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 2dw2_1_A DATA FIRST_RESID 195 DATA SEQUENCE NPFRFVELVL VVDKAMVTKN NGDLDKIKTR MYEIVNTVNE IYRYMYIHVA DATA SEQUENCE LVGLEIWSNE DKITVKPEAG YTLNAFGEWR KTDLLTRKKH DNAQLLTAID DATA SEQUENCE LDRVIGLAYV GSMcHPKRST GIIQDYSEIN LVVAVIMAHE MGHNLGINHD DATA SEQUENCE SGYcScGDYA cIMRPEISPE PSTFFSNcSY FECWDFIMNH NPEcILNEPL DATA SEQUENCE GTDIISPPVc GNELLEVGEE cDcGTPENcQ NEccDAATcK LKSGSQcGHG DATA SEQUENCE DccEQcKFSK SGTEcRASMS EcDPAEHcTG QSSEcPADVF HKNGQPcLDN DATA SEQUENCE YGYcYNGNcP IMYHQcYDLF GADVYEAEDS cFERNQKGNY YGYcRKENGN DATA SEQUENCE KIPcAPEDVK cGRLYcKDNS PGQNNPcKMF YSNEDEHKGM VLPGTKcADG DATA SEQUENCE KVcSNGHcVD VATAY 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 195 N HA 0.000 nan 4.740 nan 0.000 0.220 195 N C 0.000 175.598 175.510 0.146 0.000 1.280 195 N CA 0.000 53.162 53.050 0.186 0.000 0.885 195 N CB 0.000 38.652 38.487 0.275 0.000 1.341 196 P HA 0.195 nan 4.420 nan 0.000 0.222 196 P C 0.094 177.392 177.300 -0.003 0.000 1.157 196 P CA 0.294 63.335 63.100 -0.098 0.000 0.816 196 P CB 0.134 31.612 31.700 -0.370 0.000 0.813 197 F N 1.576 121.581 119.950 0.092 0.000 2.602 197 F HA 0.068 4.596 4.527 0.001 0.000 0.367 197 F C 1.551 177.262 175.800 -0.149 0.000 1.126 197 F CA 0.466 58.441 58.000 -0.042 0.000 1.321 197 F CB 0.373 39.243 39.000 -0.217 0.000 1.094 197 F HN -0.215 nan 8.300 nan 0.000 0.594 198 R N 2.535 123.017 120.500 -0.030 0.000 2.732 198 R HA 0.517 4.858 4.340 0.001 0.000 0.278 198 R C -1.534 174.579 176.300 -0.311 0.000 0.976 198 R CA -1.029 55.051 56.100 -0.034 0.000 0.963 198 R CB 1.540 31.861 30.300 0.035 0.000 1.150 198 R HN 0.404 nan 8.270 nan 0.000 0.478 199 F N 0.090 120.139 119.950 0.164 0.000 2.493 199 F HA 0.356 4.883 4.527 0.001 0.000 0.329 199 F C 0.171 176.012 175.800 0.068 0.000 1.126 199 F CA -1.002 57.083 58.000 0.142 0.000 0.937 199 F CB 1.732 40.815 39.000 0.139 0.000 1.146 199 F HN -0.047 nan 8.300 nan 0.000 0.442 200 V N 2.810 122.826 119.914 0.170 0.000 2.304 200 V HA 0.215 4.335 4.120 0.001 0.000 0.269 200 V C -0.107 176.057 176.094 0.117 0.000 1.036 200 V CA -0.877 61.474 62.300 0.086 0.000 0.840 200 V CB 0.549 32.349 31.823 -0.040 0.000 1.036 200 V HN 0.687 nan 8.190 nan 0.000 0.466 201 E N 4.163 124.441 120.200 0.131 0.000 2.029 201 E HA 0.245 4.595 4.350 0.001 0.000 0.276 201 E C -0.461 176.227 176.600 0.147 0.000 1.163 201 E CA -0.312 56.164 56.400 0.128 0.000 0.909 201 E CB 1.060 30.830 29.700 0.117 0.000 1.046 201 E HN 0.476 nan 8.360 nan 0.000 0.406 202 L N 3.802 125.100 121.223 0.125 0.000 2.343 202 L HA 0.432 4.772 4.340 0.001 0.000 0.275 202 L C -1.002 175.927 176.870 0.099 0.000 1.056 202 L CA -0.674 54.246 54.840 0.133 0.000 0.804 202 L CB 1.625 43.745 42.059 0.102 0.000 1.203 202 L HN 0.190 nan 8.230 nan 0.000 0.440 203 V N 5.582 125.547 119.914 0.086 0.000 2.531 203 V HA 0.449 4.569 4.120 0.001 0.000 0.301 203 V C -0.349 175.781 176.094 0.059 0.000 1.034 203 V CA -0.562 61.731 62.300 -0.013 0.000 0.865 203 V CB 1.700 33.342 31.823 -0.301 0.000 0.995 203 V HN 0.624 nan 8.190 nan 0.000 0.424 204 L N 4.935 126.183 121.223 0.041 0.000 2.307 204 L HA 0.684 5.024 4.340 0.001 0.000 0.284 204 L C -0.745 176.105 176.870 -0.034 0.000 1.023 204 L CA -0.745 54.108 54.840 0.022 0.000 0.810 204 L CB 2.070 44.132 42.059 0.005 0.000 1.231 204 L HN 0.372 nan 8.230 nan 0.000 0.423 205 V N 4.178 124.029 119.914 -0.105 0.000 2.495 205 V HA 0.429 4.549 4.120 0.001 0.000 0.298 205 V C -0.217 175.586 176.094 -0.485 0.000 1.031 205 V CA -0.653 61.449 62.300 -0.330 0.000 0.871 205 V CB 2.184 33.808 31.823 -0.332 0.000 0.988 205 V HN 0.387 nan 8.190 nan 0.000 0.432 206 V N 4.770 124.375 119.914 -0.515 0.000 2.409 206 V HA 0.374 4.494 4.120 0.001 0.000 0.291 206 V C -0.170 175.684 176.094 -0.400 0.000 1.020 206 V CA -0.788 61.287 62.300 -0.376 0.000 0.848 206 V CB 1.780 33.478 31.823 -0.208 0.000 0.990 206 V HN 1.035 nan 8.190 nan 0.000 0.430 207 D N 4.246 124.484 120.400 -0.269 0.000 2.398 207 D HA 0.071 4.711 4.640 0.001 0.000 0.247 207 D C 1.021 177.376 176.300 0.091 0.000 1.227 207 D CA -0.593 53.420 54.000 0.021 0.000 0.980 207 D CB 1.121 41.964 40.800 0.072 0.000 1.106 207 D HN 0.263 nan 8.370 nan 0.000 0.493 208 K N 0.698 121.205 120.400 0.178 0.000 2.063 208 K HA -0.123 4.197 4.320 0.001 0.000 0.208 208 K C 1.964 178.593 176.600 0.048 0.000 1.048 208 K CA 2.086 58.436 56.287 0.106 0.000 0.928 208 K CB -1.005 31.550 32.500 0.091 0.000 0.713 208 K HN 0.505 nan 8.250 nan 0.000 0.442 209 A N 0.621 123.464 122.820 0.038 0.000 1.917 209 A HA -0.220 4.101 4.320 0.001 0.000 0.219 209 A C 2.183 179.766 177.584 -0.002 0.000 1.182 209 A CA 2.083 54.127 52.037 0.013 0.000 0.633 209 A CB -0.541 18.464 19.000 0.009 0.000 0.819 209 A HN 0.345 nan 8.150 nan 0.000 0.448 210 M N -0.594 118.999 119.600 -0.013 0.000 2.117 210 M HA -0.116 4.364 4.480 0.001 0.000 0.262 210 M C 2.241 178.526 176.300 -0.025 0.000 1.065 210 M CA 1.354 56.635 55.300 -0.031 0.000 1.114 210 M CB -1.216 31.349 32.600 -0.059 0.000 1.361 210 M HN 0.279 nan 8.290 nan 0.000 0.408 211 V N -0.106 119.802 119.914 -0.010 0.000 2.295 211 V HA -0.252 3.869 4.120 0.001 0.000 0.246 211 V C 2.357 178.448 176.094 -0.005 0.000 1.049 211 V CA 2.159 64.456 62.300 -0.005 0.000 1.024 211 V CB -1.232 30.600 31.823 0.016 0.000 0.648 211 V HN 0.463 nan 8.190 nan 0.000 0.447 212 T N -0.390 114.165 114.554 0.001 0.000 2.720 212 T HA -0.272 4.078 4.350 0.001 0.000 0.268 212 T C 1.936 176.630 174.700 -0.010 0.000 1.037 212 T CA 1.872 63.970 62.100 -0.002 0.000 1.144 212 T CB -0.254 68.614 68.868 0.001 0.000 0.864 212 T HN 0.456 nan 8.240 nan 0.000 0.444 213 K N 1.218 121.609 120.400 -0.013 0.000 2.103 213 K HA -0.062 4.258 4.320 0.001 0.000 0.207 213 K C 1.395 177.981 176.600 -0.023 0.000 1.048 213 K CA 1.142 57.417 56.287 -0.019 0.000 0.930 213 K CB -0.046 32.440 32.500 -0.023 0.000 0.716 213 K HN 0.267 nan 8.250 nan 0.000 0.444 214 N N 1.452 120.137 118.700 -0.025 0.000 2.327 214 N HA 0.021 4.762 4.740 0.001 0.000 0.231 214 N C -0.815 174.681 175.510 -0.022 0.000 1.130 214 N CA 0.054 53.087 53.050 -0.028 0.000 0.845 214 N CB 0.365 38.830 38.487 -0.037 0.000 1.073 214 N HN 0.231 nan 8.380 nan 0.000 0.496 215 N N 0.406 119.096 118.700 -0.017 0.000 2.693 215 N HA -0.220 4.521 4.740 0.001 0.000 0.249 215 N C 0.957 176.461 175.510 -0.010 0.000 1.119 215 N CA 1.099 54.141 53.050 -0.013 0.000 0.717 215 N CB -1.444 37.034 38.487 -0.014 0.000 1.071 215 N HN 0.572 nan 8.380 nan 0.000 0.555 216 G N -0.093 108.702 108.800 -0.009 0.000 2.162 216 G HA2 -0.329 3.632 3.960 0.001 0.000 0.260 216 G HA3 -0.329 3.632 3.960 0.001 0.000 0.260 216 G C -0.238 174.657 174.900 -0.009 0.000 0.976 216 G CA 0.438 45.535 45.100 -0.005 0.000 0.655 216 G HN 0.590 nan 8.290 nan 0.000 0.533 217 D N 1.090 121.480 120.400 -0.017 0.000 2.508 217 D HA 0.364 5.004 4.640 0.001 0.000 0.224 217 D C 2.069 178.351 176.300 -0.031 0.000 1.171 217 D CA -0.390 53.597 54.000 -0.021 0.000 1.006 217 D CB -0.403 40.382 40.800 -0.025 0.000 1.073 217 D HN 0.320 nan 8.370 nan 0.000 0.513 218 L N 1.684 122.892 121.223 -0.025 0.000 2.079 218 L HA -0.158 4.182 4.340 0.001 0.000 0.210 218 L C 1.927 178.764 176.870 -0.056 0.000 1.081 218 L CA 1.210 56.030 54.840 -0.034 0.000 0.752 218 L CB -0.416 41.635 42.059 -0.013 0.000 0.896 218 L HN 0.331 nan 8.230 nan 0.000 0.433 219 D N 0.476 120.851 120.400 -0.042 0.000 2.123 219 D HA -0.240 4.401 4.640 0.001 0.000 0.196 219 D C 2.238 178.487 176.300 -0.085 0.000 0.992 219 D CA 1.427 55.398 54.000 -0.049 0.000 0.833 219 D CB 0.076 40.863 40.800 -0.021 0.000 0.954 219 D HN 0.099 nan 8.370 nan 0.000 0.455 220 K N -0.261 120.095 120.400 -0.072 0.000 2.057 220 K HA -0.062 4.258 4.320 0.001 0.000 0.206 220 K C 2.283 178.811 176.600 -0.119 0.000 1.050 220 K CA 0.861 57.099 56.287 -0.081 0.000 0.935 220 K CB -0.100 32.365 32.500 -0.057 0.000 0.715 220 K HN 0.264 nan 8.250 nan 0.000 0.439 221 I N 1.210 121.709 120.570 -0.119 0.000 2.179 221 I HA -0.324 3.847 4.170 0.001 0.000 0.242 221 I C 2.144 178.118 176.117 -0.238 0.000 1.088 221 I CA 1.461 62.677 61.300 -0.141 0.000 1.357 221 I CB -0.208 37.728 38.000 -0.107 0.000 1.051 221 I HN 0.163 nan 8.210 nan 0.000 0.409 222 K N 0.234 120.453 120.400 -0.302 0.000 2.026 222 K HA -0.142 4.178 4.320 0.001 0.000 0.208 222 K C 2.086 178.037 176.600 -1.080 0.000 1.048 222 K CA 1.952 57.868 56.287 -0.618 0.000 0.929 222 K CB -0.474 31.761 32.500 -0.441 0.000 0.713 222 K HN 0.284 nan 8.250 nan 0.000 0.439 223 T N 1.036 115.233 114.554 -0.595 0.000 2.684 223 T HA -0.190 4.160 4.350 0.001 0.000 0.267 223 T C 1.880 176.425 174.700 -0.259 0.000 1.036 223 T CA 1.368 63.247 62.100 -0.368 0.000 1.148 223 T CB -0.155 68.638 68.868 -0.124 0.000 0.863 223 T HN 0.272 nan 8.240 nan 0.000 0.436 224 R N 0.174 120.545 120.500 -0.215 0.000 2.075 224 R HA -0.040 4.301 4.340 0.001 0.000 0.232 224 R C 2.391 178.625 176.300 -0.111 0.000 1.126 224 R CA 1.178 57.204 56.100 -0.124 0.000 0.963 224 R CB -0.195 30.044 30.300 -0.103 0.000 0.858 224 R HN 0.256 nan 8.270 nan 0.000 0.435 225 M N -0.275 119.213 119.600 -0.186 0.000 2.149 225 M HA -0.197 4.283 4.480 0.001 0.000 0.261 225 M C 1.966 178.298 176.300 0.054 0.000 1.064 225 M CA 1.541 56.786 55.300 -0.092 0.000 1.102 225 M CB -1.171 31.354 32.600 -0.124 0.000 1.369 225 M HN 0.262 nan 8.290 nan 0.000 0.408 226 Y N 0.128 120.425 120.300 -0.005 0.000 2.145 226 Y HA -0.265 4.285 4.550 0.001 0.000 0.286 226 Y C 2.672 178.573 175.900 0.002 0.000 1.145 226 Y CA 1.081 59.181 58.100 -0.001 0.000 1.148 226 Y CB -0.467 37.991 38.460 -0.003 0.000 0.981 226 Y HN 0.361 nan 8.280 nan 0.000 0.507 227 E N 0.980 121.269 120.200 0.149 0.000 2.077 227 E HA -0.206 4.144 4.350 0.001 0.000 0.193 227 E C 2.021 178.655 176.600 0.056 0.000 0.989 227 E CA 1.293 57.741 56.400 0.079 0.000 0.800 227 E CB -0.213 29.509 29.700 0.038 0.000 0.746 227 E HN 0.479 nan 8.360 nan 0.000 0.452 228 I N 0.549 121.145 120.570 0.044 0.000 2.179 228 I HA -0.258 3.913 4.170 0.001 0.000 0.242 228 I C 2.349 178.501 176.117 0.059 0.000 1.088 228 I CA 0.831 62.152 61.300 0.034 0.000 1.357 228 I CB -0.169 37.841 38.000 0.017 0.000 1.051 228 I HN 0.071 nan 8.210 nan 0.000 0.409 229 V N 1.354 121.317 119.914 0.081 0.000 2.626 229 V HA -0.251 3.869 4.120 0.001 0.000 0.252 229 V C 2.232 178.382 176.094 0.093 0.000 1.067 229 V CA 1.881 64.237 62.300 0.094 0.000 1.081 229 V CB -1.052 30.834 31.823 0.105 0.000 0.686 229 V HN 0.568 nan 8.190 nan 0.000 0.468 230 N N 0.425 119.175 118.700 0.082 0.000 2.270 230 N HA -0.142 4.599 4.740 0.001 0.000 0.181 230 N C 1.660 177.210 175.510 0.067 0.000 1.016 230 N CA 1.873 54.964 53.050 0.069 0.000 0.870 230 N CB 0.128 38.649 38.487 0.056 0.000 0.979 230 N HN 0.476 nan 8.380 nan 0.000 0.431 231 T N 0.287 114.874 114.554 0.055 0.000 2.942 231 T HA 0.038 4.388 4.350 0.001 0.000 0.265 231 T C 2.032 176.772 174.700 0.066 0.000 1.062 231 T CA 0.429 62.550 62.100 0.035 0.000 1.139 231 T CB 0.013 68.882 68.868 0.001 0.000 0.883 231 T HN -0.001 nan 8.240 nan 0.000 0.468 232 V N 2.561 122.537 119.914 0.104 0.000 2.407 232 V HA -0.177 3.944 4.120 0.001 0.000 0.248 232 V C 2.469 178.737 176.094 0.291 0.000 1.055 232 V CA 1.739 64.153 62.300 0.189 0.000 1.049 232 V CB -0.690 31.249 31.823 0.194 0.000 0.662 232 V HN 0.472 nan 8.190 nan 0.000 0.455 233 N N 0.241 119.071 118.700 0.215 0.000 2.166 233 N HA -0.180 4.561 4.740 0.001 0.000 0.186 233 N C 1.776 177.444 175.510 0.263 0.000 1.019 233 N CA 1.666 54.864 53.050 0.245 0.000 0.856 233 N CB -0.062 38.528 38.487 0.173 0.000 0.993 233 N HN 0.614 nan 8.380 nan 0.000 0.426 234 E N 0.065 120.371 120.200 0.177 0.000 2.028 234 E HA -0.113 4.237 4.350 0.001 0.000 0.191 234 E C 2.001 178.697 176.600 0.161 0.000 0.988 234 E CA 1.063 57.550 56.400 0.144 0.000 0.799 234 E CB -0.174 29.564 29.700 0.063 0.000 0.755 234 E HN 0.433 nan 8.360 nan 0.000 0.447 235 I N 0.349 120.984 120.570 0.110 0.000 2.399 235 I HA -0.287 3.883 4.170 0.001 0.000 0.254 235 I C 1.654 177.876 176.117 0.173 0.000 1.146 235 I CA 1.325 