -1.126 118.863 119.914 0.126 0.000 2.908 338 V HA -0.082 4.038 4.120 -0.001 0.000 0.240 338 V C 2.035 178.015 176.094 -0.190 0.000 1.117 338 V CA 0.488 62.791 62.300 0.005 0.000 1.133 338 V CB -0.380 31.481 31.823 0.064 0.000 0.857 338 V HN 0.220 nan 8.190 nan 0.000 0.478 339 L N 2.637 123.646 121.223 -0.357 0.000 2.021 339 L HA -0.097 4.242 4.340 -0.001 0.000 0.215 339 L C 0.051 176.679 176.870 -0.403 0.000 1.074 339 L CA 2.695 57.199 54.840 -0.560 0.000 0.760 339 L CB -1.648 40.084 42.059 -0.545 0.000 0.889 339 L HN 0.260 nan 8.230 nan 0.000 0.433 340 P HA -0.198 nan 4.420 nan 0.000 0.219 340 P C 1.308 178.454 177.300 -0.256 0.000 1.146 340 P CA 1.476 64.349 63.100 -0.379 0.000 0.808 340 P CB 0.013 31.514 31.700 -0.331 0.000 0.779 341 R N -0.135 120.254 120.500 -0.186 0.000 2.062 341 R HA 0.089 4.429 4.340 -0.001 0.000 0.226 341 R C 2.662 178.909 176.300 -0.087 0.000 1.125 341 R CA 1.003 57.032 56.100 -0.117 0.000 0.966 341 R CB -1.589 28.665 30.300 -0.077 0.000 0.861 341 R HN 0.180 nan 8.270 nan 0.000 0.433 342 L N 0.281 121.430 121.223 -0.123 0.000 2.079 342 L HA -0.176 4.164 4.340 -0.001 0.000 0.210 342 L C 2.006 178.845 176.870 -0.053 0.000 1.081 342 L CA 1.126 55.917 54.840 -0.082 0.000 0.752 342 L CB -0.576 41.386 42.059 -0.162 0.000 0.896 342 L HN 0.187 nan 8.230 nan 0.000 0.433 343 L N -0.293 120.856 121.223 -0.124 0.000 2.450 343 L HA -0.188 4.151 4.340 -0.001 0.000 0.224 343 L C 2.209 179.073 176.870 -0.010 0.000 1.149 343 L CA 0.737 55.535 54.840 -0.069 0.000 0.816 343 L CB -0.263 41.650 42.059 -0.243 0.000 0.932 343 L HN 0.351 nan 8.230 nan 0.000 0.449 344 L N -1.297 119.886 121.223 -0.067 0.000 2.446 344 L HA 0.024 4.363 4.340 -0.001 0.000 0.219 344 L C 2.768 179.609 176.870 -0.048 0.000 1.116 344 L CA 0.364 55.125 54.840 -0.131 0.000 0.844 344 L CB -0.521 41.403 42.059 -0.224 0.000 0.970 344 L HN 0.188 nan 8.230 nan 0.000 0.457 345 A N 1.500 124.402 122.820 0.136 0.000 1.915 345 A HA -0.195 4.124 4.320 -0.001 0.000 0.220 345 A C -0.098 177.642 177.584 0.260 0.000 1.198 345 A CA 2.072 54.275 52.037 0.276 0.000 0.647 345 A CB -1.834 17.330 19.000 0.273 0.000 0.825 345 A HN 0.274 nan 8.150 nan 0.000 0.456 346 P HA -0.093 nan 4.420 nan 0.000 0.218 346 P C 1.528 178.921 177.300 0.156 0.000 1.148 346 P CA 1.355 64.612 63.100 0.262 0.000 0.822 346 P CB -0.107 31.479 31.700 -0.190 0.000 0.784 347 V N -1.743 118.195 119.914 0.039 0.000 2.307 347 V HA -0.259 3.860 4.120 -0.001 0.000 0.245 347 V C 2.105 178.088 176.094 -0.185 0.000 1.045 347 V CA 1.780 64.026 62.300 -0.089 0.000 1.024 347 V CB -1.567 30.128 31.823 -0.213 0.000 0.651 347 V HN 0.017 nan 8.190 nan 0.000 0.449 348 Y N 0.294 120.547 120.300 -0.080 0.000 2.128 348 Y HA -0.261 4.288 4.550 -0.001 0.000 0.284 348 Y C 2.670 178.426 175.900 -0.240 0.000 1.154 348 Y CA 2.000 60.020 58.100 -0.134 0.000 1.149 348 Y CB -1.090 37.307 38.460 -0.105 0.000 0.976 348 Y HN 0.370 nan 8.280 nan 0.000 0.505 349 H N -1.188 117.738 119.070 -0.240 0.000 2.319 349 H HA -0.212 4.343 4.556 -0.001 0.000 0.299 349 H C 2.450 177.251 175.328 -0.879 0.000 1.092 349 H CA 2.123 57.819 56.048 -0.588 0.000 1.302 349 H CB -0.650 28.464 29.762 -1.080 0.000 1.373 349 H HN 0.442 nan 8.280 nan 0.000 0.497 350 C N -0.149 118.608 119.300 -0.905 0.000 2.435 350 C HA -0.006 4.453 4.460 -0.001 0.000 0.279 350 C C 2.744 177.067 174.990 -1.112 0.000 1.321 350 C CA 0.586 58.835 59.018 -1.282 0.000 1.752 350 C CB -1.447 25.548 27.740 -1.241 0.000 1.959 350 C HN 0.627 nan 8.230 nan 0.000 0.500 351 L N -0.075 120.748 121.223 -0.667 0.000 2.083 351 L HA -0.122 4.218 4.340 -0.001 0.000 0.209 351 L C 2.567 179.205 176.870 -0.387 0.000 1.083 351 L CA 1.923 56.483 54.840 -0.467 0.000 0.752 351 L CB -0.872 41.107 42.059 -0.132 0.000 0.899 351 L HN 0.473 nan 8.230 nan 0.000 0.433 352 H N -1.124 117.682 119.070 -0.441 0.000 2.457 352 H HA -0.180 4.376 4.556 -0.001 0.000 0.294 352 H C 1.978 177.146 175.328 -0.266 0.000 1.064 352 H CA 1.373 57.242 56.048 -0.298 0.000 1.330 352 H CB 0.049 29.651 29.762 -0.266 0.000 1.395 352 H HN 0.170 nan 8.280 nan 0.000 0.541 353 Y N -0.165 119.727 120.300 -0.680 0.000 2.097 353 Y HA -0.238 4.312 4.550 -0.001 0.000 0.282 353 Y C 2.182 177.740 175.900 -0.571 0.000 1.152 353 Y CA 1.148 58.824 58.100 -0.706 0.000 1.136 353 Y CB -1.234 36.791 38.460 -0.725 0.000 0.975 353 Y HN 0.230 nan 8.280 nan 0.000 0.498 354 F N 0.113 119.940 119.950 -0.206 0.000 2.120 354 F HA -0.207 4.319 4.527 -0.001 0.000 0.300 354 F C 2.473 178.116 175.800 -0.261 0.000 1.095 354 F CA 1.589 59.453 58.000 -0.227 0.000 1.249 354 F CB -1.223 37.682 39.000 -0.158 0.000 0.995 354 F HN 0.076 nan 8.300 nan 0.000 0.480 355 E N 0.507 120.635 120.200 -0.120 0.000 2.112 355 E HA -0.106 4.243 4.350 -0.001 0.000 0.190 355 E C 2.255 178.668 176.600 -0.311 0.000 0.979 355 E CA 0.587 56.885 56.400 -0.171 0.000 0.814 355 E CB -0.495 29.139 29.700 -0.111 0.000 0.762 355 E HN 0.385 nan 8.360 nan 0.000 0.460 356 L N 0.158 121.053 121.223 -0.546 0.000 2.012 356 L HA -0.176 4.163 4.340 -0.001 0.000 0.210 356 L C 2.225 178.776 176.870 -0.532 0.000 1.073 356 L CA 1.395 55.876 54.840 -0.597 0.000 0.748 356 L CB -0.288 41.304 42.059 -0.779 0.000 0.891 356 L HN 0.276 nan 8.230 nan 0.000 0.431 357 L N -0.478 120.412 121.223 -0.555 0.000 2.083 357 L HA -0.244 4.096 4.340 -0.001 0.000 0.209 357 L C 2.787 179.467 176.870 -0.316 0.000 1.083 357 L CA 1.087 55.613 54.840 -0.523 0.000 0.752 357 L CB -0.610 41.154 42.059 -0.491 0.000 0.899 357 L HN 0.252 nan 8.230 nan 0.000 0.433 358 K N 0.142 120.401 120.400 -0.235 0.000 2.025 358 K HA -0.174 4.146 4.320 -0.001 0.000 0.207 358 K C 2.085 178.602 176.600 -0.139 0.000 1.049 358 K CA 1.419 57.614 56.287 -0.154 0.000 0.933 358 K CB -0.255 32.175 32.500 -0.116 0.000 0.714 358 K HN 0.462 nan 8.250 nan 0.000 0.438 359 Q N 0.535 120.235 119.800 -0.166 0.000 2.124 359 Q HA -0.068 4.271 4.340 -0.001 0.000 0.202 359 Q C 2.315 178.233 176.000 -0.136 0.000 0.977 359 Q CA 1.018 56.741 55.803 -0.133 0.000 0.850 359 Q CB -0.128 28.526 28.738 -0.142 0.000 0.901 359 Q HN 0.247 nan 8.270 nan 0.000 0.429 360 L N 0.655 121.737 121.223 -0.235 0.000 2.046 360 L HA -0.188 4.152 4.340 -0.001 0.000 0.208 360 L C 2.655 179.542 176.870 0.028 0.000 1.077 360 L CA 0.929 55.628 54.840 -0.235 0.000 0.747 360 L CB -0.503 41.280 42.059 -0.460 0.000 0.896 360 L HN 0.271 nan 8.230 nan 0.000 0.432 361 E N 0.762 120.937 120.200 -0.041 0.000 2.058 361 E HA -0.294 4.056 4.350 -0.001 0.000 0.194 361 E C 1.975 178.592 176.600 0.027 0.000 0.997 361 E CA 1.770 58.171 56.400 0.002 0.000 0.801 361 E CB 0.090 29.759 29.700 -0.051 0.000 0.746 361 E HN 0.364 nan 8.360 nan 0.000 0.450 362 E N 0.550 120.752 120.200 0.004 0.000 2.150 362 E HA -0.095 4.255 4.350 -0.001 0.000 0.193 362 E C 1.566 178.196 176.600 0.050 0.000 0.985 362 E CA 1.288 57.696 56.400 0.014 0.000 0.814 362 E CB 0.050 29.746 29.700 -0.006 0.000 0.752 362 E HN 0.145 nan 8.360 nan 0.000 0.466 363 K N -0.355 120.100 120.400 0.091 0.000 2.367 363 K HA 0.175 4.494 4.320 -0.001 0.000 0.194 363 K C 0.402 177.129 176.600 0.212 0.000 1.027 363 K CA -0.017 56.357 56.287 0.146 0.000 1.075 363 K CB 0.561 33.151 32.500 0.149 0.000 0.845 363 K HN -0.096 nan 8.250 nan 0.000 0.529 364 S N 1.717 117.546 115.700 0.215 0.000 2.552 364 S HA -0.036 4.434 4.470 -0.001 0.000 0.289 364 S C 0.708 175.360 174.600 0.088 0.000 1.304 364 S CA 0.001 58.260 58.200 0.099 0.000 1.063 364 S CB 0.432 63.688 63.200 0.094 0.000 0.848 364 S HN 0.134 nan 8.310 nan 0.000 0.499 365 E N 2.787 123.055 120.200 0.113 0.000 2.465 365 E HA 0.155 4.504 4.350 -0.001 0.000 0.195 365 E C -0.681 175.826 176.600 -0.156 0.000 1.028 365 E CA 0.070 56.438 56.400 -0.054 0.000 0.899 365 E CB 0.257 29.883 29.700 -0.124 0.000 1.032 365 E HN 0.666 nan 8.360 nan 0.000 0.468 366 D N 0.050 120.370 120.400 -0.132 0.000 2.757 366 D HA 0.066 4.706 4.640 -0.001 0.000 0.249 366 D C 0.813 177.080 176.300 -0.056 0.000 1.168 366 D CA -0.353 53.574 54.000 -0.122 0.000 0.870 366 D CB 1.571 42.276 40.800 -0.159 0.000 1.411 366 D HN -0.349 nan 8.370 nan 0.000 0.525 367 Q N 2.555 122.326 119.800 -0.049 0.000 2.124 367 Q HA -0.196 4.143 4.340 -0.001 0.000 0.202 367 Q C 1.563 177.552 176.000 -0.019 0.000 0.977 367 Q CA 2.144 57.930 55.803 -0.029 0.000 0.850 367 Q CB 0.012 28.731 28.738 -0.032 0.000 0.901 367 Q HN 0.761 nan 8.270 nan 0.000 0.429 368 E N -0.800 119.385 120.200 -0.026 0.000 2.106 368 E HA -0.208 4.142 4.350 -0.001 0.000 0.192 368 E C 1.416 178.021 176.600 0.009 0.000 0.984 368 E CA 1.445 57.837 56.400 -0.014 0.000 0.806 368 E CB -0.373 29.312 29.700 -0.025 0.000 0.750 368 E HN 0.419 nan 8.360 nan 0.000 0.458 369 D N 0.768 121.176 120.400 0.013 0.000 2.097 369 D HA -0.143 4.496 4.640 -0.001 0.000 0.197 369 D C 1.891 178.229 176.300 0.064 0.000 0.984 369 D CA 1.526 55.559 54.000 0.056 0.000 0.826 369 D CB 0.110 40.945 40.800 0.058 0.000 0.973 369 D HN 0.120 nan 8.370 nan 0.000 0.460 370 K N 0.109 120.533 120.400 0.040 0.000 2.044 370 K HA -0.164 4.156 4.320 -0.001 0.000 0.210 370 K C 2.144 178.757 176.600 0.022 0.000 1.049 370 K CA 1.262 57.571 56.287 0.037 0.000 0.927 370 K CB -0.057 32.454 32.500 0.019 0.000 0.713 370 K HN 0.221 nan 8.250 nan 0.000 0.443 371 E N 0.548 120.756 120.200 0.014 0.000 2.058 371 E HA -0.208 4.142 4.350 -0.001 0.000 0.194 371 E C 2.281 178.891 176.600 0.016 0.000 0.997 371 E CA 1.141 57.546 56.400 0.008 0.000 0.801 371 E CB -0.638 29.064 29.700 0.003 0.000 0.746 371 E HN 0.344 nan 8.360 nan 0.000 0.450 372 C N 0.915 120.234 119.300 0.032 0.000 2.413 372 C HA -0.128 4.332 4.460 -0.001 0.000 0.276 372 C C 2.938 177.950 174.990 0.037 0.000 1.236 372 C CA 0.505 59.551 59.018 0.047 0.000 1.735 372 C CB -1.250 26.536 27.740 0.077 0.000 2.031 372 C HN 0.360 nan 8.230 nan 0.000 0.474 373 L N 0.454 121.694 121.223 0.028 0.000 2.017 373 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 373 L C 2.679 179.520 176.870 -0.048 0.000 1.073 373 L CA 1.630 56.454 54.840 -0.026 0.000 0.745 373 L CB -0.680 41.363 42.059 -0.026 0.000 0.894 373 L HN 0.376 nan 8.230 nan 0.000 0.432 374 K N -0.191 120.192 120.400 -0.029 0.000 2.063 374 K HA -0.247 4.072 4.320 -0.001 0.000 0.208 374 K C 2.187 178.767 176.600 -0.033 0.000 1.048 374 K CA 1.702 57.967 56.287 -0.036 0.000 0.928 374 K CB -0.166 32.320 32.500 -0.023 0.000 0.713 374 K HN 0.408 nan 8.250 nan 0.000 0.442 375 Q N -0.094 119.697 119.800 -0.015 0.000 2.084 375 Q HA -0.125 4.214 4.340 -0.001 0.000 0.202 375 Q C 2.160 178.156 176.000 -0.007 0.000 0.978 375 Q CA 1.439 57.239 55.803 -0.005 0.000 0.844 375 Q CB -0.163 28.583 28.738 0.013 0.000 0.898 375 Q HN 0.336 nan 8.270 nan 0.000 0.426 376 A N 1.069 123.884 122.820 -0.009 0.000 1.877 376 A HA -0.189 4.130 4.320 -0.001 0.000 0.216 376 A C 2.078 179.623 177.584 -0.066 0.000 1.186 376 A CA 1.210 53.237 52.037 -0.017 0.000 0.620 376 A CB -0.726 18.262 19.000 -0.020 0.000 0.822 376 A HN 0.311 nan 8.150 nan 0.000 0.443 377 I N -0.396 120.117 120.570 -0.094 0.000 2.151 377 I HA -0.288 3.881 4.170 -0.001 0.000 0.243 377 I C 2.654 178.713 176.117 -0.097 0.000 1.080 377 I CA 1.948 63.181 61.300 -0.112 0.000 1.339 377 I CB -0.761 37.172 38.000 -0.112 0.000 1.039 377 I HN 0.287 nan 8.210 nan 0.000 0.409 378 T N 0.742 115.255 114.554 -0.068 0.000 2.674 378 T HA -0.164 4.186 4.350 -0.001 0.000 0.265 378 T C 1.944 176.617 174.700 -0.044 0.000 1.039 378 T CA 1.531 63.597 62.100 -0.056 0.000 1.150 378 T CB -0.366 68.481 68.868 -0.036 0.000 0.864 378 T HN 0.500 nan 8.240 nan 0.000 0.427 379 A N 0.495 123.303 122.820 -0.020 0.000 2.178 379 A HA 0.122 4.442 4.320 -0.001 0.000 0.218 379 A C 1.981 179.571 177.584 0.010 0.000 1.157 379 A CA 0.929 52.972 52.037 0.009 0.000 0.689 379 A CB -0.610 18.414 19.000 0.041 0.000 0.787 379 A HN 0.517 nan 8.150 nan 0.000 0.465 380 L N -0.941 120.260 121.223 -0.036 0.000 2.640 380 L HA 0.187 4.527 4.340 -0.001 0.000 0.230 380 L C 1.741 178.520 176.870 -0.152 0.000 1.123 380 L CA -0.129 54.684 54.840 -0.044 0.000 0.900 380 L CB -0.005 42.029 42.059 -0.042 0.000 1.146 380 L HN 0.334 nan 8.230 nan 0.000 0.484 381 L N -0.041 121.092 121.223 -0.150 0.000 2.079 381 L HA -0.247 4.093 4.340 -0.001 0.000 0.210 381 L C 2.211 178.989 176.870 -0.153 0.000 1.081 381 L CA 1.179 55.905 54.840 -0.190 0.000 0.752 381 L CB -0.497 41.485 42.059 -0.128 0.000 0.896 381 L HN 0.450 nan 8.230 nan 0.000 0.433 382 N N -0.256 118.400 118.700 -0.074 0.000 2.106 382 N HA -0.139 4.600 4.740 -0.001 0.000 0.188 382 N C 1.909 177.408 175.510 -0.019 0.000 1.029 382 N CA 1.279 54.308 53.050 -0.034 0.000 0.848 382 N CB -0.470 38.021 38.487 0.007 0.000 1.007 382 N HN 0.113 nan 8.380 nan 0.000 0.423 383 V N 1.834 121.760 119.914 0.020 0.000 2.332 383 V HA -0.248 3.872 4.120 -0.001 0.000 0.248 383 V C 2.638 178.763 176.094 0.052 0.000 1.055 383 V CA 1.720 64.086 62.300 0.111 0.000 1.038 383 V CB -0.600 31.373 31.823 0.251 0.000 0.651 383 V HN 0.404 nan 8.190 nan 0.000 0.450 384 Q N 0.505 120.156 119.800 -0.250 0.000 2.046 384 Q HA -0.210 4.130 4.340 -0.001 0.000 0.200 384 Q C 2.419 178.279 176.000 -0.233 0.000 0.975 384 Q CA 2.398 57.846 55.803 -0.591 0.000 0.836 384 Q CB -0.186 27.737 28.738 -1.358 0.000 0.896 384 Q HN 0.775 nan 8.270 nan 0.000 0.428 385 S N -0.637 114.955 115.700 -0.180 0.000 2.402 385 S HA -0.057 4.412 4.470 -0.001 0.000 0.229 385 S C 1.988 176.567 174.600 -0.036 0.000 1.021 385 S CA 0.897 59.040 58.200 -0.096 0.000 0.974 385 S CB -0.758 62.393 63.200 -0.082 0.000 0.800 385 S HN 0.553 nan 8.310 nan 0.000 0.484 386 G N 1.746 110.539 108.800 -0.012 0.000 2.421 386 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.216 386 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.216 386 G C 1.517 176.443 174.900 0.044 0.000 1.171 386 G CA 0.994 46.108 45.100 0.024 0.000 0.775 386 G HN 0.511 nan 8.290 nan 0.000 0.543 387 M N -0.051 119.596 119.600 0.078 0.000 2.254 387 M HA 0.038 4.518 4.480 -0.001 0.000 0.265 387 M C 2.378 178.715 176.300 0.061 0.000 1.066 387 M CA 1.321 56.681 55.300 0.100 0.000 1.123 387 M CB -0.101 32.614 32.600 0.192 0.000 1.388 387 M HN 0.235 nan 8.290 nan 0.000 0.425 388 E N 1.103 121.328 120.200 0.042 0.000 2.085 388 E HA -0.202 4.148 4.350 -0.001 0.000 0.194 388 E C 1.745 178.348 176.600 0.005 0.000 0.994 388 E CA 1.686 58.096 56.400 0.018 0.000 0.801 388 E CB 0.082 29.774 29.700 -0.014 0.000 0.743 388 E HN 0.131 nan 8.360 nan 0.000 0.453 389 K N -0.063 120.338 120.400 0.002 0.000 2.057 389 K HA 0.015 4.335 4.320 -0.001 0.000 0.207 389 K C 2.059 178.659 176.600 -0.001 0.000 1.049 389 K CA 1.291 57.578 56.287 -0.001 0.000 0.931 389 K CB -0.266 32.233 32.500 -0.000 0.000 0.714 389 K HN 0.223 nan 8.250 nan 0.000 0.440 390 I N -0.199 120.373 120.570 0.003 0.000 2.252 390 I HA -0.335 3.834 4.170 -0.001 0.000 0.245 390 I C 1.761 177.866 176.117 -0.020 0.000 1.102 390 I CA 0.977 62.273 61.300 -0.007 0.000 1.385 390 I CB -0.202 37.797 38.000 -0.002 0.000 1.064 390 I HN 0.163 nan 8.210 nan 0.000 0.414 391 C N 0.305 119.595 119.300 -0.016 0.000 2.481 391 C HA -0.023 4.437 4.460 -0.001 0.000 0.275 391 C C 3.031 178.008 174.990 -0.023 0.000 1.419 391 C CA 0.875 59.875 59.018 -0.030 0.000 1.773 391 C CB -1.221 26.504 27.740 -0.025 0.000 1.862 391 C HN 0.613 nan 8.230 nan 0.000 0.530 392 S N 0.188 115.880 115.700 -0.012 0.000 2.496 392 S HA 0.031 4.500 4.470 -0.001 0.000 0.224 392 S C 0.522 175.116 174.600 -0.010 0.000 0.996 392 S CA 0.245 58.440 58.200 -0.009 0.000 0.927 392 S CB -0.322 62.875 63.200 -0.006 0.000 0.774 392 S HN 0.623 nan 8.310 nan 0.000 0.524 393 K N 1.943 122.336 120.400 -0.013 0.000 2.485 393 K HA 0.134 4.453 4.320 -0.001 0.000 0.277 393 K C 1.236 177.828 176.600 -0.012 0.000 0.990 393 K CA 0.296 56.576 56.287 -0.010 0.000 0.994 393 K CB 0.444 32.938 32.500 -0.011 0.000 0.906 393 K HN 0.161 nan 8.250 nan 0.000 0.488 394 S N 3.065 118.761 115.700 -0.006 0.000 2.368 394 S HA -0.183 4.287 4.470 -0.001 0.000 0.226 394 S C 1.776 176.370 174.600 -0.010 0.000 1.044 394 S CA 1.323 59.520 58.200 -0.005 0.000 1.062 394 S CB -0.041 63.160 63.200 0.002 0.000 0.931 394 S HN 0.466 nan 8.310 nan 0.000 0.440 395 L N 1.298 122.516 121.223 -0.009 0.000 1.989 395 L HA -0.097 4.243 4.340 -0.001 0.000 0.211 395 L C 2.997 179.847 176.870 -0.033 0.000 1.071 395 L CA 2.196 57.028 54.840 -0.013 0.000 0.749 395 L CB -2.142 39.915 42.059 -0.003 0.000 0.890 395 L HN 0.463 nan 8.230 nan 0.000 0.431 396 A N -0.026 122.769 122.820 -0.042 0.000 1.873 396 A HA -0.291 4.029 4.320 -0.001 0.000 0.218 396 A C 2.462 180.007 177.584 -0.065 0.000 1.193 396 A CA 2.227 54.223 52.037 -0.069 0.000 0.629 396 A CB -0.635 18.322 19.000 -0.071 0.000 0.826 396 A HN 0.397 nan 8.150 nan 0.000 0.447 397 K N -0.855 119.519 120.400 -0.043 0.000 2.113 397 K HA -0.264 4.055 4.320 -0.001 0.000 0.208 397 K C 2.281 178.863 176.600 -0.030 0.000 1.047 397 K CA 1.942 58.210 56.287 -0.031 0.000 0.928 397 K CB -0.132 32.357 32.500 -0.018 0.000 0.716 397 K HN 0.329 nan 8.250 nan 0.000 0.446 398 R N 0.913 121.395 120.500 -0.031 0.000 2.090 398 R HA -0.014 4.326 4.340 -0.001 0.000 0.228 398 R C 2.092 178.363 176.300 -0.047 0.000 1.110 398 R CA 1.441 57.522 56.100 -0.031 0.000 0.973 398 R CB -0.115 30.171 30.300 -0.022 0.000 0.869 398 R HN 0.187 nan 8.270 nan 0.000 0.440 399 R N -0.142 120.321 120.500 -0.062 0.000 2.073 399 R HA -0.057 4.282 4.340 -0.001 0.000 0.234 399 R C 2.340 178.601 176.300 -0.066 0.000 1.134 399 R CA 1.813 57.862 56.100 -0.086 0.000 0.952 399 R CB -0.595 29.633 30.300 -0.119 0.000 0.850 399 R HN 0.206 nan 8.270 nan 0.000 0.433 400 L N 0.071 121.253 121.223 -0.068 0.000 2.042 400 L HA -0.206 4.134 4.340 -0.001 0.000 0.210 400 L C 2.687 179.632 176.870 0.126 0.000 1.076 400 L CA 1.323 56.162 54.840 -0.003 0.000 0.749 400 L CB -0.496 41.520 42.059 -0.071 0.000 0.893 400 L HN 0.235 nan 8.230 nan 0.000 0.432 401 S N -0.509 115.206 115.700 0.026 0.000 2.383 401 S HA -0.244 4.226 4.470 -0.001 0.000 0.227 401 S C 1.950 176.510 174.600 -0.066 0.000 1.026 401 S CA 1.574 59.766 58.200 -0.012 0.000 0.981 401 S CB -0.129 63.053 63.200 -0.031 0.000 0.818 401 S HN 0.482 nan 8.310 nan 0.000 0.472 402 E N 0.224 120.381 120.200 -0.073 0.000 2.058 402 E HA -0.080 4.270 4.350 -0.001 0.000 0.194 402 E C 0.911 177.418 176.600 -0.156 0.000 0.997 402 E CA 1.445 57.763 56.400 -0.135 0.000 0.801 402 E CB -0.137 29.493 29.700 -0.116 0.000 0.746 402 E HN 0.507 nan 8.360 nan 0.000 0.450 403 S N 0.224 115.892 115.700 -0.054 0.000 2.583 403 S HA 0.392 4.861 4.470 -0.001 0.000 0.239 403 S C 0.017 174.549 174.600 -0.113 0.000 0.966 403 S CA -0.108 58.063 58.200 -0.048 0.000 0.973 403 S CB 0.926 64.158 63.200 0.055 0.000 0.794 403 S HN 0.414 nan 8.310 nan 0.000 0.463 420 K N 1.826 122.213 120.400 -0.022 0.000 2.147 420 K HA -0.088 4.232 4.320 -0.001 0.000 0.205 420 K C 1.810 178.376 176.600 -0.055 0.000 1.049 420 K CA 1.484 57.748 56.287 -0.038 0.000 0.936 420 K CB 0.023 32.506 32.500 -0.028 0.000 0.722 420 K HN 0.406 nan 8.250 nan 0.000 0.446 421 K N 1.110 121.481 120.400 -0.048 0.000 2.062 421 K HA 0.065 4.385 4.320 -0.001 0.000 0.205 421 K C 2.124 178.667 176.600 -0.095 0.000 1.051 421 K CA 1.009 57.244 56.287 -0.087 0.000 0.941 421 K CB -0.076 32.360 32.500 -0.106 0.000 0.719 421 K HN -0.001 nan 8.250 nan 0.000 0.440 422 M N 0.668 120.252 119.600 -0.027 0.000 2.080 422 M HA -0.195 4.284 4.480 -0.001 0.000 0.260 422 M C 1.608 177.780 176.300 -0.212 0.000 1.068 422 M CA 1.617 56.878 55.300 -0.064 0.000 1.109 422 M CB -0.438 32.127 32.600 -0.060 0.000 1.342 422 M HN 0.170 nan 8.290 nan 0.000 0.405 423 N N -0.146 118.448 118.700 -0.176 0.000 2.270 423 N HA -0.105 4.635 4.740 -0.001 0.000 0.181 423 N C 1.545 176.935 175.510 -0.200 0.000 1.016 423 N CA 0.956 53.882 53.050 -0.207 0.000 0.870 423 N CB -0.213 38.186 38.487 -0.147 0.000 0.979 423 N HN 0.358 nan 8.380 nan 0.000 0.431 424 E N 0.972 121.078 120.200 -0.157 0.000 2.208 424 E HA 0.019 4.368 4.350 -0.001 0.000 0.193 424 E C 2.039 178.536 176.600 -0.171 0.000 0.988 424 E CA 0.284 56.604 56.400 -0.134 0.000 0.828 424 E CB 0.093 29.735 29.700 -0.096 0.000 0.763 424 E HN 0.451 nan 8.360 nan 0.000 0.478 425 I N 0.383 120.807 120.570 -0.243 0.000 2.480 425 I HA -0.181 3.988 4.170 -0.001 0.000 0.251 425 I C 2.640 178.496 176.117 -0.436 0.000 1.124 425 I CA 0.604 61.682 61.300 -0.369 0.000 1.444 425 I CB -0.139 37.592 38.000 -0.448 0.000 1.098 425 I HN 0.059 nan 8.210 nan 0.000 0.428 426 Q N 1.268 120.787 119.800 -0.469 0.000 2.224 426 Q HA -0.194 4.146 4.340 -0.001 0.000 0.203 426 Q C 1.563 177.335 176.000 -0.381 0.000 0.970 426 Q CA 1.282 56.717 55.803 -0.613 0.000 0.865 426 Q CB 0.229 28.455 28.738 -0.853 0.000 0.922 426 Q HN 0.167 nan 8.270 nan 0.000 0.445 427 K N 0.183 120.423 120.400 -0.266 0.000 2.525 427 K HA 0.023 4.343 4.320 -0.001 0.000 0.192 427 K C 0.525 177.075 176.600 -0.084 0.000 1.029 427 K CA 0.447 56.640 56.287 -0.156 0.000 1.029 427 K CB 0.053 32.474 32.500 -0.131 0.000 0.814 427 K HN 0.217 nan 8.250 nan 0.000 0.503 428 N N -0.038 118.615 118.700 -0.079 0.000 2.238 428 N HA 0.197 4.936 4.740 -0.001 0.000 0.235 428 N C -0.970 174.605 175.510 0.109 0.000 1.209 428 N CA 0.020 53.085 53.050 0.026 0.000 0.879 428 N CB 0.622 39.156 38.487 0.078 0.000 1.136 428 N HN -0.025 nan 8.380 nan 0.000 0.517 429 I N 0.674 121.265 120.570 0.036 0.000 2.418 429 I HA 0.201 4.370 4.170 -0.001 0.000 0.287 429 I C -0.757 175.444 176.117 0.141 0.000 1.008 429 I CA -0.826 60.554 61.300 0.133 0.000 1.104 429 I CB 1.690 39.758 38.000 0.113 0.000 1.264 429 I HN 0.004 nan 8.210 nan 0.000 0.438 430 D N 4.384 124.880 120.400 0.159 0.000 2.283 430 D HA 0.399 5.039 4.640 -0.001 0.000 0.248 430 D C 0.797 177.189 176.300 0.154 0.000 1.072 430 D CA 0.456 54.534 54.000 0.129 0.000 0.929 430 D CB 1.565 42.420 40.800 0.093 0.000 1.182 430 D HN 0.793 nan 8.370 nan 0.000 0.433 431 G N 2.815 111.697 108.800 0.137 0.000 2.298 431 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.287 431 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.287 431 G C 0.140 175.128 174.900 0.147 0.000 1.075 431 G CA 0.051 45.222 45.100 0.119 0.000 0.960 431 G HN 0.484 nan 8.290 nan 0.000 0.502 432 W N 0.591 121.890 121.300 -0.002 0.000 2.190 432 W HA 0.514 5.174 4.660 -0.001 0.000 0.330 432 W C 0.133 176.649 176.519 -0.005 0.000 1.299 432 W CA 0.152 57.488 57.345 -0.016 0.000 1.215 432 W CB 0.604 30.043 29.460 -0.036 0.000 1.147 432 W HN 0.420 nan 8.180 nan 0.000 0.563 433 E N 2.328 122.070 120.200 -0.763 0.000 2.336 433 E HA 0.542 4.892 4.350 -0.001 0.000 0.267 433 E C 0.251 176.512 176.600 -0.565 0.000 0.906 433 E CA -0.367 55.752 56.400 -0.468 0.000 0.781 433 E CB 1.769 31.283 29.700 -0.309 0.000 1.261 433 E HN 0.715 nan 8.360 nan 0.000 0.436 434 G N 1.736 110.432 108.800 -0.173 0.000 2.645 434 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.246 434 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.246 434 G C -0.319 174.654 174.900 0.121 0.000 1.322 434 G CA -0.507 44.580 45.100 -0.022 0.000 0.898 434 G HN 0.328 nan 8.290 nan 0.000 0.573 435 K N 0.701 121.217 120.400 0.192 0.000 2.118 435 K HA 0.316 4.636 4.320 -0.001 0.000 0.240 435 K C 0.470 177.320 176.600 0.415 0.000 1.035 435 K CA -0.456 55.979 56.287 0.247 0.000 0.899 435 K CB 0.077 32.679 32.500 0.169 0.000 1.085 435 K HN 0.568 nan 8.250 nan 0.000 0.498 436 D N 0.649 121.192 120.400 0.239 0.000 2.362 436 D HA 0.010 4.650 4.640 -0.001 0.000 0.238 436 D C 1.692 178.029 176.300 0.063 0.000 1.212 436 D CA 0.075 54.123 54.000 0.081 0.000 0.902 436 D CB 0.460 41.216 40.800 -0.072 0.000 1.180 436 D HN 0.327 nan 8.370 nan 0.000 0.445 437 I N 0.489 120.967 120.570 -0.153 0.000 2.286 437 I HA -0.156 4.014 4.170 -0.001 0.000 0.248 437 I C 2.284 178.301 176.117 -0.167 0.000 1.115 437 I CA 1.257 62.421 61.300 -0.228 0.000 1.392 437 I CB -0.334 37.321 38.000 -0.575 0.000 1.065 437 I HN 0.444 nan 8.210 nan 0.000 0.418 438 G N 0.097 108.814 108.800 -0.138 0.000 2.509 438 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.218 438 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.218 438 G C 1.380 176.271 174.900 -0.016 0.000 1.124 438 G CA 0.177 45.236 45.100 -0.068 0.000 0.776 438 G HN 0.305 nan 8.290 nan 0.000 0.547 439 Q N -0.257 119.546 119.800 0.005 0.000 2.282 439 Q HA 0.135 4.475 4.340 -0.001 0.000 0.205 439 Q C 1.462 177.503 176.000 0.068 0.000 0.915 439 Q CA 0.609 56.436 55.803 0.041 0.000 0.949 439 Q CB -0.115 28.660 28.738 0.060 0.000 1.035 439 Q HN 0.766 nan 8.270 nan 0.000 0.484 440 C N -5.182 114.154 119.300 0.060 0.000 4.210 440 C HA 0.388 4.848 4.460 -0.001 0.000 0.334 440 C C 0.436 175.472 174.990 0.077 0.000 2.231 440 C CA -1.030 58.043 59.018 0.091 0.000 1.540 440 C CB -0.376 27.454 27.740 0.150 0.000 2.780 440 C HN 0.250 nan 8.230 nan 0.000 0.536 441 C N 2.088 121.414 119.300 0.044 0.000 2.707 441 C HA 0.662 5.121 4.460 -0.001 0.000 0.313 441 C C 0.746 175.789 174.990 0.089 0.000 1.209 441 C CA -0.150 58.915 59.018 0.078 0.000 1.635 441 C CB 1.663 29.427 27.740 0.041 0.000 2.206 441 C HN 0.589 nan 8.230 nan 0.000 0.485 442 N N 0.214 118.991 118.700 0.127 0.000 2.239 442 N HA 0.143 4.883 4.740 -0.001 0.000 0.208 442 N C -0.370 175.221 175.510 0.135 0.000 1.200 442 N CA 0.200 53.312 53.050 0.103 0.000 0.895 442 N CB 0.832 39.362 38.487 0.070 0.000 1.085 442 N HN 0.695 nan 8.380 nan 0.000 0.500 443 E N -0.036 120.283 120.200 0.199 0.000 2.412 443 E HA 0.242 4.591 4.350 -0.001 0.000 0.279 443 E C -1.662 175.096 176.600 0.263 0.000 0.984 443 E CA -0.660 55.853 56.400 0.187 0.000 0.788 443 E CB 1.934 31.673 29.700 0.066 0.000 1.277 443 E HN -0.086 nan 8.360 nan 0.000 0.455 444 F N 2.242 122.157 119.950 -0.059 0.000 2.404 444 F HA 0.419 4.945 4.527 -0.001 0.000 0.354 444 F C 0.415 176.020 175.800 -0.325 0.000 1.122 444 F CA -0.420 57.330 58.000 -0.417 0.000 1.080 444 F CB 0.327 39.081 39.000 -0.409 0.000 1.131 444 F HN 0.469 nan 8.300 nan 0.000 0.471 445 I N 3.891 123.862 120.570 -0.999 0.000 2.834 445 I HA 0.141 4.311 4.170 -0.001 0.000 0.239 445 I C 0.410 175.874 176.117 -1.089 0.000 1.073 445 I CA 0.279 61.093 61.300 -0.809 0.000 1.459 445 I CB 0.011 37.715 38.000 -0.494 0.000 1.288 445 I HN 0.404 nan 8.210 nan 0.000 0.455 446 M N 0.058 118.964 119.600 -1.157 0.000 2.658 446 M HA 0.364 4.843 4.480 -0.001 0.000 0.295 446 M C -1.097 174.792 176.300 -0.684 0.000 1.248 446 M CA -0.400 54.320 55.300 -0.967 0.000 0.843 446 M CB 3.272 35.250 32.600 -1.036 0.000 1.749 446 M HN -0.002 nan 8.290 nan 0.000 0.464 447 E N 0.812 120.789 120.200 -0.371 0.000 2.361 447 E HA 0.607 4.957 4.350 -0.001 0.000 0.270 447 E C -1.451 175.068 176.600 -0.136 0.000 0.911 447 E CA -0.351 55.949 56.400 -0.167 0.000 0.818 447 E CB 1.483 31.259 29.700 0.126 0.000 1.332 447 E HN 0.848 nan 8.360 nan 0.000 0.402 448 G N 1.637 110.432 108.800 -0.009 0.000 2.911 448 G HA2 0.558 4.517 3.960 -0.001 0.000 0.299 448 G HA3 0.558 4.517 3.960 -0.001 0.000 0.299 448 G C -0.984 173.953 174.900 0.063 0.000 1.283 448 G CA -0.477 44.742 45.100 0.198 0.000 0.805 448 G HN 0.296 nan 8.290 nan 0.000 0.548 449 T N 0.465 115.126 114.554 0.179 0.000 2.841 449 T HA 0.730 5.080 4.350 -0.001 0.000 0.283 449 T C -0.621 174.085 174.700 0.010 0.000 1.000 449 T CA -0.175 61.985 62.100 0.100 0.000 0.977 449 T CB 1.345 70.314 68.868 0.170 0.000 0.979 449 T HN 0.419 nan 8.240 nan 0.000 0.446 450 L N 1.166 122.365 121.223 -0.040 0.000 2.479 450 L HA 0.629 4.968 4.340 -0.001 0.000 0.255 450 L C -0.524 176.349 176.870 0.005 0.000 1.026 450 L CA -1.064 53.740 54.840 -0.059 0.000 0.842 450 L CB 2.755 44.706 42.059 -0.179 0.000 1.444 450 L HN 0.526 nan 8.230 nan 0.000 0.409 451 T N 0.879 115.409 114.554 -0.039 0.000 2.786 451 T HA 0.329 4.679 4.350 -0.001 0.000 0.283 451 T C -0.369 174.162 174.700 -0.282 0.000 0.992 451 T CA -0.422 61.610 62.100 -0.113 0.000 0.954 451 T CB 1.281 70.098 68.868 -0.086 0.000 0.934 451 T HN 0.414 nan 8.240 nan 0.000 0.440 452 R N 3.560 123.812 120.500 -0.413 0.000 2.242 452 R HA 0.311 4.651 4.340 -0.001 0.000 0.334 452 R C -0.402 175.623 176.300 -0.458 0.000 1.071 452 R CA -0.415 55.259 56.100 -0.710 0.000 0.922 452 R CB 0.119 29.985 30.300 -0.724 0.000 1.023 452 R HN 0.429 nan 8.270 nan 0.000 0.458 453 V N 5.980 125.616 119.914 -0.463 0.000 2.479 453 V HA 0.071 4.191 4.120 -0.001 0.000 0.284 453 V C 1.441 177.393 176.094 -0.236 0.000 0.981 453 V CA 1.802 63.918 62.300 -0.306 0.000 1.139 453 V CB 0.342 31.942 31.823 -0.370 0.000 0.947 453 V HN 1.195 nan 8.190 nan 0.000 0.468 454 G N 3.686 112.386 108.800 -0.166 0.000 2.380 454 G HA2 -0.032 3.927 3.960 -0.001 0.000 0.197 454 G HA3 -0.032 3.927 3.960 -0.001 0.000 0.197 454 G C 0.396 175.218 174.900 -0.129 0.000 1.001 454 G CA 0.097 45.122 45.100 -0.126 0.000 0.668 454 G HN 1.291 nan 8.290 nan 0.000 0.483 455 A N 0.803 123.512 122.820 -0.184 0.000 2.272 455 A HA 0.686 5.006 4.320 -0.001 0.000 0.275 455 A C 1.491 178.982 177.584 -0.154 0.000 1.096 455 A CA 0.849 52.766 52.037 -0.199 0.000 0.822 455 A CB 0.533 19.351 19.000 -0.303 0.000 1.088 455 A HN 0.628 nan 8.150 nan 0.000 0.495 456 K N 0.289 120.606 120.400 -0.139 0.000 2.202 456 K HA 0.014 4.333 4.320 -0.001 0.000 0.201 456 K C 0.028 176.644 176.600 0.026 0.000 1.051 456 K CA 0.842 57.119 56.287 -0.016 0.000 0.977 456 K CB -0.073 32.485 32.500 0.097 0.000 0.792 456 K HN 0.886 nan 8.250 nan 0.000 0.469 457 H N 1.309 120.373 119.070 -0.009 0.000 2.538 457 H HA 0.337 4.893 4.556 -0.001 0.000 0.353 457 H C -1.153 174.183 175.328 0.013 0.000 1.109 457 H CA -1.063 54.990 56.048 0.008 0.000 1.192 457 H CB 1.167 30.943 29.762 0.023 0.000 1.555 457 H HN 0.034 nan 8.280 nan 0.000 0.518 458 E N 3.151 123.395 120.200 0.073 0.000 2.558 458 E HA 0.060 4.409 4.350 -0.001 0.000 0.255 458 E C -0.459 176.212 176.600 0.118 0.000 0.968 458 E CA -0.104 56.325 56.400 0.050 0.000 0.939 458 E CB 0.466 30.211 29.700 0.075 0.000 0.921 458 E HN 0.504 nan 8.360 nan 0.000 0.477 459 R N 2.471 123.017 120.500 0.077 0.000 2.404 459 R HA 0.272 4.611 4.340 -0.001 0.000 0.291 459 R C -0.411 175.991 176.300 0.169 0.000 1.025 459 R CA -0.999 55.192 56.100 0.151 0.000 0.991 459 R CB 0.626 30.984 30.300 0.097 0.000 1.053 459 R HN 0.653 nan 8.270 nan 0.000 0.479 460 H N 2.300 121.452 119.070 0.136 0.000 2.610 460 H HA 0.345 4.901 4.556 -0.001 0.000 0.336 460 H C -0.559 174.732 175.328 -0.062 0.000 1.087 460 H CA -0.003 56.070 56.048 0.042 0.000 1.405 460 H CB 0.542 30.378 29.762 0.123 0.000 1.460 460 H HN 0.410 nan 8.280 nan 0.000 0.538 461 I N 5.378 125.593 120.570 -0.591 0.000 2.498 461 I HA 0.202 4.372 4.170 -0.001 0.000 0.290 461 I C -1.036 174.841 176.117 -0.401 0.000 1.032 461 I CA -0.738 60.370 61.300 -0.320 0.000 1.073 461 I CB 1.519 39.400 38.000 -0.198 0.000 1.251 461 I HN 0.457 nan 8.210 nan 0.000 0.426 462 F N 6.102 126.103 119.950 0.084 0.000 2.411 462 F HA 0.460 4.987 4.527 -0.001 0.000 0.352 462 F C -0.105 175.857 175.800 0.269 0.000 1.123 462 F CA -0.525 57.625 58.000 0.249 0.000 1.044 462 F CB 1.360 40.608 39.000 0.412 0.000 1.135 462 F HN 0.213 nan 8.300 nan 0.000 0.461 463 L N 5.099 126.418 121.223 0.160 0.000 2.287 463 L HA 0.551 4.891 4.340 -0.001 0.000 0.287 463 L C -1.412 175.333 176.870 -0.208 0.000 1.022 463 L CA -0.360 54.506 54.840 0.043 0.000 0.814 463 L CB 0.664 42.666 42.059 -0.094 0.000 1.217 463 L HN 0.478 nan 8.230 nan 0.000 0.420 464 F N 1.942 121.953 119.950 0.102 0.000 2.575 464 F HA 0.290 4.816 4.527 -0.001 0.000 0.330 464 F C 1.474 177.294 175.800 0.034 0.000 1.056 464 F CA -0.737 57.321 58.000 0.096 0.000 0.964 464 F CB 1.038 40.134 39.000 0.160 0.000 1.258 464 F HN 0.561 nan 8.300 nan 0.000 0.484 465 D N -0.310 120.213 120.400 0.206 0.000 2.218 465 D HA -0.099 4.541 4.640 -0.001 0.000 0.204 465 D C 1.560 177.941 176.300 0.135 0.000 0.976 465 D CA 1.385 55.453 54.000 0.113 0.000 0.853 465 D CB -0.337 40.513 40.800 0.083 0.000 0.939 465 D HN 0.697 nan 8.370 nan 0.000 0.481 466 G N -0.335 108.575 108.800 0.183 0.000 2.944 466 G HA2 0.380 4.340 3.960 -0.001 0.000 0.220 466 G HA3 0.380 4.340 3.960 -0.001 0.000 0.220 466 G C 0.572 175.545 174.900 0.122 0.000 1.100 466 G CA -0.257 44.930 45.100 0.146 0.000 0.780 466 G HN 0.191 nan 8.290 nan 0.000 0.539 467 L N 0.361 121.689 121.223 0.174 0.000 2.482 467 L HA 0.526 4.865 4.340 -0.001 0.000 0.263 467 L C -1.057 175.964 176.870 0.252 0.000 0.957 467 L CA -0.588 54.321 54.840 0.115 0.000 0.836 467 L CB 2.819 44.868 42.059 -0.017 0.000 1.324 467 L HN -0.013 nan 8.230 nan 0.000 0.406 468 M N 4.755 124.462 119.600 0.179 0.000 2.036 468 M HA 0.526 5.005 4.480 -0.001 0.000 0.337 468 M C -1.341 175.021 176.300 0.103 0.000 1.012 468 M CA -0.404 55.012 55.300 0.193 0.000 0.962 468 M CB 0.682 33.386 32.600 0.173 0.000 1.423 468 M HN 0.472 nan 8.290 nan 0.000 0.405 469 I N 4.356 125.051 120.570 0.208 0.000 2.315 469 I HA 0.279 4.448 4.170 -0.001 0.000 0.291 469 I C -0.690 175.507 176.117 0.134 0.000 1.006 469 I CA -0.662 60.728 61.300 0.151 0.000 1.265 469 I CB 1.061 39.254 38.000 0.321 0.000 1.387 469 I HN 0.655 nan 8.210 nan 0.000 0.475 470 C N 5.842 125.131 119.300 -0.019 0.000 2.255 470 C HA 0.559 5.018 4.460 -0.001 0.000 0.326 470 C C 0.403 175.453 174.990 0.100 0.000 1.258 470 C CA -0.666 58.361 59.018 0.014 0.000 1.676 470 C CB -0.451 27.248 27.740 -0.069 0.000 2.314 470 C HN 0.802 nan 8.230 nan 0.000 0.509 471 C N 2.372 121.797 119.300 0.208 0.000 2.771 471 C HA 0.724 5.183 4.460 -0.001 0.000 0.333 471 C C -0.059 175.151 174.990 0.366 0.000 1.267 471 C CA -0.850 58.351 59.018 0.304 0.000 1.721 471 C CB 1.577 29.568 27.740 0.418 0.000 2.222 471 C HN 0.881 nan 8.230 nan 0.000 0.485 472 K N 0.828 121.456 120.400 0.382 0.000 2.244 472 K HA 0.475 4.795 4.320 -0.001 0.000 0.260 472 K C -0.514 176.262 176.600 0.293 0.000 0.951 472 K CA 0.144 56.639 56.287 0.347 0.000 0.826 472 K CB 1.402 34.030 32.500 0.214 0.000 1.108 472 K HN 0.730 nan 8.250 nan 0.000 0.433 473 S N 3.564 119.392 115.700 0.213 0.000 2.499 473 S HA 0.286 4.755 4.470 -0.001 0.000 0.275 473 S C -0.558 173.987 174.600 -0.091 0.000 1.257 473 S CA -0.579 57.608 58.200 -0.021 0.000 1.050 473 S CB 0.201 63.372 63.200 -0.049 0.000 0.937 473 S HN 0.676 nan 8.310 nan 0.000 0.490 488 Y N 0.485 120.833 120.300 0.080 0.000 2.587 488 Y HA 0.680 5.230 4.550 -0.001 0.000 0.337 488 Y C -0.087 175.879 175.900 0.110 0.000 1.065 488 Y CA -1.053 57.121 58.100 0.123 0.000 1.126 488 Y CB 1.207 39.807 38.460 0.234 0.000 1.279 488 Y HN -0.188 nan 8.280 nan 0.000 0.489 489 R N 1.566 122.245 120.500 0.298 0.000 2.513 489 R HA 0.497 4.837 4.340 -0.001 0.000 0.301 489 R C -1.851 174.577 176.300 0.214 0.000 0.968 489 R CA -0.832 55.388 56.100 0.200 0.000 0.872 489 R CB 0.924 31.298 30.300 0.124 0.000 1.177 489 R HN 0.701 nan 8.270 nan 0.000 0.444 490 L N 4.198 125.529 121.223 0.180 0.000 2.490 490 L HA 0.198 4.537 4.340 -0.001 0.000 0.274 490 L C 0.028 176.943 176.870 0.076 0.000 1.201 490 L CA 1.001 55.917 54.840 0.128 0.000 0.869 490 L CB 0.577 42.681 42.059 0.075 0.000 1.123 490 L HN 0.744 nan 8.230 nan 0.000 0.484 491 K N 2.687 123.114 120.400 0.045 0.000 2.418 491 K HA 0.301 4.621 4.320 -0.001 0.000 0.208 491 K C -0.237 176.317 176.600 -0.077 0.000 1.261 491 K CA 0.392 56.690 56.287 0.019 0.000 0.874 491 K CB 0.253 32.789 32.500 0.060 0.000 1.451 491 K HN 0.554 nan 8.250 nan 0.000 0.466 492 E N 0.921 121.012 120.200 -0.180 0.000 2.224 492 E HA 0.275 4.625 4.350 -0.001 0.000 0.265 492 E C -1.191 175.102 176.600 -0.511 0.000 0.878 492 E CA -0.357 55.793 56.400 -0.416 0.000 0.759 492 E CB 2.545 31.784 29.700 -0.769 0.000 1.164 492 E HN -0.085 nan 8.360 nan 0.000 0.414 493 K N 4.027 124.183 120.400 -0.407 0.000 2.464 493 K HA 0.351 4.670 4.320 -0.001 0.000 0.252 493 K C -1.266 175.266 176.600 -0.113 0.000 1.000 493 K CA -0.520 55.560 56.287 -0.344 0.000 0.951 493 K CB 0.369 32.615 32.500 -0.424 0.000 1.183 493 K HN 0.264 nan 8.250 nan 0.000 0.445 494 F N 3.860 123.737 119.950 -0.120 0.000 2.420 494 F HA 0.396 4.922 4.527 -0.001 0.000 0.342 494 F C -0.089 175.642 175.800 -0.114 0.000 1.113 494 F CA -1.282 56.702 58.000 -0.026 0.000 1.059 494 F CB 0.557 39.588 39.000 0.050 0.000 1.128 494 F HN 0.301 nan 8.300 nan 0.000 0.475 495 F N 3.894 123.971 119.950 0.213 0.000 2.424 495 F HA 0.289 4.816 4.527 -0.001 0.000 0.356 495 F C 0.547 176.404 175.800 0.095 0.000 1.110 495 F CA -0.710 57.363 58.000 0.122 0.000 1.161 495 F CB 0.538 39.580 39.000 0.070 0.000 1.115 495 F HN 0.143 nan 8.300 nan 0.000 0.507 496 M N 5.365 125.094 119.600 0.215 0.000 2.455 496 M HA 0.180 4.660 4.480 -0.001 0.000 0.331 496 M C 0.453 176.819 176.300 0.112 0.000 1.481 496 M CA 0.684 56.069 55.300 0.142 0.000 1.362 496 M CB -0.227 32.442 32.600 0.115 0.000 1.564 496 M HN 0.746 nan 8.290 nan 0.000 0.458 497 R N 2.715 123.262 120.500 0.079 0.000 2.485 497 R HA 0.056 4.395 4.340 -0.001 0.000 0.250 497 R C -0.988 175.313 176.300 0.002 0.000 0.688 497 R CA -0.062 56.059 56.100 0.036 0.000 0.904 497 R CB 0.404 30.736 30.300 0.054 0.000 1.367 497 R HN 0.532 nan 8.270 nan 0.000 0.585 498 K N -0.619 119.777 120.400 -0.007 0.000 2.509 498 K HA 0.276 4.595 4.320 -0.001 0.000 0.266 498 K C -0.535 176.045 176.600 -0.034 0.000 0.987 498 K CA -0.697 55.575 56.287 -0.025 0.000 0.868 498 K CB 0.913 33.400 32.500 -0.022 0.000 1.421 498 K HN -0.105 nan 8.250 nan 0.000 0.444 499 V N 0.752 120.649 119.914 -0.027 0.000 3.209 499 V HA -0.027 4.092 4.120 -0.001 0.000 0.305 499 V C -0.675 175.435 176.094 0.027 0.000 1.127 499 V CA 0.732 63.031 62.300 -0.002 0.000 1.235 499 V CB 0.284 32.124 31.823 0.028 0.000 0.987 499 V HN 0.784 nan 8.190 nan 0.000 0.499 500 Q N 4.183 124.021 119.800 0.064 0.000 2.275 500 Q HA 0.583 4.923 4.340 -0.001 0.000 0.266 500 Q C -1.533 174.528 176.000 0.100 0.000 1.002 500 Q CA -0.232 55.615 55.803 0.073 0.000 0.761 500 Q CB 2.030 30.790 28.738 0.038 0.000 1.255 500 Q HN 0.590 nan 8.270 nan 0.000 0.446 501 I N 1.734 122.358 120.570 0.091 0.000 2.493 501 I HA 0.334 4.504 4.170 -0.001 0.000 0.298 501 I C -0.228 175.875 176.117 -0.022 0.000 0.998 501 I CA -0.761 60.593 61.300 0.091 0.000 1.137 501 I CB 1.644 39.708 38.000 0.107 0.000 1.310 501 I HN 0.497 nan 8.210 nan 0.000 0.445 502 N N 3.288 121.925 118.700 -0.105 0.000 2.518 502 N HA 0.295 5.035 4.740 -0.001 0.000 0.283 502 N C -1.409 174.144 175.510 0.072 0.000 1.119 502 N CA -0.048 52.616 53.050 -0.642 0.000 0.983 502 N CB 0.651 37.924 38.487 -2.024 0.000 1.139 502 N HN 0.370 nan 8.380 nan 0.000 0.465 503 D N 1.340 121.801 120.400 0.102 0.000 2.646 503 D HA 0.320 4.959 4.640 -0.001 0.000 0.245 503 D C -0.355 176.122 176.300 0.295 0.000 1.099 503 D CA -0.434 53.696 54.000 0.217 0.000 0.849 503 D CB 1.265 42.172 40.800 0.179 0.000 1.448 503 D HN 0.273 nan 8.370 nan 0.000 0.489 504 K N 1.244 121.797 120.400 0.255 0.000 2.168 504 K HA 0.213 4.532 4.320 -0.001 0.000 0.258 504 K C 0.038 176.742 176.600 0.173 0.000 1.010 504 K CA -0.498 55.913 56.287 0.206 0.000 0.929 504 K CB 0.787 33.366 32.500 0.132 0.000 0.998 504 K HN 0.378 nan 8.250 nan 0.000 0.479 505 D N 1.942 122.415 120.400 0.123 0.000 2.419 505 D HA -0.027 4.612 4.640 -0.001 0.000 0.236 505 D C 0.003 176.206 176.300 -0.162 0.000 1.165 505 D CA 0.762 54.772 54.000 0.018 0.000 0.882 505 D CB 0.556 41.374 40.800 0.029 0.000 1.201 505 D HN 0.458 nan 8.370 nan 0.000 0.443 506 D N -1.164 118.987 120.400 -0.415 0.000 2.879 506 D HA 0.096 4.735 4.640 -0.001 0.000 0.236 506 D C 0.321 176.406 176.300 -0.359 0.000 1.171 506 D CA -0.608 53.105 54.000 -0.477 0.000 0.868 506 D CB 1.086 41.356 40.800 -0.885 0.000 1.598 506 D HN 0.043 nan 8.370 nan 0.000 0.497 507 T N 0.481 114.906 114.554 -0.215 0.000 2.918 507 T HA -0.170 4.180 4.350 -0.001 0.000 0.271 507 T C 1.228 175.837 174.700 -0.151 0.000 1.104 507 T CA 0.868 62.882 62.100 -0.144 0.000 1.114 507 T CB -0.448 68.363 68.868 -0.094 0.000 0.855 507 T HN 0.502 nan 8.240 nan 0.000 0.518 508 N N 1.698 120.264 118.700 -0.224 0.000 2.654 508 N HA -0.125 4.615 4.740 -0.001 0.000 0.204 508 N C 1.024 176.475 175.510 -0.099 0.000 1.446 508 N CA 1.092 54.048 53.050 -0.157 0.000 0.895 508 N CB -0.238 38.151 38.487 -0.164 0.000 1.132 508 N HN 0.660 nan 8.380 nan 0.000 0.462 509 E N -1.892 118.245 120.200 -0.105 0.000 3.912 509 E HA -0.302 4.047 4.350 -0.001 0.000 0.335 509 E C -0.434 176.162 176.600 -0.008 0.000 0.654 509 E CA 1.773 58.143 56.400 -0.051 0.000 1.177 509 E CB -2.667 27.023 29.700 -0.017 0.000 1.650 509 E HN 0.554 nan 8.360 nan 0.000 0.430 510 Y N 1.712 121.972 120.300 -0.066 0.000 2.350 510 Y HA 0.675 5.225 4.550 -0.001 0.000 0.340 510 Y C -0.113 175.743 175.900 -0.072 0.000 1.006 510 Y CA -0.903 57.150 58.100 -0.079 0.000 1.166 510 Y CB 0.978 39.388 38.460 -0.084 0.000 1.168 510 Y HN 0.182 nan 8.280 nan 0.000 0.502 511 K N 1.738 122.204 120.400 0.110 0.000 2.443 511 K HA 0.477 4.797 4.320 -0.001 0.000 0.251 511 K C -1.079 175.567 176.600 0.076 0.000 0.972 511 K CA -0.966 55.325 56.287 0.007 0.000 0.833 511 K CB 0.828 33.160 32.500 -0.279 0.000 1.317 511 K HN 0.829 nan 8.250 nan 0.000 0.441 512 H N -0.827 118.355 119.070 0.187 0.000 2.819 512 H HA -0.092 4.463 4.556 -0.001 0.000 0.323 512 H C -0.794 174.635 175.328 0.168 0.000 1.243 512 H CA 0.185 56.350 56.048 0.195 0.000 1.163 512 H CB -1.365 28.497 29.762 0.168 0.000 1.493 512 H HN 0.803 nan 8.280 nan 0.000 0.434 513 A N 1.001 123.979 122.820 0.263 0.000 2.350 513 A HA 0.871 5.191 4.320 -0.001 0.000 0.318 513 A C -0.394 177.218 177.584 0.047 0.000 1.132 513 A CA -0.389 51.654 52.037 0.011 0.000 0.811 513 A CB 1.623 20.537 19.000 -0.143 0.000 1.313 513 A HN 0.375 nan 8.150 nan 0.000 0.454 514 F N -1.511 118.399 119.950 -0.067 0.000 2.668 514 F HA 0.751 5.277 4.527 -0.001 0.000 0.309 514 F C -0.853 174.903 175.800 -0.073 0.000 1.117 514 F CA -0.808 57.111 58.000 -0.135 0.000 0.951 514 F CB 1.417 40.297 39.000 -0.200 0.000 1.323 514 F HN 0.648 nan 8.300 nan 0.000 0.451 515 E N 2.395 122.682 120.200 0.145 0.000 2.171 515 E HA 0.605 4.954 4.350 -0.001 0.000 0.271 515 E C -1.507 175.206 176.600 0.187 0.000 0.916 515 E CA -0.739 55.718 56.400 0.096 0.000 0.774 515 E CB 1.620 31.339 29.700 0.031 0.000 1.128 515 E HN 0.735 nan 8.360 nan 0.000 0.403 516 I N 5.684 126.362 120.570 0.181 0.000 2.359 516 I HA 0.324 4.494 4.170 -0.001 0.000 0.294 516 I C -0.248 175.878 176.117 0.014 0.000 0.987 516 I CA -0.765 60.611 61.300 0.127 0.000 1.225 516 I CB 1.337 39.436 38.000 0.164 0.000 1.366 516 I HN 0.475 nan 8.210 nan 0.000 0.466 517 I N 6.855 127.420 120.570 -0.009 0.000 2.382 517 I HA 0.307 4.476 4.170 -0.001 0.000 0.285 517 I C -0.434 175.639 176.117 -0.073 0.000 1.007 517 I CA -0.592 60.684 61.300 -0.040 0.000 1.142 517 I CB 1.223 39.220 38.000 -0.006 0.000 1.289 517 I HN 0.254 nan 8.210 nan 0.000 0.453 518 L N 5.239 126.388 121.223 -0.123 0.000 2.387 518 L HA 0.379 4.718 4.340 -0.001 0.000 0.266 518 L C 0.156 176.983 176.870 -0.072 0.000 1.059 518 L CA -0.991 53.776 54.840 -0.122 0.000 0.801 518 L CB 1.418 43.347 42.059 -0.216 0.000 1.223 518 L HN 0.561 nan 8.230 nan 0.000 0.456 519 K N -0.119 120.249 120.400 -0.053 0.000 2.412 519 K HA 0.141 4.461 4.320 -0.001 0.000 0.284 519 K C 0.317 176.892 176.600 -0.042 0.000 1.046 519 K CA 0.315 56.577 56.287 -0.043 0.000 0.999 519 K CB -0.279 32.195 32.500 -0.043 0.000 0.941 519 K HN 0.646 nan 8.250 nan 0.000 0.474 520 D N -0.493 119.887 120.400 -0.034 0.000 3.059 520 D HA -0.309 4.331 4.640 -0.001 0.000 0.222 520 D C -0.959 175.324 176.300 -0.028 0.000 1.185 520 D CA 1.869 55.852 54.000 -0.028 0.000 0.904 520 D CB -1.342 39.441 40.800 -0.028 0.000 1.122 520 D HN 0.828 nan 8.370 nan 0.000 0.410 521 E N -0.087 120.090 120.200 -0.039 0.000 2.259 521 E HA 0.362 4.711 4.350 -0.001 0.000 0.257 521 E C 0.244 176.816 176.600 -0.046 0.000 0.998 521 E CA -0.993 55.382 56.400 -0.041 0.000 0.866 521 E CB 0.597 30.259 29.700 -0.062 0.000 1.220 521 E HN 0.396 nan 8.360 nan 0.000 0.415 522 N N 0.189 118.866 118.700 -0.039 0.000 2.518 522 N HA 0.030 4.769 4.740 -0.001 0.000 0.283 522 N C -0.368 175.107 175.510 -0.057 0.000 1.119 522 N CA -0.354 52.674 53.050 -0.036 0.000 0.983 522 N CB 1.086 39.560 38.487 -0.021 0.000 1.139 522 N HN 0.413 nan 8.380 nan 0.000 0.465 523 S N 0.606 116.277 115.700 -0.049 0.000 2.573 523 S HA 0.271 4.740 4.470 -0.001 0.000 0.277 523 S C 0.159 174.727 174.600 -0.053 0.000 1.346 523 S CA -0.641 57.528 58.200 -0.052 0.000 1.034 523 S CB 0.485 63.667 63.200 -0.030 0.000 0.879 523 S HN 0.456 nan 8.310 nan 0.000 0.528 524 V N 2.687 122.580 119.914 -0.035 0.000 2.709 524 V HA 0.497 4.617 4.120 -0.001 0.000 0.308 524 V C -0.314 175.742 176.094 -0.063 0.000 1.062 524 V CA -0.753 61.523 62.300 -0.039 0.000 0.901 524 V CB 1.609 33.510 31.823 0.129 0.000 1.003 524 V HN 0.912 nan 8.190 nan 0.000 0.425 525 I N 4.144 124.546 120.570 -0.280 0.000 2.404 525 I HA 0.541 4.710 4.170 -0.001 0.000 0.293 525 I C -1.033 174.703 176.117 -0.634 0.000 0.992 525 I CA -0.233 60.840 61.300 -0.379 0.000 1.149 525 I CB 1.634 39.352 38.000 -0.470 0.000 1.315 525 I HN 0.411 nan 8.210 nan 0.000 0.446 526 F N 3.149 122.661 119.950 -0.729 0.000 2.523 526 F HA 0.565 5.091 4.527 -0.001 0.000 0.329 526 F C 0.448 175.797 175.800 -0.752 0.000 1.061 526 F CA -0.691 56.859 58.000 -0.749 0.000 0.967 526 F CB 2.001 40.478 39.000 -0.870 0.000 1.218 526 F HN 0.258 nan 8.300 nan 0.000 0.480 527 S N 0.853 116.382 115.700 -0.285 0.000 2.557 527 S HA 0.860 5.329 4.470 -0.001 0.000 0.291 527 S C -0.906 173.670 174.600 -0.040 0.000 1.116 527 S CA -0.451 57.658 58.200 -0.151 0.000 0.992 527 S CB 0.981 64.121 63.200 -0.101 0.000 1.028 527 S HN 0.892 nan 8.310 nan 0.000 0.484 528 A N 3.577 126.447 122.820 0.083 0.000 2.269 528 A HA 0.693 5.013 4.320 -0.001 0.000 0.327 528 A C 0.609 178.313 177.584 0.199 0.000 1.112 528 A CA -0.530 51.595 52.037 0.147 0.000 0.865 528 A CB 0.500 19.649 19.000 0.249 0.000 1.227 528 A HN 0.844 nan 8.150 nan 0.000 0.498 529 K N 0.154 120.670 120.400 0.193 0.000 2.148 529 K HA 0.001 4.320 4.320 -0.001 0.000 0.204 529 K C 0.748 177.522 176.600 0.289 0.000 1.050 529 K CA 1.675 58.075 56.287 0.187 0.000 0.942 529 K CB -0.133 32.456 32.500 0.150 0.000 0.724 529 K HN 0.808 nan 8.250 nan 0.000 0.446 530 S N -2.772 113.132 115.700 0.341 0.000 2.705 530 S HA 0.666 5.136 4.470 -0.001 0.000 0.280 530 S C 0.664 175.216 174.600 -0.080 0.000 1.174 530 S CA -0.493 57.891 58.200 0.307 0.000 0.823 530 S CB 1.340 64.631 63.200 0.152 0.000 1.162 530 S HN -0.065 nan 8.310 nan 0.000 0.487 531 A N 0.199 122.719 122.820 -0.499 0.000 1.968 531 A HA 0.062 4.381 4.320 -0.001 0.000 0.217 531 A C 1.934 179.470 177.584 -0.080 0.000 1.169 531 A CA 1.495 53.260 52.037 -0.452 0.000 0.638 531 A CB -1.007 17.794 19.000 -0.333 0.000 0.812 531 A HN 0.930 nan 8.150 nan 0.000 0.446 532 E N -0.081 120.104 120.200 -0.025 0.000 2.072 532 E HA -0.207 4.142 4.350 -0.001 0.000 0.191 532 E C 1.656 178.288 176.600 0.053 0.000 0.985 532 E CA 1.218 57.626 56.400 0.014 0.000 0.801 532 E CB -0.073 29.640 29.700 0.022 0.000 0.750 532 E HN 0.549 nan 8.360 nan 0.000 0.452 533 E N 0.911 121.178 120.200 0.111 0.000 2.047 533 E HA -0.198 4.151 4.350 -0.001 0.000 0.191 533 E C 1.994 178.795 176.600 0.334 0.000 0.987 533 E CA 0.902 57.433 56.400 0.219 0.000 0.799 533 E CB -0.294 29.570 29.700 0.274 0.000 0.752 533 E HN 0.269 nan 8.360 nan 0.000 0.449 534 K N 0.848 121.416 120.400 0.279 0.000 2.103 534 K HA -0.148 4.172 4.320 -0.001 0.000 0.207 534 K C 1.728 178.470 176.600 0.238 0.000 1.048 534 K CA 1.237 57.726 56.287 0.336 0.000 0.930 534 K CB 0.065 32.746 32.500 0.301 0.000 0.716 534 K HN -0.029 nan 8.250 nan 0.000 0.444 535 N N 1.356 120.133 118.700 0.129 0.000 2.120 535 N HA -0.146 4.594 4.740 -0.001 0.000 0.188 535 N C 1.431 176.930 175.510 -0.017 0.000 1.024 535 N CA 1.175 54.247 53.050 0.036 0.000 0.852 535 N CB -0.581 37.865 38.487 -0.068 0.000 1.003 535 N HN 0.306 nan 8.380 nan 0.000 0.424 536 N N 0.204 118.880 118.700 -0.041 0.000 2.120 536 N HA -0.146 4.593 4.740 -0.001 0.000 0.188 536 N C 1.740 177.088 175.510 -0.271 0.000 1.024 536 N CA 0.891 53.834 53.050 -0.178 0.000 0.852 536 N CB -0.430 37.907 38.487 -0.249 0.000 1.003 536 N HN 0.399 nan 8.380 nan 0.000 0.424 537 W N 1.274 122.501 121.300 -0.122 0.000 2.381 537 W HA 0.079 4.739 4.660 -0.001 0.000 0.301 537 W C 2.446 178.769 176.519 -0.326 0.000 1.205 537 W CA 0.344 57.555 57.345 -0.225 0.000 1.285 537 W CB -0.274 29.055 29.460 -0.217 0.000 1.133 537 W HN -0.022 nan 8.180 nan 0.000 0.521 538 M N -0.039 119.513 119.600 -0.080 0.000 2.159 538 M HA -0.092 4.388 4.480 -0.001 0.000 0.263 538 M C 2.196 178.464 176.300 -0.053 0.000 1.063 538 M CA 1.736 56.968 55.300 -0.114 0.000 1.110 538 M CB -1.969 30.658 32.600 0.046 0.000 1.374 538 M HN 0.102 nan 8.290 nan 0.000 0.411 539 A N 0.462 123.243 122.820 -0.066 0.000 1.865 539 A HA -0.053 4.266 4.320 -0.001 0.000 0.217 539 A C 2.444 179.971 177.584 -0.095 0.000 1.191 539 A CA 2.406 54.397 52.037 -0.078 0.000 0.623 539 A CB -0.993 17.945 19.000 -0.104 0.000 0.826 539 A HN 0.472 nan 8.150 nan 0.000 0.444 540 A N -0.569 122.157 122.820 -0.157 0.000 1.898 540 A HA 0.047 4.367 4.320 -0.001 0.000 0.216 540 A C 2.195 179.714 177.584 -0.108 0.000 1.181 540 A CA 1.408 53.340 52.037 -0.176 0.000 0.620 540 A CB -0.572 18.245 19.000 -0.306 0.000 0.819 540 A HN 0.461 nan 8.150 nan 0.000 0.442 541 L N -0.320 120.844 121.223 -0.097 0.000 2.056 541 L HA -0.137 4.202 4.340 -0.001 0.000 0.207 541 L C 2.331 179.197 176.870 -0.008 0.000 1.078 541 L CA 0.691 55.493 54.840 -0.064 0.000 0.749 541 L CB -0.449 41.524 42.059 -0.144 0.000 0.901 541 L HN 0.294 nan 8.230 nan 0.000 0.433 542 I N -0.542 120.042 120.570 0.022 0.000 2.315 542 I HA -0.194 3.976 4.170 -0.001 0.000 0.248 542 I C 2.611 178.834 176.117 0.177 0.000 1.117 542 I CA 1.217 62.603 61.300 0.142 0.000 1.404 542 I CB -1.010 37.080 38.000 0.150 0.000 1.071 542 I HN 0.165 nan 8.210 nan 0.000 0.419 543 S N 0.905 116.651 115.700 0.077 0.000 2.383 543 S HA -0.083 4.386 4.470 -0.001 0.000 0.227 543 S C 1.992 176.634 174.600 0.070 0.000 1.026 543 S CA 0.726 58.969 58.200 0.073 0.000 0.981 543 S CB -0.227 62.974 63.200 0.002 0.000 0.818 543 S HN 0.317 nan 8.310 nan 0.000 0.472 544 L N 1.911 123.151 121.223 0.029 0.000 2.056 544 L HA -0.068 4.271 4.340 -0.001 0.000 0.207 544 L C 2.450 179.323 176.870 0.005 0.000 1.078 544 L CA 1.785 56.632 54.840 0.013 0.000 0.749 544 L CB -1.255 40.804 42.059 -0.001 0.000 0.901 544 L HN 0.405 nan 8.230 nan 0.000 0.433 545 Q N -1.054 118.741 119.800 -0.009 0.000 2.124 545 Q HA -0.229 4.111 4.340 -0.001 0.000 0.202 545 Q C 0.591 176.402 176.000 -0.315 0.000 0.977 545 Q CA 1.681 57.389 55.803 -0.159 0.000 0.850 545 Q CB -0.033 28.589 28.738 -0.194 0.000 0.901 545 Q HN 0.549 nan 8.270 nan 0.000 0.429 546 Y N -0.364 119.983 120.300 0.078 0.000 2.756 546 Y HA 0.245 4.795 4.550 -0.001 0.000 0.300 546 Y C 1.318 177.264 175.900 0.078 0.000 1.113 546 Y CA -0.486 57.672 58.100 0.097 0.000 1.291 546 Y CB 0.336 38.892 38.460 0.160 0.000 1.175 546 Y HN 0.026 nan 8.280 nan 0.000 0.534 547 R N 0.080 120.650 120.500 0.116 0.000 2.139 547 R HA -0.150 4.190 4.340 -0.001 0.000 0.243 547 R C 1.577 177.929 176.300 0.087 0.000 1.145 547 R CA 1.627 57.778 56.100 0.085 0.000 0.976 547 R CB -0.235 30.091 30.300 0.043 0.000 0.866 547 R HN 0.297 nan 8.270 nan 0.000 0.449 548 S N -0.486 115.267 115.700 0.088 0.000 2.399 548 S HA -0.087 4.382 4.470 -0.001 0.000 0.231 548 S C 1.754 176.413 174.600 0.098 0.000 1.022 548 S CA 1.806 60.053 58.200 0.079 0.000 0.983 548 S CB -0.066 63.175 63.200 0.067 0.000 0.803 548 S HN 0.460 nan 8.310 nan 0.000 0.480 549 T N 1.973 116.617 114.554 0.149 0.000 2.939 549 T HA 0.251 4.601 4.350 -0.001 0.000 0.254 549 T C 0.841 175.615 174.700 0.124 0.000 1.041 549 T CA 0.469 62.656 62.100 0.146 0.000 1.142 549 T CB -0.064 68.930 68.868 0.210 0.000 0.874 549 T HN 0.173 nan 8.240 nan 0.000 0.452 569 L N 2.467 123.631 121.223 -0.099 0.000 2.514 569 L HA 0.385 4.724 4.340 -0.001 0.000 0.257 569 L C -2.236 174.530 176.870 -0.173 0.000 1.101 569 L CA -1.283 53.497 54.840 -0.100 0.000 0.911 569 L CB 0.642 42.675 42.059 -0.044 0.000 1.162 569 L HN 0.524 nan 8.230 nan 0.000 0.477 570 P HA 0.289 nan 4.420 nan 0.000 0.286 570 P C 0.343 177.566 177.300 -0.129 0.000 1.293 570 P CA -0.254 62.677 63.100 -0.282 0.000 0.770 570 P CB 0.978 32.480 31.700 -0.329 0.000 1.206 571 S N -0.695 114.958 115.700 -0.079 0.000 2.612 571 S HA 0.189 4.658 4.470 -0.001 0.000 0.253 571 S C 1.545 176.152 174.600 0.012 0.000 1.346 571 S CA 0.117 58.311 58.200 -0.011 0.000 0.976 571 S CB -0.246 62.989 63.200 0.059 0.000 0.949 571 S HN 0.610 nan 8.310 nan 0.000 0.584 572 A N -0.004 122.831 122.820 0.026 0.000 2.264 572 A HA 0.104 4.424 4.320 -0.001 0.000 0.207 572 A C 1.125 178.744 177.584 0.059 0.000 1.196 572 A CA 1.336 53.392 52.037 0.031 0.000 0.778 572 A CB -1.135 17.874 19.000 0.015 0.000 0.779 572 A HN 1.008 nan 8.150 nan 0.000 0.483 573 D N -3.331 117.118 120.400 0.082 0.000 2.304 573 D HA -0.195 4.444 4.640 -0.001 0.000 0.162 573 D C 0.611 176.964 176.300 0.088 0.000 1.458 573 D CA 1.788 55.836 54.000 0.079 0.000 1.334 573 D CB -1.438 39.392 40.800 0.050 0.000 1.250 573 D HN 0.314 nan 8.370 nan 0.000 0.458 574 V N -0.178 119.806 119.914 0.116 0.000 3.620 574 V HA 0.159 4.278 4.120 -0.001 0.000 0.286 574 V C 0.584 176.834 176.094 0.261 0.000 1.288 574 V CA 0.860 63.243 62.300 0.138 0.000 1.178 574 V CB -0.381 31.518 31.823 0.127 0.000 0.986 574 V HN 0.407 nan 8.190 nan 0.000 0.431 575 Y N -0.426 119.895 120.300 0.035 0.000 2.954 575 Y HA 0.468 5.018 4.550 -0.001 0.000 0.267 575 Y C 0.762 176.719 175.900 0.095 0.000 1.093 575 Y CA -0.474 57.660 58.100 0.056 0.000 1.257 575 Y CB 0.411 38.900 38.460 0.048 0.000 1.317 575 Y HN 0.058 nan 8.280 nan 0.000 0.587 576 R N -1.787 118.819 120.500 0.176 0.000 3.034 576 R HA 0.294 4.633 4.340 -0.001 0.000 0.264 576 R C -0.930 175.489 176.300 0.198 0.000 1.030 576 R CA -0.485 55.763 56.100 0.246 0.000 0.903 576 R CB -0.106 30.345 30.300 0.252 0.000 1.414 576 R HN -0.017 nan 8.270 nan 0.000 0.429 577 F N 0.732 120.736 119.950 0.089 0.000 2.641 577 F HA 0.291 4.818 4.527 -0.001 0.000 0.302 577 F C 1.704 177.564 175.800 0.099 0.000 1.098 577 F CA 0.295 58.349 58.000 0.090 0.000 1.318 577 F CB 0.046 39.113 39.000 0.112 0.000 1.035 577 F HN 0.655 nan 8.300 nan 0.000 0.551 578 A N -0.373 122.591 122.820 0.240 0.000 2.131 578 A HA -0.200 4.119 4.320 -0.001 0.000 0.220 578 A C 1.269 178.920 177.584 0.112 0.000 1.158 578 A CA 0.463 52.589 52.037 0.149 0.000 0.665 578 A CB -0.787 18.267 19.000 0.090 0.000 0.795 578 A HN 0.411 nan 8.150 nan 0.000 0.460 579 E N 1.486 121.744 120.200 0.097 0.000 2.585 579 E HA 0.043 4.393 4.350 -0.001 0.000 0.252 579 E C -2.147 174.504 176.600 0.086 0.000 0.981 579 E CA -1.480 54.961 56.400 0.067 0.000 0.943 579 E CB 0.588 30.311 29.700 0.038 0.000 0.923 579 E HN 0.312 nan 8.360 nan 0.000 0.486 580 P HA 0.064 nan 4.420 nan 0.000 0.274 580 P C -0.850 176.497 177.300 0.078 0.000 1.231 580 P CA -0.401 62.750 63.100 0.085 0.000 0.790 580 P CB 0.667 32.407 31.700 0.068 0.000 0.951 581 D N 0.644 121.102 120.400 0.096 0.000 2.525 581 D HA 0.180 4.819 4.640 -0.001 0.000 0.235 581 D C 0.855 177.198 176.300 0.071 0.000 1.137 581 D CA 0.960 55.012 54.000 0.088 0.000 0.868 581 D CB 0.225 41.105 40.800 0.134 0.000 1.180 581 D HN 0.442 nan 8.370 nan 0.000 0.465 582 S N 0.423 116.153 115.700 0.050 0.000 2.790 582 S HA 0.308 4.778 4.470 -0.001 0.000 0.292 582 S C 0.434 175.053 174.600 0.032 0.000 1.197 582 S CA -0.847 57.379 58.200 0.043 0.000 0.851 582 S CB 1.256 64.474 63.200 0.030 0.000 1.217 582 S HN 0.350 nan 8.310 nan 0.000 0.526 583 E N 0.322 120.544 120.200 0.037 0.000 2.481 583 E HA 0.045 4.395 4.350 -0.001 0.000 0.195 583 E C 0.572 177.182 176.600 0.016 0.000 1.047 583 E CA 0.503 56.926 56.400 0.039 0.000 0.867 583 E CB -0.029 29.721 29.700 0.084 0.000 0.858 583 E HN 0.630 nan 8.360 nan 0.000 0.513 584 E N 0.087 120.292 120.200 0.010 0.000 2.476 584 E HA 0.086 4.436 4.350 -0.001 0.000 0.196 584 E C 0.872 177.461 176.600 -0.018 0.000 1.029 584 E CA -0.134 56.265 56.400 -0.001 0.000 0.896 584 E CB 0.390 30.093 29.700 0.005 0.000 1.012 584 E HN 0.145 nan 8.360 nan 0.000 0.475 585 N N -0.035 118.648 118.700 -0.029 0.000 2.820 585 N HA 0.230 4.969 4.740 -0.001 0.000 0.236 585 N C 0.340 175.787 175.510 -0.105 0.000 1.023 585 N CA 0.553 53.575 53.050 -0.046 0.000 1.062 585 N CB 1.465 39.940 38.487 -0.020 0.000 1.582 585 N HN -0.026 nan 8.380 nan 0.000 0.485 586 I N 1.158 121.636 120.570 -0.154 0.000 2.865 586 I HA 0.436 4.606 4.170 -0.001 0.000 0.302 586 I C -1.167 174.724 176.117 -0.377 0.000 1.140 586 I CA -0.615 60.482 61.300 -0.338 0.000 1.021 586 I CB 3.088 40.781 38.000 -0.512 0.000 1.233 586 I HN -0.138 nan 8.210 nan 0.000 0.427 587 I N 3.774 124.050 120.570 -0.491 0.000 2.582 587 I HA 0.424 4.594 4.170 -0.001 0.000 0.292 587 I C -1.159 174.656 176.117 -0.502 0.000 1.066 587 I CA -0.440 60.663 61.300 -0.327 0.000 1.053 587 I CB 2.108 40.022 38.000 -0.144 0.000 1.241 587 I HN 0.264 nan 8.210 nan 0.000 0.421 588 F N 2.318 122.245 119.950 -0.038 0.000 2.483 588 F HA 0.440 4.966 4.527 -0.001 0.000 0.329 588 F C 0.585 176.379 175.800 -0.011 0.000 1.064 588 F CA -0.834 57.138 58.000 -0.047 0.000 0.986 588 F CB 0.974 39.938 39.000 -0.061 0.000 1.218 588 F HN 0.340 nan 8.300 nan 0.000 0.484 589 E N 1.602 121.922 120.200 0.200 0.000 2.344 589 E HA 0.120 4.469 4.350 -0.001 0.000 0.270 589 E C -0.389 176.276 176.600 0.109 0.000 1.021 589 E CA -0.047 56.430 56.400 0.130 0.000 0.887 589 E CB 0.411 30.189 29.700 0.129 0.000 0.997 589 E HN 0.316 nan 8.360 nan 0.000 0.429 598 I N 3.016 123.428 120.570 -0.264 0.000 2.588 598 I HA 0.276 4.445 4.170 -0.001 0.000 0.283 598 I C -1.965 174.004 176.117 -0.246 0.000 1.119 598 I CA -1.465 59.588 61.300 -0.411 0.000 1.419 598 I CB 0.763 38.520 38.000 -0.404 0.000 1.394 598 I HN -0.071 nan 8.210 nan 0.000 0.562 599 P HA 0.267 nan 4.420 nan 0.000 0.271 599 P C -0.573 176.692 177.300 -0.058 0.000 1.220 599 P CA -0.098 62.869 63.100 -0.221 0.000 0.768 599 P CB 0.439 31.818 31.700 -0.535 0.000 0.848 600 I N 4.104 124.696 120.570 0.038 0.000 2.352 600 I HA 0.200 4.369 4.170 -0.001 0.000 0.290 600 I C 0.695 176.892 176.117 0.135 0.000 1.036 600 I CA -0.505 60.837 61.300 0.070 0.000 1.336 600 I CB 0.398 38.468 38.000 0.117 0.000 1.407 600 I HN 0.179 nan 8.210 nan 0.000 0.497 601 I N 6.813 127.267 120.570 -0.194 0.000 2.529 601 I HA 0.057 4.226 4.170 -0.001 0.000 0.284 601 I C 1.211 177.269 176.117 -0.099 0.000 1.082 601 I CA 0.183 61.220 61.300 -0.439 0.000 1.406 601 I CB 0.972 38.366 38.000 -1.009 0.000 1.405 601 I HN 0.697 nan 8.210 nan 0.000 0.548 602 K N 4.545 124.907 120.400 -0.065 0.000 2.240 602 K HA 0.398 4.717 4.320 -0.001 0.000 0.202 602 K C 0.269 176.948 176.600 0.131 0.000 1.053 602 K CA 0.438 56.802 56.287 0.129 0.000 0.973 602 K CB 0.569 33.087 32.500 0.029 0.000 0.924 602 K HN 0.792 nan 8.250 nan 0.000 0.477 603 A N -0.486 122.297 122.820 -0.061 0.000 2.599 603 A HA 0.692 5.012 4.320 -0.001 0.000 0.290 603 A C -1.018 176.464 177.584 -0.170 0.000 1.101 603 A CA -0.350 51.649 52.037 -0.065 0.000 0.674 603 A CB 1.516 20.483 19.000 -0.055 0.000 1.277 603 A HN 0.329 nan 8.150 nan 0.000 0.419 604 G N -0.871 107.849 108.800 -0.133 0.000 2.340 604 G HA2 0.567 4.527 3.960 -0.001 0.000 0.298 604 G HA3 0.567 4.527 3.960 -0.001 0.000 0.298 604 G C -0.655 174.189 174.900 -0.093 0.000 1.498 604 G CA 0.080 45.098 45.100 -0.136 0.000 0.847 604 G HN 1.036 nan 8.290 nan 0.000 0.594 605 T N 0.408 114.924 114.554 -0.062 0.000 2.903 605 T HA 0.192 4.542 4.350 -0.001 0.000 0.314 605 T C 1.791 176.497 174.700 0.010 0.000 1.078 605 T CA 0.448 62.530 62.100 -0.030 0.000 1.114 605 T CB 1.779 70.632 68.868 -0.025 0.000 0.987 605 T HN 1.117 nan 8.240 nan 0.000 0.548 606 V N 3.220 123.164 119.914 0.050 0.000 2.469 606 V HA -0.144 3.975 4.120 -0.001 0.000 0.251 606 V C 2.053 178.238 176.094 0.152 0.000 1.064 606 V CA 1.575 63.968 62.300 0.154 0.000 1.066 606 V CB -0.644 31.303 31.823 0.206 0.000 0.667 606 V HN 0.741 nan 8.190 nan 0.000 0.461 607 I N -0.058 120.550 120.570 0.062 0.000 2.113 607 I HA -0.174 3.995 4.170 -0.001 0.000 0.238 607 I C 2.468 178.687 176.117 0.170 0.000 1.070 607 I CA 1.801 63.114 61.300 0.022 0.000 1.332 607 I CB -1.250 36.652 38.000 -0.162 0.000 1.044 607 I HN 0.287 nan 8.210 nan 0.000 0.402 608 K N 0.452 120.904 120.400 0.088 0.000 2.211 608 K HA -0.116 4.203 4.320 -0.001 0.000 0.203 608 K C 1.873 178.504 176.600 0.052 0.000 1.050 608 K CA 0.739 57.070 56.287 0.075 0.000 0.945 608 K CB -0.424 32.072 32.500 -0.007 0.000 0.732 608 K HN 0.044 nan 8.250 nan 0.000 0.451 609 L N 0.371 121.642 121.223 0.080 0.000 2.027 609 L HA -0.018 4.322 4.340 -0.001 0.000 0.206 609 L C 1.835 178.779 176.870 0.124 0.000 1.074 609 L CA 1.551 56.474 54.840 0.139 0.000 0.745 609 L CB -0.336 41.870 42.059 0.245 0.000 0.898 609 L HN 0.164 nan 8.230 nan 0.000 0.433 610 I N -0.938 119.689 120.570 0.095 0.000 2.493 610 I HA -0.246 3.924 4.170 -0.001 0.000 0.254 610 I C 2.428 178.556 176.117 0.018 0.000 1.160 610 I CA 0.888 62.173 61.300 -0.024 0.000 1.445 610 I CB -0.146 37.920 38.000 0.111 0.000 1.086 610 I HN 0.428 nan 8.210 nan 0.000 0.433 611 E N 1.119 121.396 120.200 0.129 0.000 2.028 611 E HA -0.216 4.133 4.350 -0.001 0.000 0.191 611 E C 2.177 178.808 176.600 0.051 0.000 0.988 611 E CA 0.905 57.366 56.400 0.102 0.000 0.799 611 E CB 0.124 29.956 29.700 0.220 0.000 0.755 611 E HN 0.241 nan 8.360 nan 0.000 0.447 612 R N 0.376 120.860 120.500 -0.027 0.000 2.237 612 R HA -0.075 4.265 4.340 -0.001 0.000 0.219 612 R C 2.227 178.616 176.300 0.147 0.000 1.080 612 R CA 0.334 56.350 56.100 -0.140 0.000 0.995 612 R CB -0.524 29.584 30.300 -0.320 0.000 0.875 612 R HN 0.279 nan 8.270 nan 0.000 0.462 613 L N 0.014 121.360 121.223 0.205 0.000 2.418 613 L HA 0.039 4.379 4.340 -0.001 0.000 0.218 613 L C 0.410 177.294 176.870 0.023 0.000 1.125 613 L CA 1.457 56.352 54.840 0.090 0.000 0.835 613 L CB 0.391 42.200 42.059 -0.416 0.000 0.953 613 L HN -0.094 nan 8.230 nan 0.000 0.454 614 T N -0.643 113.927 114.554 0.027 0.000 3.633 614 T HA 0.156 4.506 4.350 -0.001 0.000 0.278 614 T C -0.801 173.919 174.700 0.034 0.000 0.991 614 T CA -0.379 61.728 62.100 0.010 0.000 1.036 614 T CB -0.358 68.476 68.868 -0.056 0.000 1.148 614 T HN -0.091 nan 8.240 nan 0.000 0.501 615 Y N 4.032 124.255 120.300 -0.129 0.000 2.511 615 Y HA 0.077 4.627 4.550 -0.001 0.000 0.332 615 Y C 1.956 177.664 175.900 -0.321 0.000 1.177 615 Y CA -0.950 56.988 58.100 -0.270 0.000 1.422 615 Y CB 0.561 38.752 38.460 -0.447 0.000 1.271 615 Y HN 0.456 nan 8.280 nan 0.000 0.550 616 H N 3.243 121.941 119.070 -0.620 0.000 2.428 616 H HA -0.090 4.465 4.556 -0.001 0.000 0.296 616 H C 1.385 176.361 175.328 -0.586 0.000 1.062 616 H CA 1.362 57.050 56.048 -0.600 0.000 1.350 616 H CB 0.138 29.490 29.762 -0.684 0.000 1.403 616 H HN 0.572 nan 8.280 nan 0.000 0.533 617 M N 1.143 119.821 119.600 -1.536 0.000 2.067 617 M HA -0.037 4.442 4.480 -0.001 0.000 0.260 617 M C 0.458 176.493 176.300 -0.441 0.000 1.069 617 M CA 1.303 56.015 55.300 -0.981 0.000 1.117 617 M CB -0.567 31.314 32.600 -1.198 0.000 1.334 617 M HN 0.382 nan 8.290 nan 0.000 0.407 618 Y N -3.095 117.099 120.300 -0.177 0.000 2.655 618 Y HA 0.766 5.316 4.550 -0.001 0.000 0.336 618 Y C -0.871 175.056 175.900 0.046 0.000 1.154 618 Y CA -2.580 55.506 58.100 -0.023 0.000 1.055 618 Y CB 0.396 38.869 38.460 0.022 0.000 1.295 618 Y HN -0.002 nan 8.280 nan 0.000 0.465 619 A N 0.630 123.645 122.820 0.326 0.000 2.306 619 A HA 0.558 4.877 4.320 -0.001 0.000 0.314 619 A C -1.000 176.770 177.584 0.309 0.000 1.164 619 A CA -0.367 51.827 52.037 0.261 0.000 0.822 619 A CB 0.496 19.608 19.000 0.187 0.000 1.130 619 A HN 0.705 nan 8.150 nan 0.000 0.496 620 D N 2.858 123.436 120.400 0.295 0.000 2.502 620 D HA 0.271 4.911 4.640 -0.001 0.000 0.301 620 D C -1.696 174.753 176.300 0.249 0.000 1.202 620 D CA -1.445 52.724 54.000 0.281 0.000 0.878 620 D CB 1.047 42.066 40.800 0.364 0.000 1.062 620 D HN 0.249 nan 8.370 nan 0.000 0.499 621 P HA -0.139 nan 4.420 nan 0.000 0.219 621 P C 1.020 178.438 177.300 0.196 0.000 1.146 621 P CA 0.761 63.983 63.100 0.203 0.000 0.808 621 P CB 0.742 32.554 31.700 0.187 0.000 0.779 622 