62.646 61.300 0.035 0.000 1.412 235 I CB -0.183 37.753 38.000 -0.107 0.000 1.076 235 I HN 0.138 nan 8.210 nan 0.000 0.432 236 Y N -0.103 120.364 120.300 0.279 0.000 2.466 236 Y HA 0.066 4.616 4.550 0.001 0.000 0.272 236 Y C 2.365 178.411 175.900 0.243 0.000 1.169 236 Y CA 0.154 58.443 58.100 0.314 0.000 1.285 236 Y CB -0.194 38.404 38.460 0.230 0.000 1.078 236 Y HN 0.015 nan 8.280 nan 0.000 0.523 237 R N -0.452 120.264 120.500 0.359 0.000 2.091 237 R HA -0.283 4.057 4.340 0.001 0.000 0.238 237 R C 1.991 178.383 176.300 0.153 0.000 1.136 237 R CA 2.005 58.282 56.100 0.296 0.000 0.959 237 R CB -0.683 29.770 30.300 0.255 0.000 0.856 237 R HN 0.441 nan 8.270 nan 0.000 0.437 238 Y N 0.673 121.022 120.300 0.081 0.000 2.207 238 Y HA -0.171 4.379 4.550 0.001 0.000 0.287 238 Y C 1.611 177.555 175.900 0.074 0.000 1.156 238 Y CA 1.634 59.744 58.100 0.017 0.000 1.182 238 Y CB 0.020 38.561 38.460 0.136 0.000 0.979 238 Y HN 0.050 nan 8.280 nan 0.000 0.521 239 M N -0.704 118.980 119.600 0.140 0.000 2.633 239 M HA -0.038 4.443 4.480 0.001 0.000 0.226 239 M C -0.229 176.245 176.300 0.290 0.000 1.137 239 M CA 0.392 55.794 55.300 0.170 0.000 1.020 239 M CB -1.736 30.886 32.600 0.037 0.000 1.675 239 M HN 0.500 nan 8.290 nan 0.000 0.500 240 Y N -0.254 120.004 120.300 -0.071 0.000 3.491 240 Y HA -0.233 4.317 4.550 0.001 0.000 0.215 240 Y C 0.038 175.712 175.900 -0.378 0.000 1.219 240 Y CA 0.275 57.971 58.100 -0.673 0.000 1.485 240 Y CB -2.011 36.141 38.460 -0.513 0.000 1.450 240 Y HN 0.279 nan 8.280 nan 0.000 0.603 241 I N -0.335 120.290 120.570 0.091 0.000 2.689 241 I HA 0.404 4.574 4.170 0.001 0.000 0.299 241 I C 0.010 176.158 176.117 0.052 0.000 1.059 241 I CA -0.989 60.360 61.300 0.082 0.000 1.055 241 I CB 1.806 39.812 38.000 0.010 0.000 1.243 241 I HN -0.017 nan 8.210 nan 0.000 0.425 242 H N 3.957 123.058 119.070 0.052 0.000 2.569 242 H HA 0.619 5.175 4.556 0.001 0.000 0.357 242 H C -1.055 174.283 175.328 0.016 0.000 1.153 242 H CA -0.675 55.380 56.048 0.011 0.000 1.193 242 H CB 2.694 32.392 29.762 -0.107 0.000 1.602 242 H HN 0.143 nan 8.280 nan 0.000 0.523 243 V N 1.577 121.604 119.914 0.188 0.000 2.483 243 V HA 0.580 4.700 4.120 0.001 0.000 0.297 243 V C -0.183 175.982 176.094 0.118 0.000 1.027 243 V CA -0.812 61.548 62.300 0.100 0.000 0.855 243 V CB 1.367 33.210 31.823 0.033 0.000 0.995 243 V HN 0.912 nan 8.190 nan 0.000 0.424 244 A N 4.596 127.486 122.820 0.116 0.000 2.355 244 A HA 0.846 5.166 4.320 0.001 0.000 0.317 244 A C -0.997 176.628 177.584 0.068 0.000 1.094 244 A CA -0.660 51.427 52.037 0.083 0.000 0.764 244 A CB 1.419 20.469 19.000 0.084 0.000 1.230 244 A HN 0.847 nan 8.150 nan 0.000 0.448 245 L N 4.168 125.419 121.223 0.046 0.000 2.342 245 L HA 0.365 4.706 4.340 0.001 0.000 0.285 245 L C 0.958 177.844 176.870 0.026 0.000 1.095 245 L CA 0.309 55.178 54.840 0.048 0.000 0.843 245 L CB 0.962 43.057 42.059 0.060 0.000 1.201 245 L HN 0.741 nan 8.230 nan 0.000 0.445 246 V N 2.002 121.938 119.914 0.037 0.000 3.650 246 V HA 0.653 4.773 4.120 0.001 0.000 0.271 246 V C 0.682 176.784 176.094 0.014 0.000 1.281 246 V CA 0.589 62.903 62.300 0.024 0.000 1.120 246 V CB -0.450 31.400 31.823 0.045 0.000 0.856 246 V HN 0.775 nan 8.190 nan 0.000 0.443 247 G N 0.214 109.022 108.800 0.014 0.000 2.702 247 G HA2 0.579 4.539 3.960 0.001 0.000 0.296 247 G HA3 0.579 4.539 3.960 0.001 0.000 0.296 247 G C -2.281 172.635 174.900 0.028 0.000 1.463 247 G CA -0.543 44.561 45.100 0.006 0.000 0.890 247 G HN 0.350 nan 8.290 nan 0.000 0.534 248 L N 0.823 122.075 121.223 0.048 0.000 2.491 248 L HA 0.705 5.045 4.340 0.001 0.000 0.267 248 L C -0.602 176.292 176.870 0.039 0.000 0.971 248 L CA -0.740 54.130 54.840 0.051 0.000 0.857 248 L CB 1.907 44.030 42.059 0.107 0.000 1.226 248 L HN 0.674 nan 8.230 nan 0.000 0.408 249 E N 5.311 125.517 120.200 0.009 0.000 2.145 249 E HA 0.515 4.865 4.350 0.001 0.000 0.270 249 E C -1.298 175.238 176.600 -0.106 0.000 0.906 249 E CA -0.645 55.769 56.400 0.022 0.000 0.761 249 E CB 1.099 30.875 29.700 0.126 0.000 1.116 249 E HN 0.520 nan 8.360 nan 0.000 0.408 250 I N 4.881 125.438 120.570 -0.021 0.000 2.355 250 I HA 0.144 4.315 4.170 0.001 0.000 0.288 250 I C -0.477 175.715 176.117 0.125 0.000 0.999 250 I CA -0.692 60.585 61.300 -0.040 0.000 1.163 250 I CB 0.657 38.656 38.000 -0.003 0.000 1.316 250 I HN 0.695 nan 8.210 nan 0.000 0.454 251 W N 5.766 127.058 121.300 -0.014 0.000 1.438 251 W HA 0.132 4.792 4.660 0.001 0.000 0.455 251 W C 1.643 178.149 176.519 -0.021 0.000 0.656 251 W CA -0.583 56.747 57.345 -0.024 0.000 2.049 251 W CB -0.781 28.639 29.460 -0.067 0.000 1.683 251 W HN 0.644 nan 8.180 nan 0.000 0.228 252 S N -0.563 115.246 115.700 0.182 0.000 2.423 252 S HA -0.211 4.260 4.470 0.001 0.000 0.231 252 S C 1.403 176.050 174.600 0.079 0.000 1.014 252 S CA 1.305 59.566 58.200 0.101 0.000 0.965 252 S CB 0.064 63.305 63.200 0.069 0.000 0.785 252 S HN 0.289 nan 8.310 nan 0.000 0.495 253 N N 1.934 120.681 118.700 0.079 0.000 2.244 253 N HA 0.164 4.905 4.740 0.001 0.000 0.189 253 N C 0.294 175.812 175.510 0.013 0.000 1.047 253 N CA 1.114 54.187 53.050 0.037 0.000 0.870 253 N CB 0.079 38.583 38.487 0.027 0.000 1.041 253 N HN 0.820 nan 8.380 nan 0.000 0.448 254 E N -0.203 119.983 120.200 -0.023 0.000 2.356 254 E HA 0.331 4.682 4.350 0.001 0.000 0.275 254 E C -1.642 174.811 176.600 -0.244 0.000 0.904 254 E CA -0.864 55.481 56.400 -0.091 0.000 0.757 254 E CB 1.554 31.188 29.700 -0.109 0.000 1.232 254 E HN -0.087 nan 8.360 nan 0.000 0.442 255 D N 1.920 122.163 120.400 -0.262 0.000 2.382 255 D HA 0.050 4.690 4.640 0.001 0.000 0.245 255 D C 0.392 176.086 176.300 -1.010 0.000 1.120 255 D CA -0.019 53.617 54.000 -0.606 0.000 0.890 255 D CB 1.273 41.956 40.800 -0.194 0.000 1.201 255 D HN 0.418 nan 8.370 nan 0.000 0.433 256 K N 1.110 120.307 120.400 -2.006 0.000 2.459 256 K HA 0.114 4.435 4.320 0.001 0.000 0.193 256 K C 0.772 176.908 176.600 -0.774 0.000 1.030 256 K CA 0.443 55.987 56.287 -1.239 0.000 1.026 256 K CB 0.020 31.743 32.500 -1.294 0.000 0.809 256 K HN 0.508 nan 8.250 nan 0.000 0.504 257 I N -4.140 116.017 120.570 -0.689 0.000 3.191 257 I HA 0.286 4.456 4.170 0.001 0.000 0.313 257 I C -0.901 175.168 176.117 -0.080 0.000 1.193 257 I CA -1.118 60.053 61.300 -0.214 0.000 0.968 257 I CB 2.218 40.199 38.000 -0.031 0.000 1.262 257 I HN -0.371 nan 8.210 nan 0.000 0.456 258 T N 2.771 117.382 114.554 0.095 0.000 2.723 258 T HA 0.346 4.696 4.350 0.001 0.000 0.297 258 T C -0.044 174.786 174.700 0.217 0.000 0.925 258 T CA -0.297 61.883 62.100 0.135 0.000 1.030 258 T CB 0.690 69.659 68.868 0.168 0.000 0.905 258 T HN 0.369 nan 8.240 nan 0.000 0.502 259 V N 6.127 126.120 119.914 0.131 0.000 2.338 259 V HA 0.184 4.305 4.120 0.001 0.000 0.255 259 V C 0.627 176.776 176.094 0.091 0.000 1.082 259 V CA -0.350 62.032 62.300 0.138 0.000 0.951 259 V CB -0.581 31.307 31.823 0.108 0.000 1.102 259 V HN 0.701 nan 8.190 nan 0.000 0.489 260 K N 6.726 127.199 120.400 0.121 0.000 2.110 260 K HA 0.382 4.702 4.320 0.001 0.000 0.263 260 K C -1.526 175.097 176.600 0.039 0.000 0.975 260 K CA -1.836 54.464 56.287 0.021 0.000 0.895 260 K CB 1.499 33.931 32.500 -0.113 0.000 1.060 260 K HN 0.217 nan 8.250 nan 0.000 0.448 261 P HA -0.162 nan 4.420 nan 0.000 0.231 261 P C -0.117 177.192 177.300 0.015 0.000 1.158 261 P CA 0.978 64.082 63.100 0.007 0.000 0.763 261 P CB 0.307 32.004 31.700 -0.006 0.000 0.805 262 E N 0.688 120.903 120.200 0.026 0.000 1.941 262 E HA 0.240 4.590 4.350 0.001 0.000 0.275 262 E C 1.168 177.822 176.600 0.090 0.000 1.113 262 E CA -0.287 56.140 56.400 0.046 0.000 0.878 262 E CB 0.717 30.441 29.700 0.039 0.000 1.070 262 E HN -0.039 nan 8.360 nan 0.000 0.399 263 A N 4.720 127.570 122.820 0.049 0.000 1.881 263 A HA -0.266 4.054 4.320 0.001 0.000 0.219 263 A C 2.024 179.635 177.584 0.045 0.000 1.215 263 A CA 2.267 54.324 52.037 0.033 0.000 0.648 263 A CB -1.227 17.769 19.000 -0.006 0.000 0.832 263 A HN 0.714 nan 8.150 nan 0.000 0.455 264 G N -1.765 107.061 108.800 0.044 0.000 2.529 264 G HA2 -0.373 3.588 3.960 0.001 0.000 0.219 264 G HA3 -0.373 3.588 3.960 0.001 0.000 0.219 264 G C 1.574 176.525 174.900 0.085 0.000 1.177 264 G CA 1.566 46.691 45.100 0.041 0.000 0.773 264 G HN 0.702 nan 8.290 nan 0.000 0.573 265 Y N 1.651 121.970 120.300 0.032 0.000 2.128 265 Y HA -0.186 4.365 4.550 0.001 0.000 0.284 265 Y C 3.135 179.082 175.900 0.077 0.000 1.154 265 Y CA 2.496 60.629 58.100 0.054 0.000 1.149 265 Y CB -0.431 38.054 38.460 0.041 0.000 0.976 265 Y HN 0.210 nan 8.280 nan 0.000 0.505 266 T N 1.101 115.787 114.554 0.221 0.000 2.737 266 T HA -0.183 4.168 4.350 0.001 0.000 0.265 266 T C 1.757 176.522 174.700 0.109 0.000 1.038 266 T CA 1.391 63.588 62.100 0.163 0.000 1.144 266 T CB -0.648 68.316 68.868 0.160 0.000 0.866 266 T HN 0.323 nan 8.240 nan 0.000 0.434 267 L N 2.090 123.350 121.223 0.062 0.000 2.012 267 L HA -0.078 4.263 4.340 0.001 0.000 0.210 267 L C 2.091 179.053 176.870 0.154 0.000 1.073 267 L CA 1.911 56.786 54.840 0.058 0.000 0.748 267 L CB -0.948 41.016 42.059 -0.160 0.000 0.891 267 L HN 0.189 nan 8.230 nan 0.000 0.431 268 N N -0.537 118.217 118.700 0.090 0.000 2.084 268 N HA -0.174 4.566 4.740 0.001 0.000 0.190 268 N C 1.796 177.353 175.510 0.077 0.000 1.030 268 N CA 1.690 54.822 53.050 0.138 0.000 0.849 268 N CB -0.272 38.238 38.487 0.037 0.000 1.012 268 N HN 0.495 nan 8.380 nan 0.000 0.423 269 A N -0.445 122.340 122.820 -0.058 0.000 1.902 269 A HA -0.089 4.231 4.320 0.001 0.000 0.217 269 A C 2.101 179.820 177.584 0.224 0.000 1.181 269 A CA 1.122 53.139 52.037 -0.033 0.000 0.623 269 A CB -1.127 17.745 19.000 -0.212 0.000 0.818 269 A HN 0.492 nan 8.150 nan 0.000 0.443 270 F N 1.285 121.323 119.950 0.146 0.000 2.234 270 F HA 0.019 4.546 4.527 0.000 0.000 0.299 270 F C 2.199 178.215 175.800 0.361 0.000 1.087 270 F CA 1.034 59.204 58.000 0.283 0.000 1.340 270 F CB -0.662 38.462 39.000 0.207 0.000 1.031 270 F HN 0.184 nan 8.300 nan 0.000 0.500 271 G N -0.037 108.900 108.800 0.228 0.000 2.414 271 G HA2 -0.199 3.761 3.960 0.001 0.000 0.215 271 G HA3 -0.199 3.761 3.960 0.001 0.000 0.215 271 G C 1.560 176.503 174.900 0.072 0.000 1.188 271 G CA 0.648 45.834 45.100 0.143 0.000 0.783 271 G HN 0.300 nan 8.290 nan 0.000 0.537 272 E N -0.087 120.179 120.200 0.109 0.000 2.085 272 E HA -0.173 4.178 4.350 0.001 0.000 0.194 272 E C 2.022 178.674 176.600 0.087 0.000 0.994 272 E CA 0.966 57.414 56.400 0.080 0.000 0.801 272 E CB -0.374 29.376 29.700 0.082 0.000 0.743 272 E HN 0.669 nan 8.360 nan 0.000 0.453 273 W N 2.359 123.643 121.300 -0.027 0.000 2.363 273 W HA -0.156 4.505 4.660 0.000 0.000 0.296 273 W C 2.404 178.892 176.519 -0.052 0.000 1.212 273 W CA 1.716 59.054 57.345 -0.011 0.000 1.260 273 W CB -0.133 29.367 29.460 0.067 0.000 1.131 273 W HN -0.069 nan 8.180 nan 0.000 0.530 274 R N 1.025 121.411 120.500 -0.189 0.000 2.075 274 R HA -0.181 4.159 4.340 0.001 0.000 0.232 274 R C 2.324 178.472 176.300 -0.254 0.000 1.126 274 R CA 1.826 57.727 56.100 -0.332 0.000 0.963 274 R CB -0.659 29.509 30.300 -0.220 0.000 0.858 274 R HN 0.192 nan 8.270 nan 0.000 0.435 275 K N 0.072 120.380 120.400 -0.153 0.000 2.097 275 K HA -0.092 4.228 4.320 0.001 0.000 0.205 275 K C 1.573 178.092 176.600 -0.136 0.000 1.050 275 K CA 1.842 58.057 56.287 -0.120 0.000 0.938 275 K CB -0.007 32.458 32.500 -0.059 0.000 0.718 275 K HN 0.322 nan 8.250 nan 0.000 0.442 276 T N -2.496 111.967 114.554 -0.151 0.000 3.060 276 T HA 0.033 4.384 4.350 0.001 0.000 0.249 276 T C 1.038 175.620 174.700 -0.196 0.000 1.079 276 T CA 0.352 62.374 62.100 -0.131 0.000 1.013 276 T CB 0.448 69.276 68.868 -0.066 0.000 0.975 276 T HN 0.150 nan 8.240 nan 0.000 0.518 277 D N 0.053 120.230 120.400 -0.373 0.000 3.118 277 D HA 0.171 4.811 4.640 0.001 0.000 0.222 277 D C 1.618 177.633 176.300 -0.475 0.000 1.470 277 D CA -0.072 53.658 54.000 -0.449 0.000 1.347 277 D CB -0.291 40.095 40.800 -0.689 0.000 1.221 277 D HN 0.150 nan 8.370 nan 0.000 0.326 278 L N 1.376 122.116 121.223 -0.805 0.000 1.956 278 L HA -0.043 4.298 4.340 0.001 0.000 0.216 278 L C 2.286 179.060 176.870 -0.160 0.000 1.073 278 L CA 1.650 56.184 54.840 -0.510 0.000 0.762 278 L CB -1.031 40.648 42.059 -0.633 0.000 0.889 278 L HN 0.232 nan 8.230 nan 0.000 0.433 279 L N -0.897 120.278 121.223 -0.079 0.000 2.447 279 L HA -0.173 4.167 4.340 0.001 0.000 0.225 279 L C 2.271 179.113 176.870 -0.047 0.000 1.148 279 L CA 1.987 56.832 54.840 0.008 0.000 0.808 279 L CB -0.927 41.074 42.059 -0.098 0.000 0.928 279 L HN 0.430 nan 8.230 nan 0.000 0.448 280 T N -0.836 113.663 114.554 -0.090 0.000 3.067 280 T HA -0.011 4.339 4.350 0.001 0.000 0.261 280 T C 1.560 176.234 174.700 -0.044 0.000 1.110 280 T CA 0.861 62.918 62.100 -0.071 0.000 1.113 280 T CB -0.040 68.775 68.868 -0.088 0.000 0.917 280 T HN 0.602 nan 8.240 nan 0.000 0.499 281 R N -1.003 119.474 120.500 -0.038 0.000 2.549 281 R HA 0.402 4.743 4.340 0.001 0.000 0.344 281 R C -0.274 176.030 176.300 0.005 0.000 0.979 281 R CA -0.535 55.556 56.100 -0.015 0.000 1.140 281 R CB 0.617 30.909 30.300 -0.014 0.000 1.377 281 R HN -0.127 nan 8.270 nan 0.000 0.541 282 K N 1.788 122.204 120.400 0.027 0.000 2.616 282 K HA 0.261 4.581 4.320 0.001 0.000 0.255 282 K C -1.656 175.047 176.600 0.172 0.000 0.995 282 K CA -0.566 55.758 56.287 0.062 0.000 0.860 282 K CB 1.871 34.380 32.500 0.014 0.000 1.264 282 K HN -0.096 nan 8.250 nan 0.000 0.451 283 K N 4.222 124.694 120.400 0.121 0.000 2.316 283 K HA 0.275 4.596 4.320 0.001 0.000 0.289 283 K C 0.115 176.826 176.600 0.186 0.000 1.070 283 K CA -0.190 56.163 56.287 0.109 0.000 0.928 283 K CB 0.346 32.865 32.500 0.032 0.000 1.039 283 K HN 0.603 nan 8.250 nan 0.000 0.480 284 H N -0.372 118.697 119.070 -0.002 0.000 2.990 284 H HA 0.378 4.934 4.556 0.001 0.000 0.336 284 H C -0.824 174.517 175.328 0.022 0.000 1.306 284 H CA -0.828 55.230 56.048 0.017 0.000 1.118 284 H CB 1.253 31.033 29.762 0.029 0.000 1.856 284 H HN 0.339 nan 8.280 nan 0.000 0.538 285 D N -0.302 120.114 120.400 0.026 0.000 2.324 285 D HA 0.021 4.662 4.640 0.001 0.000 0.212 285 D C 0.195 176.498 176.300 0.004 0.000 0.984 285 D CA 0.635 54.621 54.000 -0.023 0.000 0.885 285 D CB 0.893 41.721 40.800 0.046 0.000 0.996 285 D HN 0.475 nan 8.370 nan 0.000 0.505 286 N N -0.228 118.557 118.700 0.141 0.000 2.331 286 N HA 0.483 5.224 4.740 0.001 0.000 0.280 286 N C -1.948 173.770 175.510 0.347 0.000 1.155 286 N CA -0.328 52.838 53.050 0.192 0.000 0.822 286 N CB 2.689 41.256 38.487 0.132 0.000 1.619 286 N HN -0.080 nan 8.380 nan 0.000 0.476 287 A N 2.130 125.156 122.820 0.344 0.000 2.374 287 A HA 0.588 4.909 4.320 0.001 0.000 0.305 287 A C -1.260 176.608 177.584 0.473 0.000 1.053 287 A CA -0.586 51.691 52.037 0.399 0.000 0.726 287 A CB 1.628 20.887 19.000 0.432 0.000 1.229 287 A HN 0.540 nan 8.150 nan 0.000 0.431 288 Q N 0.871 120.875 119.800 0.341 0.000 2.365 288 Q HA 0.506 4.846 4.340 0.001 0.000 0.269 288 Q C -1.591 174.350 176.000 -0.098 0.000 1.061 288 Q CA -0.753 55.148 55.803 0.163 0.000 0.816 288 Q CB 2.558 31.347 28.738 0.085 0.000 1.325 288 Q HN 0.689 nan 8.270 nan 0.000 0.446 289 L N 3.011 123.937 121.223 -0.496 0.000 2.280 289 L HA 0.411 4.751 4.340 0.001 0.000 0.287 289 L C -1.387 175.244 176.870 -0.399 0.000 1.023 289 L CA -0.651 53.742 54.840 -0.744 0.000 0.819 289 L CB 0.991 42.213 42.059 -1.394 0.000 1.212 289 L HN 0.502 nan 8.230 nan 0.000 0.420 290 L N 5.077 126.117 121.223 -0.306 0.000 2.255 290 L HA 0.545 4.885 4.340 0.001 0.000 0.289 290 L C -0.034 176.725 176.870 -0.184 0.000 1.046 290 L CA 0.499 55.224 54.840 -0.192 0.000 0.816 290 L CB 1.113 43.087 42.059 -0.141 0.000 1.197 290 L HN 0.774 nan 8.230 nan 0.000 0.427 291 T N 3.074 117.547 114.554 -0.136 0.000 2.856 291 T HA 0.652 5.002 4.350 0.001 0.000 0.283 291 T C 0.741 175.410 174.700 -0.051 0.000 1.008 291 T CA 0.001 62.045 62.100 -0.093 0.000 0.997 291 T CB 1.604 70.424 68.868 -0.079 0.000 0.992 291 T HN 0.690 nan 8.240 nan 0.000 0.454 292 A N 4.672 127.472 122.820 -0.034 0.000 2.275 292 A HA 0.408 4.728 4.320 0.001 0.000 0.212 292 A C 0.878 178.458 177.584 -0.007 0.000 1.201 292 A CA -0.122 51.904 52.037 -0.019 0.000 0.843 292 A CB -0.424 18.564 19.000 -0.020 0.000 0.873 292 A HN 0.810 nan 8.150 nan 0.000 0.492 293 I N 0.546 121.112 120.570 -0.007 0.000 2.696 293 I HA 0.024 4.194 4.170 0.001 0.000 0.284 293 I C -0.125 175.995 176.117 0.004 0.000 1.129 293 I CA -0.237 61.063 61.300 0.000 0.000 1.410 293 I CB 0.685 38.687 38.000 0.003 0.000 1.399 293 I HN 0.056 nan 8.210 nan 0.000 0.579 294 D N 6.538 126.942 120.400 0.007 0.000 2.422 294 D HA 0.270 4.910 4.640 0.001 0.000 0.227 294 D C -0.152 176.151 176.300 0.005 0.000 1.190 294 D CA -0.203 53.805 54.000 0.014 0.000 0.905 294 D CB 0.159 40.968 40.800 0.016 0.000 1.034 294 D HN 0.218 nan 8.370 nan 0.000 0.507 295 L N 2.308 123.530 121.223 -0.002 0.000 2.499 295 L HA 0.088 4.428 4.340 0.001 0.000 0.281 295 L C 0.789 177.653 176.870 -0.011 0.000 1.234 295 L CA -0.004 54.831 54.840 -0.009 0.000 0.839 295 L CB 0.386 42.431 42.059 -0.022 0.000 1.104 295 L HN 0.268 nan 8.230 nan 0.000 0.500 296 D N 2.578 122.973 120.400 -0.009 0.000 2.317 296 D HA 0.142 4.782 4.640 0.001 0.000 0.252 296 D C 0.834 177.124 176.300 -0.017 0.000 1.174 296 D CA -0.039 53.955 54.000 -0.010 0.000 0.866 296 D CB 1.122 41.919 40.800 -0.005 0.000 1.127 296 D HN 0.500 nan 8.370 nan 0.000 0.467 297 R N -0.575 119.912 120.500 -0.020 0.000 3.702 297 R HA -0.258 4.082 4.340 0.001 0.000 0.318 297 R C 0.787 177.057 176.300 -0.049 0.000 0.704 297 R CA 1.817 57.901 56.100 -0.028 0.000 1.693 297 R CB -1.608 28.680 30.300 -0.019 0.000 1.795 297 R HN 0.476 nan 8.270 nan 0.000 0.489 298 V N -0.717 119.165 119.914 -0.053 0.000 3.096 298 V HA 0.620 4.740 4.120 0.001 0.000 0.319 298 V C 1.127 177.153 176.094 -0.113 0.000 1.103 298 V CA -0.141 62.111 62.300 -0.081 0.000 1.016 298 V CB 1.736 33.528 31.823 -0.053 0.000 1.090 298 V HN 0.330 nan 8.190 nan 0.000 0.449 299 I N -1.410 119.058 120.570 -0.170 0.000 4.081 299 I HA 0.839 5.009 4.170 0.001 0.000 0.333 299 I C 0.538 176.572 176.117 -0.138 0.000 1.413 299 I CA 0.171 61.345 61.300 -0.210 0.000 1.110 299 I CB 0.241 37.966 38.000 -0.458 0.000 1.082 299 I HN 0.947 nan 8.210 nan 0.000 0.402 300 G N 1.295 110.041 108.800 -0.090 0.000 2.466 300 G HA2 0.598 4.558 3.960 0.001 0.000 0.291 300 G HA3 0.598 4.558 3.960 0.001 0.000 0.291 300 G C -2.382 172.512 174.900 -0.010 0.000 1.460 300 G CA -0.597 44.479 45.100 -0.041 0.000 0.791 300 G HN 0.080 nan 8.290 nan 0.000 0.505 301 L N -0.294 120.929 121.223 0.000 0.000 2.643 301 L HA 0.871 5.211 4.340 0.001 0.000 0.256 301 L C -0.838 175.998 176.870 -0.056 0.000 0.931 301 L CA 0.334 55.154 54.840 -0.033 0.000 0.895 301 L CB 1.878 43.889 42.059 -0.079 0.000 1.430 301 L HN 2.065 nan 8.230 nan 0.000 0.419 302 A N 2.639 125.399 122.820 -0.101 0.000 2.577 302 A HA 0.658 4.978 4.320 0.001 0.000 0.297 302 A C -1.831 175.649 177.584 -0.172 0.000 1.060 302 A CA -0.562 51.406 52.037 -0.116 0.000 0.697 302 A CB 0.610 19.660 19.000 0.082 0.000 1.281 302 A HN 0.518 nan 8.150 nan 0.000 0.402 303 Y N 0.400 120.697 120.300 -0.006 0.000 2.550 303 Y HA 0.330 4.881 4.550 0.000 0.000 0.343 303 Y C 1.227 177.077 175.900 -0.083 0.000 1.245 303 Y CA 0.659 58.723 58.100 -0.060 0.000 1.462 303 Y CB 0.493 38.916 38.460 -0.063 0.000 1.340 303 Y HN 0.729 nan 8.280 nan 0.000 0.604 304 V N -0.847 119.090 119.914 0.037 0.000 2.532 304 V HA 0.770 4.890 4.120 0.001 0.000 0.295 304 V C 0.654 176.648 176.094 -0.167 0.000 1.041 304 V CA -0.887 61.365 62.300 -0.080 0.000 0.926 304 V CB 0.947 32.699 31.823 -0.119 0.000 0.992 304 V HN 1.163 nan 8.190 nan 0.000 0.457 305 G N 3.682 112.241 108.800 -0.402 0.000 2.386 305 G HA2 -0.162 3.799 3.960 0.001 0.000 0.295 305 G HA3 -0.162 3.799 3.960 0.001 0.000 0.295 305 G C 0.409 175.171 174.900 -0.230 0.000 0.979 305 G CA 0.653 45.289 45.100 -0.773 0.000 1.193 305 G HN 2.211 nan 8.290 nan 0.000 0.508 306 S N -1.419 114.215 115.700 -0.110 0.000 2.937 306 S HA 0.472 4.942 4.470 0.001 0.000 0.252 306 S C 0.583 175.267 174.600 0.140 0.000 1.022 306 S CA 0.348 58.585 58.200 0.062 0.000 1.079 306 S CB 0.417 63.609 63.200 -0.015 0.000 1.035 306 S HN 0.799 nan 8.310 nan 0.000 0.594 307 M N 2.219 121.916 119.600 0.161 0.000 2.261 307 M HA 0.245 4.725 4.480 0.001 0.000 0.350 307 M C 0.724 177.119 176.300 0.159 0.000 1.343 307 M CA 0.546 55.943 55.300 0.160 0.000 1.003 307 M CB -1.086 31.633 32.600 0.197 0.000 1.848 307 M HN 0.618 nan 8.290 nan 0.000 0.456 308 c N 0.864 119.522 118.600 0.097 0.000 5.851 308 c HA -0.187 4.383 4.570 0.001 0.000 0.284 308 c C 0.604 174.716 174.090 0.037 0.000 2.047 308 c CA 0.544 56.901 56.329 0.047 0.000 1.805 308 c CB -2.979 39.557 42.510 0.043 0.000 2.836 308 c HN 0.955 nan 8.230 nan 0.000 0.468 309 H N 4.222 123.289 119.070 -0.004 0.000 3.004 309 H HA 0.111 4.667 4.556 0.001 0.000 0.316 309 H C -0.878 174.412 175.328 -0.064 0.000 1.014 309 H CA 0.080 56.108 56.048 -0.033 0.000 1.454 309 H CB 1.162 30.898 29.762 -0.042 0.000 1.472 309 H HN 0.295 nan 8.280 nan 0.000 0.571 310 P HA -0.226 nan 4.420 nan 0.000 0.217 310 P C 1.150 178.479 177.300 0.048 0.000 1.151 310 P CA 1.827 64.838 63.100 -0.148 0.000 0.849 310 P CB 0.479 32.028 31.700 -0.252 0.000 0.787 311 K N -0.555 120.058 120.400 0.355 0.000 2.240 311 K HA 0.098 4.418 4.320 0.001 0.000 0.202 311 K C 2.214 178.841 176.600 0.045 0.000 1.053 311 K CA 0.034 56.427 56.287 0.178 0.000 0.973 311 K CB 0.238 32.814 32.500 0.126 0.000 0.924 311 K HN -0.148 nan 8.250 nan 0.000 0.477 312 R N 0.587 120.965 120.500 -0.203 0.000 2.323 312 R HA 0.062 4.403 4.340 0.001 0.000 0.198 312 R C 0.781 177.129 176.300 0.079 0.000 0.988 312 R CA 0.176 56.008 56.100 -0.446 0.000 1.041 312 R CB 0.186 29.921 30.300 -0.941 0.000 0.926 312 R HN -0.033 nan 8.270 nan 0.000 0.476 313 S N 1.221 117.012 115.700 0.152 0.000 3.149 313 S HA 0.048 4.518 4.470 0.001 0.000 0.228 313 S C -0.164 174.564 174.600 0.213 0.000 1.393 313 S CA -0.361 57.936 58.200 0.162 0.000 1.224 313 S CB -0.301 62.966 63.200 0.111 0.000 1.112 313 S HN 0.335 nan 8.310 nan 0.000 0.502 314 T N -1.980 112.759 114.554 0.309 0.000 2.812 314 T HA 0.880 5.230 4.350 0.001 0.000 0.294 314 T C -0.181 174.708 174.700 0.316 0.000 1.159 314 T CA -0.656 61.666 62.100 0.369 0.000 1.008 314 T CB 1.617 70.749 68.868 0.440 0.000 1.289 314 T HN 0.348 nan 8.240 nan 0.000 0.514 315 G N 0.206 109.191 108.800 0.307 0.000 2.702 315 G HA2 0.569 4.529 3.960 0.001 0.000 0.296 315 G HA3 0.569 4.529 3.960 0.001 0.000 0.296 315 G C -1.278 173.655 174.900 0.054 0.000 1.463 315 G CA -0.885 44.298 45.100 0.139 0.000 0.890 315 G HN 1.256 nan 8.290 nan 0.000 0.534 316 I N -1.111 119.441 120.570 -0.029 0.000 2.525 316 I HA 0.882 5.052 4.170 0.001 0.000 0.301 316 I C -0.827 175.243 176.117 -0.078 0.000 0.992 316 I CA -1.333 59.891 61.300 -0.128 0.000 1.162 316 I CB 2.028 39.950 38.000 -0.130 0.000 1.332 316 I HN 0.342 nan 8.210 nan 0.000 0.458 317 I N 3.896 124.405 120.570 -0.103 0.000 2.619 317 I HA 0.337 4.507 4.170 0.001 0.000 0.292 317 I C -0.648 175.429 176.117 -0.067 0.000 1.100 317 I CA -0.536 60.726 61.300 -0.063 0.000 1.043 317 I CB 2.226 40.201 38.000 -0.041 0.000 1.239 317 I HN 0.696 nan 8.210 nan 0.000 0.420 318 Q N 3.744 123.518 119.800 -0.043 0.000 2.241 318 Q HA 0.166 4.506 4.340 0.001 0.000 0.254 318 Q C -0.543 175.472 176.000 0.026 0.000 0.917 318 Q CA -0.568 55.226 55.803 -0.016 0.000 0.919 318 Q CB 1.497 30.233 28.738 -0.005 0.000 1.237 318 Q HN 0.520 nan 8.270 nan 0.000 0.434 319 D N 3.275 123.685 120.400 0.017 0.000 2.848 319 D HA -0.063 4.577 4.640 0.001 0.000 0.232 319 D C 0.447 176.786 176.300 0.065 0.000 1.107 319 D CA 0.119 54.132 54.000 0.021 0.000 1.020 319 D CB -0.410 40.380 40.800 -0.015 0.000 1.148 319 D HN 0.618 nan 8.370 nan 0.000 0.453 320 Y N 1.036 121.305 120.300 -0.051 0.000 2.241 320 Y HA -0.132 4.418 4.550 0.001 0.000 0.286 320 Y C 0.702 176.574 175.900 -0.046 0.000 1.166 320 Y CA 1.101 59.172 58.100 -0.049 0.000 1.203 320 Y CB 0.128 38.556 38.460 -0.054 0.000 0.977 320 Y HN 0.186 nan 8.280 nan 0.000 0.529 321 S N -1.627 114.017 115.700 -0.093 0.000 2.607 321 S HA 0.297 