N N -0.766 118.053 118.700 0.198 0.000 2.250 622 N HA -0.090 4.649 4.740 -0.001 0.000 0.181 622 N C 1.550 177.222 175.510 0.269 0.000 1.017 622 N CA 0.650 53.822 53.050 0.202 0.000 0.866 622 N CB -0.985 37.610 38.487 0.180 0.000 0.985 622 N HN 0.110 nan 8.380 nan 0.000 0.429 623 F N 1.790 121.823 119.950 0.137 0.000 2.293 623 F HA -0.010 4.517 4.527 -0.001 0.000 0.300 623 F C 1.950 177.840 175.800 0.150 0.000 1.086 623 F CA 0.560 58.661 58.000 0.168 0.000 1.375 623 F CB -0.248 38.804 39.000 0.088 0.000 1.045 623 F HN -0.247 nan 8.300 nan 0.000 0.516 624 V N 0.979 120.872 119.914 -0.035 0.000 2.548 624 V HA -0.192 3.928 4.120 -0.001 0.000 0.249 624 V C 2.613 178.545 176.094 -0.269 0.000 1.055 624 V CA 1.915 64.083 62.300 -0.220 0.000 1.065 624 V CB -0.697 31.060 31.823 -0.110 0.000 0.681 624 V HN 0.318 nan 8.190 nan 0.000 0.462 625 R N -0.079 120.350 120.500 -0.119 0.000 2.090 625 R HA -0.130 4.209 4.340 -0.001 0.000 0.228 625 R C 2.186 178.512 176.300 0.045 0.000 1.110 625 R CA 1.950 58.021 56.100 -0.049 0.000 0.973 625 R CB -0.327 30.057 30.300 0.140 0.000 0.869 625 R HN 0.473 nan 8.270 nan 0.000 0.440 626 T N 0.526 115.134 114.554 0.091 0.000 2.851 626 T HA -0.081 4.269 4.350 -0.001 0.000 0.262 626 T C 1.247 176.011 174.700 0.107 0.000 1.043 626 T CA 1.174 63.352 62.100 0.131 0.000 1.140 626 T CB -0.294 68.724 68.868 0.250 0.000 0.872 626 T HN 0.239 nan 8.240 nan 0.000 0.446 627 F N 1.697 121.573 119.950 -0.125 0.000 2.134 627 F HA 0.063 4.590 4.527 -0.001 0.000 0.299 627 F C 1.746 177.447 175.800 -0.164 0.000 1.097 627 F CA 1.137 59.042 58.000 -0.159 0.000 1.264 627 F CB -0.319 38.383 39.000 -0.496 0.000 1.001 627 F HN 0.022 nan 8.300 nan 0.000 0.479 628 L N -0.687 120.512 121.223 -0.041 0.000 2.551 628 L HA -0.110 4.229 4.340 -0.001 0.000 0.228 628 L C 1.792 178.401 176.870 -0.435 0.000 1.153 628 L CA 0.979 55.660 54.840 -0.266 0.000 0.851 628 L CB -0.654 41.242 42.059 -0.273 0.000 0.959 628 L HN 0.155 nan 8.230 nan 0.000 0.451 629 T N -2.199 112.250 114.554 -0.175 0.000 3.040 629 T HA -0.025 4.325 4.350 -0.001 0.000 0.252 629 T C 1.586 176.219 174.700 -0.111 0.000 1.064 629 T CA 1.334 63.389 62.100 -0.075 0.000 1.110 629 T CB 0.202 69.130 68.868 0.099 0.000 0.921 629 T HN 0.427 nan 8.240 nan 0.000 0.480 630 T N -0.600 113.860 114.554 -0.157 0.000 3.111 630 T HA 0.153 4.503 4.350 -0.001 0.000 0.284 630 T C 1.523 175.974 174.700 -0.415 0.000 0.983 630 T CA -0.524 61.457 62.100 -0.199 0.000 0.900 630 T CB -0.591 68.237 68.868 -0.066 0.000 1.132 630 T HN 0.465 nan 8.240 nan 0.000 0.531 631 Y N 2.296 122.118 120.300 -0.795 0.000 2.373 631 Y HA 0.275 4.824 4.550 -0.001 0.000 0.293 631 Y C 2.067 177.215 175.900 -1.254 0.000 1.129 631 Y CA 0.257 57.462 58.100 -1.491 0.000 1.226 631 Y CB -0.423 37.029 38.460 -1.680 0.000 1.000 631 Y HN 0.045 nan 8.280 nan 0.000 0.549 632 R N 0.955 120.502 120.500 -1.588 0.000 2.355 632 R HA -0.108 4.232 4.340 -0.001 0.000 0.219 632 R C 2.041 177.982 176.300 -0.598 0.000 1.107 632 R CA 1.200 56.644 56.100 -1.093 0.000 1.021 632 R CB -0.483 29.304 30.300 -0.855 0.000 0.852 632 R HN 0.623 nan 8.270 nan 0.000 0.475 633 S N -0.250 115.125 115.700 -0.541 0.000 2.548 633 S HA -0.008 4.462 4.470 -0.001 0.000 0.215 633 S C 1.115 175.657 174.600 -0.097 0.000 0.976 633 S CA -0.167 57.886 58.200 -0.246 0.000 0.908 633 S CB -0.006 63.121 63.200 -0.121 0.000 0.781 633 S HN 0.513 nan 8.310 nan 0.000 0.519 634 F N -1.010 118.869 119.950 -0.119 0.000 2.915 634 F HA 0.666 5.192 4.527 -0.001 0.000 0.347 634 F C -0.054 175.735 175.800 -0.019 0.000 1.104 634 F CA -1.541 56.426 58.000 -0.055 0.000 1.126 634 F CB -0.091 38.891 39.000 -0.030 0.000 1.145 634 F HN 0.325 nan 8.300 nan 0.000 0.541 635 C N 2.267 121.426 119.300 -0.235 0.000 3.090 635 C HA 0.557 5.017 4.460 -0.001 0.000 0.347 635 C C -1.145 173.791 174.990 -0.090 0.000 1.147 635 C CA -0.737 58.255 59.018 -0.044 0.000 1.305 635 C CB 1.339 29.120 27.740 0.070 0.000 1.692 635 C HN 0.254 nan 8.230 nan 0.000 0.506 636 K N 4.562 124.966 120.400 0.006 0.000 2.174 636 K HA 0.326 4.646 4.320 -0.001 0.000 0.275 636 K C -1.796 174.889 176.600 0.141 0.000 1.015 636 K CA -1.718 54.574 56.287 0.008 0.000 0.933 636 K CB 1.306 33.812 32.500 0.011 0.000 1.025 636 K HN 0.419 nan 8.250 nan 0.000 0.463 637 P HA -0.221 nan 4.420 nan 0.000 0.217 637 P C 1.148 178.600 177.300 0.253 0.000 1.158 637 P CA 1.453 64.749 63.100 0.327 0.000 0.887 637 P CB 0.367 32.192 31.700 0.209 0.000 0.792 638 Q N -0.367 119.509 119.800 0.128 0.000 2.124 638 Q HA -0.189 4.151 4.340 -0.001 0.000 0.202 638 Q C 2.041 178.099 176.000 0.096 0.000 0.977 638 Q CA 1.523 57.379 55.803 0.089 0.000 0.850 638 Q CB -0.579 28.201 28.738 0.072 0.000 0.901 638 Q HN 0.514 nan 8.270 nan 0.000 0.429 639 E N 0.519 120.778 120.200 0.098 0.000 2.150 639 E HA -0.084 4.265 4.350 -0.001 0.000 0.193 639 E C 2.095 178.752 176.600 0.095 0.000 0.985 639 E CA 0.247 56.700 56.400 0.088 0.000 0.814 639 E CB -0.031 29.720 29.700 0.084 0.000 0.752 639 E HN 0.217 nan 8.360 nan 0.000 0.466 640 L N 0.946 122.230 121.223 0.101 0.000 2.027 640 L HA -0.155 4.184 4.340 -0.001 0.000 0.206 640 L C 2.396 179.320 176.870 0.091 0.000 1.074 640 L CA 0.938 55.791 54.840 0.022 0.000 0.745 640 L CB -0.148 41.747 42.059 -0.273 0.000 0.898 640 L HN 0.231 nan 8.230 nan 0.000 0.433 641 L N -0.446 120.916 121.223 0.232 0.000 2.083 641 L HA -0.185 4.154 4.340 -0.001 0.000 0.209 641 L C 2.551 179.416 176.870 -0.009 0.000 1.083 641 L CA 1.830 56.775 54.840 0.175 0.000 0.752 641 L CB -0.627 41.495 42.059 0.106 0.000 0.899 641 L HN 0.138 nan 8.230 nan 0.000 0.433 642 S N -0.634 115.078 115.700 0.019 0.000 2.368 642 S HA -0.112 4.357 4.470 -0.001 0.000 0.224 642 S C 1.921 176.544 174.600 0.039 0.000 1.029 642 S CA 1.494 59.699 58.200 0.007 0.000 0.988 642 S CB -0.354 62.867 63.200 0.034 0.000 0.838 642 S HN 0.449 nan 8.310 nan 0.000 0.462 643 L N 0.796 122.067 121.223 0.081 0.000 2.093 643 L HA -0.030 4.309 4.340 -0.001 0.000 0.208 643 L C 2.197 179.168 176.870 0.167 0.000 1.085 643 L CA 0.970 55.911 54.840 0.169 0.000 0.755 643 L CB -0.411 41.756 42.059 0.180 0.000 0.904 643 L HN 0.293 nan 8.230 nan 0.000 0.435 644 I N -0.215 120.379 120.570 0.039 0.000 2.252 644 I HA -0.307 3.862 4.170 -0.001 0.000 0.245 644 I C 2.371 178.427 176.117 -0.101 0.000 1.102 644 I CA 1.456 62.734 61.300 -0.037 0.000 1.385 644 I CB -0.033 37.934 38.000 -0.056 0.000 1.064 644 I HN 0.194 nan 8.210 nan 0.000 0.414 645 I N 0.302 120.738 120.570 -0.223 0.000 2.252 645 I HA -0.289 3.881 4.170 -0.001 0.000 0.245 645 I C 2.499 178.660 176.117 0.073 0.000 1.102 645 I CA 1.321 62.470 61.300 -0.251 0.000 1.385 645 I CB -0.415 37.398 38.000 -0.313 0.000 1.064 645 I HN 0.297 nan 8.210 nan 0.000 0.414 646 E N 1.039 121.309 120.200 0.116 0.000 2.204 646 E HA -0.267 4.083 4.350 -0.001 0.000 0.194 646 E C 2.200 178.967 176.600 0.278 0.000 0.989 646 E CA 0.857 57.393 56.400 0.227 0.000 0.824 646 E CB 0.139 30.002 29.700 0.271 0.000 0.756 646 E HN 0.166 nan 8.360 nan 0.000 0.477 647 R N -0.325 120.233 120.500 0.096 0.000 2.119 647 R HA -0.050 4.289 4.340 -0.001 0.000 0.222 647 R C 1.828 178.094 176.300 -0.056 0.000 1.088 647 R CA 0.939 56.847 56.100 -0.321 0.000 0.984 647 R CB -0.673 29.322 30.300 -0.508 0.000 0.884 647 R HN 0.221 nan 8.270 nan 0.000 0.447 648 F N 1.402 121.340 119.950 -0.019 0.000 2.128 648 F HA 0.090 4.616 4.527 -0.001 0.000 0.295 648 F C 0.339 176.202 175.800 0.105 0.000 1.100 648 F CA 1.006 59.059 58.000 0.088 0.000 1.260 648 F CB 0.043 39.208 39.000 0.276 0.000 1.009 648 F HN 0.002 nan 8.300 nan 0.000 0.476 649 E N 2.331 122.708 120.200 0.296 0.000 1.858 649 E HA 0.087 4.436 4.350 -0.001 0.000 0.278 649 E C -0.499 176.172 176.600 0.119 0.000 1.172 649 E CA -0.085 56.432 56.400 0.195 0.000 1.127 649 E CB -0.471 29.376 29.700 0.246 0.000 1.084 649 E HN 0.378 nan 8.360 nan 0.000 0.455 650 I N 3.491 124.082 120.570 0.035 0.000 2.371 650 I HA 0.191 4.361 4.170 -0.001 0.000 0.290 650 I C -1.980 174.193 176.117 0.093 0.000 1.028 650 I CA -2.096 59.249 61.300 0.076 0.000 1.345 650 I CB 0.417 38.445 38.000 0.046 0.000 1.407 650 I HN 0.093 nan 8.210 nan 0.000 0.501 651 P HA 0.323 nan 4.420 nan 0.000 0.288 651 P C -1.003 176.329 177.300 0.054 0.000 1.267 651 P CA -0.706 62.473 63.100 0.131 0.000 0.815 651 P CB 0.777 32.626 31.700 0.249 0.000 0.989 652 E N 2.529 122.739 120.200 0.017 0.000 2.343 652 E HA 0.277 4.627 4.350 -0.001 0.000 0.269 652 E C -1.819 174.760 176.600 -0.035 0.000 1.047 652 E CA -1.378 55.014 56.400 -0.013 0.000 0.874 652 E CB -0.302 29.392 29.700 -0.011 0.000 1.033 652 E HN 0.407 nan 8.360 nan 0.000 0.409 677 F N 3.129 123.058 119.950 -0.036 0.000 2.771 677 F HA 0.187 4.714 4.527 -0.001 0.000 0.299 677 F C 0.111 175.896 175.800 -0.026 0.000 1.177 677 F CA 0.427 58.407 58.000 -0.033 0.000 1.450 677 F CB 0.109 39.084 39.000 -0.042 0.000 1.114 677 F HN -0.017 nan 8.300 nan 0.000 0.587 678 R N 1.515 122.049 120.500 0.057 0.000 4.576 678 R HA 0.047 4.387 4.340 -0.001 0.000 0.185 678 R C 1.237 177.530 176.300 -0.011 0.000 1.837 678 R CA 0.047 56.134 56.100 -0.022 0.000 1.520 678 R CB -0.545 29.748 30.300 -0.012 0.000 1.403 678 R HN 0.194 nan 8.270 nan 0.000 0.831 679 K N 0.186 120.567 120.400 -0.032 0.000 2.567 679 K HA 0.047 4.366 4.320 -0.001 0.000 0.218 679 K C 0.422 176.980 176.600 -0.070 0.000 1.440 679 K CA 0.188 56.460 56.287 -0.024 0.000 0.995 679 K CB 1.026 33.543 32.500 0.029 0.000 1.186 679 K HN 0.003 nan 8.250 nan 0.000 0.593 680 E N -0.311 119.798 120.200 -0.153 0.000 2.501 680 E HA 0.078 4.427 4.350 -0.001 0.000 0.200 680 E C 0.007 176.491 176.600 -0.193 0.000 1.016 680 E CA -0.045 56.235 56.400 -0.201 0.000 0.921 680 E CB 0.424 29.924 29.700 -0.334 0.000 1.034 680 E HN 0.248 nan 8.360 nan 0.000 0.468 681 Y N -1.384 118.737 120.300 -0.297 0.000 3.087 681 Y HA 0.243 4.792 4.550 -0.001 0.000 0.227 681 Y C 1.705 177.479 175.900 -0.211 0.000 1.015 681 Y CA 0.088 57.999 58.100 -0.315 0.000 1.399 681 Y CB 0.098 38.308 38.460 -0.418 0.000 1.483 681 Y HN -0.104 nan 8.280 nan 0.000 0.420 682 I N 0.694 121.255 120.570 -0.014 0.000 2.286 682 I HA -0.232 3.938 4.170 -0.001 0.000 0.245 682 I C 2.022 178.042 176.117 -0.161 0.000 1.104 682 I CA 1.108 62.357 61.300 -0.085 0.000 1.397 682 I CB -0.255 37.723 38.000 -0.036 0.000 1.072 682 I HN 0.367 nan 8.210 nan 0.000 0.417 683 Q N 0.729 120.454 119.800 -0.125 0.000 2.046 683 Q HA -0.125 4.215 4.340 -0.001 0.000 0.200 683 Q C -0.302 175.620 176.000 -0.130 0.000 0.975 683 Q CA 1.620 57.353 55.803 -0.117 0.000 0.836 683 Q CB -1.430 27.257 28.738 -0.086 0.000 0.896 683 Q HN 0.444 nan 8.270 nan 0.000 0.428 684 P HA -0.035 nan 4.420 nan 0.000 0.220 684 P C 1.675 178.889 177.300 -0.144 0.000 1.152 684 P CA 0.849 63.867 63.100 -0.136 0.000 0.812 684 P CB 0.059 31.676 31.700 -0.138 0.000 0.792 685 V N 0.977 120.746 119.914 -0.242 0.000 2.307 685 V HA -0.230 3.890 4.120 -0.001 0.000 0.245 685 V C 2.848 178.886 176.094 -0.092 0.000 1.045 685 V CA 1.865 64.020 62.300 -0.241 0.000 1.024 685 V CB -1.344 30.214 31.823 -0.441 0.000 0.651 685 V HN 0.127 nan 8.190 nan 0.000 0.449 686 Q N -0.842 118.888 119.800 -0.115 0.000 2.170 686 Q HA -0.220 4.119 4.340 -0.001 0.000 0.203 686 Q C 2.219 178.383 176.000 0.273 0.000 0.976 686 Q CA 1.537 57.355 55.803 0.026 0.000 0.858 686 Q CB -0.246 28.330 28.738 -0.269 0.000 0.907 686 Q HN 0.535 nan 8.270 nan 0.000 0.433 687 L N 0.816 122.111 121.223 0.120 0.000 2.005 687 L HA -0.173 4.166 4.340 -0.001 0.000 0.207 687 L C 2.230 179.255 176.870 0.258 0.000 1.072 687 L CA 1.639 56.571 54.840 0.153 0.000 0.744 687 L CB -0.189 41.845 42.059 -0.041 0.000 0.895 687 L HN 0.030 nan 8.230 nan 0.000 0.433 688 R N -0.649 119.941 120.500 0.151 0.000 2.096 688 R HA -0.094 4.246 4.340 -0.001 0.000 0.235 688 R C 2.208 178.613 176.300 0.176 0.000 1.127 688 R CA 1.537 57.727 56.100 0.149 0.000 0.968 688 R CB -1.369 28.974 30.300 0.072 0.000 0.861 688 R HN 0.339 nan 8.270 nan 0.000 0.440 689 V N 1.911 121.944 119.914 0.199 0.000 2.287 689 V HA -0.224 3.895 4.120 -0.001 0.000 0.248 689 V C 2.489 178.743 176.094 0.267 0.000 1.053 689 V CA 1.674 64.111 62.300 0.229 0.000 1.027 689 V CB -0.457 31.591 31.823 0.376 0.000 0.646 689 V HN 0.195 nan 8.190 nan 0.000 0.447 690 L N -0.051 121.372 121.223 0.333 0.000 2.217 690 L HA -0.088 4.252 4.340 -0.001 0.000 0.211 690 L C 2.269 179.248 176.870 0.183 0.000 1.107 690 L CA 1.010 56.007 54.840 0.261 0.000 0.783 690 L CB -0.582 41.679 42.059 0.337 0.000 0.919 690 L HN 0.347 nan 8.230 nan 0.000 0.442 691 N N -0.600 118.261 118.700 0.268 0.000 2.331 691 N HA -0.085 4.655 4.740 -0.001 0.000 0.180 691 N C 1.823 177.465 175.510 0.219 0.000 1.019 691 N CA 0.805 53.995 53.050 0.233 0.000 0.881 691 N CB 0.099 38.762 38.487 0.293 0.000 0.972 691 N HN 0.098 nan 8.380 nan 0.000 0.435 692 V N 0.292 120.325 119.914 0.198 0.000 2.379 692 V HA -0.192 3.928 4.120 -0.001 0.000 0.245 692 V C 2.338 178.602 176.094 0.284 0.000 1.044 692 V CA 1.058 63.464 62.300 0.178 0.000 1.036 692 V CB -0.365 31.495 31.823 0.062 0.000 0.664 692 V HN 0.328 nan 8.190 nan 0.000 0.453 693 C N -0.262 119.202 119.300 0.272 0.000 2.413 693 C HA -0.174 4.285 4.460 -0.001 0.000 0.276 693 C C 2.882 178.000 174.990 0.213 0.000 1.248 693 C CA 1.498 60.695 59.018 0.299 0.000 1.742 693 C CB -1.205 26.656 27.740 0.201 0.000 2.017 693 C HN 0.563 nan 8.230 nan 0.000 0.481 694 R N 0.051 120.622 120.500 0.118 0.000 2.073 694 R HA -0.184 4.156 4.340 -0.001 0.000 0.234 694 R C 2.191 178.555 176.300 0.107 0.000 1.134 694 R CA 2.022 58.136 56.100 0.023 0.000 0.952 694 R CB -0.672 29.590 30.300 -0.063 0.000 0.850 694 R HN 0.730 nan 8.270 nan 0.000 0.433 695 H N -1.126 118.026 119.070 0.136 0.000 2.387 695 H HA -0.197 4.358 4.556 -0.001 0.000 0.299 695 H C 1.756 177.292 175.328 0.347 0.000 1.090 695 H CA 1.772 57.950 56.048 0.215 0.000 1.332 695 H CB -0.113 29.805 29.762 0.259 0.000 1.386 695 H HN 0.370 nan 8.280 nan 0.000 0.516 696 W N 0.951 122.460 121.300 0.348 0.000 2.354 696 W HA -0.182 4.478 4.660 -0.001 0.000 0.315 696 W C 2.074 178.809 176.519 0.361 0.000 1.206 696 W CA 1.570 59.130 57.345 0.359 0.000 1.290 696 W CB -0.867 28.758 29.460 0.275 0.000 1.152 696 W HN 0.071 nan 8.180 nan 0.000 0.489 697 V N 0.790 120.923 119.914 0.364 0.000 2.626 697 V HA -0.238 3.882 4.120 -0.001 0.000 0.252 697 V C 2.113 178.280 176.094 0.122 0.000 1.067 697 V CA 2.296 64.681 62.300 0.142 0.000 1.081 697 V CB -0.860 30.869 31.823 -0.157 0.000 0.686 697 V HN 0.097 nan 8.190 nan 0.000 0.468 698 E N -0.034 120.157 120.200 -0.016 0.000 2.021 698 E HA -0.142 4.208 4.350 -0.001 0.000 0.189 698 E C 2.134 178.564 176.600 -0.283 0.000 0.980 698 E CA 1.318 57.554 56.400 -0.272 0.000 0.803 698 E CB -0.158 29.218 29.700 -0.541 0.000 0.766 698 E HN 0.675 nan 8.360 nan 0.000 0.449 699 H N -1.432 117.668 119.070 0.049 0.000 2.575 699 H HA 0.188 4.744 4.556 -0.001 0.000 0.267 699 H C 0.269 175.381 175.328 -0.359 0.000 0.966 699 H CA 0.649 56.618 56.048 -0.132 0.000 1.165 699 H CB 0.456 30.117 29.762 -0.169 0.000 1.433 699 H HN 0.256 nan 8.280 nan 0.000 0.544 700 H N -0.700 118.575 119.070 0.342 0.000 2.790 700 H HA 0.016 4.571 4.556 -0.001 0.000 0.232 700 H C 0.571 175.870 175.328 -0.049 0.000 1.313 700 H CA -0.360 55.715 56.048 0.044 0.000 1.011 700 H CB -0.249 29.553 29.762 0.067 0.000 2.105 700 H HN 0.124 nan 8.280 nan 0.000 0.580 701 F N 1.721 121.724 119.950 0.089 0.000 2.408 701 F HA -0.224 4.303 4.527 -0.001 0.000 0.300 701 F C 2.021 177.903 175.800 0.135 0.000 1.090 701 F CA 0.915 59.020 58.000 0.175 0.000 1.427 701 F CB -0.100 38.962 39.000 0.103 0.000 1.070 701 F HN 0.298 nan 8.300 nan 0.000 0.549 702 Y N -1.610 118.813 120.300 0.205 0.000 2.315 702 Y HA -0.189 4.360 4.550 -0.001 0.000 0.288 702 Y C 1.932 177.796 175.900 -0.060 0.000 1.154 702 Y CA 1.129 59.271 58.100 0.069 0.000 1.229 702 Y CB -1.605 36.913 38.460 0.097 0.000 0.980 702 Y HN -0.048 nan 8.280 nan 0.000 0.540 703 D N 0.422 120.596 120.400 -0.376 0.000 2.144 703 D HA -0.135 4.504 4.640 -0.001 0.000 0.199 703 D C 1.480 177.413 176.300 -0.613 0.000 0.984 703 D CA 1.399 55.160 54.000 -0.398 0.000 0.834 703 D CB -0.411 40.129 40.800 -0.434 0.000 0.955 703 D HN 0.480 nan 8.370 nan 0.000 0.465 704 F N 0.793 120.436 119.950 -0.512 0.000 2.569 704 F HA 0.147 4.673 4.527 -0.001 0.000 0.295 704 F C 2.199 177.688 175.800 -0.518 0.000 1.115 704 F CA 0.344 57.955 58.000 -0.648 0.000 1.450 704 F CB -0.133 38.215 39.000 -1.087 0.000 1.107 704 F HN -0.080 nan 8.300 nan 0.000 0.563 705 E N 0.258 120.273 120.200 -0.309 0.000 2.216 705 E HA -0.073 4.277 4.350 -0.001 0.000 0.192 705 E C 1.872 178.452 176.600 -0.034 0.000 0.988 705 E CA 0.565 56.910 56.400 -0.093 0.000 0.834 705 E CB -0.108 29.616 29.700 0.039 0.000 0.772 705 E HN 0.419 nan 8.360 nan 0.000 0.479 706 R N 0.387 120.857 120.500 -0.051 0.000 2.276 706 R HA 0.042 4.382 4.340 -0.001 0.000 0.196 706 R C 0.104 176.385 176.300 -0.033 0.000 0.961 706 R CA 0.398 56.486 56.100 -0.021 0.000 1.024 706 R CB 0.376 30.679 30.300 0.005 0.000 0.940 706 R HN -0.057 nan 8.270 nan 0.000 0.480 707 D N -0.456 119.906 120.400 -0.063 0.000 2.328 707 D HA 0.230 4.870 4.640 -0.001 0.000 0.243 707 D C 0.370 176.667 176.300 -0.004 0.000 1.324 707 D CA -0.255 53.728 54.000 -0.029 0.000 0.966 707 D CB 1.232 42.002 40.800 -0.051 0.000 1.324 707 D HN 0.001 nan 8.370 nan 0.000 0.549 708 A N 3.047 125.889 122.820 0.036 0.000 1.917 708 A HA -0.258 4.061 4.320 -0.001 0.000 0.219 708 A C 1.783 179.432 177.584 0.109 0.000 1.182 708 A CA 1.372 53.445 52.037 0.061 0.000 0.633 708 A CB -0.768 18.271 19.000 0.065 0.000 0.819 708 A HN 0.665 nan 8.150 nan 0.000 0.448 709 Y N -0.184 120.111 120.300 -0.008 0.000 2.293 709 Y HA -0.080 4.470 4.550 -0.001 0.000 0.291 709 Y C 1.931 177.832 175.900 0.002 0.000 1.137 709 Y CA 1.284 59.383 58.100 -0.002 0.000 1.202 709 Y CB -0.383 38.075 38.460 -0.004 0.000 0.990 709 Y HN 0.255 nan 8.280 nan 0.000 0.537 710 L N -0.485 120.686 121.223 -0.087 0.000 2.046 710 L HA -0.155 4.185 4.340 -0.001 0.000 0.208 710 L C 2.223 179.071 176.870 -0.037 0.000 1.077 710 L CA 1.623 56.359 54.840 -0.174 0.000 0.747 710 L CB -0.927 40.992 42.059 -0.233 0.000 0.896 710 L HN 0.337 nan 8.230 nan 0.000 0.432 711 L N -0.552 120.721 121.223 0.083 0.000 2.056 711 L HA -0.219 4.121 4.340 -0.001 0.000 0.207 711 L C 2.556 179.388 176.870 -0.063 0.000 1.078 711 L CA 2.043 56.919 54.840 0.061 0.000 0.749 711 L CB -0.857 41.217 42.059 0.026 0.000 0.901 711 L HN 0.540 nan 8.230 nan 0.000 0.433 712 Q N -0.541 119.228 119.800 -0.052 0.000 2.045 712 Q HA -0.275 4.065 4.340 -0.001 0.000 0.206 712 Q C 2.352 178.287 176.000 -0.108 0.000 0.991 712 Q CA 2.203 57.979 55.803 -0.046 0.000 0.851 712 Q CB -0.159 28.609 28.738 0.050 0.000 0.911 712 Q HN 0.479 nan 8.270 nan 0.000 0.418 713 R N -0.619 119.728 120.500 -0.254 0.000 2.127 713 R HA -0.141 4.199 4.340 -0.001 0.000 0.238 713 R C 2.355 178.601 176.300 -0.089 0.000 1.134 713 R CA 1.377 57.339 56.100 -0.230 0.000 0.975 713 R CB -0.210 29.852 30.300 -0.395 0.000 0.865 713 R HN 0.394 nan 8.270 nan 0.000 0.447 714 M N 0.627 120.168 119.600 -0.099 0.000 2.156 714 M HA -0.111 4.369 4.480 -0.001 0.000 0.264 714 M C 1.729 178.000 176.300 -0.049 0.000 1.067 714 M CA 1.668 56.926 55.300 -0.069 0.000 1.131 714 M CB -0.349 32.115 32.600 -0.226 0.000 1.368 714 M HN 0.146 nan 8.290 nan 0.000 0.416 715 E N -0.431 119.716 120.200 -0.088 0.000 2.150 715 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 715 E C 1.806 178.373 176.600 -0.054 0.000 0.985 715 E CA 0.901 57.250 56.400 -0.084 0.000 0.814 715 E CB -0.030 29.624 29.700 -0.077 0.000 0.752 715 E HN 0.604 nan 8.360 nan 0.000 0.466 716 E N 0.245 120.433 120.200 -0.019 0.000 2.072 716 E HA -0.152 4.197 4.350 -0.001 0.000 0.190 716 E C 1.836 178.449 176.600 0.021 0.000 0.982 716 E CA 0.668 57.070 56.400 0.004 0.000 0.803 716 E CB -0.129 29.586 29.700 0.026 0.000 0.755 716 E HN 0.164 nan 8.360 nan 0.000 0.453 717 F N 1.755 121.640 119.950 -0.108 0.000 2.146 717 F HA -0.178 4.349 4.527 -0.001 0.000 0.298 717 F C 1.972 177.670 175.800 -0.170 0.000 1.096 717 F CA 0.983 58.903 58.000 -0.134 0.000 1.275 717 F CB -0.079 38.830 39.000 -0.152 0.000 1.008 717 F HN -0.083 nan 8.300 nan 0.000 0.480 718 I N 0.874 121.237 120.570 -0.344 0.000 2.208 718 I HA -0.214 3.956 4.170 -0.001 0.000 0.245 718 I C 2.614 178.527 176.117 -0.341 0.000 1.097 718 I CA 1.682 62.725 61.300 -0.429 0.000 1.363 718 I CB -2.177 35.683 38.000 -0.233 0.000 1.051 718 I HN 0.317 nan 8.210 nan 0.000 0.413 719 G N -0.774 107.899 108.800 -0.211 0.000 2.776 719 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.209 719 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.209 719 G C 1.450 176.271 174.900 -0.131 0.000 1.145 719 G CA 0.581 45.597 45.100 -0.141 0.000 0.791 719 G HN 0.307 nan 8.290 nan 0.000 0.530 720 T N 0.522 114.954 114.554 -0.204 0.000 3.060 720 T HA 0.168 4.517 4.350 -0.001 0.000 0.249 720 T C 1.009 175.631 174.700 -0.131 0.000 1.079 720 T CA -0.288 61.732 62.100 -0.134 0.000 1.013 720 T CB 0.255 69.073 68.868 -0.084 0.000 0.975 720 T HN -0.044 nan 8.240 nan 0.000 0.518 721 V N 2.974 122.756 119.914 -0.220 0.000 2.540 721 V HA 0.060 4.179 4.120 -0.001 0.000 0.297 721 V C 1.256 177.358 176.094 0.013 0.000 1.024 721 V CA 0.334 62.579 62.300 -0.092 0.000 1.105 721 V CB 0.852 32.599 31.823 -0.126 0.000 0.938 721 V HN 0.301 nan 8.190 nan 