4.767 4.470 0.001 0.000 0.273 321 S C 0.262 174.804 174.600 -0.098 0.000 1.148 321 S CA -0.715 57.373 58.200 -0.186 0.000 0.833 321 S CB 1.384 64.448 63.200 -0.226 0.000 1.130 321 S HN 0.155 nan 8.310 nan 0.000 0.470 322 E N 1.275 121.413 120.200 -0.103 0.000 2.371 322 E HA 0.190 4.540 4.350 0.001 0.000 0.194 322 E C 0.072 176.634 176.600 -0.063 0.000 1.012 322 E CA 0.377 56.733 56.400 -0.073 0.000 0.860 322 E CB -0.005 29.652 29.700 -0.071 0.000 0.811 322 E HN 0.632 nan 8.360 nan 0.000 0.502 323 I N 2.889 123.419 120.570 -0.068 0.000 2.389 323 I HA -0.032 4.139 4.170 0.001 0.000 0.295 323 I C 1.297 177.387 176.117 -0.045 0.000 1.117 323 I CA -0.345 60.921 61.300 -0.056 0.000 1.317 323 I CB 0.196 38.160 38.000 -0.060 0.000 1.431 323 I HN -0.147 nan 8.210 nan 0.000 0.521 324 N N 3.879 122.555 118.700 -0.040 0.000 2.089 324 N HA -0.257 4.483 4.740 0.001 0.000 0.198 324 N C 1.723 177.213 175.510 -0.033 0.000 1.017 324 N CA 1.505 54.535 53.050 -0.033 0.000 0.880 324 N CB -0.222 38.248 38.487 -0.029 0.000 1.042 324 N HN 0.553 nan 8.380 nan 0.000 0.446 325 L N 1.234 122.430 121.223 -0.045 0.000 2.042 325 L HA -0.102 4.238 4.340 0.001 0.000 0.210 325 L C 2.131 178.971 176.870 -0.051 0.000 1.076 325 L CA 1.310 56.114 54.840 -0.059 0.000 0.749 325 L CB -0.691 41.319 42.059 -0.080 0.000 0.893 325 L HN -0.058 nan 8.230 nan 0.000 0.432 326 V N -1.066 118.827 119.914 -0.036 0.000 2.287 326 V HA -0.291 3.830 4.120 0.001 0.000 0.248 326 V C 2.520 178.621 176.094 0.011 0.000 1.053 326 V CA 1.773 64.068 62.300 -0.007 0.000 1.027 326 V CB -0.621 31.211 31.823 0.014 0.000 0.646 326 V HN 0.372 nan 8.190 nan 0.000 0.447 327 V N 0.186 120.107 119.914 0.010 0.000 2.427 327 V HA -0.204 3.917 4.120 0.001 0.000 0.248 327 V C 2.688 178.785 176.094 0.006 0.000 1.051 327 V CA 1.772 64.081 62.300 0.016 0.000 1.048 327 V CB -1.118 30.709 31.823 0.006 0.000 0.666 327 V HN 0.549 nan 8.190 nan 0.000 0.456 328 A N 0.056 122.873 122.820 -0.005 0.000 1.883 328 A HA -0.174 4.146 4.320 0.001 0.000 0.217 328 A C 2.401 179.982 177.584 -0.005 0.000 1.186 328 A CA 2.173 54.212 52.037 0.003 0.000 0.624 328 A CB -0.738 18.256 19.000 -0.009 0.000 0.822 328 A HN 0.337 nan 8.150 nan 0.000 0.444 329 V N 0.308 120.197 119.914 -0.042 0.000 2.332 329 V HA -0.288 3.832 4.120 0.001 0.000 0.248 329 V C 2.420 178.500 176.094 -0.024 0.000 1.055 329 V CA 2.071 64.326 62.300 -0.075 0.000 1.038 329 V CB -0.727 31.034 31.823 -0.104 0.000 0.651 329 V HN 0.578 nan 8.190 nan 0.000 0.450 330 I N -0.856 119.705 120.570 -0.016 0.000 2.226 330 I HA -0.330 3.840 4.170 0.001 0.000 0.245 330 I C 2.506 178.663 176.117 0.067 0.000 1.100 330 I CA 2.018 63.313 61.300 -0.008 0.000 1.374 330 I CB -0.314 37.666 38.000 -0.035 0.000 1.057 330 I HN 0.321 nan 8.210 nan 0.000 0.413 331 M N 0.654 120.290 119.600 0.061 0.000 2.065 331 M HA -0.241 4.239 4.480 0.001 0.000 0.259 331 M C 2.473 178.866 176.300 0.155 0.000 1.069 331 M CA 2.321 57.675 55.300 0.091 0.000 1.110 331 M CB -0.152 32.493 32.600 0.075 0.000 1.328 331 M HN 0.290 nan 8.290 nan 0.000 0.405 332 A N -0.981 121.938 122.820 0.165 0.000 1.883 332 A HA -0.282 4.038 4.320 0.001 0.000 0.217 332 A C 1.807 179.531 177.584 0.233 0.000 1.186 332 A CA 2.291 54.491 52.037 0.272 0.000 0.624 332 A CB -1.363 17.685 19.000 0.081 0.000 0.822 332 A HN 0.778 nan 8.150 nan 0.000 0.444 333 H N -0.355 118.722 119.070 0.011 0.000 2.319 333 H HA -0.151 4.406 4.556 0.001 0.000 0.297 333 H C 1.970 177.282 175.328 -0.028 0.000 1.097 333 H CA 2.098 58.125 56.048 -0.035 0.000 1.285 333 H CB 0.101 29.829 29.762 -0.056 0.000 1.368 333 H HN 0.390 nan 8.280 nan 0.000 0.495 334 E N 0.129 120.468 120.200 0.231 0.000 2.106 334 E HA -0.150 4.201 4.350 0.001 0.000 0.192 334 E C 2.347 179.037 176.600 0.149 0.000 0.984 334 E CA 1.011 57.543 56.400 0.220 0.000 0.806 334 E CB -0.240 29.575 29.700 0.191 0.000 0.750 334 E HN 0.641 nan 8.360 nan 0.000 0.458 335 M N -0.145 119.551 119.600 0.161 0.000 2.229 335 M HA -0.048 4.432 4.480 0.001 0.000 0.264 335 M C 2.182 178.555 176.300 0.123 0.000 1.063 335 M CA 1.294 56.682 55.300 0.148 0.000 1.114 335 M CB -0.352 32.348 32.600 0.167 0.000 1.387 335 M HN 0.127 nan 8.290 nan 0.000 0.420 336 G N -0.320 108.559 108.800 0.133 0.000 2.459 336 G HA2 -0.244 3.716 3.960 0.001 0.000 0.217 336 G HA3 -0.244 3.716 3.960 0.001 0.000 0.217 336 G C 1.194 176.012 174.900 -0.138 0.000 1.183 336 G CA 0.847 45.958 45.100 0.018 0.000 0.776 336 G HN 0.408 nan 8.290 nan 0.000 0.552 337 H N 0.684 119.691 119.070 -0.106 0.000 2.390 337 H HA -0.071 4.485 4.556 0.001 0.000 0.298 337 H C 2.569 177.781 175.328 -0.193 0.000 1.106 337 H CA 1.403 57.355 56.048 -0.161 0.000 1.297 337 H CB -0.515 29.177 29.762 -0.118 0.000 1.375 337 H HN 0.463 nan 8.280 nan 0.000 0.509 338 N N 0.425 119.125 118.700 -0.000 0.000 2.149 338 N HA -0.101 4.639 4.740 0.001 0.000 0.188 338 N C 0.918 176.255 175.510 -0.288 0.000 1.019 338 N CA 0.273 53.283 53.050 -0.067 0.000 0.857 338 N CB -0.036 38.468 38.487 0.028 0.000 0.997 338 N HN 0.182 nan 8.380 nan 0.000 0.426 339 L N 0.824 121.871 121.223 -0.293 0.000 2.777 339 L HA 0.163 4.503 4.340 0.001 0.000 0.244 339 L C 0.977 177.355 176.870 -0.820 0.000 1.235 339 L CA -0.298 54.278 54.840 -0.441 0.000 1.062 339 L CB -0.450 41.490 42.059 -0.197 0.000 1.340 339 L HN 0.215 nan 8.230 nan 0.000 0.439 340 G N 0.763 108.933 108.800 -1.051 0.000 2.203 340 G HA2 -0.305 3.655 3.960 0.001 0.000 0.263 340 G HA3 -0.305 3.655 3.960 0.001 0.000 0.263 340 G C 0.252 174.949 174.900 -0.339 0.000 1.012 340 G CA 0.175 44.769 45.100 -0.844 0.000 0.749 340 G HN 0.429 nan 8.290 nan 0.000 0.512 341 I N 0.256 120.677 120.570 -0.249 0.000 2.428 341 I HA 0.356 4.526 4.170 0.001 0.000 0.296 341 I C 0.264 176.342 176.117 -0.066 0.000 0.985 341 I CA -0.915 60.299 61.300 -0.143 0.000 1.260 341 I CB 1.130 39.028 38.000 -0.169 0.000 1.389 341 I HN -0.003 nan 8.210 nan 0.000 0.484 342 N N 2.849 121.538 118.700 -0.018 0.000 2.531 342 N HA 0.398 5.138 4.740 0.001 0.000 0.290 342 N C -0.634 174.918 175.510 0.071 0.000 1.257 342 N CA -0.798 52.261 53.050 0.014 0.000 0.863 342 N CB 0.951 39.445 38.487 0.012 0.000 1.320 342 N HN 0.529 nan 8.380 nan 0.000 0.538 343 H N -0.043 119.108 119.070 0.136 0.000 2.852 343 H HA 0.019 4.575 4.556 0.001 0.000 0.362 343 H C -0.251 175.136 175.328 0.099 0.000 1.122 343 H CA -0.099 56.023 56.048 0.124 0.000 1.419 343 H CB 0.685 30.542 29.762 0.160 0.000 1.401 343 H HN 0.321 nan 8.280 nan 0.000 0.609 344 D N 0.635 121.173 120.400 0.230 0.000 2.344 344 D HA 0.190 4.830 4.640 0.001 0.000 0.244 344 D C 0.058 176.433 176.300 0.124 0.000 1.134 344 D CA 0.084 54.177 54.000 0.154 0.000 0.930 344 D CB 1.413 42.285 40.800 0.120 0.000 1.175 344 D HN 0.619 nan 8.370 nan 0.000 0.437 345 S N -1.584 114.177 115.700 0.102 0.000 2.636 345 S HA 0.637 5.108 4.470 0.001 0.000 0.268 345 S C 0.477 175.116 174.600 0.066 0.000 1.159 345 S CA -0.280 57.965 58.200 0.075 0.000 0.815 345 S CB 1.230 64.485 63.200 0.091 0.000 1.130 345 S HN 0.754 nan 8.310 nan 0.000 0.471 346 G N 0.908 109.731 108.800 0.038 0.000 2.627 346 G HA2 -0.304 3.656 3.960 0.001 0.000 0.312 346 G HA3 -0.304 3.656 3.960 0.001 0.000 0.312 346 G C -0.094 174.776 174.900 -0.051 0.000 1.299 346 G CA 0.895 46.022 45.100 0.046 0.000 0.989 346 G HN 1.278 nan 8.290 nan 0.000 0.547 347 Y N 0.991 121.323 120.300 0.054 0.000 2.740 347 Y HA 0.375 4.925 4.550 0.001 0.000 0.356 347 Y C 1.617 177.559 175.900 0.069 0.000 1.101 347 Y CA -0.596 57.536 58.100 0.052 0.000 1.477 347 Y CB -0.474 38.013 38.460 0.045 0.000 1.296 347 Y HN 0.516 nan 8.280 nan 0.000 0.507 348 c N 1.509 120.195 118.600 0.143 0.000 2.514 348 c HA 0.561 5.131 4.570 0.001 0.000 0.392 348 c C 0.782 174.935 174.090 0.105 0.000 1.294 348 c CA -0.495 55.922 56.329 0.146 0.000 1.957 348 c CB -0.883 41.712 42.510 0.141 0.000 2.541 348 c HN 0.649 nan 8.230 nan 0.000 0.569 349 S N 1.269 117.035 115.700 0.109 0.000 2.661 349 S HA 0.727 5.197 4.470 0.001 0.000 0.285 349 S C -0.356 174.277 174.600 0.054 0.000 1.138 349 S CA -0.480 57.762 58.200 0.070 0.000 0.855 349 S CB 1.297 64.531 63.200 0.056 0.000 1.136 349 S HN 1.183 nan 8.310 nan 0.000 0.484 350 c N -1.043 117.577 118.600 0.035 0.000 3.607 350 c HA 0.812 5.382 4.570 0.001 0.000 0.304 350 c C 1.010 175.110 174.090 0.017 0.000 2.634 350 c CA -0.166 56.159 56.329 -0.007 0.000 1.594 350 c CB -0.927 41.625 42.510 0.070 0.000 3.304 350 c HN 2.241 nan 8.230 nan 0.000 0.392 351 G N 2.172 110.961 108.800 -0.018 0.000 2.660 351 G HA2 0.057 4.017 3.960 0.001 0.000 0.247 351 G HA3 0.057 4.017 3.960 0.001 0.000 0.247 351 G C -0.413 174.388 174.900 -0.166 0.000 1.328 351 G CA 0.159 45.213 45.100 -0.076 0.000 0.884 351 G HN 1.015 nan 8.290 nan 0.000 0.531 352 D N -0.053 120.086 120.400 -0.435 0.000 3.008 352 D HA 0.398 5.038 4.640 0.001 0.000 0.242 352 D C -0.183 175.788 176.300 -0.548 0.000 1.222 352 D CA 0.187 53.933 54.000 -0.423 0.000 0.883 352 D CB -0.548 40.017 40.800 -0.391 0.000 1.110 352 D HN 0.460 nan 8.370 nan 0.000 0.455 353 Y N -0.309 120.014 120.300 0.038 0.000 2.536 353 Y HA 0.572 5.123 4.550 0.001 0.000 0.347 353 Y C 0.267 176.189 175.900 0.036 0.000 1.000 353 Y CA -1.997 56.143 58.100 0.066 0.000 1.051 353 Y CB 1.593 40.168 38.460 0.192 0.000 1.259 353 Y HN 0.105 nan 8.280 nan 0.000 0.468 354 A N 1.734 124.662 122.820 0.179 0.000 2.438 354 A HA 0.401 4.721 4.320 0.001 0.000 0.280 354 A C -0.214 177.404 177.584 0.057 0.000 1.160 354 A CA -0.484 51.598 52.037 0.075 0.000 0.821 354 A CB -1.142 17.877 19.000 0.031 0.000 1.101 354 A HN 0.824 nan 8.150 nan 0.000 0.515 355 c N 2.723 121.355 118.600 0.052 0.000 2.604 355 c HA 0.234 4.804 4.570 0.001 0.000 0.396 355 c C 2.003 176.063 174.090 -0.050 0.000 1.282 355 c CA -0.578 55.763 56.329 0.020 0.000 2.292 355 c CB -0.357 42.194 42.510 0.069 0.000 2.633 355 c HN 0.830 nan 8.230 nan 0.000 0.620 356 I N 1.407 121.861 120.570 -0.194 0.000 2.248 356 I HA -0.165 4.006 4.170 0.001 0.000 0.248 356 I C 1.997 178.127 176.117 0.020 0.000 1.107 356 I CA 1.747 62.887 61.300 -0.266 0.000 1.373 356 I CB -0.285 37.195 38.000 -0.867 0.000 1.055 356 I HN 0.553 nan 8.210 nan 0.000 0.418 357 M N 0.736 120.375 119.600 0.065 0.000 2.854 357 M HA 0.173 4.654 4.480 0.001 0.000 0.251 357 M C 0.337 176.766 176.300 0.215 0.000 1.301 357 M CA 0.109 55.496 55.300 0.146 0.000 1.059 357 M CB -1.137 31.531 32.600 0.113 0.000 1.419 357 M HN 0.040 nan 8.290 nan 0.000 0.467 358 R N 1.397 121.982 120.500 0.140 0.000 2.531 358 R HA 0.193 4.533 4.340 0.001 0.000 0.273 358 R C -1.061 175.143 176.300 -0.160 0.000 1.070 358 R CA -1.308 54.798 56.100 0.011 0.000 1.112 358 R CB 0.691 30.975 30.300 -0.027 0.000 1.049 358 R HN 0.039 nan 8.270 nan 0.000 0.508 359 P HA -0.196 nan 4.420 nan 0.000 0.216 359 P C -0.488 176.574 177.300 -0.395 0.000 1.153 359 P CA 1.718 64.460 63.100 -0.597 0.000 0.858 359 P CB 0.195 31.737 31.700 -0.264 0.000 0.789 360 E N -0.332 119.721 120.200 -0.245 0.000 2.272 360 E HA 0.332 4.682 4.350 0.001 0.000 0.269 360 E C -0.268 176.219 176.600 -0.188 0.000 0.877 360 E CA -1.530 54.738 56.400 -0.220 0.000 0.755 360 E CB 1.958 31.566 29.700 -0.153 0.000 1.192 360 E HN 0.035 nan 8.360 nan 0.000 0.422 361 I N 1.634 122.073 120.570 -0.219 0.000 2.845 361 I HA -0.088 4.082 4.170 0.001 0.000 0.296 361 I C 0.342 176.420 176.117 -0.066 0.000 1.216 361 I CA 0.526 61.736 61.300 -0.150 0.000 1.438 361 I CB 0.624 38.535 38.000 -0.149 0.000 1.342 361 I HN 0.578 nan 8.210 nan 0.000 0.577 362 S N 8.120 123.794 115.700 -0.045 0.000 2.610 362 S HA 0.439 4.910 4.470 0.001 0.000 0.273 362 S C -1.214 173.389 174.600 0.004 0.000 1.274 362 S CA -1.315 56.874 58.200 -0.018 0.000 1.023 362 S CB 1.235 64.424 63.200 -0.018 0.000 0.962 362 S HN 0.624 nan 8.310 nan 0.000 0.523 363 P HA 0.041 nan 4.420 nan 0.000 0.233 363 P C -0.006 177.290 177.300 -0.007 0.000 1.167 363 P CA 0.750 63.854 63.100 0.006 0.000 0.770 363 P CB 0.097 31.798 31.700 0.002 0.000 0.837 364 E N 0.933 121.130 120.200 -0.006 0.000 3.898 364 E HA 0.227 4.577 4.350 0.001 0.000 0.219 364 E C -2.227 174.368 176.600 -0.010 0.000 1.207 364 E CA -2.101 54.296 56.400 -0.006 0.000 1.240 364 E CB 0.784 30.490 29.700 0.010 0.000 1.239 364 E HN 0.144 nan 8.360 nan 0.000 0.422 365 P HA -0.022 nan 4.420 nan 0.000 0.268 365 P C -0.206 177.025 177.300 -0.115 0.000 1.208 365 P CA 0.131 63.192 63.100 -0.065 0.000 0.777 365 P CB 1.417 33.073 31.700 -0.074 0.000 0.875 366 S N -0.100 115.503 115.700 -0.162 0.000 2.759 366 S HA 0.509 4.980 4.470 0.001 0.000 0.310 366 S C 0.809 175.144 174.600 -0.442 0.000 1.123 366 S CA -0.008 57.994 58.200 -0.331 0.000 0.959 366 S CB 0.851 63.888 63.200 -0.272 0.000 1.172 366 S HN 0.549 nan 8.310 nan 0.000 0.539 367 T N -1.701 112.397 114.554 -0.760 0.000 3.092 367 T HA 0.397 4.748 4.350 0.001 0.000 0.258 367 T C -0.287 174.043 174.700 -0.617 0.000 1.031 367 T CA -0.379 61.331 62.100 -0.649 0.000 0.925 367 T CB -0.863 67.638 68.868 -0.612 0.000 1.036 367 T HN 0.472 nan 8.240 nan 0.000 0.544 368 F N 1.177 120.963 119.950 -0.274 0.000 2.404 368 F HA 0.619 5.147 4.527 0.001 0.000 0.339 368 F C 0.225 175.865 175.800 -0.266 0.000 1.105 368 F CA -1.814 56.025 58.000 -0.269 0.000 1.087 368 F CB 0.752 39.610 39.000 -0.236 0.000 1.143 368 F HN -0.048 nan 8.300 nan 0.000 0.491 369 F N 1.025 120.954 119.950 -0.035 0.000 2.370 369 F HA 0.344 4.871 4.527 0.001 0.000 0.319 369 F C 0.751 176.534 175.800 -0.030 0.000 1.129 369 F CA -0.497 57.492 58.000 -0.019 0.000 1.109 369 F CB 1.301 40.351 39.000 0.083 0.000 1.262 369 F HN 0.436 nan 8.300 nan 0.000 0.534 370 S N 1.437 117.322 115.700 0.307 0.000 2.632 370 S HA 0.158 4.628 4.470 0.001 0.000 0.271 370 S C 0.899 175.632 174.600 0.221 0.000 1.260 370 S CA -0.611 57.703 58.200 0.190 0.000 1.010 370 S CB 0.964 64.269 63.200 0.176 0.000 0.965 370 S HN 0.676 nan 8.310 nan 0.000 0.534 371 N N 1.330 120.125 118.700 0.159 0.000 2.272 371 N HA -0.151 4.589 4.740 0.001 0.000 0.185 371 N C 1.518 177.106 175.510 0.130 0.000 1.014 371 N CA 1.524 54.635 53.050 0.102 0.000 0.870 371 N CB -1.597 36.970 38.487 0.134 0.000 0.975 371 N HN 0.613 nan 8.380 nan 0.000 0.433 372 c N 0.477 119.222 118.600 0.241 0.000 2.432 372 c HA 0.048 4.618 4.570 0.001 0.000 0.277 372 c C 3.071 177.290 174.090 0.216 0.000 1.249 372 c CA 0.835 57.335 56.329 0.285 0.000 1.725 372 c CB -1.275 41.372 42.510 0.228 0.000 2.028 372 c HN 0.500 nan 8.230 nan 0.000 0.477 373 S N -0.497 115.309 115.700 0.177 0.000 2.400 373 S HA -0.191 4.279 4.470 0.001 0.000 0.232 373 S C 1.511 176.089 174.600 -0.036 0.000 1.025 373 S CA 1.511 59.754 58.200 0.073 0.000 0.993 373 S CB -0.511 62.790 63.200 0.167 0.000 0.808 373 S HN 0.729 nan 8.310 nan 0.000 0.478 374 Y N 1.493 121.735 120.300 -0.097 0.000 2.060 374 Y HA -0.163 4.387 4.550 0.001 0.000 0.276 374 Y C 1.847 177.732 175.900 -0.025 0.000 1.127 374 Y CA 1.544 59.544 58.100 -0.167 0.000 1.104 374 Y CB -0.750 37.503 38.460 -0.344 0.000 0.983 374 Y HN 0.228 nan 8.280 nan 0.000 0.483 375 F N 0.633 120.781 119.950 0.330 0.000 2.120 375 F HA -0.266 4.261 4.527 0.001 0.000 0.300 375 F C 2.624 178.486 175.800 0.104 0.000 1.095 375 F CA 1.680 59.810 58.000 0.216 0.000 1.249 375 F CB -0.543 38.593 39.000 0.227 0.000 0.995 375 F HN 0.201 nan 8.300 nan 0.000 0.480 376 E N -0.145 120.205 120.200 0.250 0.000 2.051 376 E HA -0.276 4.074 4.350 0.001 0.000 0.192 376 E C 2.331 178.955 176.600 0.040 0.000 0.991 376 E CA 1.497 57.979 56.400 0.136 0.000 0.799 376 E CB -0.343 29.415 29.700 0.095 0.000 0.748 376 E HN 0.469 nan 8.360 nan 0.000 0.449 377 C N -0.141 119.099 119.300 -0.100 0.000 2.413 377 C HA -0.134 4.326 4.460 0.001 0.000 0.277 377 C C 2.285 177.097 174.990 -0.296 0.000 1.228 377 C CA 1.069 59.922 59.018 -0.275 0.000 1.731 377 C CB -1.551 25.879 27.740 -0.518 0.000 2.042 377 C HN 0.719 nan 8.230 nan 0.000 0.468 378 W N 0.591 121.791 121.300 -0.167 0.000 2.519 378 W HA 0.049 4.709 4.660 0.001 0.000 0.266 378 W C 2.214 178.723 176.519 -0.018 0.000 1.253 378 W CA 1.208 58.466 57.345 -0.145 0.000 1.274 378 W CB -0.449 28.830 29.460 -0.301 0.000 1.114 378 W HN 0.447 nan 8.180 nan 0.000 0.596 379 D N -0.373 120.160 120.400 0.220 0.000 2.144 379 D HA -0.259 4.382 4.640 0.001 0.000 0.199 379 D C 1.882 178.301 176.300 0.199 0.000 0.984 379 D CA 1.199 55.317 54.000 0.195 0.000 0.834 379 D CB -0.278 40.632 40.800 0.184 0.000 0.955 379 D HN 0.056 nan 8.370 nan 0.000 0.465 380 F N 0.834 120.797 119.950 0.023 0.000 2.113 380 F HA -0.002 4.525 4.527 0.001 0.000 0.297 380 F C 1.877 177.700 175.800 0.037 0.000 1.103 380 F CA 1.241 59.242 58.000 0.002 0.000 1.248 380 F CB -0.298 38.627 39.000 -0.125 0.000 0.999 380 F HN -0.010 nan 8.300 nan 0.000 0.475 381 I N -0.233 120.276 120.570 -0.101 0.000 2.493 381 I HA -0.284 3.886 4.170 0.001 0.000 0.254 381 I C 2.057 178.154 176.117 -0.034 0.000 1.160 381 I CA 0.552 61.756 61.300 -0.159 0.000 1.445 381 I CB -0.379 37.546 38.000 -0.125 0.000 1.086 381 I HN 0.215 nan 8.210 nan 0.000 0.433 382 M N 0.184 119.816 119.600 0.053 0.000 2.134 382 M HA -0.074 4.406 4.480 0.001 0.000 0.262 382 M C 1.860 178.151 176.300 -0.014 0.000 1.076 382 M CA 1.708 57.037 55.300 0.047 0.000 1.143 382 M CB -1.530 31.118 32.600 0.080 0.000 1.346 382 M HN 0.274 nan 8.290 nan 0.000 0.421 383 N N -0.861 117.837 118.700 -0.004 0.000 2.048 383 N HA -0.101 4.639 4.740 0.001 0.000 0.193 383 N C 0.130 175.551 175.510 -0.148 0.000 1.061 383 N CA 0.642 53.663 53.050 -0.049 0.000 0.849 383 N CB -0.342 38.163 38.487 0.031 0.000 1.044 383 N HN 0.321 nan 8.380 nan 0.000 0.429 384 H N 0.289 119.197 119.070 -0.270 0.000 2.615 384 H HA 0.243 4.799 4.556 0.001 0.000 0.363 384 H C -0.630 174.462 175.328 -0.393 0.000 1.148 384 H CA 0.090 55.924 56.048 -0.358 0.000 1.401 384 H CB 0.411 29.805 29.762 -0.613 0.000 1.461 384 H HN 0.161 nan 8.280 nan 0.000 0.588 385 N N 2.630 121.238 118.700 -0.153 0.000 2.776 385 N HA 0.221 4.962 4.740 0.001 0.000 0.245 385 N C -2.680 172.770 175.510 -0.100 0.000 1.121 385 N CA -1.384 51.590 53.050 -0.127 0.000 0.852 385 N CB 1.102 39.549 38.487 -0.066 0.000 1.142 385 N HN 0.373 nan 8.380 nan 0.000 0.514 386 P HA -0.015 nan 4.420 nan 0.000 0.252 386 P C 0.794 178.092 177.300 -0.002 0.000 1.635 386 P CA 0.015 63.091 63.100 -0.040 0.000 1.206 386 P CB 0.278 31.973 31.700 -0.009 0.000 1.911 387 E N 1.275 121.476 120.200 0.001 0.000 2.110 387 E HA -0.233 4.118 4.350 0.001 0.000 0.193 387 E C 1.511 178.130 176.600 0.032 0.000 0.988 387 E CA 1.543 57.954 56.400 0.018 0.000 0.804 387 E CB -1.439 28.266 29.700 0.009 0.000 0.745 387 E HN 0.492 nan 8.360 nan 0.000 0.458 388 c N 1.619 120.234 118.600 0.025 0.000 2.430 388 c HA 0.099 4.670 4.570 0.001 0.000 0.288 388 c C 2.448 176.573 174.090 0.059 0.000 1.448 388 c CA 0.331 56.676 56.329 0.027 0.000 1.784 388 c CB -1.584 40.930 42.510 0.006 0.000 1.776 388 c HN 0.557 nan 8.230 nan 0.000 0.547 389 I N -2.129 118.489 120.570 0.079 0.000 3.904 389 I HA 0.284 4.454 4.170 0.001 0.000 0.333 389 I C 1.597 177.841 176.117 0.212 0.000 1.361 389 I CA -0.021 61.357 61.300 0.130 0.000 1.116 389 I CB -0.334 37.718 38.000 0.087 0.000 1.028 389 I HN 0.221 nan 8.210 nan 0.000 0.398 390 L N 1.610 122.938 121.223 0.175 0.000 2.102 390 L HA 0.043 4.383 4.340 0.001 0.000 0.202 390 L C 0.906 177.925 176.870 0.248 0.000 1.076 390 L CA 0.533 55.504 54.840 0.217 0.000 0.761 390 L CB -0.836 41.301 42.059 0.130 0.000 0.921 390 L HN 0.501 nan 8.230 nan 0.000 0.444 391 N N 1.147 119.916 118.700 0.114 0.000 2.412 391 N HA -0.081 4.660 4.740 0.001 0.000 0.258 391 N C -0.189 175.200 175.510 -0.201 0.000 1.236 391 N CA -0.050 52.993 53.050 -0.012 0.000 0.882 391 N CB 0.360 38.830 38.487 -0.029 0.000 1.066 391 N HN 0.162 nan 8.380 nan 0.000 0.465 392 E N 2.887 122.783 120.200 -0.506 0.000 2.223 392 E HA 0.154 4.504 4.350 0.001 0.000 0.282 392 E C -1.983 174.282 176.600 -0.558 0.000 1.046 392 E CA -2.246 53.434 56.400 -1.200 0.000 0.857 392 E CB 0.579 29.680 29.700 -0.998 0.000 1.055 392 E HN 0.539 nan 8.360 nan 0.000 0.409 393 P HA -0.019 nan 4.420 nan 0.000 0.267 393 P C -0.521 176.685 177.300 -0.155 0.000 1.200 393 P CA 0.207 63.201 63.100 -0.176 0.000 0.772 393 P CB 0.717 32.377 31.700 -0.067 0.000 0.855 394 L N 1.621 122.785 121.223 -0.098 0.000 2.350 394 L HA 0.250 4.590 4.340 0.001 0.000 0.275 394 L C 2.219 179.051 176.870 -0.063 0.000 1.099 394 L CA -0.275 54.520 54.840 -0.076 0.000 0.808 394 L CB 0.606 42.631 42.059 -0.057 0.000 1.149 394 L HN 0.539 nan 8.230 nan 0.000 0.442 395 G N 0.821 109.584 108.800 -0.062 0.000 2.606 395 G HA2 -0.375 3.586 3.960 0.001 0.000 0.221 395 G HA3 -0.375 3.586 3.960 0.001 0.000 0.221 395 G C 1.418 176.288 174.900 -0.051 0.000 1.152 395 G CA 1.646 46.710 45.100 -0.060 0.000 0.765 395 G HN 0.774 nan 8.290 nan 0.000 0.595 396 T N -1.633 112.896 114.554 -0.041 0.000 2.929 396 T HA -0.044 4.306 4.350 0.001 0.000 0.271 396 T C 1.698 176.380 174.700 -0.031 0.000 1.085 396 T CA 1.561 63.640 62.100 -0.034 0.000 1.125 396 T CB -0.135 68.716 68.868 -0.027 0.000 0.874 396 T HN 0.220 nan 8.240 nan 0.000 0.494 397 D N 1.098 121.479 120.400 -0.032 0.000 2.312 397 D HA 0.132 4.772 4.640 0.001 0.000 0.211 397 D C 0.557 176.845 176.300 -0.021 0.000 0.964 397 D CA 0.402 54.389 54.000 -0.021 0.000 0.877 397 D CB -0.012 40.776 40.800 -0.020 0.000 0.924 397 D HN 0.496 nan 8.370 nan 0.000 0.515 398 I N 2.286 122.835 120.570 -0.036 0.000 2.337 398 I HA 0.087 4.257 4.170 0.001 0.000 0.291 398 I C 1.912 177.987 176.117 -0.071 0.000 1.046 398 I CA -0.297 60.975 61.300 -0.047 0.000 1.324 398 I CB 1.285 39.250 38.000 -0.058 0.000 1.409 398 I HN -0.132 nan 8.210 nan 0.000 0.494 399 I N 2.351 122.879 120.570 -0.070 0.000 2.876 399 I HA 0.011 4.182 4.170 0.001 0.000 0.264 399 I C 1.197 177.173 176.117 -0.235 0.000 1.204 399 I CA 0.038 61.283 61.300 -0.092 0.000 1.485 399 I CB -0.206 37.779 38.000 -0.026 0.000 1.103 399 I HN 0.549 nan 8.210 nan 0.000 0.446 400 S N 1.877 117.388 115.700 -0.315 0.000 2.565 400 S HA 0.417 4.887 4.470 0.001 0.000 0.276 400 S C -2.329 172.003 174.600 -0.447 0.000 1.326 400 S CA -1.266 56.545 58.200 -0.648 0.000 1.045 400 S CB 0.086 63.031 63.200 -0.426 0.000 0.918 400 S HN 0.027 nan 8.310 nan 0.000 0.505 401 P HA 0.145 nan 4.420 nan 0.000 0.262 401 P C -2.149 175.056 177.300 -0.158 0.000 1.182 401 P CA -0.710 62.249 63.100 -0.236 0.000 0.761 401 P CB -0.325 31.279 31.700 -0.161 0.000 0.795 402 P HA -0.011 nan 4.420 nan 0.000 0.266 402 P C -0.805 176.458 177.300 -0.063 0.000 1.195 402 P CA 0.468 63.518 63.100 -0.083 0.000 0.768 402 P CB 0.565 32.223 31.700 -0.069 0.000 0.838 403 V N 3.715 123.595 119.914 -0.056 0.000 2.483 403 V HA 0.133 4.254 4.120 0.001 0.000 0.297 403 V C 0.301 176.372 176.094 -0.039 0.000 1.027 403 V CA -0.655 61.622 62.300 -0.038 0.000 0.855 403 V CB 1.903 33.709 31.823 -0.027 0.000 0.995 403 V HN 0.801 nan 8.190 nan 0.000 0.424 404 c N 5.259 123.841 118.600 -0.031 0.000 2.442 404 c HA 0.644 5.215 4.570 0.001 0.000 0.362 404 c C 1.380 175.455 174.090 -0.024 0.000 1.242 404 c CA 0.888 57.199 56.329 -0.031 0.000 1.741 404 c CB -1.228 41.267 42.510 -0.025 0.000 2.378 404 c HN 1.456 nan 8.230 nan 0.000 0.549 405 G N 5.663 114.446 108.800 -0.030 0.000 2.183 405 G HA2 -0.227 3.733 3.960 0.001 0.000 0.168 405 G HA3 -0.227 3.733 3.960 0.001 0.000 0.168 405 G C 0.409 175.299 174.900 -0.018 0.000 1.008 405 G CA 0.301 45.390 45.100 -0.018 0.000 0.677 405 G HN 0.934 nan 8.290 nan 0.000 0.498 406 N N 0.996 119.674 118.700 -0.036 0.000 2.336 406 N HA 0.172 4.912 4.740 0.001 0.000 0.189 406 N C 0.818 176.273 175.510 -0.091 0.000 1.113 406 N CA 0.792 53.822 53.050 -0.035 0.000 0.858 406 N CB -0.178 38.289 38.487 -0.033 0.000 0.970 406 N HN 0.662 nan 8.380 nan 0.000 0.471 407 E N -0.808 119.321 120.200 -0.118 0.000 3.286 407 E HA -0.176 4.175 4.350 0.001 0.000 0.292 407 E C -0.956 175.419 176.600 -0.376 0.000 0.928 407 E CA 0.430 56.701 56.400 -0.215 0.000 0.982 407 E CB -1.723 27.866 29.700 -0.185 0.000 1.500 407 E HN 0.433 nan 8.360 nan 0.000 0.441 408 L N 1.619 122.691 121.223 -0.252 0.000 2.318 408 L HA 0.334 4.675 4.340 0.001 0.000 0.277 408 L C -0.054 