0.000 0.482 722 R N 3.449 124.002 120.500 0.088 0.000 2.055 722 R HA 0.195 4.534 4.340 -0.001 0.000 0.221 722 R C 1.623 177.957 176.300 0.058 0.000 1.154 722 R CA 0.679 56.819 56.100 0.067 0.000 0.975 722 R CB -0.731 29.615 30.300 0.077 0.000 0.869 722 R HN 0.853 nan 8.270 nan 0.000 0.437 723 G N 2.654 111.498 108.800 0.073 0.000 2.164 723 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.259 723 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.259 723 G C 0.308 175.237 174.900 0.048 0.000 0.894 723 G CA 0.093 45.227 45.100 0.057 0.000 0.961 723 G HN 0.201 nan 8.290 nan 0.000 0.369 724 K N 2.526 122.948 120.400 0.036 0.000 2.152 724 K HA -0.177 4.142 4.320 -0.001 0.000 0.206 724 K C 2.678 179.298 176.600 0.033 0.000 1.048 724 K CA 1.547 57.853 56.287 0.031 0.000 0.933 724 K CB -0.050 32.466 32.500 0.027 0.000 0.721 724 K HN 0.571 nan 8.250 nan 0.000 0.447 725 A N 0.789 123.628 122.820 0.032 0.000 1.935 725 A HA 0.005 4.325 4.320 -0.001 0.000 0.214 725 A C 2.130 179.740 177.584 0.043 0.000 1.178 725 A CA 0.587 52.635 52.037 0.018 0.000 0.640 725 A CB -0.214 18.786 19.000 0.001 0.000 0.825 725 A HN 0.119 nan 8.150 nan 0.000 0.447 726 M N -0.286 119.357 119.600 0.072 0.000 2.213 726 M HA -0.167 4.312 4.480 -0.001 0.000 0.263 726 M C 1.993 178.402 176.300 0.183 0.000 1.062 726 M CA 1.471 56.869 55.300 0.165 0.000 1.105 726 M CB -0.370 32.333 32.600 0.172 0.000 1.385 726 M HN 0.370 nan 8.290 nan 0.000 0.417 727 K N 0.151 120.607 120.400 0.093 0.000 2.063 727 K HA -0.214 4.106 4.320 -0.001 0.000 0.208 727 K C 2.000 178.628 176.600 0.047 0.000 1.048 727 K CA 1.293 57.608 56.287 0.046 0.000 0.928 727 K CB -0.222 32.289 32.500 0.019 0.000 0.713 727 K HN 0.003 nan 8.250 nan 0.000 0.442 728 K N 0.317 120.756 120.400 0.066 0.000 2.147 728 K HA -0.182 4.137 4.320 -0.001 0.000 0.205 728 K C 1.612 178.274 176.600 0.103 0.000 1.049 728 K CA 1.148 57.471 56.287 0.059 0.000 0.936 728 K CB -0.282 32.248 32.500 0.050 0.000 0.722 728 K HN 0.285 nan 8.250 nan 0.000 0.446 729 W N -0.480 120.786 121.300 -0.056 0.000 2.453 729 W HA 0.014 4.673 4.660 -0.001 0.000 0.289 729 W C 1.333 177.825 176.519 -0.045 0.000 1.215 729 W CA 0.561 57.875 57.345 -0.052 0.000 1.297 729 W CB -0.141 29.287 29.460 -0.054 0.000 1.113 729 W HN -0.175 nan 8.180 nan 0.000 0.551 730 V N 1.381 121.263 119.914 -0.054 0.000 3.141 730 V HA -0.207 3.912 4.120 -0.001 0.000 0.265 730 V C 1.817 177.778 176.094 -0.221 0.000 1.126 730 V CA 1.853 64.015 62.300 -0.230 0.000 1.141 730 V CB -0.585 31.174 31.823 -0.106 0.000 0.743 730 V HN 0.184 nan 8.190 nan 0.000 0.492 731 E N -0.247 119.863 120.200 -0.150 0.000 2.204 731 E HA -0.142 4.207 4.350 -0.001 0.000 0.194 731 E C 2.303 178.802 176.600 -0.168 0.000 0.989 731 E CA 1.236 57.557 56.400 -0.131 0.000 0.824 731 E CB -0.093 29.561 29.700 -0.078 0.000 0.756 731 E HN 0.538 nan 8.360 nan 0.000 0.477 732 S N 0.775 116.339 115.700 -0.226 0.000 2.402 732 S HA -0.078 4.391 4.470 -0.001 0.000 0.229 732 S C 1.964 176.409 174.600 -0.258 0.000 1.021 732 S CA 0.640 58.698 58.200 -0.237 0.000 0.974 732 S CB -0.044 62.982 63.200 -0.290 0.000 0.800 732 S HN 0.233 nan 8.310 nan 0.000 0.484 733 I N 1.288 121.675 120.570 -0.305 0.000 2.286 733 I HA -0.143 4.027 4.170 -0.001 0.000 0.245 733 I C 2.407 178.388 176.117 -0.226 0.000 1.104 733 I CA 1.087 62.223 61.300 -0.272 0.000 1.397 733 I CB -0.846 36.982 38.000 -0.286 0.000 1.072 733 I HN 0.251 nan 8.210 nan 0.000 0.417 734 T N 0.746 115.177 114.554 -0.204 0.000 2.788 734 T HA -0.189 4.160 4.350 -0.001 0.000 0.268 734 T C 2.022 176.622 174.700 -0.168 0.000 1.044 734 T CA 1.138 63.134 62.100 -0.174 0.000 1.139 734 T CB -0.161 68.620 68.868 -0.145 0.000 0.867 734 T HN 0.155 nan 8.240 nan 0.000 0.454 735 K N 1.243 121.544 120.400 -0.164 0.000 2.057 735 K HA 0.003 4.322 4.320 -0.001 0.000 0.207 735 K C 2.177 178.668 176.600 -0.182 0.000 1.049 735 K CA 1.158 57.354 56.287 -0.153 0.000 0.931 735 K CB -0.570 31.848 32.500 -0.136 0.000 0.714 735 K HN 0.396 nan 8.250 nan 0.000 0.440 736 I N 0.831 121.276 120.570 -0.208 0.000 2.226 736 I HA -0.292 3.878 4.170 -0.001 0.000 0.245 736 I C 2.369 178.299 176.117 -0.311 0.000 1.100 736 I CA 0.983 62.135 61.300 -0.246 0.000 1.374 736 I CB -0.230 37.623 38.000 -0.244 0.000 1.057 736 I HN 0.071 nan 8.210 nan 0.000 0.413 737 I N 0.332 120.730 120.570 -0.287 0.000 2.127 737 I HA -0.332 3.837 4.170 -0.001 0.000 0.241 737 I C 2.692 178.632 176.117 -0.294 0.000 1.075 737 I CA 1.488 62.602 61.300 -0.311 0.000 1.334 737 I CB -0.451 37.424 38.000 -0.209 0.000 1.040 737 I HN 0.283 nan 8.210 nan 0.000 0.405 738 Q N 1.240 120.916 119.800 -0.206 0.000 2.181 738 Q HA -0.232 4.108 4.340 -0.001 0.000 0.205 738 Q C 2.182 178.073 176.000 -0.182 0.000 0.980 738 Q CA 1.608 57.315 55.803 -0.160 0.000 0.862 738 Q CB -0.326 28.339 28.738 -0.122 0.000 0.905 738 Q HN 0.298 nan 8.270 nan 0.000 0.429 739 R N -0.325 120.043 120.500 -0.220 0.000 2.075 739 R HA -0.070 4.270 4.340 -0.001 0.000 0.232 739 R C 1.067 177.210 176.300 -0.262 0.000 1.126 739 R CA 1.185 57.159 56.100 -0.211 0.000 0.963 739 R CB 0.052 30.228 30.300 -0.207 0.000 0.858 739 R HN 0.008 nan 8.270 nan 0.000 0.435 740 K N 1.178 121.314 120.400 -0.439 0.000 2.589 740 K HA -0.004 4.315 4.320 -0.001 0.000 0.192 740 K C -0.015 176.361 176.600 -0.374 0.000 1.029 740 K CA 0.725 56.649 56.287 -0.606 0.000 1.031 740 K CB 0.131 31.722 32.500 -1.515 0.000 0.821 740 K HN 0.274 nan 8.250 nan 0.000 0.502 758 P HA 0.236 nan 4.420 nan 0.000 0.265 758 P C -2.544 174.762 177.300 0.010 0.000 1.187 758 P CA -0.654 62.457 63.100 0.019 0.000 0.766 758 P CB -0.669 31.046 31.700 0.025 0.000 0.820 759 P HA -0.036 nan 4.420 nan 0.000 0.267 759 P C -0.160 177.127 177.300 -0.022 0.000 1.201 759 P CA 0.205 63.297 63.100 -0.013 0.000 0.775 759 P CB 0.123 31.809 31.700 -0.023 0.000 0.854 760 T N 1.262 115.802 114.554 -0.022 0.000 2.940 760 T HA 0.088 4.438 4.350 -0.001 0.000 0.309 760 T C 0.550 175.210 174.700 -0.066 0.000 1.056 760 T CA -0.393 61.697 62.100 -0.017 0.000 1.137 760 T CB 0.110 68.980 68.868 0.003 0.000 0.976 760 T HN 0.145 nan 8.240 nan 0.000 0.547 761 V N 3.520 123.402 119.914 -0.054 0.000 2.458 761 V HA 0.040 4.160 4.120 -0.001 0.000 0.287 761 V C 0.765 176.688 176.094 -0.284 0.000 1.009 761 V CA 0.087 62.278 62.300 -0.182 0.000 1.091 761 V CB 0.120 31.877 31.823 -0.110 0.000 0.960 761 V HN 0.769 nan 8.190 nan 0.000 0.476 762 E N 3.834 123.761 120.200 -0.456 0.000 2.331 762 E HA 0.405 4.754 4.350 -0.001 0.000 0.272 762 E C -1.058 175.181 176.600 -0.601 0.000 1.036 762 E CA 0.001 56.087 56.400 -0.524 0.000 0.864 762 E CB 0.765 29.923 29.700 -0.902 0.000 1.035 762 E HN 0.553 nan 8.360 nan 0.000 0.408 763 W N 2.041 123.304 121.300 -0.062 0.000 2.950 763 W HA 0.408 5.067 4.660 -0.001 0.000 0.340 763 W C 0.493 177.150 176.519 0.230 0.000 1.139 763 W CA -0.527 56.861 57.345 0.071 0.000 1.188 763 W CB 1.301 30.786 29.460 0.042 0.000 1.426 763 W HN 0.616 nan 8.180 nan 0.000 0.531 764 H N 0.163 119.439 119.070 0.344 0.000 5.104 764 H HA 0.320 4.876 4.556 -0.001 0.000 0.167 764 H C 1.306 176.693 175.328 0.098 0.000 1.341 764 H CA -0.275 55.874 56.048 0.169 0.000 0.513 764 H CB 0.458 30.237 29.762 0.029 0.000 1.576 764 H HN 0.405 nan 8.280 nan 0.000 0.320 765 I N 0.946 121.258 120.570 -0.429 0.000 2.353 765 I HA -0.090 4.079 4.170 -0.001 0.000 0.248 765 I C 0.608 176.629 176.117 -0.159 0.000 1.119 765 I CA 0.525 61.571 61.300 -0.424 0.000 1.417 765 I CB -0.070 37.555 38.000 -0.625 0.000 1.078 765 I HN 0.084 nan 8.210 nan 0.000 0.421 766 S N 1.217 116.907 115.700 -0.016 0.000 2.545 766 S HA 0.359 4.829 4.470 -0.001 0.000 0.275 766 S C 0.037 174.736 174.600 0.165 0.000 1.299 766 S CA -0.536 57.737 58.200 0.121 0.000 1.048 766 S CB 0.872 64.258 63.200 0.311 0.000 0.938 766 S HN 0.111 nan 8.310 nan 0.000 0.496 767 R N 3.104 123.628 120.500 0.039 0.000 2.457 767 R HA 0.416 4.756 4.340 -0.001 0.000 0.284 767 R C -2.526 173.541 176.300 -0.387 0.000 1.024 767 R CA -2.084 53.895 56.100 -0.201 0.000 1.025 767 R CB -0.094 30.153 30.300 -0.089 0.000 1.063 767 R HN 0.362 nan 8.270 nan 0.000 0.493 768 P HA -0.014 nan 4.420 nan 0.000 0.261 768 P C 0.305 177.449 177.300 -0.259 0.000 1.183 768 P CA 0.903 63.471 63.100 -0.887 0.000 0.761 768 P CB 0.670 31.822 31.700 -0.913 0.000 0.785 769 G N 2.777 111.547 108.800 -0.049 0.000 2.254 769 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.225 769 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.225 769 G C 0.449 175.202 174.900 -0.244 0.000 1.003 769 G CA -0.367 44.658 45.100 -0.126 0.000 0.622 769 G HN 0.670 nan 8.290 nan 0.000 0.507 770 H N 1.750 120.698 119.070 -0.203 0.000 2.970 770 H HA 0.385 4.941 4.556 -0.001 0.000 0.226 770 H C 2.134 177.089 175.328 -0.622 0.000 1.909 770 H CA 0.320 56.215 56.048 -0.255 0.000 1.388 770 H CB -0.500 29.197 29.762 -0.108 0.000 1.773 770 H HN 0.453 nan 8.280 nan 0.000 0.559 771 I N 0.416 120.576 120.570 -0.685 0.000 2.151 771 I HA -0.351 3.819 4.170 -0.001 0.000 0.243 771 I C 1.944 177.777 176.117 -0.473 0.000 1.080 771 I CA 1.376 62.093 61.300 -0.971 0.000 1.339 771 I CB -0.041 37.696 38.000 -0.438 0.000 1.039 771 I HN 0.448 nan 8.210 nan 0.000 0.409 772 E N 0.507 120.606 120.200 -0.169 0.000 2.147 772 E HA -0.231 4.118 4.350 -0.001 0.000 0.199 772 E C 1.962 178.586 176.600 0.039 0.000 1.005 772 E CA 2.013 58.408 56.400 -0.010 0.000 0.810 772 E CB -0.463 29.263 29.700 0.043 0.000 0.736 772 E HN 0.509 nan 8.360 nan 0.000 0.460 773 T N 0.717 115.283 114.554 0.020 0.000 3.023 773 T HA -0.016 4.333 4.350 -0.001 0.000 0.266 773 T C 0.289 175.093 174.700 0.173 0.000 1.093 773 T CA 0.085 62.230 62.100 0.074 0.000 1.129 773 T CB -0.143 68.730 68.868 0.009 0.000 0.899 773 T HN -0.036 nan 8.240 nan 0.000 0.491 774 F N 2.905 122.788 119.950 -0.111 0.000 2.623 774 F HA 0.350 4.877 4.527 -0.001 0.000 0.383 774 F C 0.847 176.402 175.800 -0.408 0.000 1.077 774 F CA -0.451 57.317 58.000 -0.387 0.000 1.268 774 F CB -0.308 38.262 39.000 -0.717 0.000 1.053 774 F HN 0.078 nan 8.300 nan 0.000 0.571 775 D N 0.944 121.219 120.400 -0.208 0.000 2.764 775 D HA 0.072 4.712 4.640 -0.001 0.000 0.293 775 D C 0.440 176.832 176.300 0.155 0.000 1.287 775 D CA -0.647 53.420 54.000 0.112 0.000 0.768 775 D CB 0.836 41.766 40.800 0.216 0.000 1.288 775 D HN 0.274 nan 8.370 nan 0.000 0.426 776 L N 0.996 122.435 121.223 0.360 0.000 2.129 776 L HA 0.031 4.371 4.340 -0.001 0.000 0.212 776 L C 1.413 178.344 176.870 0.102 0.000 1.087 776 L CA 1.946 56.970 54.840 0.307 0.000 0.757 776 L CB -0.268 41.856 42.059 0.108 0.000 0.896 776 L HN 0.500 nan 8.230 nan 0.000 0.434 777 L N -2.109 119.112 121.223 -0.003 0.000 2.638 777 L HA 0.100 4.440 4.340 -0.001 0.000 0.232 777 L C 2.038 178.859 176.870 -0.082 0.000 1.099 777 L CA 0.710 55.523 54.840 -0.044 0.000 0.883 777 L CB -0.438 41.582 42.059 -0.064 0.000 1.136 777 L HN 0.292 nan 8.230 nan 0.000 0.492 778 T N -2.075 112.377 114.554 -0.171 0.000 2.937 778 T HA 0.136 4.486 4.350 -0.001 0.000 0.260 778 T C 0.956 175.626 174.700 -0.050 0.000 1.051 778 T CA 0.198 62.149 62.100 -0.248 0.000 1.141 778 T CB -0.116 68.592 68.868 -0.267 0.000 0.879 778 T HN -0.011 nan 8.240 nan 0.000 0.459 779 L N 1.420 122.603 121.223 -0.067 0.000 2.466 779 L HA 0.297 4.637 4.340 -0.001 0.000 0.257 779 L C 0.901 177.789 176.870 0.030 0.000 1.189 779 L CA -0.956 53.834 54.840 -0.083 0.000 0.813 779 L CB 0.286 42.209 42.059 -0.227 0.000 1.118 779 L HN 0.348 nan 8.230 nan 0.000 0.471 780 H N 3.467 122.480 119.070 -0.095 0.000 2.722 780 H HA 0.094 4.650 4.556 -0.001 0.000 0.328 780 H C -1.801 173.431 175.328 -0.161 0.000 1.067 780 H CA -1.748 54.221 56.048 -0.131 0.000 1.447 780 H CB 1.728 31.401 29.762 -0.147 0.000 1.469 780 H HN 0.308 nan 8.280 nan 0.000 0.544 781 P HA -0.171 nan 4.420 nan 0.000 0.216 781 P C 1.701 178.992 177.300 -0.015 0.000 1.150 781 P CA 1.182 64.213 63.100 -0.114 0.000 0.843 781 P CB 0.437 31.997 31.700 -0.233 0.000 0.787 782 I N -0.302 120.410 120.570 0.237 0.000 2.252 782 I HA -0.200 3.969 4.170 -0.001 0.000 0.245 782 I C 2.629 178.690 176.117 -0.094 0.000 1.102 782 I CA 1.459 62.780 61.300 0.035 0.000 1.385 782 I CB -0.643 37.349 38.000 -0.013 0.000 1.064 782 I HN -0.062 nan 8.210 nan 0.000 0.414 783 E N 1.292 121.423 120.200 -0.116 0.000 2.150 783 E HA -0.134 4.216 4.350 -0.001 0.000 0.193 783 E C 2.060 178.573 176.600 -0.145 0.000 0.985 783 E CA 1.080 57.351 56.400 -0.215 0.000 0.814 783 E CB -0.154 29.317 29.700 -0.382 0.000 0.752 783 E HN 0.418 nan 8.360 nan 0.000 0.466 784 I N 0.044 120.562 120.570 -0.088 0.000 2.142 784 I HA -0.306 3.863 4.170 -0.001 0.000 0.240 784 I C 2.283 178.280 176.117 -0.200 0.000 1.078 784 I CA 1.217 62.473 61.300 -0.073 0.000 1.343 784 I CB -0.400 37.632 38.000 0.053 0.000 1.046 784 I HN 0.155 nan 8.210 nan 0.000 0.405 785 A N 0.567 123.236 122.820 -0.253 0.000 1.933 785 A HA -0.211 4.109 4.320 -0.001 0.000 0.218 785 A C 2.372 179.916 177.584 -0.066 0.000 1.175 785 A CA 1.503 53.334 52.037 -0.343 0.000 0.628 785 A CB -0.560 18.065 19.000 -0.626 0.000 0.814 785 A HN 0.314 nan 8.150 nan 0.000 0.444 786 R N -0.895 119.534 120.500 -0.120 0.000 2.070 786 R HA -0.115 4.225 4.340 -0.001 0.000 0.233 786 R C 2.426 178.663 176.300 -0.104 0.000 1.137 786 R CA 1.535 57.567 56.100 -0.113 0.000 0.945 786 R CB -0.257 29.967 30.300 -0.126 0.000 0.845 786 R HN 0.506 nan 8.270 nan 0.000 0.430 787 Q N 0.482 120.228 119.800 -0.090 0.000 2.167 787 Q HA -0.086 4.254 4.340 -0.001 0.000 0.202 787 Q C 2.215 178.178 176.000 -0.061 0.000 0.970 787 Q CA 1.126 56.900 55.803 -0.048 0.000 0.855 787 Q CB -0.077 28.680 28.738 0.032 0.000 0.911 787 Q HN 0.401 nan 8.270 nan 0.000 0.438 788 L N 0.205 121.366 121.223 -0.104 0.000 2.217 788 L HA -0.121 4.218 4.340 -0.001 0.000 0.211 788 L C 2.182 179.031 176.870 -0.035 0.000 1.107 788 L CA 1.058 55.864 54.840 -0.057 0.000 0.783 788 L CB -0.336 41.742 42.059 0.033 0.000 0.919 788 L HN 0.187 nan 8.230 nan 0.000 0.442 789 T N -0.024 114.498 114.554 -0.054 0.000 2.812 789 T HA -0.101 4.248 4.350 -0.001 0.000 0.264 789 T C 1.956 176.488 174.700 -0.280 0.000 1.042 789 T CA 0.964 62.925 62.100 -0.232 0.000 1.140 789 T CB -0.124 68.525 68.868 -0.365 0.000 0.870 789 T HN 0.168 nan 8.240 nan 0.000 0.445 790 L N 0.385 121.486 121.223 -0.203 0.000 2.017 790 L HA -0.047 4.292 4.340 -0.001 0.000 0.208 790 L C 2.530 179.365 176.870 -0.059 0.000 1.073 790 L CA 1.151 55.929 54.840 -0.102 0.000 0.745 790 L CB -0.588 41.443 42.059 -0.047 0.000 0.894 790 L HN 0.226 nan 8.230 nan 0.000 0.432 791 L N -0.350 120.828 121.223 -0.075 0.000 1.989 791 L HA -0.260 4.079 4.340 -0.001 0.000 0.211 791 L C 2.550 179.310 176.870 -0.183 0.000 1.071 791 L CA 1.561 56.332 54.840 -0.116 0.000 0.749 791 L CB -0.321 41.660 42.059 -0.130 0.000 0.890 791 L HN 0.290 nan 8.230 nan 0.000 0.431 792 E N -1.333 118.756 120.200 -0.184 0.000 2.204 792 E HA -0.190 4.159 4.350 -0.001 0.000 0.194 792 E C 2.249 178.850 176.600 0.001 0.000 0.989 792 E CA 1.088 57.403 56.400 -0.142 0.000 0.824 792 E CB 0.053 29.686 29.700 -0.113 0.000 0.756 792 E HN 0.295 nan 8.360 nan 0.000 0.477 793 S N 0.521 116.238 115.700 0.028 0.000 2.362 793 S HA -0.143 4.326 4.470 -0.001 0.000 0.221 793 S C 1.462 176.169 174.600 0.178 0.000 1.032 793 S CA 1.127 59.435 58.200 0.180 0.000 0.973 793 S CB -0.084 63.274 63.200 0.264 0.000 0.849 793 S HN 0.155 nan 8.310 nan 0.000 0.465 794 D N 1.648 122.099 120.400 0.086 0.000 2.104 794 D HA -0.076 4.563 4.640 -0.001 0.000 0.194 794 D C 2.011 178.336 176.300 0.041 0.000 0.994 794 D CA 1.073 55.107 54.000 0.057 0.000 0.830 794 D CB -0.576 40.235 40.800 0.019 0.000 0.959 794 D HN 0.372 nan 8.370 nan 0.000 0.452 795 L N -0.231 120.998 121.223 0.010 0.000 2.043 795 L HA -0.237 4.102 4.340 -0.001 0.000 0.212 795 L C 2.512 179.425 176.870 0.072 0.000 1.075 795 L CA 1.194 56.032 54.840 -0.003 0.000 0.752 795 L CB -0.521 41.495 42.059 -0.071 0.000 0.891 795 L HN 0.101 nan 8.230 nan 0.000 0.432 796 Y N 1.172 121.494 120.300 0.037 0.000 2.200 796 Y HA -0.182 4.367 4.550 -0.001 0.000 0.290 796 Y C 2.621 178.589 175.900 0.113 0.000 1.137 796 Y CA 1.361 59.532 58.100 0.118 0.000 1.163 796 Y CB -0.189 38.347 38.460 0.127 0.000 0.988 796 Y HN -0.012 nan 8.280 nan 0.000 0.518 797 R N -0.057 120.429 120.500 -0.025 0.000 2.285 797 R HA 0.031 4.371 4.340 -0.001 0.000 0.213 797 R C 2.037 178.274 176.300 -0.105 0.000 1.068 797 R CA 0.684 56.719 56.100 -0.108 0.000 1.004 797 R CB -0.291 30.031 30.300 0.036 0.000 0.873 797 R HN 0.378 nan 8.270 nan 0.000 0.467 798 A N 0.816 123.590 122.820 -0.077 0.000 2.218 798 A HA 0.112 4.431 4.320 -0.001 0.000 0.209 798 A C 0.773 178.303 177.584 -0.090 0.000 1.168 798 A CA -0.077 51.924 52.037 -0.061 0.000 0.804 798 A CB 0.460 19.438 19.000 -0.038 0.000 0.834 798 A HN 0.007 nan 8.150 nan 0.000 0.482 799 V N 2.399 122.236 119.914 -0.129 0.000 2.508 799 V HA 0.134 4.254 4.120 -0.001 0.000 0.281 799 V C -0.175 175.850 176.094 -0.115 0.000 1.041 799 V CA -0.322 61.892 62.300 -0.142 0.000 1.016 799 V CB 0.762 32.495 31.823 -0.149 0.000 0.984 799 V HN 0.458 nan 8.190 nan 0.000 0.478 800 Q N 6.014 125.735 119.800 -0.131 0.000 2.214 800 Q HA 0.338 4.678 4.340 -0.001 0.000 0.251 800 Q C -1.787 174.179 176.000 -0.056 0.000 0.936 800 Q CA -2.471 53.285 55.803 -0.078 0.000 0.894 800 Q CB 1.154 29.810 28.738 -0.136 0.000 1.252 800 Q HN 0.324 nan 8.270 nan 0.000 0.448 801 P HA -0.129 nan 4.420 nan 0.000 0.222 801 P C 0.954 178.289 177.300 0.060 0.000 1.147 801 P CA 1.246 64.389 63.100 0.071 0.000 0.790 801 P CB 0.293 32.079 31.700 0.144 0.000 0.780 802 S N -1.273 114.476 115.700 0.081 0.000 2.603 802 S HA -0.039 4.431 4.470 -0.001 0.000 0.229 802 S C 1.477 175.992 174.600 -0.143 0.000 0.972 802 S CA 0.659 58.877 58.200 0.030 0.000 0.935 802 S CB -0.801 62.634 63.200 0.392 0.000 0.769 802 S HN 0.259 nan 8.310 nan 0.000 0.536 803 E N 0.311 120.414 120.200 -0.163 0.000 2.452 803 E HA 0.257 4.607 4.350 -0.001 0.000 0.197 803 E C 1.390 177.996 176.600 0.012 0.000 1.022 803 E CA 0.201 56.526 56.400 -0.125 0.000 0.890 803 E CB 0.114 29.694 29.700 -0.201 0.000 0.918 803 E HN 0.539 nan 8.360 nan 0.000 0.496 804 L N 0.123 121.359 121.223 0.023 0.000 2.445 804 L HA 0.150 4.490 4.340 -0.001 0.000 0.207 804 L C 0.840 177.853 176.870 0.239 0.000 1.053 804 L CA -0.042 54.875 54.840 0.129 0.000 0.841 804 L CB 0.134 42.190 42.059 -0.005 0.000 1.074 804 L HN -0.144 nan 8.230 nan 0.000 0.479 805 V N 2.007 121.977 119.914 0.093 0.000 2.617 805 V HA 0.164 4.283 4.120 -0.001 0.000 0.304 805 V C 1.318 177.418 176.094 0.010 0.000 1.040 805 V CA 1.241 63.566 62.300 0.042 0.000 1.149 805 V CB 0.025 31.825 31.823 -0.038 0.000 0.914 805 V HN 0.685 nan 8.190 nan 0.000 0.487 806 G N 3.780 112.584 108.800 0.008 0.000 2.136 806 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.242 806 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.242 806 G C 0.479 175.338 174.900 -0.068 0.000 0.989 806 G CA 0.298 45.371 45.100 -0.044 0.000 0.682 806 G HN 1.391 nan 8.290 nan 0.000 0.522 807 S N -2.426 113.260 115.700 -0.023 0.000 3.419 807 S HA -0.298 4.171 4.470 -0.001 0.000 0.350 807 S C 1.914 176.255 174.600 -0.430 0.000 1.128 807 S CA 1.042 59.032 58.200 -0.349 0.000 0.999 807 S CB -1.381 61.576 63.200 -0.406 0.000 0.923 807 S HN 1.348 nan 8.310 nan 0.000 0.522 808 V N -0.011 119.849 119.914 -0.089 0.000 2.546 808 V HA -0.233 3.886 4.120 -0.001 0.000 0.254 808 V C 1.921 177.990 176.094 -0.043 0.000 1.076 808 V CA 2.566 64.828 62.300 -0.063 0.000 1.087 808 V CB -0.576 31.241 31.823 -0.010 0.000 0.674 808 V HN 0.994 nan 8.190 nan 0.000 0.470 809 W N 0.254 121.504 121.300 -0.084 0.000 3.077 809 W HA 0.011 4.670 4.660 -0.001 0.000 0.245 809 W C 1.843 178.323 176.519 -0.065 0.000 1.316 809 W CA 0.939 58.231 57.345 -0.087 0.000 1.537 809 W CB -0.878 28.515 29.460 -0.111 0.000 1.131 809 W HN 0.269 nan 8.180 nan 0.000 0.695 810 T N -2.682 111.445 114.554 -0.711 0.000 2.990 810 T HA 0.187 4.537 4.350 -0.001 0.000 0.250 810 T C 1.017 175.545 174.700 -0.287 0.000 1.041 810 T CA -0.260 61.507 62.100 -0.556 0.000 1.010 810 T CB -0.084 68.363 68.868 -0.702 0.000 1.003 810 T HN -0.137 nan 8.240 nan 0.000 0.499 811 K N 2.078 122.336 120.400 -0.238 0.000 2.118 811 K HA 0.170 4.490 4.320 -0.001 0.000 0.240 811 K C 1.571 178.111 176.600 -0.100 0.000 1.035 811 K CA 0.081 56.278 56.287 -0.150 0.000 0.899 811 K CB 0.570 32.990 32.500 -0.133 0.000 1.085 811 K HN 0.562 nan 8.250 nan 0.000 0.498 812 E N 0.268 120.422 120.200 -0.076 0.000 2.209 812 E HA -0.198 4.151 4.350 -0.001 0.000 0.196 812 E C -0.228 176.345 176.600 -0.045 0.000 0.993 812 E CA 1.358 57.726 56.400 -0.054 0.000 0.819 812 E CB 0.019 29.692 29.700 -0.045 0.000 0.745 812 E HN 0.318 nan 8.360 nan 0.000 0.477 813 D N 1.291 121.661 120.400 -0.049 0.000 2.561 813 D HA 0.020 4.659 4.640 -0.001 0.000 0.232 813 D C 0.979 177.258 176.300 -0.034 0.000 1.198 813 D CA 0.112 54.089 54.000 -0.039 0.000 0.826 813 D CB 0.426 41.202 40.800 -0.041 0.000 0.992 813 D HN 0.444 nan 8.370 nan 0.000 0.490 814 K N 0.367 120.748 120.400 -0.031 0.000 2.057 814 K HA -0.103 4.216 4.320 -0.001 0.000 0.207 814 K C 1.253 177.852 176.600 -0.002 0.000 1.049 814 K CA 0.812 57.095 56.287 -0.008 0.000 0.931 814 K CB 0.054 32.556 32.500 0.004 0.000 0.714 814 K HN -0.110 nan 8.250 nan 0.000 0.440 815 E N 1.125 121.320 120.200 -0.009 0.000 2.160 815 E HA -0.128 4.222 4.350 -0.001 0.000 0.195 815 