176.726 176.870 -0.151 0.000 1.008 408 L CA -1.006 53.706 54.840 -0.213 0.000 0.846 408 L CB 0.994 42.962 42.059 -0.152 0.000 1.220 408 L HN 0.012 nan 8.230 nan 0.000 0.423 409 L N 4.566 125.693 121.223 -0.159 0.000 2.638 409 L HA 0.090 4.431 4.340 0.001 0.000 0.273 409 L C 0.069 176.858 176.870 -0.136 0.000 1.147 409 L CA 0.867 55.600 54.840 -0.178 0.000 0.941 409 L CB -0.156 41.730 42.059 -0.287 0.000 1.251 409 L HN 0.531 nan 8.230 nan 0.000 0.479 410 E N 2.847 122.980 120.200 -0.112 0.000 2.263 410 E HA 0.409 4.759 4.350 0.001 0.000 0.264 410 E C -0.748 175.808 176.600 -0.075 0.000 0.923 410 E CA -1.316 55.031 56.400 -0.088 0.000 0.802 410 E CB 1.717 31.368 29.700 -0.082 0.000 1.228 410 E HN 0.294 nan 8.360 nan 0.000 0.417 411 V N 1.989 121.866 119.914 -0.063 0.000 2.681 411 V HA 0.027 4.148 4.120 0.001 0.000 0.306 411 V C 1.407 177.475 176.094 -0.044 0.000 1.077 411 V CA 2.194 64.465 62.300 -0.048 0.000 1.224 411 V CB -0.016 31.781 31.823 -0.043 0.000 0.879 411 V HN 1.088 nan 8.190 nan 0.000 0.494 412 G N 3.696 112.475 108.800 -0.035 0.000 2.234 412 G HA2 -0.194 3.767 3.960 0.001 0.000 0.235 412 G HA3 -0.194 3.767 3.960 0.001 0.000 0.235 412 G C 0.004 174.886 174.900 -0.031 0.000 0.997 412 G CA 0.168 45.251 45.100 -0.029 0.000 0.623 412 G HN 0.704 nan 8.290 nan 0.000 0.514 413 E N 0.389 120.562 120.200 -0.044 0.000 2.216 413 E HA 0.515 4.866 4.350 0.001 0.000 0.279 413 E C 0.582 177.150 176.600 -0.053 0.000 0.997 413 E CA -0.465 55.905 56.400 -0.050 0.000 0.817 413 E CB 1.552 31.211 29.700 -0.068 0.000 1.096 413 E HN 0.447 nan 8.360 nan 0.000 0.393 414 E N 0.699 120.876 120.200 -0.038 0.000 2.122 414 E HA -0.033 4.317 4.350 0.001 0.000 0.190 414 E C 0.467 177.036 176.600 -0.052 0.000 0.977 414 E CA 0.729 57.115 56.400 -0.024 0.000 0.820 414 E CB 0.150 29.849 29.700 -0.003 0.000 0.770 414 E HN 0.609 nan 8.360 nan 0.000 0.462 415 c N -1.544 117.018 118.600 -0.065 0.000 3.311 415 c HA 0.611 5.181 4.570 0.001 0.000 0.325 415 c C -1.758 172.286 174.090 -0.076 0.000 1.352 415 c CA -1.270 55.009 56.329 -0.083 0.000 1.308 415 c CB 1.991 44.485 42.510 -0.026 0.000 1.619 415 c HN 0.039 nan 8.230 nan 0.000 0.469 416 D N 0.810 121.160 120.400 -0.083 0.000 2.375 416 D HA 0.336 4.976 4.640 0.001 0.000 0.241 416 D C 0.044 176.313 176.300 -0.051 0.000 1.361 416 D CA -0.082 53.876 54.000 -0.069 0.000 0.995 416 D CB 1.453 42.195 40.800 -0.097 0.000 1.312 416 D HN 1.058 nan 8.370 nan 0.000 0.576 417 c N 2.467 121.054 118.600 -0.021 0.000 2.548 417 c HA 0.814 5.384 4.570 0.001 0.000 0.297 417 c C 1.220 175.316 174.090 0.010 0.000 1.422 417 c CA 0.214 56.545 56.329 0.003 0.000 1.785 417 c CB -1.047 41.477 42.510 0.024 0.000 2.593 417 c HN 0.747 nan 8.230 nan 0.000 0.545 418 G N 2.027 110.823 108.800 -0.007 0.000 2.553 418 G HA2 -0.000 3.960 3.960 0.001 0.000 0.242 418 G HA3 -0.000 3.960 3.960 0.001 0.000 0.242 418 G C -0.040 174.868 174.900 0.014 0.000 1.277 418 G CA 0.284 45.389 45.100 0.010 0.000 0.910 418 G HN 1.531 nan 8.290 nan 0.000 0.576 419 T N -0.862 113.707 114.554 0.025 0.000 2.882 419 T HA 0.591 4.941 4.350 0.001 0.000 0.287 419 T C -1.014 173.700 174.700 0.024 0.000 1.014 419 T CA -0.425 61.688 62.100 0.022 0.000 1.049 419 T CB 1.719 70.602 68.868 0.026 0.000 1.001 419 T HN 0.341 nan 8.240 nan 0.000 0.525 420 P HA -0.111 nan 4.420 nan 0.000 0.216 420 P C 1.310 178.625 177.300 0.025 0.000 1.150 420 P CA 1.219 64.331 63.100 0.019 0.000 0.843 420 P CB 0.060 31.769 31.700 0.015 0.000 0.787 421 E N -0.869 119.347 120.200 0.027 0.000 2.072 421 E HA -0.135 4.215 4.350 0.001 0.000 0.191 421 E C 1.591 178.214 176.600 0.039 0.000 0.985 421 E CA 1.053 57.472 56.400 0.031 0.000 0.801 421 E CB -0.595 29.124 29.700 0.032 0.000 0.750 421 E HN 0.446 nan 8.360 nan 0.000 0.452 422 N N -0.017 118.710 118.700 0.045 0.000 2.424 422 N HA 0.012 4.753 4.740 0.001 0.000 0.178 422 N C 0.287 175.833 175.510 0.060 0.000 1.060 422 N CA -0.464 52.620 53.050 0.058 0.000 0.901 422 N CB 0.248 38.776 38.487 0.068 0.000 0.979 422 N HN 0.045 nan 8.380 nan 0.000 0.451 423 c N 1.790 120.419 118.600 0.048 0.000 2.590 423 c HA -0.010 4.560 4.570 0.001 0.000 0.411 423 c C 1.173 175.295 174.090 0.052 0.000 1.420 423 c CA 0.321 56.678 56.329 0.047 0.000 1.643 423 c CB -0.498 42.032 42.510 0.033 0.000 2.528 423 c HN 0.457 nan 8.230 nan 0.000 0.606 424 Q N 2.700 122.538 119.800 0.064 0.000 2.139 424 Q HA 0.196 4.536 4.340 0.001 0.000 0.219 424 Q C -0.177 175.861 176.000 0.063 0.000 0.805 424 Q CA -0.151 55.691 55.803 0.067 0.000 1.024 424 Q CB 0.162 28.952 28.738 0.087 0.000 1.163 424 Q HN 0.692 nan 8.270 nan 0.000 0.485 425 N N 1.547 120.281 118.700 0.056 0.000 2.485 425 N HA 0.029 4.770 4.740 0.001 0.000 0.243 425 N C 0.465 175.998 175.510 0.038 0.000 0.987 425 N CA 0.141 53.222 53.050 0.052 0.000 0.940 425 N CB 1.053 39.572 38.487 0.053 0.000 1.122 425 N HN 0.042 nan 8.380 nan 0.000 0.509 426 E N 1.782 122.003 120.200 0.035 0.000 2.265 426 E HA -0.085 4.265 4.350 0.001 0.000 0.196 426 E C 1.217 177.827 176.600 0.018 0.000 0.996 426 E CA 0.755 57.170 56.400 0.024 0.000 0.832 426 E CB -0.117 29.596 29.700 0.022 0.000 0.756 426 E HN 0.626 nan 8.360 nan 0.000 0.491 427 c N 0.035 118.648 118.600 0.022 0.000 2.533 427 c HA 0.168 4.738 4.570 0.001 0.000 0.272 427 c C 1.508 175.606 174.090 0.013 0.000 1.371 427 c CA -0.953 55.384 56.329 0.015 0.000 1.758 427 c CB -0.577 41.946 42.510 0.022 0.000 1.972 427 c HN 0.290 nan 8.230 nan 0.000 0.522 428 c N 1.898 120.509 118.600 0.018 0.000 2.391 428 c HA 0.503 5.073 4.570 0.001 0.000 0.339 428 c C -0.235 173.860 174.090 0.008 0.000 1.205 428 c CA -0.327 56.009 56.329 0.011 0.000 1.937 428 c CB 0.330 42.847 42.510 0.012 0.000 2.341 428 c HN 0.585 nan 8.230 nan 0.000 0.516 429 D N 2.633 123.034 120.400 0.003 0.000 2.557 429 D HA 0.446 5.087 4.640 0.001 0.000 0.236 429 D C 1.036 177.336 176.300 0.001 0.000 1.154 429 D CA 0.410 54.411 54.000 0.003 0.000 0.985 429 D CB 0.759 41.559 40.800 -0.000 0.000 1.010 429 D HN 0.708 nan 8.370 nan 0.000 0.516 430 A N 3.425 126.247 122.820 0.004 0.000 1.916 430 A HA -0.345 3.975 4.320 0.001 0.000 0.224 430 A C 2.318 179.902 177.584 -0.000 0.000 1.366 430 A CA 2.512 54.550 52.037 0.003 0.000 0.692 430 A CB -1.247 17.759 19.000 0.010 0.000 0.841 430 A HN 0.673 nan 8.150 nan 0.000 0.480 431 A N -1.803 121.018 122.820 0.002 0.000 1.986 431 A HA -0.080 4.241 4.320 0.001 0.000 0.220 431 A C 2.242 179.824 177.584 -0.004 0.000 1.171 431 A CA 2.846 54.883 52.037 0.000 0.000 0.640 431 A CB -0.930 18.072 19.000 0.002 0.000 0.811 431 A HN 1.237 nan 8.150 nan 0.000 0.451 432 T N -7.998 106.553 114.554 -0.005 0.000 3.003 432 T HA 0.208 4.558 4.350 0.001 0.000 0.261 432 T C 0.579 175.271 174.700 -0.013 0.000 1.003 432 T CA 0.636 62.732 62.100 -0.008 0.000 0.917 432 T CB -0.640 68.224 68.868 -0.006 0.000 1.084 432 T HN 0.792 nan 8.240 nan 0.000 0.522 433 c N 2.088 120.679 118.600 -0.015 0.000 4.432 433 c HA -0.080 4.490 4.570 0.001 0.000 0.294 433 c C 0.038 174.116 174.090 -0.020 0.000 1.398 433 c CA 0.312 56.627 56.329 -0.022 0.000 1.988 433 c CB -2.163 40.328 42.510 -0.031 0.000 1.251 433 c HN 0.541 nan 8.230 nan 0.000 0.791 434 K N 0.192 120.585 120.400 -0.012 0.000 2.259 434 K HA 0.700 5.020 4.320 0.001 0.000 0.252 434 K C 0.109 176.705 176.600 -0.006 0.000 0.936 434 K CA -0.455 55.827 56.287 -0.009 0.000 0.810 434 K CB 1.292 33.788 32.500 -0.007 0.000 1.143 434 K HN 0.364 nan 8.250 nan 0.000 0.427 435 L N 2.489 123.710 121.223 -0.003 0.000 2.467 435 L HA 0.116 4.456 4.340 0.001 0.000 0.270 435 L C 1.022 177.887 176.870 -0.007 0.000 1.205 435 L CA -0.298 54.540 54.840 -0.003 0.000 0.828 435 L CB 0.238 42.295 42.059 -0.003 0.000 1.101 435 L HN 0.238 nan 8.230 nan 0.000 0.479 436 K N 1.390 121.786 120.400 -0.008 0.000 2.380 436 K HA 0.096 4.416 4.320 0.001 0.000 0.267 436 K C -0.035 176.555 176.600 -0.016 0.000 0.990 436 K CA -0.062 56.219 56.287 -0.009 0.000 0.946 436 K CB 0.431 32.926 32.500 -0.008 0.000 0.937 436 K HN 0.516 nan 8.250 nan 0.000 0.491 437 S N 0.476 116.168 115.700 -0.014 0.000 2.546 437 S HA 0.237 4.708 4.470 0.001 0.000 0.290 437 S C 1.344 175.929 174.600 -0.025 0.000 1.290 437 S CA 0.771 58.960 58.200 -0.017 0.000 1.069 437 S CB 0.338 63.530 63.200 -0.012 0.000 0.846 437 S HN 0.798 nan 8.310 nan 0.000 0.495 438 G N 2.737 111.517 108.800 -0.034 0.000 2.234 438 G HA2 -0.247 3.713 3.960 0.001 0.000 0.235 438 G HA3 -0.247 3.713 3.960 0.001 0.000 0.235 438 G C 0.220 175.077 174.900 -0.071 0.000 0.997 438 G CA 0.017 45.090 45.100 -0.045 0.000 0.623 438 G HN 0.718 nan 8.290 nan 0.000 0.514 439 S N 0.488 116.147 115.700 -0.069 0.000 2.565 439 S HA 0.459 4.929 4.470 0.001 0.000 0.276 439 S C 1.146 175.652 174.600 -0.157 0.000 1.326 439 S CA 0.224 58.366 58.200 -0.098 0.000 1.045 439 S CB 1.616 64.781 63.200 -0.058 0.000 0.918 439 S HN 0.498 nan 8.310 nan 0.000 0.505 440 Q N 0.054 119.682 119.800 -0.286 0.000 2.324 440 Q HA 0.140 4.480 4.340 0.001 0.000 0.207 440 Q C 0.580 176.361 176.000 -0.365 0.000 0.928 440 Q CA 0.476 55.969 55.803 -0.517 0.000 0.890 440 Q CB 0.268 28.300 28.738 -1.176 0.000 1.001 440 Q HN 0.908 nan 8.270 nan 0.000 0.517 441 c N -4.212 114.260 118.600 -0.213 0.000 3.285 441 c HA 0.906 5.477 4.570 0.001 0.000 0.320 441 c C 0.769 174.893 174.090 0.058 0.000 1.411 441 c CA -0.306 56.041 56.329 0.030 0.000 1.429 441 c CB 1.160 43.764 42.510 0.157 0.000 1.812 441 c HN 0.308 nan 8.230 nan 0.000 0.454 442 G N -0.292 108.604 108.800 0.160 0.000 4.162 442 G HA2 0.515 4.476 3.960 0.001 0.000 0.252 442 G HA3 0.515 4.476 3.960 0.001 0.000 0.252 442 G C -0.193 174.846 174.900 0.231 0.000 1.064 442 G CA 0.689 45.875 45.100 0.143 0.000 0.850 442 G HN 1.523 nan 8.290 nan 0.000 0.454 443 H N -1.326 117.779 119.070 0.058 0.000 2.987 443 H HA 0.561 5.117 4.556 0.001 0.000 0.316 443 H C -0.168 175.204 175.328 0.073 0.000 1.380 443 H CA -0.486 55.600 56.048 0.063 0.000 1.160 443 H CB 1.267 31.059 29.762 0.051 0.000 1.865 443 H HN 1.340 nan 8.280 nan 0.000 0.521 444 G N 1.132 109.764 108.800 -0.280 0.000 2.640 444 G HA2 -0.120 3.840 3.960 0.001 0.000 0.686 444 G HA3 -0.120 3.840 3.960 0.001 0.000 0.686 444 G C -0.184 174.662 174.900 -0.090 0.000 1.229 444 G CA -0.016 44.902 45.100 -0.303 0.000 0.796 444 G HN 0.570 nan 8.290 nan 0.000 0.654 445 D N -0.356 120.008 120.400 -0.059 0.000 2.311 445 D HA -0.055 4.585 4.640 0.001 0.000 0.212 445 D C 1.781 178.077 176.300 -0.008 0.000 0.972 445 D CA 1.574 55.565 54.000 -0.016 0.000 0.887 445 D CB 0.028 40.818 40.800 -0.017 0.000 0.915 445 D HN 0.447 nan 8.370 nan 0.000 0.497 446 c N 0.511 119.099 118.600 -0.021 0.000 2.548 446 c HA 0.355 4.926 4.570 0.001 0.000 0.297 446 c C 0.525 174.659 174.090 0.073 0.000 1.422 446 c CA -1.076 55.260 56.329 0.012 0.000 1.785 446 c CB -0.790 41.706 42.510 -0.023 0.000 2.593 446 c HN 0.288 nan 8.230 nan 0.000 0.545 447 c N 2.437 121.072 118.600 0.058 0.000 2.321 447 c HA 0.522 5.092 4.570 0.001 0.000 0.323 447 c C -0.421 173.706 174.090 0.063 0.000 1.191 447 c CA -0.176 56.206 56.329 0.088 0.000 1.455 447 c CB -0.583 41.965 42.510 0.062 0.000 2.083 447 c HN 0.658 nan 8.230 nan 0.000 0.442 448 E N 3.564 123.801 120.200 0.062 0.000 2.155 448 E HA 0.318 4.668 4.350 0.001 0.000 0.264 448 E C -0.504 176.112 176.600 0.028 0.000 0.886 448 E CA -0.183 56.243 56.400 0.043 0.000 0.752 448 E CB 1.086 30.812 29.700 0.044 0.000 1.133 448 E HN 0.725 nan 8.360 nan 0.000 0.414 449 Q N 1.522 121.338 119.800 0.026 0.000 2.443 449 Q HA -0.280 4.060 4.340 0.001 0.000 0.337 449 Q C -0.283 175.716 176.000 -0.001 0.000 1.401 449 Q CA 0.391 56.203 55.803 0.015 0.000 0.943 449 Q CB -1.774 26.971 28.738 0.012 0.000 1.177 449 Q HN 0.983 nan 8.270 nan 0.000 0.394 450 c N -2.288 116.312 118.600 0.000 0.000 4.400 450 c HA -0.210 4.360 4.570 0.001 0.000 0.275 450 c C 0.601 174.637 174.090 -0.090 0.000 1.391 450 c CA 1.339 57.651 56.329 -0.028 0.000 1.816 450 c CB -1.458 41.035 42.510 -0.029 0.000 1.404 450 c HN 0.486 nan 8.230 nan 0.000 0.754 451 K N -0.563 119.793 120.400 -0.072 0.000 2.400 451 K HA 0.680 5.001 4.320 0.001 0.000 0.246 451 K C -0.315 176.278 176.600 -0.013 0.000 0.995 451 K CA -0.754 55.449 56.287 -0.139 0.000 0.840 451 K CB 0.673 33.126 32.500 -0.078 0.000 1.293 451 K HN 0.273 nan 8.250 nan 0.000 0.445 452 F N 1.247 121.198 119.950 0.002 0.000 2.495 452 F HA 0.073 4.600 4.527 0.001 0.000 0.365 452 F C 1.169 176.968 175.800 -0.001 0.000 1.090 452 F CA -0.301 57.697 58.000 -0.003 0.000 1.235 452 F CB 0.799 39.798 39.000 -0.003 0.000 1.119 452 F HN 0.234 nan 8.300 nan 0.000 0.562 453 S N 3.056 118.875 115.700 0.198 0.000 2.573 453 S HA 0.039 4.509 4.470 0.001 0.000 0.277 453 S C -0.002 174.653 174.600 0.093 0.000 1.346 453 S CA -0.731 57.533 58.200 0.107 0.000 1.034 453 S CB 0.439 63.682 63.200 0.071 0.000 0.879 453 S HN 0.425 nan 8.310 nan 0.000 0.528 454 K N 1.713 122.151 120.400 0.064 0.000 2.451 454 K HA 0.057 4.377 4.320 0.001 0.000 0.280 454 K C 0.520 177.140 176.600 0.033 0.000 1.020 454 K CA -0.031 56.285 56.287 0.048 0.000 1.008 454 K CB 0.353 32.871 32.500 0.031 0.000 0.917 454 K HN 0.546 nan 8.250 nan 0.000 0.478 455 S N 1.851 117.566 115.700 0.025 0.000 2.626 455 S HA 0.068 4.538 4.470 0.001 0.000 0.303 455 S C 1.231 175.830 174.600 -0.001 0.000 1.256 455 S CA 1.139 59.345 58.200 0.009 0.000 1.069 455 S CB -0.362 62.840 63.200 0.002 0.000 0.807 455 S HN 0.872 nan 8.310 nan 0.000 0.500 456 G N 2.966 111.770 108.800 0.007 0.000 2.176 456 G HA2 -0.241 3.719 3.960 0.001 0.000 0.232 456 G HA3 -0.241 3.719 3.960 0.001 0.000 0.232 456 G C 0.199 175.084 174.900 -0.025 0.000 0.986 456 G CA 0.290 45.364 45.100 -0.044 0.000 0.643 456 G HN 1.587 nan 8.290 nan 0.000 0.522 457 T N -0.693 113.887 114.554 0.043 0.000 2.814 457 T HA 0.507 4.857 4.350 0.001 0.000 0.297 457 T C 0.264 175.060 174.700 0.161 0.000 0.956 457 T CA 0.313 62.455 62.100 0.070 0.000 1.123 457 T CB 1.933 70.832 68.868 0.051 0.000 0.902 457 T HN 0.502 nan 8.240 nan 0.000 0.528 458 E N 1.814 122.150 120.200 0.226 0.000 2.493 458 E HA 0.083 4.434 4.350 0.001 0.000 0.255 458 E C 0.784 177.429 176.600 0.075 0.000 0.999 458 E CA -0.481 56.067 56.400 0.246 0.000 0.934 458 E CB 0.050 29.872 29.700 0.203 0.000 0.940 458 E HN 0.910 nan 8.360 nan 0.000 0.473 459 c N 3.609 122.213 118.600 0.006 0.000 3.230 459 c HA 0.435 5.005 4.570 0.001 0.000 0.300 459 c C 0.866 174.935 174.090 -0.035 0.000 1.292 459 c CA -0.767 55.555 56.329 -0.012 0.000 1.707 459 c CB -0.379 42.119 42.510 -0.019 0.000 2.181 459 c HN 0.668 nan 8.230 nan 0.000 0.655 460 R N 1.446 121.904 120.500 -0.069 0.000 2.575 460 R HA 0.575 4.916 4.340 0.001 0.000 0.292 460 R C -0.092 176.168 176.300 -0.067 0.000 1.246 460 R CA -0.028 56.036 56.100 -0.060 0.000 0.973 460 R CB 1.108 31.365 30.300 -0.071 0.000 1.187 460 R HN 0.423 nan 8.270 nan 0.000 0.478 461 A N 2.254 125.055 122.820 -0.032 0.000 2.536 461 A HA 0.089 4.409 4.320 0.001 0.000 0.234 461 A C 0.141 177.711 177.584 -0.024 0.000 1.076 461 A CA 0.206 52.230 52.037 -0.022 0.000 0.769 461 A CB 0.597 19.593 19.000 -0.008 0.000 1.020 461 A HN 0.637 nan 8.150 nan 0.000 0.508 462 S N 1.336 117.024 115.700 -0.020 0.000 2.465 462 S HA 0.341 4.811 4.470 0.001 0.000 0.279 462 S C 1.175 175.759 174.600 -0.027 0.000 1.201 462 S CA -0.457 57.730 58.200 -0.021 0.000 1.053 462 S CB -0.079 63.114 63.200 -0.011 0.000 0.953 462 S HN 0.550 nan 8.310 nan 0.000 0.488 463 M N 3.769 123.345 119.600 -0.040 0.000 2.086 463 M HA -0.010 4.471 4.480 0.001 0.000 0.261 463 M C 1.040 177.303 176.300 -0.062 0.000 1.067 463 M CA 0.999 56.264 55.300 -0.058 0.000 1.116 463 M CB -0.362 32.182 32.600 -0.093 0.000 1.348 463 M HN 0.827 nan 8.290 nan 0.000 0.407 464 S N -1.548 114.112 115.700 -0.065 0.000 2.727 464 S HA 0.168 4.638 4.470 0.001 0.000 0.278 464 S C 0.342 174.934 174.600 -0.012 0.000 1.186 464 S CA -0.587 57.589 58.200 -0.040 0.000 0.836 464 S CB 0.845 64.020 63.200 -0.042 0.000 1.186 464 S HN 0.437 nan 8.310 nan 0.000 0.499 465 E N -0.510 119.703 120.200 0.021 0.000 2.267 465 E HA -0.126 4.225 4.350 0.001 0.000 0.197 465 E C 1.141 177.833 176.600 0.153 0.000 0.998 465 E CA 1.572 58.014 56.400 0.071 0.000 0.830 465 E CB -0.684 29.051 29.700 0.058 0.000 0.751 465 E HN 0.529 nan 8.360 nan 0.000 0.491 466 c N 1.228 119.878 118.600 0.083 0.000 2.576 466 c HA 0.082 4.652 4.570 0.001 0.000 0.267 466 c C 0.644 174.681 174.090 -0.087 0.000 1.364 466 c CA -0.091 56.302 56.329 0.106 0.000 1.723 466 c CB -1.176 41.322 42.510 -0.020 0.000 1.778 466 c HN 0.355 nan 8.230 nan 0.000 0.572 467 D N 1.284 121.607 120.400 -0.128 0.000 2.432 467 D HA 0.212 4.852 4.640 0.001 0.000 0.265 467 D C -2.508 173.718 176.300 -0.123 0.000 1.160 467 D CA -2.022 51.883 54.000 -0.160 0.000 0.911 467 D CB 0.910 41.617 40.800 -0.156 0.000 1.052 467 D HN 0.142 nan 8.370 nan 0.000 0.508 468 P HA 0.174 nan 4.420 nan 0.000 0.267 468 P C -0.181 177.056 177.300 -0.104 0.000 1.209 468 P CA -0.328 62.686 63.100 -0.144 0.000 0.763 468 P CB 0.976 32.550 31.700 -0.211 0.000 0.816 469 A N 4.131 126.892 122.820 -0.098 0.000 2.406 469 A HA 0.209 4.530 4.320 0.001 0.000 0.243 469 A C 0.309 177.659 177.584 -0.390 0.000 1.082 469 A CA 0.068 51.986 52.037 -0.198 0.000 0.786 469 A CB -0.173 18.719 19.000 -0.179 0.000 1.029 469 A HN 0.518 nan 8.150 nan 0.000 0.495 470 E N 0.329 120.275 120.200 -0.424 0.000 2.212 470 E HA 0.593 4.943 4.350 0.001 0.000 0.270 470 E C -0.778 175.456 176.600 -0.610 0.000 0.956 470 E CA -0.324 55.822 56.400 -0.422 0.000 0.825 470 E CB 1.180 30.758 29.700 -0.203 0.000 1.167 470 E HN 0.641 nan 8.360 nan 0.000 0.400 471 H N -0.370 118.685 119.070 -0.025 0.000 2.747 471 H HA 0.379 4.935 4.556 0.001 0.000 0.371 471 H C -0.472 174.835 175.328 -0.034 0.000 1.161 471 H CA -0.915 55.119 56.048 -0.023 0.000 1.167 471 H CB 0.950 30.703 29.762 -0.016 0.000 1.732 471 H HN 0.471 nan 8.280 nan 0.000 0.544 472 c N 1.640 120.292 118.600 0.088 0.000 2.676 472 c HA 0.018 4.588 4.570 0.001 0.000 0.416 472 c C 2.313 176.406 174.090 0.005 0.000 1.299 472 c CA 0.315 56.653 56.329 0.015 0.000 2.048 472 c CB 0.176 42.693 42.510 0.012 0.000 2.713 472 c HN 0.949 nan 8.230 nan 0.000 0.624 473 T N -1.042 113.481 114.554 -0.050 0.000 2.978 473 T HA 0.254 4.604 4.350 0.001 0.000 0.262 473 T C 1.469 176.133 174.700 -0.059 0.000 1.063 473 T CA 1.247 63.312 62.100 -0.058 0.000 1.140 473 T CB -0.140 68.671 68.868 -0.096 0.000 0.886 473 T HN 1.736 nan 8.240 nan 0.000 0.470 474 G N 0.728 109.477 108.800 -0.085 0.000 2.195 474 G HA2 -0.234 3.726 3.960 0.001 0.000 0.224 474 G HA3 -0.234 3.726 3.960 0.001 0.000 0.224 474 G C 0.782 175.627 174.900 -0.091 0.000 0.990 474 G CA 0.374 45.459 45.100 -0.026 0.000 0.639 474 G HN 0.565 nan 8.290 nan 0.000 0.514 475 Q N -0.519 119.104 119.800 -0.294 0.000 2.280 475 Q HA 0.446 4.786 4.340 0.001 0.000 0.228 475 Q C 0.848 176.193 176.000 -1.091 0.000 0.857 475 Q CA 0.818 56.359 55.803 -0.438 0.000 0.939 475 Q CB 1.155 29.773 28.738 -0.201 0.000 1.114 475 Q HN 0.396 nan 8.270 nan 0.000 0.514 476 S N -0.896 114.158 115.700 -1.077 0.000 2.627 476 S HA 0.312 4.783 4.470 0.001 0.000 0.283 476 S C 0.371 174.563 174.600 -0.680 0.000 1.127 476 S CA -0.411 57.198 58.200 -0.985 0.000 0.863 476 S CB 1.577 64.531 63.200 -0.409 0.000 1.121 476 S HN 0.143 nan 8.310 nan 0.000 0.479 477 S N 0.802 116.351 115.700 -0.251 0.000 2.535 477 S HA 0.308 4.778 4.470 0.001 0.000 0.214 477 S C 0.048 174.574 174.600 -0.123 0.000 0.980 477 S CA -0.252 57.941 58.200 -0.011 0.000 0.907 477 S CB -0.139 63.127 63.200 0.110 0.000 0.790 477 S HN 0.617 nan 8.310 nan 0.000 0.510 478 E N 1.215 121.327 120.200 -0.147 0.000 2.266 478 E HA 0.298 4.649 4.350 0.001 0.000 0.277 478 E C -0.799 175.737 176.600 -0.108 0.000 1.018 478 E CA -0.600 55.723 56.400 -0.127 0.000 0.840 478 E CB 1.628 31.267 29.700 -0.102 0.000 1.082 478 E HN 0.291 nan 8.360 nan 0.000 0.395 479 c N 5.514 124.061 118.600 -0.088 0.000 2.435 479 c HA 0.371 4.942 4.570 0.001 0.000 0.375 479 c C -1.845 172.196 174.090 -0.082 0.000 1.281 479 c CA -1.604 54.679 56.329 -0.077 0.000 1.963 479 c CB -0.376 42.094 42.510 -0.065 0.000 2.490 479 c HN 0.515 nan 8.230 nan 0.000 0.557 480 P HA 0.142 nan 4.420 nan 0.000 0.267 480 P C -0.242 177.001 177.300 -0.096 0.000 1.201 480 P CA 0.221 63.270 63.100 -0.084 0.000 0.775 480 P CB 0.395 32.049 31.700 -0.076 0.000 0.854 481 A N 1.918 124.679 122.820 -0.098 0.000 2.555 481 A HA -0.035 4.286 4.320 0.001 0.000 0.233 481 A C 0.565 178.059 177.584 -0.150 0.000 1.060 481 A CA 0.142 52.107 52.037 -0.120 0.000 0.759 481 A CB -0.425 18.505 19.000 -0.117 0.000 0.995 481 A HN 0.586 nan 8.150 nan 0.000 0.506 482 D N 1.131 121.413 120.400 -0.195 0.000 2.371 482 D HA 0.362 5.002 4.640 0.001 0.000 0.256 482 D C -0.537 175.548 176.300 -0.358 0.000 1.193 482 D CA 0.373 54.218 54.000 -0.258 0.000 0.881 482 D CB 0.587 41.199 40.800 -0.312 0.000 1.143 482 D HN 0.141 nan 8.370 nan 0.000 0.473 483 V N 5.476 125.241 119.914 -0.248 0.000 2.513 483 V HA 0.462 4.582 4.120 0.001 0.000 0.299 483 V C 0.036 176.111 176.094 -0.032 0.000 1.035 483 V CA -0.702 61.480 62.300 -0.197 0.000 0.889 483 V CB 1.383 33.140 31.823 -0.111 0.000 0.988 483 V HN 0.425 nan 8.190 nan 0.000 0.440 484 F N 2.420 122.276 119.950 -0.157 0.000 2.538 484 F HA 0.552 5.079 4.527 0.001 0.000 0.325 484 F C 0.524 176.239 175.800 -0.143 0.000 1.066 484 F CA -1.186 56.705 58.000 -0.183 0.000 0.946 484 F CB 1.891 40.813 39.000 -0.130 0.000 1.199 484 F HN 0.500 nan 8.300 nan 0.000 0.473 485 H N 1.400 120.550 119.070 0.132 0.000 2.603 485 H HA 0.170 4.726 4.556 0.001 0.000 0.370 485 H C -0.337 175.010 175.328 0.032 0.000 1.225 485 H CA -0.262 55.819 56.048 0.055 0.000 1.410 485 H CB 0.773 30.547 29.762 0.020 0.000 1.495 485 H HN 0.380 nan 8.280 nan 0.000 0.602 486 K N 1.537 122.031 120.400 0.156 0.000 2.485 486 K HA 0.002 4.322 4.320 0.001 0.000 0.277 486 K C 0.228 176.816 176.600 -0.020 0.000 0.990 486 K CA 0.187 56.508 56.287 0.056 0.000 0.994 486 K CB 0.353 32.881 32.500 0.047 0.000 0.906 486 K HN 0.522 nan 8.250 nan 0.000 0.488 487 N N 0.519 119.132 118.700 -0.145 0.000 2.518 487 N HA 0.052 4.793 4.740 0.001 0.000 0.266 487 N C 0.874 176.146 175.510 -0.397 0.000 1.196 487 N CA 0.504 53.303 53.050 -0.418 0.000 0.947 487 N CB 0.765 38.752 38.487 -0.833 0.000 1.098 487 N HN 0.803 nan 8.380 nan 0.000 0.450 488 G N 0.684 109.333 108.800 -0.252 0.000 2.195 488 G HA2 -0.318 3.642 3.960 0.001 0.000 0.246 488 G HA3 -0.318 3.642 3.960 0.001 0.000 0.246 488 G C 0.107 175.170 174.900 0.271 0.000 0.984 488 G CA -0.132 45.045 45.100 0.129 0.000 0.633 488 G HN 0.655 nan 8.290 nan 0.000 0.525 489 Q N 1.521 121.417 119.800 0.159 0.000 2.297 489 Q HA 0.461 4.801 4.340 0.001 0.000 0.267 489 Q C -2.308 173.782 176.000 0.150 0.000 1.006 489 Q CA -1.621 54.267 55.803 0.141 0.000 0.896 489 Q CB 0.828 29.598 28.738 0.053 0.000 1.186 489 Q HN 0.216 nan 8.270 nan 0.000 0.392 490 P HA -0.051 nan 4.420 nan 0.000 0.265 490 P C -1.056 176.201 177.300 -0.073 0.000 1.193 490 P CA -0.084 62.953 63.100 -0.105 0.000 0.765 490 P CB 0.381 32.027 31.700 -0.089 0.000 0.823 491 c N 1.248 119.785 118.600 -0.105 0.000 3.236 491 c HA 0.586 5.156 4.570 0.001 0.000 0.312 491 c C -0.078 174.009 174.090 -0.005 0.000 1.374 491 c CA -1.287 55.025 56.329 -0.028 0.000 1.455 491 c CB 0.157 42.673 42.510 0.011 0.000 1.834 491 c HN 0.582 nan 8.230 nan 0.000 0.460 492 L N 1.516 122.753 121.223 0.024 0.000 3.713 492 L HA -0.168 4.172 4.340 0.001 0.000 0.499 492 L C -0.093 176.806 176.870 0.049 0.000 1.281 492 L CA 1.191 56.051 54.840 0.034 0.000 0.796 492 L CB -1.569 40.525 42.059 0.057 0.000 1.535 492 L HN 1.030 nan 8.230 nan 0.000 0.851 493 D N 0.567 120.992 120.400 0.041 0.000 2.697 493 D HA -0.209 4.432 4.640 0.001 0.000 0.238 493 D C 0.663 177.066 176.300 0.170 0.000 1.152 493 D CA 1.383 55.431 54.000 0.079 0.000 0.666 493 D CB -0.713 40.121 40.800 0.055 0.000 1.037 493 D HN 0.834 nan 8.370 nan 0.000 0.423 494 N N -1.471 117.257 118.700 0.046 0.000 2.740 494 N HA -0.267 4.474 4.740 0.001 0.000 0.248 494 N C 0.058 175.515 175.510 -0.088 0.000 1.062 494 N CA 0.833 53.844 53.050 -0.066 