E C 2.104 178.694 176.600 -0.017 0.000 0.991 815 E CA 1.078 57.471 56.400 -0.011 0.000 0.810 815 E CB -0.202 29.491 29.700 -0.012 0.000 0.742 815 E HN 0.504 nan 8.360 nan 0.000 0.466 816 I N 1.263 121.822 120.570 -0.019 0.000 2.296 816 I HA -0.175 3.994 4.170 -0.001 0.000 0.242 816 I C 1.865 177.966 176.117 -0.026 0.000 1.087 816 I CA 0.692 61.980 61.300 -0.019 0.000 1.393 816 I CB -0.147 37.842 38.000 -0.019 0.000 1.093 816 I HN -0.018 nan 8.210 nan 0.000 0.421 817 N N 0.202 118.883 118.700 -0.032 0.000 2.416 817 N HA -0.000 4.739 4.740 -0.001 0.000 0.177 817 N C 0.470 175.936 175.510 -0.072 0.000 1.036 817 N CA 0.734 53.756 53.050 -0.047 0.000 0.901 817 N CB 0.265 38.726 38.487 -0.044 0.000 0.976 817 N HN 0.141 nan 8.380 nan 0.000 0.444 818 S N 1.001 116.674 115.700 -0.046 0.000 2.617 818 S HA 0.203 4.672 4.470 -0.001 0.000 0.237 818 S C -1.844 172.711 174.600 -0.076 0.000 1.142 818 S CA -0.850 57.311 58.200 -0.065 0.000 1.167 818 S CB 1.501 64.710 63.200 0.016 0.000 1.068 818 S HN 0.197 nan 8.310 nan 0.000 0.470 819 P HA -0.101 nan 4.420 nan 0.000 0.220 819 P C 0.741 177.994 177.300 -0.077 0.000 1.148 819 P CA 1.132 64.196 63.100 -0.061 0.000 0.803 819 P CB 0.154 31.827 31.700 -0.045 0.000 0.782 820 N N -0.107 118.528 118.700 -0.108 0.000 2.250 820 N HA -0.026 4.714 4.740 -0.001 0.000 0.181 820 N C 1.979 177.394 175.510 -0.159 0.000 1.017 820 N CA 0.435 53.416 53.050 -0.115 0.000 0.866 820 N CB -0.782 37.633 38.487 -0.120 0.000 0.985 820 N HN 0.158 nan 8.380 nan 0.000 0.429 821 L N 1.341 122.427 121.223 -0.229 0.000 1.994 821 L HA -0.103 4.237 4.340 -0.001 0.000 0.208 821 L C 2.085 178.806 176.870 -0.248 0.000 1.071 821 L CA 1.254 55.878 54.840 -0.360 0.000 0.745 821 L CB -0.362 41.422 42.059 -0.458 0.000 0.892 821 L HN 0.112 nan 8.230 nan 0.000 0.431 822 L N -0.281 120.854 121.223 -0.147 0.000 2.131 822 L HA -0.256 4.083 4.340 -0.001 0.000 0.210 822 L C 2.572 179.409 176.870 -0.055 0.000 1.092 822 L CA 1.210 56.004 54.840 -0.077 0.000 0.759 822 L CB -0.486 41.554 42.059 -0.031 0.000 0.903 822 L HN 0.262 nan 8.230 nan 0.000 0.435 823 K N -0.208 120.157 120.400 -0.060 0.000 2.148 823 K HA -0.175 4.144 4.320 -0.001 0.000 0.204 823 K C 2.237 178.828 176.600 -0.015 0.000 1.050 823 K CA 1.006 57.273 56.287 -0.032 0.000 0.942 823 K CB 0.030 32.507 32.500 -0.039 0.000 0.724 823 K HN 0.145 nan 8.250 nan 0.000 0.446 824 M N 0.811 120.382 119.600 -0.049 0.000 2.160 824 M HA -0.075 4.405 4.480 -0.001 0.000 0.264 824 M C 1.761 178.077 176.300 0.026 0.000 1.073 824 M CA 1.523 56.811 55.300 -0.020 0.000 1.142 824 M CB -0.206 32.363 32.600 -0.052 0.000 1.358 824 M HN 0.147 nan 8.290 nan 0.000 0.422 825 I N -0.137 120.413 120.570 -0.032 0.000 2.286 825 I HA -0.302 3.867 4.170 -0.001 0.000 0.248 825 I C 2.295 178.436 176.117 0.040 0.000 1.115 825 I CA 1.133 62.431 61.300 -0.003 0.000 1.392 825 I CB -0.550 37.421 38.000 -0.048 0.000 1.065 825 I HN 0.305 nan 8.210 nan 0.000 0.418 826 R N -0.297 120.221 120.500 0.030 0.000 2.152 826 R HA -0.209 4.130 4.340 -0.001 0.000 0.232 826 R C 2.282 178.610 176.300 0.047 0.000 1.117 826 R CA 1.348 57.467 56.100 0.031 0.000 0.981 826 R CB -0.499 29.808 30.300 0.013 0.000 0.870 826 R HN 0.478 nan 8.270 nan 0.000 0.451 827 H N -0.193 118.865 119.070 -0.020 0.000 2.333 827 H HA 0.001 4.557 4.556 -0.001 0.000 0.302 827 H C 1.686 177.009 175.328 -0.009 0.000 1.075 827 H CA 1.987 58.020 56.048 -0.025 0.000 1.348 827 H CB 0.023 29.771 29.762 -0.024 0.000 1.393 827 H HN -0.053 nan 8.280 nan 0.000 0.509 828 T N -0.457 114.161 114.554 0.107 0.000 2.684 828 T HA -0.189 4.161 4.350 -0.001 0.000 0.267 828 T C 1.932 176.644 174.700 0.020 0.000 1.036 828 T CA 2.021 64.162 62.100 0.070 0.000 1.148 828 T CB -0.606 68.347 68.868 0.142 0.000 0.863 828 T HN 0.469 nan 8.240 nan 0.000 0.436 829 T N 1.766 116.343 114.554 0.037 0.000 2.720 829 T HA -0.119 4.231 4.350 -0.001 0.000 0.268 829 T C 2.044 176.751 174.700 0.012 0.000 1.037 829 T CA 1.318 63.446 62.100 0.047 0.000 1.144 829 T CB -0.478 68.418 68.868 0.048 0.000 0.864 829 T HN 0.294 nan 8.240 nan 0.000 0.444 830 N N 0.466 119.131 118.700 -0.058 0.000 2.166 830 N HA -0.000 4.739 4.740 -0.001 0.000 0.186 830 N C 1.582 177.026 175.510 -0.109 0.000 1.019 830 N CA 0.813 53.803 53.050 -0.100 0.000 0.856 830 N CB -0.303 38.085 38.487 -0.166 0.000 0.993 830 N HN 0.213 nan 8.380 nan 0.000 0.426 831 L N -0.425 120.674 121.223 -0.207 0.000 2.131 831 L HA -0.021 4.318 4.340 -0.001 0.000 0.206 831 L C 2.124 178.934 176.870 -0.099 0.000 1.087 831 L CA 1.090 55.782 54.840 -0.247 0.000 0.767 831 L CB -0.633 41.200 42.059 -0.376 0.000 0.917 831 L HN 0.126 nan 8.230 nan 0.000 0.441 832 T N -0.177 114.427 114.554 0.084 0.000 2.684 832 T HA -0.205 4.145 4.350 -0.001 0.000 0.267 832 T C 1.896 176.753 174.700 0.261 0.000 1.036 832 T CA 1.496 63.746 62.100 0.251 0.000 1.148 832 T CB -0.288 68.701 68.868 0.202 0.000 0.863 832 T HN 0.189 nan 8.240 nan 0.000 0.436 833 L N -0.966 120.385 121.223 0.212 0.000 2.093 833 L HA -0.053 4.287 4.340 -0.001 0.000 0.208 833 L C 2.417 179.493 176.870 0.343 0.000 1.085 833 L CA 1.251 56.268 54.840 0.295 0.000 0.755 833 L CB -0.456 41.772 42.059 0.281 0.000 0.904 833 L HN 0.418 nan 8.230 nan 0.000 0.435 834 W N 0.449 121.764 121.300 0.026 0.000 2.402 834 W HA -0.192 4.468 4.660 -0.001 0.000 0.286 834 W C 2.132 178.719 176.519 0.114 0.000 1.221 834 W CA 1.063 58.418 57.345 0.017 0.000 1.257 834 W CB -0.174 29.206 29.460 -0.134 0.000 1.120 834 W HN -0.026 nan 8.180 nan 0.000 0.551 835 F N 1.223 121.295 119.950 0.204 0.000 2.113 835 F HA -0.128 4.398 4.527 -0.001 0.000 0.297 835 F C 2.337 178.127 175.800 -0.016 0.000 1.103 835 F CA 1.951 59.951 58.000 -0.001 0.000 1.248 835 F CB -1.287 37.792 39.000 0.133 0.000 0.999 835 F HN -0.032 nan 8.300 nan 0.000 0.475 836 E N 0.119 120.484 120.200 0.276 0.000 2.058 836 E HA -0.271 4.079 4.350 -0.001 0.000 0.194 836 E C 2.180 178.843 176.600 0.105 0.000 0.997 836 E CA 1.515 58.022 56.400 0.179 0.000 0.801 836 E CB -0.276 29.541 29.700 0.196 0.000 0.746 836 E HN 0.310 nan 8.360 nan 0.000 0.450 837 K N 0.714 121.202 120.400 0.146 0.000 2.097 837 K HA -0.164 4.155 4.320 -0.001 0.000 0.206 837 K C 2.138 178.757 176.600 0.032 0.000 1.049 837 K CA 1.543 57.914 56.287 0.139 0.000 0.933 837 K CB -0.141 32.550 32.500 0.317 0.000 0.717 837 K HN 0.150 nan 8.250 nan 0.000 0.442 838 C N 0.572 119.818 119.300 -0.089 0.000 2.432 838 C HA -0.049 4.410 4.460 -0.001 0.000 0.277 838 C C 2.490 177.457 174.990 -0.039 0.000 1.249 838 C CA 0.435 59.373 59.018 -0.133 0.000 1.725 838 C CB -0.695 26.831 27.740 -0.357 0.000 2.028 838 C HN 0.495 nan 8.230 nan 0.000 0.477 839 I N 0.269 120.820 120.570 -0.031 0.000 2.072 839 I HA -0.174 3.996 4.170 -0.001 0.000 0.235 839 I C 2.491 178.571 176.117 -0.062 0.000 1.058 839 I CA 1.491 62.770 61.300 -0.036 0.000 1.320 839 I CB -0.761 37.229 38.000 -0.017 0.000 1.047 839 I HN 0.082 nan 8.210 nan 0.000 0.397 840 V N 0.700 120.576 119.914 -0.064 0.000 2.469 840 V HA -0.265 3.854 4.120 -0.001 0.000 0.251 840 V C 1.943 177.941 176.094 -0.159 0.000 1.064 840 V CA 1.808 64.033 62.300 -0.125 0.000 1.066 840 V CB -0.680 31.061 31.823 -0.137 0.000 0.667 840 V HN 0.435 nan 8.190 nan 0.000 0.461 841 E N -0.849 119.296 120.200 -0.091 0.000 2.476 841 E HA 0.019 4.368 4.350 -0.001 0.000 0.191 841 E C 0.309 176.843 176.600 -0.110 0.000 1.064 841 E CA -0.002 56.351 56.400 -0.078 0.000 0.866 841 E CB 0.152 29.873 29.700 0.035 0.000 0.952 841 E HN 0.441 nan 8.360 nan 0.000 0.492 842 T N 1.339 115.821 114.554 -0.119 0.000 3.145 842 T HA 0.118 4.468 4.350 -0.001 0.000 0.348 842 T C 0.673 175.244 174.700 -0.215 0.000 1.299 842 T CA -0.148 61.866 62.100 -0.143 0.000 1.037 842 T CB 0.632 69.484 68.868 -0.028 0.000 1.122 842 T HN 0.108 nan 8.240 nan 0.000 0.600 843 E N 1.775 121.797 120.200 -0.297 0.000 2.153 843 E HA -0.081 4.269 4.350 -0.001 0.000 0.194 843 E C 1.222 177.636 176.600 -0.311 0.000 0.988 843 E CA 0.456 56.560 56.400 -0.493 0.000 0.811 843 E CB 0.190 29.507 29.700 -0.639 0.000 0.746 843 E HN 0.468 nan 8.360 nan 0.000 0.466 844 N N 1.357 119.979 118.700 -0.131 0.000 2.442 844 N HA -0.060 4.679 4.740 -0.001 0.000 0.265 844 N C 0.853 176.341 175.510 -0.037 0.000 1.138 844 N CA -0.144 52.897 53.050 -0.016 0.000 0.956 844 N CB 1.185 39.647 38.487 -0.042 0.000 1.067 844 N HN 0.021 nan 8.380 nan 0.000 0.474 845 L N 4.971 126.192 121.223 -0.002 0.000 2.043 845 L HA -0.170 4.170 4.340 -0.001 0.000 0.212 845 L C 2.248 179.099 176.870 -0.032 0.000 1.075 845 L CA 1.901 56.725 54.840 -0.025 0.000 0.752 845 L CB -0.629 41.417 42.059 -0.022 0.000 0.891 845 L HN 0.746 nan 8.230 nan 0.000 0.432 846 E N -0.545 119.642 120.200 -0.021 0.000 2.031 846 E HA -0.261 4.088 4.350 -0.001 0.000 0.193 846 E C 1.971 178.570 176.600 -0.001 0.000 0.994 846 E CA 1.684 58.075 56.400 -0.015 0.000 0.800 846 E CB -0.165 29.530 29.700 -0.009 0.000 0.752 846 E HN 0.681 nan 8.360 nan 0.000 0.447 847 E N 0.200 120.408 120.200 0.013 0.000 2.110 847 E HA -0.211 4.138 4.350 -0.001 0.000 0.193 847 E C 2.313 178.956 176.600 0.072 0.000 0.988 847 E CA 0.723 57.173 56.400 0.083 0.000 0.804 847 E CB -0.183 29.558 29.700 0.067 0.000 0.745 847 E HN 0.168 nan 8.360 nan 0.000 0.458 848 R N 0.941 121.439 120.500 -0.004 0.000 2.096 848 R HA -0.125 4.215 4.340 -0.001 0.000 0.235 848 R C 2.237 178.487 176.300 -0.083 0.000 1.127 848 R CA 0.976 57.050 56.100 -0.043 0.000 0.968 848 R CB -0.061 30.186 30.300 -0.088 0.000 0.861 848 R HN 0.039 nan 8.270 nan 0.000 0.440 849 V N 0.929 120.792 119.914 -0.085 0.000 2.407 849 V HA -0.206 3.913 4.120 -0.001 0.000 0.248 849 V C 2.443 178.478 176.094 -0.097 0.000 1.055 849 V CA 1.830 64.057 62.300 -0.121 0.000 1.049 849 V CB -0.549 31.219 31.823 -0.092 0.000 0.662 849 V HN 0.510 nan 8.190 nan 0.000 0.455 850 A N -0.310 122.484 122.820 -0.044 0.000 1.902 850 A HA -0.142 4.178 4.320 -0.001 0.000 0.217 850 A C 2.386 179.942 177.584 -0.047 0.000 1.181 850 A CA 1.974 53.993 52.037 -0.030 0.000 0.623 850 A CB -0.587 18.425 19.000 0.020 0.000 0.818 850 A HN 0.333 nan 8.150 nan 0.000 0.443 851 V N -0.380 119.516 119.914 -0.031 0.000 2.307 851 V HA -0.205 3.915 4.120 -0.001 0.000 0.245 851 V C 2.536 178.569 176.094 -0.102 0.000 1.045 851 V CA 1.945 64.217 62.300 -0.047 0.000 1.024 851 V CB -0.647 31.178 31.823 0.003 0.000 0.651 851 V HN 0.365 nan 8.190 nan 0.000 0.449 852 V N -0.707 119.121 119.914 -0.142 0.000 2.626 852 V HA -0.216 3.904 4.120 -0.001 0.000 0.252 852 V C 2.565 178.555 176.094 -0.174 0.000 1.067 852 V CA 2.108 64.288 62.300 -0.201 0.000 1.081 852 V CB -0.429 31.174 31.823 -0.366 0.000 0.686 852 V HN 0.552 nan 8.190 nan 0.000 0.468 853 S N -0.584 115.029 115.700 -0.146 0.000 2.357 853 S HA -0.125 4.344 4.470 -0.001 0.000 0.221 853 S C 2.240 176.767 174.600 -0.122 0.000 1.031 853 S CA 0.933 59.060 58.200 -0.120 0.000 0.982 853 S CB -0.144 62.996 63.200 -0.099 0.000 0.853 853 S HN 0.435 nan 8.310 nan 0.000 0.458 854 R N 1.060 121.486 120.500 -0.122 0.000 2.081 854 R HA 0.030 4.369 4.340 -0.001 0.000 0.235 854 R C 2.201 178.404 176.300 -0.161 0.000 1.131 854 R CA 1.175 57.196 56.100 -0.132 0.000 0.960 854 R CB -1.155 29.084 30.300 -0.101 0.000 0.856 854 R HN 0.508 nan 8.270 nan 0.000 0.436 855 I N 0.666 121.121 120.570 -0.191 0.000 2.208 855 I HA -0.280 3.889 4.170 -0.001 0.000 0.245 855 I C 2.297 178.258 176.117 -0.259 0.000 1.097 855 I CA 1.352 62.460 61.300 -0.320 0.000 1.363 855 I CB -0.337 37.406 38.000 -0.430 0.000 1.051 855 I HN 0.060 nan 8.210 nan 0.000 0.413 856 I N 0.428 120.897 120.570 -0.167 0.000 2.394 856 I HA -0.235 3.935 4.170 -0.001 0.000 0.251 856 I C 2.422 178.468 176.117 -0.118 0.000 1.136 856 I CA 1.306 62.542 61.300 -0.106 0.000 1.425 856 I CB -0.389 37.577 38.000 -0.056 0.000 1.079 856 I HN 0.263 nan 8.210 nan 0.000 0.425 857 E N 1.084 121.200 120.200 -0.140 0.000 2.051 857 E HA -0.192 4.158 4.350 -0.001 0.000 0.192 857 E C 2.318 178.796 176.600 -0.202 0.000 0.991 857 E CA 1.227 57.539 56.400 -0.146 0.000 0.799 857 E CB -0.058 29.553 29.700 -0.149 0.000 0.748 857 E HN 0.474 nan 8.360 nan 0.000 0.449 858 I N 1.005 121.416 120.570 -0.265 0.000 2.335 858 I HA -0.262 3.908 4.170 -0.001 0.000 0.251 858 I C 2.496 178.273 176.117 -0.567 0.000 1.129 858 I CA 0.522 61.552 61.300 -0.450 0.000 1.402 858 I CB -0.137 37.611 38.000 -0.421 0.000 1.069 858 I HN 0.152 nan 8.210 nan 0.000 0.424 859 L N 0.295 121.358 121.223 -0.267 0.000 2.093 859 L HA -0.223 4.117 4.340 -0.001 0.000 0.208 859 L C 2.486 179.338 176.870 -0.032 0.000 1.085 859 L CA 1.803 56.617 54.840 -0.042 0.000 0.755 859 L CB -0.713 41.351 42.059 0.009 0.000 0.904 859 L HN 0.210 nan 8.230 nan 0.000 0.435 860 Q N -0.588 119.161 119.800 -0.084 0.000 2.050 860 Q HA -0.168 4.172 4.340 -0.001 0.000 0.202 860 Q C 2.149 178.111 176.000 -0.063 0.000 0.980 860 Q CA 2.319 58.090 55.803 -0.054 0.000 0.840 860 Q CB -0.107 28.596 28.738 -0.059 0.000 0.898 860 Q HN 0.535 nan 8.270 nan 0.000 0.424 861 V N 0.604 120.435 119.914 -0.139 0.000 2.515 861 V HA -0.215 3.905 4.120 -0.001 0.000 0.250 861 V C 2.062 178.128 176.094 -0.048 0.000 1.058 861 V CA 1.197 63.422 62.300 -0.125 0.000 1.064 861 V CB -0.710 30.999 31.823 -0.191 0.000 0.675 861 V HN 0.227 nan 8.190 nan 0.000 0.461 862 F N 0.552 120.450 119.950 -0.088 0.000 2.102 862 F HA -0.152 4.375 4.527 -0.001 0.000 0.298 862 F C 2.640 178.338 175.800 -0.171 0.000 1.105 862 F CA 1.146 59.073 58.000 -0.122 0.000 1.239 862 F CB -0.973 37.969 39.000 -0.096 0.000 0.991 862 F HN 0.178 nan 8.300 nan 0.000 0.474 863 Q N 0.197 120.033 119.800 0.059 0.000 2.124 863 Q HA -0.208 4.131 4.340 -0.001 0.000 0.202 863 Q C 2.109 178.077 176.000 -0.053 0.000 0.977 863 Q CA 1.574 57.349 55.803 -0.048 0.000 0.850 863 Q CB -0.445 28.297 28.738 0.007 0.000 0.901 863 Q HN 0.562 nan 8.270 nan 0.000 0.429 864 E N 0.467 120.660 120.200 -0.012 0.000 2.047 864 E HA -0.104 4.246 4.350 -0.001 0.000 0.191 864 E C 1.900 178.511 176.600 0.018 0.000 0.987 864 E CA 0.643 57.044 56.400 0.001 0.000 0.799 864 E CB -0.030 29.670 29.700 -0.000 0.000 0.752 864 E HN 0.262 nan 8.360 nan 0.000 0.449 865 L N 0.663 121.906 121.223 0.033 0.000 2.610 865 L HA 0.011 4.350 4.340 -0.001 0.000 0.232 865 L C 0.117 177.049 176.870 0.102 0.000 1.149 865 L CA 0.187 55.090 54.840 0.106 0.000 0.872 865 L CB -0.612 41.487 42.059 0.067 0.000 0.992 865 L HN 0.246 nan 8.230 nan 0.000 0.447 866 N N 0.470 119.114 118.700 -0.092 0.000 2.725 866 N HA -0.222 4.517 4.740 -0.001 0.000 0.249 866 N C 0.102 175.334 175.510 -0.464 0.000 1.103 866 N CA 0.212 53.057 53.050 -0.341 0.000 0.707 866 N CB -0.935 37.526 38.487 -0.043 0.000 1.043 866 N HN 0.290 nan 8.380 nan 0.000 0.553 867 N N 0.717 119.195 118.700 -0.369 0.000 2.767 867 N HA 0.171 4.911 4.740 -0.001 0.000 0.238 867 N C 0.358 175.618 175.510 -0.417 0.000 1.083 867 N CA -0.243 52.621 53.050 -0.309 0.000 0.964 867 N CB -0.066 38.250 38.487 -0.285 0.000 1.252 867 N HN 0.116 nan 8.380 nan 0.000 0.512 868 F N 1.542 121.470 119.950 -0.036 0.000 2.234 868 F HA -0.039 4.487 4.527 -0.001 0.000 0.299 868 F C 2.151 177.906 175.800 -0.076 0.000 1.087 868 F CA 0.598 58.599 58.000 0.001 0.000 1.340 868 F CB -0.413 38.698 39.000 0.185 0.000 1.031 868 F HN 0.453 nan 8.300 nan 0.000 0.500 869 N N 0.451 119.176 118.700 0.043 0.000 2.084 869 N HA -0.123 4.617 4.740 -0.001 0.000 0.190 869 N C 2.171 177.613 175.510 -0.114 0.000 1.030 869 N CA 1.580 54.656 53.050 0.042 0.000 0.849 869 N CB -0.635 37.864 38.487 0.020 0.000 1.012 869 N HN 0.179 nan 8.380 nan 0.000 0.423 870 G N -0.476 108.067 108.800 -0.430 0.000 2.443 870 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.219 870 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.219 870 G C 1.496 176.130 174.900 -0.444 0.000 1.131 870 G CA 0.782 45.334 45.100 -0.913 0.000 0.775 870 G HN 0.240 nan 8.290 nan 0.000 0.547 871 V N 0.935 120.731 119.914 -0.197 0.000 2.255 871 V HA -0.049 4.071 4.120 -0.001 0.000 0.243 871 V C 2.804 178.922 176.094 0.040 0.000 1.038 871 V CA 1.249 63.572 62.300 0.039 0.000 1.008 871 V CB -0.375 31.486 31.823 0.063 0.000 0.645 871 V HN 0.336 nan 8.190 nan 0.000 0.449 872 L N -0.220 120.987 121.223 -0.026 0.000 2.353 872 L HA -0.174 4.166 4.340 -0.001 0.000 0.220 872 L C 2.408 179.281 176.870 0.005 0.000 1.133 872 L CA 1.259 56.047 54.840 -0.086 0.000 0.798 872 L CB -0.555 41.310 42.059 -0.324 0.000 0.922 872 L HN 0.462 nan 8.230 nan 0.000 0.445 873 E N 0.059 120.300 120.200 0.069 0.000 2.047 873 E HA -0.167 4.183 4.350 -0.001 0.000 0.191 873 E C 2.226 178.990 176.600 0.274 0.000 0.987 873 E CA 1.220 57.724 56.400 0.173 0.000 0.799 873 E CB 0.206 30.017 29.700 0.185 0.000 0.752 873 E HN 0.243 nan 8.360 nan 0.000 0.449 874 V N 0.153 120.217 119.914 0.250 0.000 2.323 874 V HA -0.194 3.925 4.120 -0.001 0.000 0.244 874 V C 2.321 178.487 176.094 0.119 0.000 1.041 874 V CA 1.110 63.503 62.300 0.154 0.000 1.025 874 V CB -0.244 31.607 31.823 0.047 0.000 0.656 874 V HN 0.167 nan 8.190 nan 0.000 0.451 875 V N 0.127 120.100 119.914 0.099 0.000 2.324 875 V HA -0.294 3.825 4.120 -0.001 0.000 0.250 875 V C 2.611 178.761 176.094 0.094 0.000 1.060 875 V CA 2.512 64.865 62.300 0.088 0.000 1.042 875 V CB -0.802 31.043 31.823 0.036 0.000 0.650 875 V HN 0.549 nan 8.190 nan 0.000 0.450 876 S N -0.228 115.522 115.700 0.082 0.000 2.368 876 S HA -0.153 4.317 4.470 -0.001 0.000 0.225 876 S C 2.200 176.880 174.600 0.133 0.000 1.030 876 S CA 1.387 59.638 58.200 0.085 0.000 0.999 876 S CB -0.451 62.797 63.200 0.080 0.000 0.844 876 S HN 0.672 nan 8.310 nan 0.000 0.459 877 A N 1.677 124.609 122.820 0.187 0.000 1.902 877 A HA -0.062 4.257 4.320 -0.001 0.000 0.217 877 A C 2.099 179.798 177.584 0.191 0.000 1.181 877 A CA 1.339 53.508 52.037 0.221 0.000 0.623 877 A CB -0.506 18.685 19.000 0.318 0.000 0.818 877 A HN 0.353 nan 8.150 nan 0.000 0.443 878 M N -0.038 119.667 119.600 0.175 0.000 2.159 878 M HA -0.117 4.362 4.480 -0.001 0.000 0.263 878 M C 1.215 177.624 176.300 0.181 0.000 1.063 878 M CA 1.351 56.768 55.300 0.195 0.000 1.110 878 M CB -1.767 30.935 32.600 0.170 0.000 1.374 878 M HN 0.519 nan 8.290 nan 0.000 0.411 879 N N 0.169 118.955 118.700 0.143 0.000 2.383 879 N HA 0.002 4.742 4.740 -0.001 0.000 0.192 879 N C 0.189 175.723 175.510 0.040 0.000 1.141 879 N CA -0.240 52.861 53.050 0.084 0.000 0.851 879 N CB 0.303 38.813 38.487 0.038 0.000 0.976 879 N HN 0.267 nan 8.380 nan 0.000 0.465 880 S N -1.039 114.729 115.700 0.113 0.000 2.593 880 S HA 0.167 4.636 4.470 -0.001 0.000 0.269 880 S C 1.341 176.030 174.600 0.149 0.000 1.334 880 S CA -0.679 57.587 58.200 0.110 0.000 1.015 880 S CB 1.570 64.856 63.200 0.143 0.000 0.912 880 S HN -0.023 nan 8.310 nan 0.000 0.541 881 S N 2.527 118.315 115.700 0.148 0.000 2.359 881 S HA -0.035 4.434 4.470 -0.001 0.000 0.224 881 S C -0.871 173.958 174.600 0.381 0.000 1.035 881 S CA 1.706 60.061 58.200 0.258 0.000 1.018 881 S CB -1.542 61.771 63.200 0.187 0.000 0.876 881 S HN 0.713 nan 8.310 nan 0.000 0.448 882 P HA 0.020 nan 4.420 nan 0.000 0.218 882 P C 1.293 178.646 177.300 0.088 0.000 1.149 882 P CA 0.725 63.913 63.100 0.148 0.000 0.817 882 P CB 0.019 31.777 31.700 0.096 0.000 0.785 883 V N -2.065 117.945 119.914 0.161 0.000 2.685 883 V HA -0.149 3.970 4.120 -0.001 0.000 0.244 883 V C 2.188 178.436 176.094 0.255 0.000 1.054 883 V CA 0.835 63.252 62.300 0.195 0.000 1.076 883 V CB -1.282 30.672 31.823 0.217 0.000 0.725 883 V HN -0.005 nan 8.190 nan 0.000 0.467 884 Y N 3.000 123.343 120.300 0.072 0.000 2.151 884 Y HA -0.302 4.248 4.550 -0.001 0.000 0.284 884 Y C 2.514 178.388 175.900 -0.044 0.000 1.166 884 Y CA 2.292 60.371 58.100 -0.034 0.000 1.163 884 Y CB -0.112 38.331 38.460 -0.029 0.000 0.974 884 Y HN 0.336 nan 8.280 nan 0.000 0.511 885 R N 0.207 120.734 120.500 0.044 0.000 2.319 885 R HA 0.147 4.487 4.340 -0.001 0.000 0.204 885 R C 0.198 176.461 176.300 -0.061 0.000 0.954 885 R CA 0.323 56.381 56.100 -0.070 0.000 1.066 885 R CB -0.736 29.584 30.300 0.033 0.000 0.991 885 R HN 0.300 nan 8.270 nan 0.000 0.486 886 L N 2.516 123.759 121.223 0.034 0.000 2.650 886 L HA 0.054 4.393 4.340 -0.001 0.000 0.239 886 L C 0.281 177.215 176.870 0.106 0.000 1.412 886 L CA -0.268 54.614 54.840 0.069 0.000 1.219 886 L CB -0.076 42.040 42.059 0.096 0.000 1.534 886 L HN 0.136 nan 8.230 nan 0.000 0.430 887 D N -0.337 120.038 120.400 -0.040 0.000 2.172 887 D HA -0.240 4.399 4.640 -0.001 0.000 0.196 887 D C 1.860 178.126 176.300 -0.058 0.000 0.999 887 D CA 1.558 55.503 54.000 -0.091 0.000 0.856 887 D CB 0.057 40.720 40.800 -0.229 0.000 0.934 887 D HN 0.469 nan 8.370 nan 0.000 0.453 888 H N 0.009 119.086 119.070 0.011 0.000 2.457 888 H HA -0.007 4.549 4.556 -0.001 0.000 0.294 888 H C 2.057 177.368 175.328 -0.028 0.000 1.064 888 H CA 1.335 57.379 56.048 -0.007 0.000 1.330 888 H CB -0.163 29.590 29.762 -0.014 0.000 1.395 888 H HN 0.165 nan 8.280 nan 0.000 0.541 889 T N 0.469 115.061 114.554 0.063 0.000 2.770 889 T HA -0.068 4.281 4.350 -0.001 0.000 0.258 889 T C 1.865 176.450 174.700 -0.192 0.000 1.039 889 T CA 0.722 62.757 62.100 -0.107 0.000 1.143 889 T CB -0.494 68.234 68.868 -0.233 0.000 0.866 889 T HN 0.142 nan 8.240 nan 0.000 0.428 890 F N 1.596 121.517 119.950 -0.047 0.000 2.333 890 F HA 0.009 4.536 4.527 -0.001 0.000 0.300 890 F C 2.415 178.186 175.800 -0.048 0.000 1.083 890 F CA 0.726 58.690 58.000 -0.059 0.000 1.395 890 F CB -0.401 38.543 39.000 -0.093 0.000 1.056 890 F HN 0.153 nan 8.300 nan 0.000 0.529 891 E N 0.755 121.012 120.200 0.094 0.000 2.058 891 E HA -0.234 4.116 4.350 -0.001 0.000 0.194 891 E C 1.595 178.211 176.600 0.027 0.000 0.997 891 E CA 1.544 57.976 56.400 0.053 0.000 0.801 891 E CB -0.238 29.495 29.700 0.056 0.000 0.746 891 E HN 0.439 nan 8.360 nan 0.000 0.450 892 Q N -0.363 119.440 119.800 0.004 0.000 2.282 892 Q HA 0.192 4.531 4.340 -0.001 0.000 0.205 892 Q C -0.325 175.654 176.000 -0.034 0.000 0.915 892 Q CA -0.180 55.614 55.803 -0.015 0.000 0.949 892 Q CB 0.349 29.074 28.738 -0.021 0.000 1.035 892 Q HN 0.334 nan 8.270 nan 0.000 0.484 893 I N 3.230 123.780 120.570 -0.032 0.000 2.342 893 I HA 0.178 4.348 4.170 -0.001 0.000 0.291 893 I C -1.916 174.197 176.117 -0.007 0.000 1.010 893 I CA -2.468 58.809 61.300 -0.039 0.000 1.308 893 I CB 1.063 39.033 38.000 -0.049 0.000 1.400 893 I HN -0.062 nan 8.210 nan 0.000 0.488 894 P HA -0.011 nan 4.420 nan 0.000 0.267 894 P C 0.370 177.672 177.300 0.003 0.000 1.195 894 P CA 0.136 63.232 63.100 -0.008 0.000 0.773 894 P CB 0.596 32.287 31.700 -0.016 0.000 0.837 895 S N 2.418 118.120 115.700 0.004 0.000 2.353 895 S HA -0.214 4.256 4.470 -0.001 0.000 0.222 895 S C 1.870 176.474 174.600 0.008 0.000 1.035 895 S CA 1.764 59.968 58.200 0.007 0.000 1.025 895 S CB -0.629 62.573 63.200 0.004 0.000 0.902 895 S HN 0.645 nan 8.310 nan 0.000 0.440 896 R N 1.661 122.163 120.500 0.003 0.000 2.103 896 R HA -0.143 4.197 4.340 -0.001 0.000 0.242 896 R C 2.094 178.397 176.300 0.005 0.000 1.142 896 R CA 1.811 57.913 56.100 0.002 0.000 0.960 896 R CB -0.596 29.702 30.300 -0.003 0.000 0.858 896 R HN 0.420 nan 8.270 nan 0.000 0.439 897 Q N 0.618 120.419 119.800 0.002 0.000 2.119 897 Q HA -0.060 4.280 4.340 -0.001 0.000 0.201 897 Q C 1.983 178.000 176.000 0.027 0.000 0.972 897 Q CA 1.544 57.349 55.803 0.004 0.000 0.847 897 Q CB 0.031 28.763 28.738 -0.010 0.000 0.903 897 Q HN 0.443 nan 8.270 nan 0.000 0.433 898 K N 0.538 120.959 120.400 0.036 0.000 2.147 898 K HA -0.146 4.174 4.320 -0.001 0.000 0.205 898 K C 1.906 178.525 176.600 0.032 0.000 1.049 898 K CA 1.003 57.321 56.287 0.052 0.000 0.936 898 K CB 0.102 32.629 32.500 0.045 0.000 0.722 898 K HN -0.078 nan 8.250 nan 0.000 0.446 899 K N 0.849 121.263 120.400 0.023 0.000 2.155 899 K HA 0.029 4.349 4.320 -0.001 0.000 0.203 899 K C 1.770 178.388 176.600 0.030 0.000 1.052 899 K CA 0.754 57.054 56.287 0.022 0.000 0.948 899 K CB 0.022 32.532 32.500 0.017 0.000 0.728 899 K HN 0.073 nan 8.250 nan 0.000 0.448 900 I N 0.153 120.739 120.570 0.028 0.000 2.226 900 I HA -0.252 3.917 4.170 -0.001 0.000 0.245 900 I C 1.973 178.117 176.117 0.046 0.000 1.100 900 I CA 0.705 62.024 61.300 0.031 0.000 1.374 900 I CB -0.147 37.862 38.000 0.016 0.000 1.057 900 I HN 0.111 nan 8.210 nan 0.000 0.413 901 L N 0.818 122.071 121.223 0.050 0.000 2.056 901 L HA -0.188 4.152 4.340 -0.001 0.000 0.207 901 L C 2.428 179.344 176.870 0.078 0.000 1.078 901 L CA 1.858 56.738 54.840 0.068 0.000 0.749 901 L CB -0.731 41.376 42.059 0.080 0.000 0.901 901 L HN 0.222 nan 8.230 nan 0.000 0.433 902 E N -0.545 119.687 120.200 0.053 0.000 2.077 902 E HA -0.300 4.049 4.350 -0.001 0.000 0.193 902 E C 2.083 178.737 176.600 0.089 0.000 0.989 902 E CA 1.369 57.800 56.400 0.052 0.000 0.800 902 E CB -0.152 29.557 29.700 0.015 0.000 0.746 902 E HN 0.679 nan 8.360 nan 0.000 0.452 903 E N -0.141 120.101 120.200 0.071 0.000 2.118 903 E HA -0.214 4.135 4.350 -0.001 0.000 0.195 903 E C 1.853 178.507 176.600 0.092 0.000 0.992 903 E CA 1.000 57.444 56.400 0.073 0.000 0.804 903 E CB -0.087 29.649 29.700 0.060 0.000 0.741 903 E HN 0.324 nan 8.360 nan 0.000 0.458 904 A N 0.170 123.049 122.820 0.098 0.000 1.872 904 A HA -0.198 4.121 4.320 -0.001 0.000 0.214 904 A C 1.946 179.586 177.584 0.094 0.000 1.187 904 A CA 1.739 53.838 52.037 0.103 0.000 0.614 904 A CB -0.883 18.176 19.000 0.097 0.000 0.826 904 A HN 0.514 nan 8.150 nan 0.000 0.442 905 H N 0.046 119.125 119.070 0.016 0.000 2.421 905 H HA -0.073 4.482 4.556 -0.001 0.000 0.298 905 H C 1.728 177.040 175.328 -0.027 0.000 1.087 905 H CA 1.857 57.896 56.048 -0.014 0.000 1.330 905 H CB -0.069 29.681 29.762 -0.020 0.000 1.388 905 H HN 0.595 nan 8.280 nan 0.000 0.526 906 E N 0.019 120.270 120.200 0.085 0.000 2.409 906 E HA -0.103 4.246 4.350 -0.001 0.000 0.198 906 E C 1.940 178.530 176.600 -0.016 0.000 1.024 906 E CA 0.505 56.927 56.400 0.037 0.000 0.861 906 E CB 0.080 29.825 29.700 0.075 0.000 0.788 906 E HN 0.557 nan 8.360 nan 0.000 0.521 907 L N 0.391 121.614 121.223 -0.000 0.000 2.141 907 L HA -0.157 4.182 4.340 -0.001 0.000 0.209 907 L C 2.253 179.127 176.870 0.006 0.000 1.094 907 L CA 0.893 55.777 54.840 0.072 0.000 0.763 907 L CB -0.111 42.046 42.059 0.164 0.000 0.908 907 L HN 0.088 nan 8.230 nan 0.000 0.437 908 S N -1.291 114.267 115.700 -0.237 0.000 2.414 908 S HA -0.052 4.418 4.470 -0.001 0.000 0.227 908 S C 0.635 174.895 174.600 -0.566 0.000 1.022 908 S CA 0.269 58.090 58.200 -0.632 0.000 0.958 908 S CB -0.259 62.510 63.200 -0.720 0.000 0.797 908 S HN 0.408 nan 8.310 nan 0.000 0.493 909 E N 1.868 121.871 120.200 -0.329 0.000 2.492 909 E HA -0.068 4.281 4.350 -0.001 0.000 0.266 909 E C -0.345 176.197 176.600 -0.097 0.000 1.047 909 E CA 0.317 56.604 56.400 -0.188 0.000 0.968 909 E CB 0.063 29.718 29.700 -0.075 0.000 0.960 909 E HN 0.176 nan 8.360 nan 0.000 0.452 910 D N 1.619 122.008 120.400 -0.018 0.000 2.751 910 D HA -0.229 4.411 4.640 -0.001 0.000 0.233 910 D C -0.672 175.753 176.300 0.209 0.000 1.149 910 D CA 1.116 55.178 54.000 0.103 0.000 0.682 910 D CB -1.169 39.664 40.800 0.055 0.000 1.068 910 D HN 0.697 nan 8.370 nan 0.000 0.429 911 H N -2.290 116.715 119.070 -0.109 0.000 2.882 911 H HA -0.236 4.320 4.556 -0.001 0.000 0.314 911 H C 0.108 175.487 175.328 0.085 0.000 1.270 911 H CA 0.809 56.827 56.048 -0.051 0.000 1.165 911 H CB -1.903 27.876 29.762 0.028 0.000 1.436 911 H HN 0.430 nan 8.280 nan 0.000 0.431 912 Y N -2.111 118.211 120.300 0.036 0.000 4.409 912 Y HA -0.345 4.204 4.550 -0.001 0.000 0.228 912 Y C 1.922 177.872 175.900 0.085 0.000 1.108 912 Y CA 1.575 59.704 58.100 0.049 0.000 1.955 912 Y CB -1.677 36.824 38.460 0.068 0.000 1.615 912 Y HN 0.498 nan 8.280 nan 0.000 0.665 913 K N 0.751 121.251 120.400 0.166 0.000 2.089 913 K HA -0.252 4.068 4.320 -0.001 0.000 0.210 913 K C 1.825 178.469 176.600 0.073 0.000 1.048 913 K CA 2.164 58.513 56.287 0.102 0.000 0.926 913 K CB -0.100 32.439 32.500 0.065 0.000 0.714 913 K HN 0.497 nan 8.250 nan 0.000 0.448 914 K N -0.843 119.605 120.400 0.080 0.000 2.103 914 K HA -0.159 4.160 4.320 -0.001 0.000 0.204 914 K C 2.119 178.749 176.600 0.050 0.000 1.052 914 K CA 1.254 57.576 56.287 0.058 0.000 0.945 914 K CB -0.226 32.312 32.500 0.063 0.000 0.722 914 K HN 0.249 nan 8.250 nan 0.000 0.443 915 Y N 1.876 122.178 120.300 0.004 0.000 2.145 915 Y HA -0.166 4.384 4.550 -0.001 0.000 0.286 915 Y C 1.721 177.505 175.900 -0.193 0.000 1.145 915 Y CA 1.279 59.327 58.100 -0.086 0.000 1.148 915 Y CB -0.308 38.143 38.460 -0.016 0.000 0.981 915 Y HN -0.094 nan 8.280 nan 0.000 0.507 916 L N -0.027 121.039 121.223 -0.261 0.000 2.083 916 L HA -0.219 4.121 4.340 -0.001 0.000 0.209 916 L C 2.774 179.462 176.870 -0.304 0.000 1.083 916 L CA 1.168 55.796 54.840 -0.353 0.000 0.752 916 L CB -1.009 41.000 42.059 -0.083 0.000 0.899 916 L HN 0.408 nan 8.230 nan 0.000 0.433 917 A N 0.089 122.800 122.820 -0.182 0.000 1.898 917 A HA -0.227 4.093 4.320 -0.001 0.000 0.216 917 A C 2.393 179.885 177.584 -0.154 0.000 1.181 917 A CA 1.728 53.692 52.037 -0.122 0.000 0.620 917 A CB -0.359 18.609 19.000 -0.053 0.000 0.819 917 A HN 0.288 nan 8.150 nan 0.000 0.442 918 K N -0.416 119.866 120.400 -0.198 0.000 2.097 918 K HA 0.002 4.322 4.320 -0.001 0.000 0.205 918 K C 1.916 178.359 176.600 -0.262 0.000 1.050 918 K CA 0.942 57.135 56.287 -0.156 0.000 0.938 918 K CB -0.246 32.219 32.500 -0.058 0.000 0.718 918 K HN 0.461 nan 8.250 nan 0.000 0.442 919 L N 0.781 121.652 121.223 -0.588 0.000 2.012 919 L HA -0.232 4.108 4.340 -0.001 0.000 0.210 919 L C 2.491 179.227 176.870 -0.224 0.000 1.073 919 L CA 1.512 55.977 54.840 -0.624 0.000 0.748 919 L CB -0.237 41.278 42.059 -0.906 0.000 0.891 919 L HN 0.273 nan 8.230 nan 0.000 0.431 920 R N -0.578 119.823 120.500 -0.165 0.000 2.091 920 R HA -0.172 4.168 4.340 -0.001 0.000 0.238 920 R C 2.382 178.677 176.300 -0.008 0.000 1.136 920 R CA 1.733 57.811 56.100 -0.038 0.000 0.959 920 R CB -0.484 29.790 30.300 -0.044 0.000 0.856 920 R HN 0.473 nan 8.270 nan 0.000 0.437 921 S N 0.828 116.512 115.700 -0.026 0.000 2.507 921 S HA -0.054 4.415 4.470 -0.001 0.000 0.235 921 S C 0.915 175.534 174.600 0.032 0.000 0.988 921 S CA 0.181 58.384 58.200 0.005 0.000 0.944 921 S CB -0.559 62.643 63.200 0.002 0.000 0.762 921 S HN 0.255 nan 8.310 nan 0.000 0.526 922 I N -0.600 119.999 120.570 0.048 0.000 2.783 922 I HA 0.603 4.773 4.170 -0.001 0.000 0.312 922 I C -0.526 175.643 176.117 0.086 0.000 0.988 922 I CA -1.292 60.056 61.300 0.081 0.000 1.182 922 I CB 0.578 38.661 38.000 0.138 0.000 1.368 922 I HN -0.114 nan 8.210 nan 0.000 0.511 923 N N 3.114 121.859 118.700 0.075 0.000 2.417 923 N HA 0.501 5.240 4.740 -0.001 0.000 0.274 923 N C -2.427 173.118 175.510 0.058 0.000 0.987 923 N CA -1.333 51.755 53.050 0.062 0.000 0.912 923 N CB 0.908 39.416 38.487 0.036 0.000 1.177 923 N HN 0.589 nan 8.380 nan 0.000 0.490 924 P HA 0.034 nan 4.420 nan 0.000 0.271 924 P C -2.454 174.805 177.300 -0.069 0.000 1.233 924 P CA -0.635 62.486 63.100 0.034 0.000 0.795 924 P CB -0.344 31.411 31.700 0.091 0.000 0.936 925 P HA 0.111 nan 4.420 nan 0.000 0.272 925 P C -0.457 176.693 177.300 -0.250 0.000 1.240 925 P CA 0.027 62.909 63.100 -0.364 0.000 0.791 925 P CB 0.443 31.584 31.700 -0.932 0.000 0.978 926 C N -1.978 117.278 119.300 -0.073 0.000 3.253 926 C HA 0.519 4.979 4.460 -0.001 0.000 0.342 926 C C -1.113 173.949 174.990 0.118 0.000 1.306 926 C CA -0.765 58.333 59.018 0.133 0.000 1.207 926 C CB 0.847 28.668 27.740 0.135 0.000 1.479 926 C HN 0.320 nan 8.230 nan 0.000 0.469 927 V N 3.155 123.119 119.914 0.084 0.000 2.284 927 V HA 0.503 4.622 4.120 -0.001 0.000 0.274 927 V C -1.884 174.133 176.094 -0.128 0.000 1.023 927 V CA -0.907 61.315 62.300 -0.130 0.000 0.808 927 V CB 1.150 32.934 31.823 -0.065 0.000 1.035 927 V HN 0.881 nan 8.190 nan 0.000 0.445 928 P HA 0.141 nan 4.420 nan 0.000 0.274 928 P C -0.574 176.669 177.300 -0.095 0.000 1.246 928 P CA -0.402 62.594 63.100 -0.174 0.000 0.795 928 P CB 0.940 32.429 31.700 -0.352 0.000 1.006 929 F N 1.833 121.698 119.950 -0.142 0.000 2.445 929 F HA 0.175 4.702 4.527 -0.001 0.000 0.359 929 F C 0.829 176.517 175.800 -0.186 0.000 1.101 929 F CA -0.651 57.199 58.000 -0.249 0.000 1.177 929 F CB -0.015 38.616 39.000 -0.615 0.000 1.110 929 F HN 0.146 nan 8.300 nan 0.000 0.522 930 F N 4.491 123.978 119.950 -0.772 0.000 2.206 930 F HA 0.089 4.616 4.527 -0.001 0.000 0.298 930 F C 2.258 177.616 175.800 -0.736 0.000 1.090 930 F CA 1.627 59.340 58.000 -0.478 0.000 1.323 930 F CB -0.762 38.094 39.000 -0.239 0.000 1.028 930 F HN 0.635 nan 8.300 nan 0.000 0.492 931 G N 0.978 109.065 108.800 -1.188 0.000 2.556 931 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.220 931 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.220 931 G C 1.855 176.618 174.900 -0.228 0.000 1.156 931 G CA 1.583 46.298 45.100 -0.641 0.000 0.766 931 G HN 0.437 nan 8.290 nan 0.000 0.583 932 I N -0.640 119.748 120.570 -0.304 0.000 2.208 932 I HA -0.222 3.948 4.170 -0.001 0.000 0.245 932 I C 2.502 178.549 176.117 -0.117 0.000 1.097 932 I CA 1.103 62.297 61.300 -0.177 0.000 1.363 932 I CB -0.373 37.436 38.000 -0.317 0.000 1.051 932 I HN 0.123 nan 8.210 nan 0.000 0.413 933 Y N 0.914 121.173 120.300 -0.069 0.000 2.181 933 Y HA -0.181 4.368 4.550 -0.001 0.000 0.288 933 Y C 2.421 178.340 175.900 0.032 0.000 1.146 933 Y CA 1.082 59.162 58.100 -0.033 0.000 1.164 933 Y CB -0.842 37.531 38.460 -0.144 0.000 0.982 933 Y HN 0.073 nan 8.280 nan 0.000 0.515 934 L N -1.078 120.238 121.223 0.156 0.000 1.989 934 L HA -0.259 4.081 4.340 -0.001 0.000 0.211 934 L C 2.311 179.399 176.870 0.364 0.000 1.071 934 L CA 1.972 56.855 54.840 0.072 0.000 0.749 934 L CB -1.206 40.801 42.059 -0.086 0.000 0.890 934 L HN 0.163 nan 8.230 nan 0.000 0.431 935 T N -0.539 114.165 114.554 0.250 0.000 2.788 935 T HA -0.169 4.180 4.350 -0.001 0.000 0.268 935 T C 1.613 176.434 174.700 0.201 0.000 1.044 935 T CA 1.791 64.028 62.100 0.229 0.000 1.139 935 T CB -0.425 68.549 68.868 0.176 0.000 0.867 935 T HN 0.416 nan 8.240 nan 0.000 0.454 936 N N 0.404 119.214 118.700 0.183 0.000 2.216 936 N HA 0.079 4.818 4.740 -0.001 0.000 0.183 936 N C 1.774 177.389 175.510 0.175 0.000 1.017 936 N CA 0.752 53.898 53.050 0.161 0.000 0.861 936 N CB -0.154 38.422 38.487 0.149 0.000 0.986 936 N HN 0.318 nan 8.380 nan 0.000 0.428 937 I N 0.401 121.111 120.570 0.233 0.000 2.202 937 I HA -0.204 3.965 4.170 -0.001 0.000 0.242 937 I C 2.204 178.455 176.117 0.225 0.000 1.091 937 I CA 0.609 62.053 61.300 0.239 0.000 1.368 937 I CB -0.181 38.008 38.000 0.315 0.000 1.058 937 I HN 0.150 nan 8.210 nan 0.000 0.410 938 L N 1.200 122.597 121.223 0.291 0.000 2.012 938 L HA -0.242 4.098 4.340 -0.001 0.000 0.210 938 L C 2.402 179.315 176.870 0.071 0.000 1.073 938 L CA 2.006 56.918 54.840 0.120 0.000 0.748 938 L CB -0.559 41.549 42.059 0.081 0.000 0.891 938 L HN 0.067 nan 8.230 nan 0.000 0.431 939 K N -1.459 118.999 120.400 0.097 0.000 2.097 939 K HA -0.102 4.217 4.320 -0.001 0.000 0.205 939 K C 1.913 178.546 176.600 0.055 0.000 1.050 939 K CA 1.665 57.992 56.287 0.068 0.000 0.938 939 K CB -0.304 32.243 32.500 0.080 0.000 0.718 939 K HN 0.394 nan 8.250 nan 0.000 0.442 940 T N 1.354 115.949 114.554 0.068 0.000 2.746 940 T HA -0.129 4.221 4.350 -0.001 0.000 0.267 940 T C 1.551 176.270 174.700 0.032 0.000 1.039 940 T CA 1.320 63.450 62.100 0.050 0.000 1.142 940 T CB -0.081 68.822 68.868 0.058 0.000 0.866 940 T HN 0.317 nan 8.240 nan 0.000 0.444 941 E N 0.717 120.938 120.200 0.035 0.000 2.107 941 E HA -0.071 4.278 4.350 -0.001 0.000 0.191 941 E C 2.212 178.813 176.600 0.002 0.000 0.982 941 E CA 0.826 57.235 56.400 0.014 0.000 0.809 941 E CB -0.020 29.686 29.700 0.011 0.000 0.756 941 E HN 0.574 nan 8.360 nan 0.000 0.459 942 E N -0.136 120.065 120.200 0.001 0.000 2.318 942 E HA -0.011 4.338 4.350 -0.001 0.000 0.193 942 E C 1.768 178.369 176.600 0.001 0.000 0.998 942 E CA 0.424 56.819 56.400 -0.008 0.000 0.859 942 E CB 0.309 29.998 29.700 -0.018 0.000 0.812 942 E HN 0.192 nan 8.360 nan 0.000 0.492 943 G N 0.519 109.326 108.800 0.011 0.000 3.042 943 G HA2 0.008 3.967 3.960 -0.001 0.000 0.212 943 G HA3 0.008 3.967 3.960 -0.001 0.000 0.212 943 G C 0.349 175.254 174.900 0.009 0.000 1.166 943 G CA -0.173 44.934 45.100 0.012 0.000 0.767 943 G HN 0.003 nan 8.290 nan 0.000 0.546 944 N N 0.806 119.510 118.700 0.006 0.000 2.225 944 N HA 0.326 5.065 4.740 -0.001 0.000 0.298 944 N C -3.014 172.495 175.510 -0.002 0.000 1.076 944 N CA -1.034 52.017 53.050 0.003 0.000 0.792 944 N CB 2.981 41.470 38.487 0.003 0.000 1.498 944 N HN -0.088 nan 8.380 nan 0.000 0.474 945 P HA 0.106 nan 4.420 nan 0.000 0.269 945 P C -0.062 177.233 177.300 -0.008 0.000 1.215 945 P CA 0.126 63.222 63.100 -0.006 0.000 0.780 945 P CB 1.467 33.163 31.700 -0.007 0.000 0.898 946 E N -0.269 119.926 120.200 -0.009 0.000 2.385 946 E HA 0.126 4.476 4.350 -0.001 0.000 0.194 946 E C -0.032 176.557 176.600 -0.018 0.000 1.013 946 E CA 0.367 56.761 56.400 -0.010 0.000 0.866 946 E CB 0.420 30.117 29.700 -0.004 0.000 0.832 946 E HN 0.170 nan 8.360 nan 0.000 0.500 947 V N 1.379 121.284 119.914 -0.016 0.000 2.851 947 V HA 0.270 4.389 4.120 -0.001 0.000 0.307 947 V C -0.995 175.088 176.094 -0.018 0.000 1.129 947 V CA -0.669 61.618 62.300 -0.021 0.000 0.932 947 V CB 2.326 34.137 31.823 -0.021 0.000 1.024 947 V HN 0.037 nan 8.190 nan 0.000 0.426 948 L N 4.668 125.878 121.223 -0.021 0.000 2.317 948 L HA 0.632 4.972 4.340 -0.001 0.000 0.281 948 L C -0.252 176.602 176.870 -0.026 0.000 1.024 948 L CA -0.799 54.028 54.840 -0.022 0.000 0.810 948 L CB 1.690 43.736 42.059 -0.021 0.000 1.240 948 L HN 0.431 nan 8.230 nan 0.000 0.427 949 K N 4.148 124.531 120.400 -0.029 0.000 2.185 949 K HA 0.566 4.885 4.320 -0.001 0.000 0.269 949 K C -0.783 175.786 176.600 -0.052 0.000 0.987 949 K CA -0.742 55.527 56.287 -0.030 0.000 0.865 949 K CB 2.015 34.502 32.500 -0.023 0.000 1.090 949 K HN 0.407 nan 8.250 nan 0.000 0.450 950 R N 1.559 122.029 120.500 -0.051 0.000 2.533 950 R HA 0.216 4.556 4.340 -0.001 0.000 0.288 950 R C -0.290 175.987 176.300 -0.039 0.000 1.039 950 R CA -0.675 55.357 56.100 -0.113 0.000 0.909 950 R CB 0.907 31.152 30.300 -0.092 0.000 1.195 950 R HN 0.701 nan 8.270 nan 0.000 0.438 951 H N 1.065 120.135 119.070 0.001 0.000 2.781 951 H HA -0.241 4.315 4.556 -0.001 0.000 0.301 951 H C 1.028 176.357 175.328 0.000 0.000 1.124 951 H CA 1.670 57.719 56.048 0.002 0.000 1.154 951 H CB -0.904 28.860 29.762 0.004 0.000 1.355 951 H HN 1.120 nan 8.280 nan 0.000 0.385 952 G N -0.999 107.845 108.800 0.073 0.000 2.179 952 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.260 952 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.260 952 G C 0.229 175.150 174.900 0.035 0.000 0.977 952 G CA 0.561 45.688 45.100 0.046 0.000 0.641 952 G HN 0.372 nan 8.290 nan 0.000 0.533 953 K N 0.494 120.917 120.400 0.040 0.000 2.118 953 K HA 0.543 4.862 4.320 -0.001 0.000 0.254 953 K C -0.214 176.388 176.600 0.003 0.000 0.961 953 K CA -0.787 55.514 56.287 0.023 0.000 0.876 953 K CB 1.752 34.272 32.500 0.034 0.000 1.077 953 K HN 0.332 nan 8.250 nan 0.000 0.440 954 E N 2.745 122.941 120.200 -0.007 0.000 2.014 954 E HA 0.222 4.571 4.350 -0.001 0.000 0.275 954 E C -0.798 175.784 176.600 -0.031 0.000 0.997 954 E CA -0.294 56.095 56.400 -0.017 0.000 0.804 954 E CB 0.332 30.023 29.700 -0.015 0.000 1.090 954 E HN 0.307 nan 8.360 nan 0.000 0.401 955 L N 5.190 126.390 121.223 -0.037 0.000 2.309 955 L HA 0.480 4.820 4.340 -0.001 0.000 0.282 955 L C 0.186 177.023 176.870 -0.054 0.000 1.036 955 L CA -1.005 53.801 54.840 -0.057 0.000 0.806 955 L CB 1.329 43.350 42.059 -0.063 0.000 1.220 955 L HN 0.463 nan 8.230 nan 0.000 0.429 956 I N 2.852 123.381 120.570 -0.068 0.000 2.533 956 I HA -0.023 4.147 4.170 -0.001 0.000 0.284 956 I C 0.711 176.820 176.117 -0.014 0.000 1.109 956 I CA 0.015 61.280 61.300 -0.058 0.000 1.412 956 I CB 0.384 38.327 38.000 -0.095 0.000 1.396 956 I HN 0.586 nan 8.210 nan 0.000 0.543 957 N N 6.416 125.113 118.700 -0.004 0.000 2.406 957 N HA -0.057 4.683 4.740 -0.001 0.000 0.269 957 N C 0.395 175.939 175.510 0.057 0.000 1.210 957 N CA 0.354 53.417 53.050 0.021 0.000 0.966 957 N CB 0.118 38.605 38.487 -0.001 0.000 1.293 957 N HN 0.493 nan 8.380 nan 0.000 0.491 958 F N 2.838 122.763 119.950 -0.042 0.000 2.293 958 F HA -0.033 4.494 4.527 -0.001 0.000 0.297 958 F C 2.417 178.236 175.800 0.032 0.000 1.089 958 F CA 0.809 58.808 58.000 -0.002 0.000 1.377 958 F CB -0.266 38.730 39.000 -0.008 0.000 1.051 958 F HN 0.523 nan 8.300 nan 0.000 0.511 959 S N 0.429 116.159 115.700 0.050 0.000 2.380 959 S HA -0.347 4.123 4.470 -0.001 0.000 0.229 959 S C 2.341 176.889 174.600 -0.087 0.000 1.043 959 S CA 2.056 60.254 58.200 -0.003 0.000 1.038 959 S CB -0.638 62.585 63.200 0.039 0.000 0.872 959 S HN 0.568 nan 8.310 nan 0.000 0.456 960 K N -0.085 120.267 120.400 -0.081 0.000 2.057 960 K HA -0.127 4.193 4.320 -0.001 0.000 0.207 960 K C 2.268 178.794 176.600 -0.123 0.000 1.049 960 K CA 1.444 57.688 56.287 -0.071 0.000 0.931 960 K CB -0.166 32.308 32.500 -0.043 0.000 0.714 960 K HN 0.207 nan 8.250 nan 0.000 0.440 961 R N 0.445 120.800 120.500 -0.242 0.000 2.115 961 R HA 0.009 4.349 4.340 -0.001 0.000 0.230 961 R C 2.351 178.454 176.300 -0.328 0.000 1.111 961 R CA 1.183 57.103 56.100 -0.301 0.000 0.976 961 R CB -0.289 29.749 30.300 -0.436 0.000 0.870 961 R HN 0.247 nan 8.270 nan 0.000 0.445 962 R N 0.742 121.001 120.500 -0.401 0.000 2.075 962 R HA -0.058 4.281 4.340 -0.001 0.000 0.232 962 R C 1.552 177.807 176.300 -0.075 0.000 1.126 962 R CA 1.463 57.441 56.100 -0.203 0.000 0.963 962 R CB 0.036 30.275 30.300 -0.102 0.000 0.858 962 R HN 0.079 nan 8.270 nan 0.000 0.435 963 K N -0.188 120.175 120.400 -0.063 0.000 2.147 963 K HA -0.087 4.232 4.320 -0.001 0.000 0.205 963 K C 1.930 178.530 176.600 0.000 0.000 1.049 963 K CA 1.352 57.631 56.287 -0.013 0.000 0.936 963 K CB 0.100 32.599 32.500 -0.003 0.000 0.722 963 K HN 0.057 nan 8.250 nan 0.000 0.446 964 V N 1.031 120.936 119.914 -0.016 0.000 2.307 964 V HA -0.217 3.903 4.120 -0.001 0.000 0.245 964 V C 2.298 178.396 176.094 0.007 0.000 1.045 964 V CA 1.959 64.265 62.300 0.010 0.000 1.024 964 V CB -0.641 31.185 31.823 0.006 0.000 0.651 964 V HN 0.330 nan 8.190 nan 0.000 0.449 965 A N -0.218 122.595 122.820 -0.011 0.000 1.978 965 A HA -0.266 4.053 4.320 -0.001 0.000 0.220 965 A C 2.153 179.741 177.584 0.007 0.000 1.170 965 A CA 2.009 54.050 52.037 0.005 0.000 0.636 965 A CB -0.466 18.544 19.000 0.017 0.000 0.810 965 A HN 0.656 nan 8.150 nan 0.000 0.448 966 E N -0.332 119.873 120.200 0.009 0.000 2.072 966 E HA -0.122 4.228 4.350 -0.001 0.000 0.191 966 E C 1.841 178.440 176.600 -0.002 0.000 0.985 966 E CA 1.229 57.635 56.400 0.010 0.000 0.801 966 E CB -0.266 29.447 29.700 0.022 0.000 0.750 966 E HN 0.739 nan 8.360 nan 0.000 0.452 967 I N 0.666 121.242 120.570 0.009 0.000 2.252 967 I HA -0.222 3.947 4.170 -0.001 0.000 0.245 967 I C 2.465 178.508 176.117 -0.122 0.000 1.102 967 I CA 0.969 62.268 61.300 -0.001 0.000 1.385 967 I CB -0.419 37.625 38.000 0.074 0.000 1.064 967 I HN 0.070 nan 8.210 nan 0.000 0.414 968 T N 0.710 115.219 114.554 -0.075 0.000 2.684 968 T HA -0.145 4.204 4.350 -0.001 0.000 0.267 968 T C 1.935 176.565 174.700 -0.116 0.000 1.036 968 T CA 1.754 63.799 62.100 -0.093 0.000 1.148 968 T CB -0.693 68.163 68.868 -0.020 0.000 0.863 968 T HN 0.597 nan 8.240 nan 0.000 0.436 969 G N 0.710 109.466 108.800 -0.073 0.000 2.446 969 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.217 969 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.217 969 G C 1.376 176.203 174.900 -0.121 0.000 1.168 969 G CA 1.228 46.283 45.100 -0.073 0.000 0.771 969 G HN 0.604 nan 8.290 nan 0.000 0.551 970 E N 0.044 120.167 120.200 -0.128 0.000 2.085 970 E HA -0.129 4.221 4.350 -0.001 0.000 0.194 970 E C 2.499 178.991 176.600 -0.180 0.000 0.994 970 E CA 0.846 57.161 56.400 -0.141 0.000 0.801 970 E CB -0.210 29.475 29.700 -0.025 0.000 0.743 970 E HN 0.541 nan 8.360 nan 0.000 0.453 971 I N 0.827 121.197 120.570 -0.334 0.000 2.127 971 I HA -0.338 3.832 4.170 -0.001 0.000 0.241 971 I C 2.666 178.700 176.117 -0.137 0.000 1.075 971 I CA 1.509 62.593 61.300 -0.360 0.000 1.334 971 I CB -0.314 37.353 38.000 -0.555 0.000 1.040 971 I HN 0.224 nan 8.210 nan 0.000 0.405 972 Q N -0.150 119.557 119.800 -0.156 0.000 2.170 972 Q HA -0.292 4.047 4.340 -0.001 0.000 0.203 972 Q C 2.179 178.123 176.000 -0.094 0.000 0.976 972 Q CA 1.418 57.151 55.803 -0.116 0.000 0.858 972 Q CB -0.136 28.542 28.738 -0.100 0.000 0.907 972 Q HN 0.391 nan 8.270 nan 0.000 0.433 973 Q N -0.049 119.661 119.800 -0.150 0.000 2.084 973 Q HA -0.174 4.165 4.340 -0.001 0.000 0.202 973 Q C 1.000 176.897 176.000 -0.173 0.000 0.978 973 Q CA 1.604 57.276 55.803 -0.217 0.000 0.844 973 Q CB -0.180 28.337 28.738 -0.367 0.000 0.898 973 Q HN 0.453 nan 8.270 nan 0.000 0.426 974 Y N 0.360 120.688 120.300 0.048 0.000 2.632 974 Y HA -0.011 4.538 4.550 -0.001 0.000 0.301 974 Y C 1.403 177.432 175.900 0.216 0.000 1.172 974 Y CA 0.695 58.876 58.100 0.134 0.000 1.328 974 Y CB 0.022 38.594 38.460 0.187 0.000 1.016 974 Y HN 0.289 nan 8.280 nan 0.000 0.529 975 Q N -0.772 119.155 119.800 0.212 0.000 2.360 975 Q HA -0.012 4.327 4.340 -0.001 0.000 0.202 975 Q C 1.178 177.220 176.000 0.069 0.000 0.915 975 Q CA -0.024 55.851 55.803 0.120 0.000 0.943 975 Q CB 0.185 28.892 28.738 -0.052 0.000 1.064 975 Q HN 0.460 nan 8.270 nan 0.000 0.511 976 N N 0.952 119.680 118.700 0.047 0.000 2.085 976 N HA -0.078 4.662 4.740 -0.001 0.000 0.191 976 N C 0.503 176.022 175.510 0.015 0.000 1.058 976 N CA 0.867 53.924 53.050 0.012 0.000 0.849 976 N CB -0.195 38.283 38.487 -0.015 0.000 1.038 976 N HN 0.147 nan 8.380 nan 0.000 0.434 977 Q N 2.445 122.250 119.800 0.007 0.000 2.239 977 Q HA 0.104 4.443 4.340 -0.001 0.000 0.286 977 Q C -1.910 174.056 176.000 -0.056 0.000 1.102 977 Q CA -0.492 55.293 55.803 -0.029 0.000 0.936 977 Q CB 0.149 28.858 28.738 -0.049 0.000 1.127 977 Q HN 0.381 nan 8.270 nan 0.000 0.380 978 P HA 0.190 nan 4.420 nan 0.000 0.281 978 P C -0.986 176.263 177.300 -0.085 0.000 1.264 978 P CA -0.562 62.532 63.100 -0.011 0.000 0.824 978 P CB 0.711 32.428 31.700 0.029 0.000 1.092 979 Y N -0.488 119.833 120.300 0.036 0.000 2.316 979 Y HA 0.148 4.698 4.550 -0.001 0.000 0.331 979 Y C 1.132 177.043 175.900 0.019 0.000 1.083 979 Y CA -0.014 58.102 58.100 0.027 0.000 1.206 979 Y CB 0.625 39.100 38.460 0.025 0.000 1.195 979 Y HN 0.366 nan 8.280 nan 0.000 0.497 980 C N 7.717 127.106 119.300 0.148 0.000 2.615 980 C HA 0.554 5.014 4.460 -0.001 0.000 0.503 980 C C -0.661 174.394 174.990 0.108 0.000 1.039 980 C CA -0.571 58.504 59.018 0.094 0.000 1.226 980 C CB -2.875 24.896 27.740 0.053 0.000 1.447 980 C HN 0.643 nan 8.230 nan 0.000 0.572 981 L N 3.663 124.951 121.223 0.108 0.000 2.445 981 L HA 0.519 4.858 4.340 -0.001 0.000 0.262 981 L C -0.069 176.824 176.870 0.039 0.000 0.974 981 L CA -0.729 54.148 54.840 0.062 0.000 0.822 981 L CB 1.668 43.756 42.059 0.049 0.000 1.339 981 L HN 0.320 nan 8.230 nan 0.000 0.409 982 R N 1.160 121.669 120.500 0.014 0.000 2.389 982 R HA 0.426 4.766 4.340 -0.001 0.000 0.295 982 R C -0.780 175.524 176.300 0.007 0.000 1.075 982 R CA -0.396 55.713 56.100 0.015 0.000 1.005 982 R CB 1.177 31.483 30.300 0.010 0.000 0.987 982 R HN 0.371 nan 8.270 nan 0.000 0.452 983 V N 4.080 124.009 119.914 0.026 0.000 2.583 983 V HA 0.066 4.185 4.120 -0.001 0.000 0.287 983 V C 0.221 176.341 176.094 0.044 0.000 1.051 983 V CA 0.166 62.484 62.300 0.031 0.000 1.010 983 V CB 1.427 33.276 31.823 0.043 0.000 0.988 983 V HN 0.685 nan 8.190 nan 0.000 0.478 984 E N 3.009 123.236 120.200 0.045 0.000 2.149 984 E HA 0.305 4.655 4.350 -0.001 0.000 0.255 984 E C 0.842 177.517 176.600 0.125 0.000 0.888 984 E CA -0.143 56.308 56.400 0.085 0.000 0.742 984 E CB 1.638 31.347 29.700 0.015 0.000 1.164 984 E HN 0.703 nan 8.360 nan 0.000 0.422 985 S N 3.129 118.909 115.700 0.134 0.000 2.380 985 S HA -0.183 4.287 4.470 -0.001 0.000 0.229 985 S C 1.059 175.765 174.600 0.176 0.000 1.043 985 S CA 1.464 59.744 58.200 0.133 0.000 1.038 985 S CB 0.107 63.371 63.200 0.107 0.000 0.872 985 S HN 0.534 nan 8.310 nan 0.000 0.456 986 D N 1.151 121.697 120.400 0.243 0.000 2.123 986 D HA 0.035 4.675 4.640 -0.001 0.000 0.200 986 D C 1.917 178.482 176.300 0.443 0.000 0.976 986 D CA 0.799 54.996 54.000 0.328 0.000 0.831 986 D CB -0.312 40.725 40.800 0.396 0.000 0.974 986 D HN 0.367 nan 8.370 nan 0.000 0.469 987 I N 1.106 121.902 120.570 0.376 0.000 2.361 987 I HA -0.212 3.958 4.170 -0.001 0.000 0.251 987 I C 2.500 178.804 176.117 0.311 0.000 1.133 987 I CA 0.864 62.289 61.300 0.208 0.000 1.413 987 I CB -0.179 37.807 38.000 -0.023 0.000 1.073 987 I HN -0.048 nan 8.210 nan 0.000 0.424 988 K N 1.453 122.009 120.400 0.260 0.000 2.097 988 K HA -0.194 4.125 4.320 -0.001 0.000 0.205 988 K C 2.322 179.051 176.600 0.215 0.000 1.050 988 K CA 1.312 57.744 56.287 0.242 0.000 0.938 988 K CB -0.024 32.565 32.500 0.149 0.000 0.718 988 K HN 0.153 nan 8.250 nan 0.000 0.442 989 R N -0.452 120.162 120.500 0.190 0.000 2.115 989 R HA -0.096 4.243 4.340 -0.001 0.000 0.226 989 R C 2.192 178.554 176.300 0.103 0.000 1.100 989 R CA 1.106 57.284 56.100 0.130 0.000 0.980 989 R CB -0.268 30.102 30.300 0.117 0.000 0.875 989 R HN 0.218 nan 8.270 nan 0.000 0.445 990 F N 0.097 120.040 119.950 -0.012 0.000 2.075 990 F HA -0.190 4.337 4.527 -0.001 0.000 0.297 990 F C 1.329 176.929 175.800 -0.333 0.000 1.113 990 F CA 1.591 59.487 58.000 -0.173 0.000 1.218 990 F CB -0.265 38.600 39.000 -0.226 0.000 0.984 990 F HN -0.070 nan 8.300 nan 0.000 0.472 991 F N 0.522 120.464 119.950 -0.014 0.000 2.502 991 F HA -0.005 4.521 4.527 -0.001 0.000 0.298 991 F C 2.372 178.071 175.800 -0.168 0.000 1.111 991 F CA 1.138 59.010 58.000 -0.214 0.000 1.445 991 F CB -0.791 38.186 39.000 -0.039 0.000 1.081 991 F HN 0.092 nan 8.300 nan 0.000 0.558 992 E N -0.078 120.156 120.200 0.057 0.000 2.230 992 E HA -0.084 4.265 4.350 -0.001 0.000 0.192 992 E C 1.212 177.779 176.600 -0.055 0.000 0.987 992 E CA 0.580 57.005 56.400 0.041 0.000 0.841 992 E CB 0.071 29.802 29.700 0.052 0.000 0.783 992 E HN 0.211 nan 8.360 nan 0.000 0.481 993 N N 0.122 118.734 118.700 -0.147 0.000 2.270 993 N HA 0.088 4.828 4.740 -0.001 0.000 0.198 993 N C -0.290 175.050 175.510 -0.284 0.000 1.117 993 N CA 0.075 53.017 53.050 -0.180 0.000 0.845 993 N CB 0.427 38.825 38.487 -0.149 0.000 0.980 993 N HN 0.128 nan 8.380 nan 0.000 0.486 994 L N 1.102 122.086 121.223 -0.398 0.000 2.490 994 L HA 0.058 4.397 4.340 -0.001 0.000 0.274 994 L C 0.497 177.206 176.870 -0.268 0.000 1.201 994 L CA 0.214 54.773 54.840 -0.469 0.000 0.869 994 L CB 0.213 41.874 42.059 -0.664 0.000 1.123 994 L HN 0.015 nan 8.230 nan 0.000 0.484 995 N N 3.060 121.640 118.700 -0.199 0.000 2.716 995 N HA 0.260 5.000 4.740 -0.001 0.000 0.245 995 N C -2.011 173.425 175.510 -0.122 0.000 1.495 995 N CA -1.103 51.858 53.050 -0.150 0.000 0.759 995 N CB 0.937 39.347 38.487 -0.128 0.000 1.261 995 N HN 0.113 nan 8.380 nan 0.000 0.515 996 P HA -0.124 nan 4.420 nan 0.000 0.215 996 P C 1.377 178.423 177.300 -0.423 0.000 1.157 996 P CA 1.365 64.442 63.100 -0.039 0.000 0.874 996 P CB 0.235 31.976 31.700 0.068 0.000 0.790 997 M N -1.963 117.188 119.600 -0.748 0.000 2.374 997 M HA 0.015 4.495 4.480 -0.001 0.000 0.264 997 M C 1.535 177.593 176.300 -0.405 0.000 1.067 997 M CA 1.216 55.909 55.300 -1.012 0.000 1.103 997 M CB -0.985 31.192 32.600 -0.704 0.000 1.402 997 M HN 0.064 nan 8.290 nan 0.000 0.444 998 G N 1.339 110.000 108.800 -0.231 0.000 2.591 998 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.298 998 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.298 998 G C 0.369 175.211 174.900 -0.098 0.000 1.195 998 G CA 0.591 45.622 45.100 -0.116 0.000 0.989 998 G HN 0.483 nan 8.290 nan 0.000 0.551 999 N N 1.366 120.029 118.700 -0.061 0.000 2.236 999 N HA 0.244 4.984 4.740 -0.001 0.000 0.196 999 N C 0.611 176.105 175.510 -0.028 0.000 1.114 999 N CA 0.808 53.833 53.050 -0.042 0.000 0.859 999 N CB 0.504 38.975 38.487 -0.025 0.000 0.982 999 N HN 0.491 nan 8.380 nan 0.000 0.493 1000 S N 1.229 116.914 115.700 -0.025 0.000 2.585 1000 S HA 0.275 4.745 4.470 -0.001 0.000 0.273 1000 S C 0.761 175.374 174.600 0.021 0.000 1.339 1000 S CA -0.353 57.862 58.200 0.024 0.000 1.028 1000 S CB 1.000 64.262 63.200 0.104 0.000 0.906 1000 S HN 0.043 nan 8.310 nan 0.000 0.528 1001 M N 1.875 121.506 119.600 0.052 0.000 2.197 1001 M HA 0.250 4.730 4.480 -0.001 0.000 0.305 1001 M C 1.757 178.114 176.300 0.096 0.000 1.162 1001 M CA -0.339 54.991 55.300 0.049 0.000 1.099 1001 M CB -0.125 32.502 32.600 0.045 0.000 1.430 1001 M HN 0.871 nan 8.290 nan 0.000 0.481 1002 E N 1.355 121.605 120.200 0.082 0.000 2.045 1002 E HA -0.287 4.062 4.350 -0.001 0.000 0.212 1002 E C 1.720 178.419 176.600 0.166 0.000 1.039 1002 E CA 2.421 58.895 56.400 0.123 0.000 0.860 1002 E CB -0.006 29.745 29.700 0.085 0.000 0.776 1002 E HN 0.585 nan 8.360 nan 0.000 0.467 1003 K N 0.566 121.033 120.400 0.112 0.000 2.074 1003 K HA -0.260 4.059 4.320 -0.001 0.000 0.209 1003 K C 2.203 178.875 176.600 0.120 0.000 1.048 1003 K CA 1.940 58.286 56.287 0.098 0.000 0.926 1003 K CB -0.187 32.350 32.500 0.061 0.000 0.713 1003 K HN 0.174 nan 8.250 nan 0.000 0.444 1004 E N -0.534 119.744 120.200 0.129 0.000 2.085 1004 E HA -0.221 4.129 4.350 -0.001 0.000 0.194 1004 E C 1.878 178.599 176.600 0.201 0.000 0.994 1004 E CA 1.311 57.793 56.400 0.138 0.000 0.801 1004 E CB -0.178 29.591 29.700 0.115 0.000 0.743 1004 E HN 0.388 nan 8.360 nan 0.000 0.453 1005 F N 1.145 121.149 119.950 0.089 0.000 2.128 1005 F HA -0.129 4.398 4.527 -0.001 0.000 0.295 1005 F C 2.385 178.302 175.800 0.195 0.000 1.100 1005 F CA 1.794 59.873 58.000 0.131 0.000 1.260 1005 F CB -0.610 38.443 39.000 0.087 0.000 1.009 1005 F HN -0.048 nan 8.300 nan 0.000 0.476 1006 T N 0.159 114.824 114.554 0.185 0.000 2.684 1006 T HA -0.209 4.141 4.350 -0.001 0.000 0.267 1006 T C 1.412 176.144 174.700 0.053 0.000 1.036 1006 T CA 1.831 63.986 62.100 0.090 0.000 1.148 1006 T CB -0.442 68.496 68.868 0.116 0.000 0.863 1006 T HN 0.224 nan 8.240 nan 0.000 0.436 1007 D N -0.081 120.369 120.400 0.083 0.000 2.144 1007 D HA -0.065 4.574 4.640 -0.001 0.000 0.199 1007 D C 1.636 178.000 176.300 0.106 0.000 0.984 1007 D CA 0.768 54.826 54.000 0.097 0.000 0.834 1007 D CB -0.412 40.442 40.800 0.090 0.000 0.955 1007 D HN 0.510 nan 8.370 nan 0.000 0.465 1008 Y N 1.320 121.583 120.300 -0.061 0.000 2.181 1008 Y HA -0.134 4.415 4.550 -0.001 0.000 0.288 1008 Y C 2.035 177.845 175.900 -0.150 0.000 1.146 1008 Y CA 1.268 59.305 58.100 -0.106 0.000 1.164 1008 Y CB -0.368 37.999 38.460 -0.154 0.000 0.982 1008 Y HN -0.088 nan 8.280 nan 0.000 0.515 1009 L N -1.230 119.815 121.223 -0.298 0.000 2.017 1009 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 1009 L C 2.348 179.096 176.870 -0.203 0.000 1.073 1009 L CA 1.733 56.369 54.840 -0.340 0.000 0.745 1009 L CB -0.826 41.106 42.059 -0.211 0.000 0.894 1009 L HN 0.262 nan 8.230 nan 0.000 0.432 1010 F N 1.188 121.032 119.950 -0.178 0.000 2.171 1010 F HA -0.187 4.340 4.527 -0.001 0.000 0.300 1010 F C 2.395 178.120 175.800 -0.126 0.000 1.090 1010 F CA 1.411 59.344 58.000 -0.112 0.000 1.293 1010 F CB -0.196 38.770 39.000 -0.055 0.000 1.013 1010 F HN 0.136 nan 8.300 nan 0.000 0.486 1011 N N 0.074 118.745 118.700 -0.049 0.000 2.396 1011 N HA -0.116 4.624 4.740 -0.001 0.000 0.180 1011 N C 1.785 177.148 175.510 -0.245 0.000 1.028 1011 N CA 0.599 53.584 53.050 -0.108 0.000 0.893 1011 N CB -0.211 38.261 38.487 -0.025 0.000 0.967 1011 N HN 0.216 nan 8.380 nan 0.000 0.440 1012 K N 0.710 120.883 120.400 -0.378 0.000 2.116 1012 K HA 0.074 4.394 4.320 -0.001 0.000 0.203 1012 K C 2.037 178.433 176.600 -0.340 0.000 1.052 1012 K CA 0.306 56.343 56.287 -0.417 0.000 0.952 1012 K CB -0.339 31.798 32.500 -0.606 0.000 0.729 1012 K HN 0.040 nan 8.250 nan 0.000 0.446 1013 S N 0.998 116.484 115.700 -0.358 0.000 2.368 1013 S HA -0.053 4.417 4.470 -0.001 0.000 0.225 1013 S C 2.041 176.449 174.600 -0.319 0.000 1.030 1013 S CA 0.832 58.829 58.200 -0.338 0.000 0.999 1013 S CB -0.103 62.850 63.200 -0.412 0.000 0.844 1013 S HN 0.235 nan 8.310 nan 0.000 0.459 1014 L N 1.115 122.112 121.223 -0.377 0.000 2.131 1014 L HA -0.055 4.284 4.340 -0.001 0.000 0.210 1014 L C 2.759 179.554 176.870 -0.126 0.000 1.092 1014 L CA 1.750 56.440 54.840 -0.250 0.000 0.759 1014 L CB -0.503 41.422 42.059 -0.223 0.000 0.903 1014 L HN 0.512 nan 8.230 nan 0.000 0.435 1015 E N 1.143 121.264 120.200 -0.132 0.000 2.107 1015 E HA -0.205 4.144 4.350 -0.001 0.000 0.191 1015 E C 2.173 178.773 176.600 0.000 0.000 0.982 1015 E CA 1.211 57.584 56.400 -0.046 0.000 0.809 1015 E CB 0.039 29.691 29.700 -0.079 0.000 0.756 1015 E HN 0.681 nan 8.360 nan 0.000 0.459 1016 I N -2.411 118.057 120.570 -0.170 0.000 3.226 1016 I HA 0.152 4.322 4.170 -0.001 0.000 0.277 1016 I C 0.104 176.223 176.117 0.003 0.000 1.243 1016 I CA 0.564 61.722 61.300 -0.236 0.000 1.459 1016 I CB 0.220 37.964 38.000 -0.428 0.000 1.093 1016 I HN -0.124 nan 8.210 nan 0.000 0.453 1017 E N 3.448 123.646 120.200 -0.005 0.000 3.074 1017 E HA 0.329 4.678 4.350 -0.001 0.000 0.287 1017 E C -2.539 174.073 176.600 0.021 0.000 1.194 1017 E CA -1.748 54.690 56.400 0.064 0.000 0.836 1017 E CB 1.300 31.042 29.700 0.070 0.000 1.468 1017 E HN 0.222 nan 8.360 nan 0.000 0.383 1018 P HA -0.014 nan 4.420 nan 0.000 0.269 1018 P C -0.117 177.192 177.300 0.015 0.000 1.217 1018 P CA -0.092 63.016 63.100 0.012 0.000 0.783 1018 P CB 0.825 32.543 31.700 0.029 0.000 0.898 1019 R N 2.016 122.517 120.500 0.002 0.000 2.585 1019 R HA -0.031 4.308 4.340 -0.001 0.000 0.275 1019 R C 1.657 177.965 176.300 0.013 0.000 1.018 1019 R CA -0.145 55.958 56.100 0.005 0.000 1.072 1019 R CB -0.221 30.086 30.300 0.011 0.000 0.953 1019 R HN 0.500 nan 8.270 nan 0.000 0.419 1020 N N 3.239 121.942 118.700 0.005 0.000 1.524 1020 N HA -0.264 4.475 4.740 -0.001 0.000 0.117 1020 N C -0.833 174.688 175.510 0.018 0.000 0.436 1020 N CA 2.479 55.533 53.050 0.008 0.000 0.787 1020 N CB -1.571 36.914 38.487 -0.003 0.000 0.665 1020 N HN 0.618 nan 8.380 nan 0.000 1.384 1021 P HA -0.087 nan 4.420 nan 0.000 0.221 1021 P C -0.478 176.830 177.300 0.014 0.000 1.145 1021 P CA 1.234 64.341 63.100 0.012 0.000 0.795 1021 P CB -0.022 31.683 31.700 0.008 0.000 0.775 1022 K N 2.709 123.120 120.400 0.018 0.000 2.276 1022 K HA 0.285 4.604 4.320 -0.001 0.000 0.285 1022 K C -2.081 174.534 176.600 0.025 0.000 1.062 1022 K CA -2.001 54.295 56.287 0.016 0.000 0.918 1022 K CB 0.067 32.577 32.500 0.016 0.000 1.055 1022 K HN 0.166 nan 8.250 nan 0.000 0.477 1023 P HA -0.067 nan 4.420 nan 0.000 0.269 1023 P C -0.525 176.773 177.300 -0.003 0.000 1.209 1023 P CA -0.496 62.606 63.100 0.004 0.000 0.776 1023 P CB 0.598 32.286 31.700 -0.019 0.000 0.876 1024 L N 5.834 127.046 121.223 -0.019 0.000 2.456 1024 L HA 0.254 4.594 4.340 -0.001 0.000 0.277 1024 L C -1.777 175.044 176.870 -0.083 0.000 1.124 1024 L CA -1.440 53.370 54.840 -0.050 0.000 0.880 1024 L CB -0.480 41.443 42.059 -0.227 0.000 1.192 1024 L HN 0.318 nan 8.230 nan 0.000 0.463 1025 P HA 0.260 nan 4.420 nan 0.000 0.277 1025 P C -1.042 176.079 177.300 -0.299 0.000 1.271 1025 P CA -0.512 62.444 63.100 -0.240 0.000 0.795 1025 P CB 0.733 32.210 31.700 -0.373 0.000 1.101 1026 R N -0.083 120.168 120.500 -0.415 0.000 2.604 1026 R HA 0.621 4.960 4.340 -0.001 0.000 0.287 1026 R C -0.626 175.358 176.300 -0.526 0.000 0.970 1026 R CA -0.436 55.492 56.100 -0.288 0.000 0.946 1026 R CB 0.903 31.099 30.300 -0.174 0.000 1.127 1026 R HN 0.393 nan 8.270 nan 0.000 0.473 1027 F N 1.840 121.745 119.950 -0.075 0.000 2.577 1027 F HA 0.436 4.963 4.527 -0.001 0.000 0.318 1027 F C -1.717 174.034 175.800 -0.080 0.000 1.065 1027 F CA -2.447 55.508 58.000 -0.075 0.000 0.929 1027 F CB 1.330 40.281 39.000 -0.082 0.000 1.237 1027 F HN 0.334 nan 8.300 nan 0.000 0.468 1028 P HA 0.106 nan 4.420 nan 0.000 0.272 1028 P C -1.017 176.269 177.300 -0.024 0.000 1.230 1028 P CA -0.450 62.657 63.100 0.012 0.000 0.788 1028 P CB 0.861 32.560 31.700 -0.001 0.000 0.949 1029 K N 1.292 121.659 120.400 -0.056 0.000 2.382 1029 K HA 0.014 4.333 4.320 -0.001 0.000 0.275 1029 K C 1.246 177.743 176.600 -0.171 0.000 1.009 1029 K CA 0.044 56.265 56.287 -0.109 0.000 0.970 1029 K CB 0.730 33.180 32.500 -0.084 0.000 0.934 1029 K HN 0.446 nan 8.250 nan 0.000 0.479 1030 K N 1.888 122.092 120.400 -0.326 0.000 2.262 1030 K HA 0.042 4.362 4.320 -0.001 0.000 0.200 1030 K C -0.344 175.997 176.600 -0.432 0.000 1.058 1030 K CA 0.379 56.403 56.287 -0.439 0.000 0.974 1030 K CB 0.339 32.406 32.500 -0.721 0.000 0.910 1030 K HN 0.401 nan 8.250 nan 0.000 0.484 1031 Y N 1.235 121.397 120.300 -0.230 0.000 2.313 1031 Y HA 0.115 4.664 4.550 -0.001 0.000 0.332 1031 Y C 0.838 176.461 175.900 -0.461 0.000 1.071 1031 Y CA -1.011 56.789 58.100 -0.501 0.000 1.169 1031 Y CB 1.655 39.683 38.460 -0.719 0.000 1.192 1031 Y HN 0.017 nan 8.280 nan 0.000 0.487 1032 S N 1.986 117.502 115.700 -0.305 0.000 2.573 1032 S HA 0.279 4.749 4.470 -0.001 0.000 0.244 1032 S C -0.698 173.874 174.600 -0.047 0.000 0.984 1032 S CA -0.439 57.683 58.200 -0.129 0.000 1.001 1032 S CB -1.146 62.036 63.200 -0.031 0.000 0.788 1032 S HN 0.522 nan 8.310 nan 0.000 0.456 1033 Y N -1.531 118.813 120.300 0.073 0.000 2.609 1033 Y HA 0.825 5.375 4.550 -0.001 0.000 0.342 1033 Y C -3.062 172.853 175.900 0.025 0.000 1.058 1033 Y CA -3.643 54.470 58.100 0.022 0.000 1.055 1033 Y CB -0.383 38.068 38.460 -0.014 0.000 1.292 1033 Y HN -0.126 nan 8.280 nan 0.000 0.476 1034 P HA 0.078 nan 4.420 nan 0.000 0.265 1034 P C -0.221 177.213 177.300 0.223 0.000 1.193 1034 P CA -0.007 63.194 63.100 0.168 0.000 0.765 1034 P CB 1.304 33.068 31.700 0.105 0.000 0.823 1035 L N 1.098 122.411 121.223 0.149 0.000 2.611 1035 L HA 0.199 4.538 4.340 -0.001 0.000 0.229 1035 L C 1.143 178.063 176.870 0.082 0.000 1.137 1035 L CA 0.284 55.201 54.840 0.128 0.000 0.901 1035 L CB -0.850 41.265 42.059 0.093 0.000 1.098 1035 L HN 0.252 nan 8.230 nan 0.000 0.456 1036 K N 0.576 121.029 120.400 0.088 0.000 2.339 1036 K HA 0.210 4.529 4.320 -0.001 0.000 0.286 1036 K C 0.311 176.926 176.600 0.024 0.000 1.050 1036 K CA 0.152 56.467 56.287 0.046 0.000 0.956 1036 K CB 0.790 33.321 32.500 0.050 0.000 0.990 1036 K HN 0.004 nan 8.250 nan 0.000 0.475 1037 S N 5.107 120.767 115.700 -0.066 0.000 2.548 1037 S HA 0.248 4.717 4.470 -0.001 0.000 0.277 1037 S C -1.430 173.026 174.600 -0.240 0.000 1.315 1037 S CA -1.303 56.776 58.200 -0.202 0.000 1.050 1037 S CB 0.518 63.606 63.200 -0.188 0.000 0.918 1037 S HN 0.663 nan 8.310 nan 0.000 0.497 1038 P HA 0.205 nan 4.420 nan 0.000 0.242 1038 P C 0.725 177.891 177.300 -0.223 0.000 1.197 1038 P CA 0.693 63.600 63.100 -0.321 0.000 0.765 1038 P CB -0.691 30.698 31.700 -0.519 0.000 0.936 1039 G N -0.760 107.888 108.800 -0.254 0.000 2.661 1039 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.685 1039 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.685 1039 G C 0.023 174.847 174.900 -0.127 0.000 1.298 1039 G CA -0.415 44.597 45.100 -0.146 0.000 0.855 1039 G HN -0.019 nan 8.290 nan 0.000 0.560 1040 V N 0.773 120.649 119.914 -0.063 0.000 3.660 1040 V HA 0.231 4.350 4.120 -0.001 0.000 0.276 1040 V C 1.469 177.569 176.094 0.009 0.000 1.317 1040 V CA 1.102 63.385 62.300 -0.028 0.000 1.097 1040 V CB -0.325 31.463 31.823 -0.058 0.000 0.863 1040 V HN 0.546 nan 8.190 nan 0.000 0.438 1041 R N 2.462 122.969 120.500 0.011 0.000 2.265 1041 R HA 0.340 4.680 4.340 -0.001 0.000 0.314 1041 R C -2.180 174.135 176.300 0.025 0.000 1.053 1041 R CA -1.477 54.630 56.100 0.011 0.000 0.931 1041 R CB 0.473 30.776 30.300 0.005 0.000 1.024 1041 R HN 0.237 nan 8.270 nan 0.000 0.457 1042 P HA -0.059 nan 4.420 nan 0.000 0.270 1042 P C 0.439 177.735 177.300 -0.007 0.000 1.223 1042 P CA -0.143 62.942 63.100 -0.025 0.000 0.785 1042 P CB 0.953 32.628 31.700 -0.041 0.000 0.923 1043 S N 1.623 117.314 115.700 -0.014 0.000 2.377 1043 S HA -0.150 4.320 4.470 -0.001 0.000 0.224 1043 S C 0.893 175.498 174.600 0.008 0.000 1.042 1043 S CA 0.993 59.197 58.200 0.008 0.000 1.086 1043 S CB -0.533 62.672 63.200 0.009 0.000 0.995 1043 S HN 0.628 nan 8.310 nan 0.000 0.428 1044 N N 0.000 118.701 118.700 0.002 0.000 1.763 1044 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 1044 N CA 0.000 53.053 53.050 0.005 0.000 0.885 1044 N CB 0.000 38.492 38.487 0.009 0.000 1.341 1044 N HN 0.000 nan 8.380 nan 0.000 0.667