0.000 0.704 494 N CB -1.291 37.153 38.487 -0.072 0.000 0.968 494 N HN 0.490 nan 8.380 nan 0.000 0.547 495 Y N -1.528 118.670 120.300 -0.171 0.000 2.444 495 Y HA 0.447 4.997 4.550 0.001 0.000 0.252 495 Y C 1.673 177.483 175.900 -0.150 0.000 1.091 495 Y CA 0.631 58.651 58.100 -0.133 0.000 1.276 495 Y CB 0.994 39.399 38.460 -0.091 0.000 1.170 495 Y HN 0.232 nan 8.280 nan 0.000 0.517 496 G N -1.854 106.883 108.800 -0.105 0.000 2.721 496 G HA2 0.500 4.460 3.960 0.001 0.000 0.296 496 G HA3 0.500 4.460 3.960 0.001 0.000 0.296 496 G C -2.241 172.448 174.900 -0.352 0.000 1.383 496 G CA -0.599 44.432 45.100 -0.115 0.000 0.788 496 G HN -0.133 nan 8.290 nan 0.000 0.500 497 Y N -0.910 119.446 120.300 0.093 0.000 2.442 497 Y HA 0.427 4.977 4.550 0.001 0.000 0.344 497 Y C 0.553 176.503 175.900 0.083 0.000 0.976 497 Y CA -0.817 57.337 58.100 0.089 0.000 1.040 497 Y CB 1.828 40.364 38.460 0.127 0.000 1.228 497 Y HN 0.598 nan 8.280 nan 0.000 0.451 498 c N 2.923 121.627 118.600 0.174 0.000 2.611 498 c HA 0.019 4.590 4.570 0.001 0.000 0.416 498 c C -0.265 173.864 174.090 0.065 0.000 1.366 498 c CA 0.185 56.562 56.329 0.079 0.000 1.761 498 c CB -1.613 40.916 42.510 0.031 0.000 2.619 498 c HN 0.681 nan 8.230 nan 0.000 0.606 499 Y N 4.162 124.407 120.300 -0.092 0.000 2.317 499 Y HA 0.287 4.837 4.550 0.001 0.000 0.325 499 Y C 0.189 176.011 175.900 -0.129 0.000 1.066 499 Y CA -0.798 57.240 58.100 -0.103 0.000 1.203 499 Y CB 0.059 38.539 38.460 0.034 0.000 1.127 499 Y HN 0.854 nan 8.280 nan 0.000 0.451 500 N N 4.348 122.694 118.700 -0.591 0.000 2.727 500 N HA -0.202 4.538 4.740 0.001 0.000 0.249 500 N C 0.952 175.887 175.510 -0.958 0.000 1.048 500 N CA 1.819 54.543 53.050 -0.544 0.000 0.714 500 N CB -1.176 36.940 38.487 -0.619 0.000 0.959 500 N HN 1.499 nan 8.380 nan 0.000 0.544 501 G N -1.718 106.457 108.800 -1.043 0.000 2.157 501 G HA2 -0.301 3.659 3.960 0.001 0.000 0.248 501 G HA3 -0.301 3.659 3.960 0.001 0.000 0.248 501 G C -0.006 174.549 174.900 -0.574 0.000 0.979 501 G CA 0.393 44.718 45.100 -1.291 0.000 0.650 501 G HN 0.566 nan 8.290 nan 0.000 0.529 502 N N -1.367 117.134 118.700 -0.331 0.000 2.629 502 N HA 0.588 5.329 4.740 0.001 0.000 0.279 502 N C -0.924 174.581 175.510 -0.009 0.000 1.344 502 N CA 0.087 53.058 53.050 -0.132 0.000 0.789 502 N CB 1.776 40.214 38.487 -0.081 0.000 1.508 502 N HN 0.273 nan 8.380 nan 0.000 0.516 503 c N 2.880 121.506 118.600 0.042 0.000 3.273 503 c HA 0.368 4.939 4.570 0.001 0.000 0.227 503 c C -2.407 171.763 174.090 0.133 0.000 1.409 503 c CA -1.529 54.855 56.329 0.093 0.000 1.516 503 c CB -1.052 41.507 42.510 0.082 0.000 1.853 503 c HN 0.431 nan 8.230 nan 0.000 0.472 504 P HA 0.249 nan 4.420 nan 0.000 0.267 504 P C -0.561 176.819 177.300 0.133 0.000 1.209 504 P CA 0.813 63.996 63.100 0.138 0.000 0.763 504 P CB 0.483 32.264 31.700 0.135 0.000 0.816 505 I N -0.480 120.168 120.570 0.131 0.000 2.865 505 I HA 0.306 4.476 4.170 0.001 0.000 0.302 505 I C 1.327 177.512 176.117 0.113 0.000 1.140 505 I CA -1.432 59.936 61.300 0.112 0.000 1.021 505 I CB 1.791 39.842 38.000 0.084 0.000 1.233 505 I HN -0.022 nan 8.210 nan 0.000 0.427 506 M N 2.164 121.843 119.600 0.132 0.000 2.110 506 M HA -0.230 4.250 4.480 0.001 0.000 0.257 506 M C 2.038 178.453 176.300 0.192 0.000 1.071 506 M CA 2.354 57.753 55.300 0.165 0.000 1.096 506 M CB -1.512 31.199 32.600 0.186 0.000 1.300 506 M HN 0.932 nan 8.290 nan 0.000 0.411 507 Y N 1.165 121.501 120.300 0.059 0.000 2.069 507 Y HA -0.304 4.247 4.550 0.001 0.000 0.278 507 Y C 2.622 178.570 175.900 0.080 0.000 1.175 507 Y CA 2.131 60.257 58.100 0.044 0.000 1.134 507 Y CB -0.924 37.506 38.460 -0.049 0.000 0.965 507 Y HN 0.332 nan 8.280 nan 0.000 0.498 508 H N -0.026 118.980 119.070 -0.107 0.000 2.387 508 H HA -0.120 4.437 4.556 0.001 0.000 0.299 508 H C 2.218 177.484 175.328 -0.104 0.000 1.090 508 H CA 1.785 57.724 56.048 -0.182 0.000 1.332 508 H CB -0.489 29.237 29.762 -0.061 0.000 1.386 508 H HN 0.560 nan 8.280 nan 0.000 0.516 509 Q N -0.580 119.253 119.800 0.056 0.000 2.170 509 Q HA -0.121 4.220 4.340 0.001 0.000 0.203 509 Q C 2.582 178.493 176.000 -0.149 0.000 0.976 509 Q CA 1.358 57.136 55.803 -0.043 0.000 0.858 509 Q CB -0.046 28.682 28.738 -0.016 0.000 0.907 509 Q HN 0.384 nan 8.270 nan 0.000 0.433 510 c N -0.411 118.134 118.600 -0.091 0.000 2.466 510 c HA -0.139 4.432 4.570 0.001 0.000 0.278 510 c C 2.486 176.441 174.090 -0.225 0.000 1.288 510 c CA 0.465 56.706 56.329 -0.146 0.000 1.722 510 c CB -0.950 41.602 42.510 0.070 0.000 2.017 510 c HN 0.581 nan 8.230 nan 0.000 0.488 511 Y N 2.495 122.623 120.300 -0.287 0.000 2.165 511 Y HA -0.188 4.362 4.550 0.001 0.000 0.286 511 Y C 2.028 177.772 175.900 -0.260 0.000 1.155 511 Y CA 1.978 59.909 58.100 -0.282 0.000 1.164 511 Y CB -0.730 37.516 38.460 -0.357 0.000 0.978 511 Y HN 0.356 nan 8.280 nan 0.000 0.513 512 D N 0.159 120.274 120.400 -0.475 0.000 2.309 512 D HA -0.155 4.485 4.640 0.001 0.000 0.212 512 D C 2.054 178.013 176.300 -0.567 0.000 0.968 512 D CA 1.347 55.019 54.000 -0.546 0.000 0.882 512 D CB 0.019 40.629 40.800 -0.316 0.000 0.918 512 D HN 0.449 nan 8.370 nan 0.000 0.503 513 L N -1.461 119.372 121.223 -0.649 0.000 2.286 513 L HA 0.102 4.442 4.340 0.001 0.000 0.203 513 L C 1.448 177.919 176.870 -0.665 0.000 1.068 513 L CA 0.441 54.774 54.840 -0.845 0.000 0.811 513 L CB 0.091 41.357 42.059 -1.322 0.000 0.989 513 L HN -0.078 nan 8.230 nan 0.000 0.467 514 F N -0.501 119.334 119.950 -0.192 0.000 2.706 514 F HA 0.446 4.974 4.527 0.001 0.000 0.313 514 F C 1.233 176.949 175.800 -0.140 0.000 1.096 514 F CA -0.011 57.913 58.000 -0.127 0.000 1.219 514 F CB 0.629 39.590 39.000 -0.064 0.000 1.051 514 F HN 0.117 nan 8.300 nan 0.000 0.568 515 G N 1.359 110.069 108.800 -0.150 0.000 2.660 515 G HA2 0.034 3.995 3.960 0.001 0.000 0.215 515 G HA3 0.034 3.995 3.960 0.001 0.000 0.215 515 G C -0.185 174.845 174.900 0.218 0.000 1.345 515 G CA -0.827 44.202 45.100 -0.118 0.000 0.877 515 G HN 0.522 nan 8.290 nan 0.000 0.549 516 A N -0.954 122.057 122.820 0.319 0.000 2.366 516 A HA 0.528 4.848 4.320 0.001 0.000 0.250 516 A C 1.271 178.878 177.584 0.039 0.000 1.099 516 A CA 1.411 53.568 52.037 0.201 0.000 0.794 516 A CB -0.156 18.919 19.000 0.125 0.000 1.056 516 A HN 1.865 nan 8.150 nan 0.000 0.499 517 D N -2.170 118.197 120.400 -0.055 0.000 3.039 517 D HA -0.141 4.500 4.640 0.001 0.000 0.222 517 D C -0.393 175.643 176.300 -0.439 0.000 1.179 517 D CA 1.398 55.310 54.000 -0.147 0.000 0.880 517 D CB -1.623 39.205 40.800 0.046 0.000 1.115 517 D HN 0.294 nan 8.370 nan 0.000 0.416 518 V N 0.756 120.381 119.914 -0.482 0.000 2.459 518 V HA 0.515 4.635 4.120 0.001 0.000 0.295 518 V C -0.011 175.824 176.094 -0.432 0.000 1.029 518 V CA -0.609 61.506 62.300 -0.308 0.000 0.874 518 V CB 1.536 33.400 31.823 0.067 0.000 0.985 518 V HN -0.003 nan 8.190 nan 0.000 0.438 519 Y N 0.807 121.287 120.300 0.299 0.000 2.693 519 Y HA 0.514 5.064 4.550 0.001 0.000 0.331 519 Y C 0.374 176.449 175.900 0.292 0.000 1.092 519 Y CA -1.370 56.933 58.100 0.339 0.000 1.131 519 Y CB 0.806 39.401 38.460 0.225 0.000 1.318 519 Y HN 0.627 nan 8.280 nan 0.000 0.510 520 E N 1.263 121.743 120.200 0.466 0.000 2.384 520 E HA 0.445 4.795 4.350 0.001 0.000 0.266 520 E C -0.507 176.314 176.600 0.368 0.000 1.012 520 E CA -0.296 56.341 56.400 0.395 0.000 0.901 520 E CB 0.729 30.631 29.700 0.337 0.000 0.967 520 E HN 0.711 nan 8.360 nan 0.000 0.435 521 A N 4.393 127.464 122.820 0.419 0.000 2.296 521 A HA 0.153 4.473 4.320 0.001 0.000 0.264 521 A C 0.025 177.821 177.584 0.354 0.000 1.097 521 A CA -0.543 51.699 52.037 0.342 0.000 0.811 521 A CB 0.369 19.537 19.000 0.280 0.000 1.072 521 A HN 0.764 nan 8.150 nan 0.000 0.495 522 E N 0.195 120.529 120.200 0.224 0.000 2.422 522 E HA -0.009 4.341 4.350 0.001 0.000 0.260 522 E C 0.228 176.964 176.600 0.227 0.000 1.108 522 E CA -0.129 56.370 56.400 0.164 0.000 0.943 522 E CB 0.376 30.131 29.700 0.092 0.000 0.961 522 E HN 0.584 nan 8.360 nan 0.000 0.443 523 D N 0.964 121.440 120.400 0.127 0.000 2.133 523 D HA -0.196 4.445 4.640 0.001 0.000 0.192 523 D C 1.882 178.273 176.300 0.152 0.000 1.001 523 D CA 2.139 56.203 54.000 0.107 0.000 0.844 523 D CB -0.365 40.442 40.800 0.012 0.000 0.944 523 D HN 0.490 nan 8.370 nan 0.000 0.447 524 S N -0.051 115.695 115.700 0.077 0.000 2.380 524 S HA -0.263 4.207 4.470 0.001 0.000 0.229 524 S C 2.382 176.967 174.600 -0.025 0.000 1.043 524 S CA 1.427 59.643 58.200 0.026 0.000 1.038 524 S CB -1.095 62.109 63.200 0.007 0.000 0.872 524 S HN 0.364 nan 8.310 nan 0.000 0.456 525 c N 0.710 119.288 118.600 -0.037 0.000 2.413 525 c HA 0.044 4.614 4.570 0.001 0.000 0.277 525 c C 2.281 175.968 174.090 -0.672 0.000 1.265 525 c CA 0.553 56.694 56.329 -0.314 0.000 1.752 525 c CB -1.912 40.438 42.510 -0.267 0.000 1.998 525 c HN 0.622 nan 8.230 nan 0.000 0.489 526 F N 1.229 120.970 119.950 -0.348 0.000 2.641 526 F HA -0.053 4.474 4.527 0.001 0.000 0.298 526 F C 2.130 177.840 175.800 -0.150 0.000 1.146 526 F CA 1.025 58.896 58.000 -0.215 0.000 1.464 526 F CB -0.737 38.277 39.000 0.024 0.000 1.101 526 F HN 0.406 nan 8.300 nan 0.000 0.585 527 E N -0.235 119.944 120.200 -0.034 0.000 2.418 527 E HA -0.118 4.233 4.350 0.001 0.000 0.197 527 E C 2.022 178.585 176.600 -0.061 0.000 1.026 527 E CA 0.189 56.577 56.400 -0.020 0.000 0.862 527 E CB -0.117 29.569 29.700 -0.024 0.000 0.799 527 E HN 0.423 nan 8.360 nan 0.000 0.518 528 R N 0.689 121.093 120.500 -0.160 0.000 2.193 528 R HA -0.063 4.278 4.340 0.001 0.000 0.229 528 R C 1.408 177.695 176.300 -0.022 0.000 1.110 528 R CA 0.926 56.968 56.100 -0.096 0.000 0.988 528 R CB -0.198 30.049 30.300 -0.088 0.000 0.871 528 R HN 0.238 nan 8.270 nan 0.000 0.458 529 N N 0.435 119.166 118.700 0.051 0.000 2.571 529 N HA -0.109 4.631 4.740 0.001 0.000 0.189 529 N C 1.117 176.637 175.510 0.017 0.000 1.154 529 N CA 0.268 53.356 53.050 0.063 0.000 0.907 529 N CB 0.189 38.759 38.487 0.138 0.000 0.977 529 N HN 0.340 nan 8.380 nan 0.000 0.449 530 Q N 0.448 120.246 119.800 -0.003 0.000 2.354 530 Q HA 0.037 4.377 4.340 0.001 0.000 0.203 530 Q C 1.364 177.348 176.000 -0.028 0.000 0.933 530 Q CA 0.502 56.302 55.803 -0.006 0.000 0.901 530 Q CB 0.241 28.976 28.738 -0.004 0.000 1.007 530 Q HN 0.305 nan 8.270 nan 0.000 0.495 531 K N 0.250 120.611 120.400 -0.064 0.000 2.074 531 K HA -0.128 4.192 4.320 0.001 0.000 0.209 531 K C 1.232 177.786 176.600 -0.076 0.000 1.048 531 K CA 1.065 57.298 56.287 -0.091 0.000 0.926 531 K CB -0.219 32.176 32.500 -0.174 0.000 0.713 531 K HN 0.372 nan 8.250 nan 0.000 0.444 532 G N 2.224 110.987 108.800 -0.062 0.000 2.160 532 G HA2 -0.289 3.672 3.960 0.001 0.000 0.251 532 G HA3 -0.289 3.672 3.960 0.001 0.000 0.251 532 G C -0.028 174.838 174.900 -0.056 0.000 1.008 532 G CA 0.560 45.650 45.100 -0.017 0.000 0.724 532 G HN 0.507 nan 8.290 nan 0.000 0.514 533 N N -0.214 118.399 118.700 -0.146 0.000 2.386 533 N HA 0.388 5.128 4.740 0.001 0.000 0.291 533 N C 1.554 176.988 175.510 -0.127 0.000 1.309 533 N CA 0.142 53.097 53.050 -0.159 0.000 0.948 533 N CB -0.454 37.871 38.487 -0.270 0.000 1.083 533 N HN 0.615 nan 8.380 nan 0.000 0.527 534 Y N -2.221 117.965 120.300 -0.190 0.000 2.497 534 Y HA -0.003 4.548 4.550 0.001 0.000 0.292 534 Y C 1.259 177.069 175.900 -0.150 0.000 1.137 534 Y CA 0.959 58.946 58.100 -0.188 0.000 1.285 534 Y CB -0.495 37.813 38.460 -0.252 0.000 0.991 534 Y HN 0.612 nan 8.280 nan 0.000 0.556 535 Y N -1.402 118.563 120.300 -0.560 0.000 2.476 535 Y HA 0.560 5.110 4.550 0.001 0.000 0.274 535 Y C 1.166 176.935 175.900 -0.217 0.000 1.120 535 Y CA -0.713 57.149 58.100 -0.397 0.000 1.214 535 Y CB -0.227 37.775 38.460 -0.764 0.000 1.285 535 Y HN -0.093 nan 8.280 nan 0.000 0.520 536 G N 1.937 110.386 108.800 -0.584 0.000 3.058 536 G HA2 0.447 4.407 3.960 0.001 0.000 0.316 536 G HA3 0.447 4.407 3.960 0.001 0.000 0.316 536 G C -1.137 173.729 174.900 -0.057 0.000 0.951 536 G CA -0.242 44.703 45.100 -0.258 0.000 1.535 536 G HN 0.500 nan 8.290 nan 0.000 0.500 537 Y N -2.005 118.261 120.300 -0.058 0.000 2.705 537 Y HA 0.655 5.206 4.550 0.001 0.000 0.332 537 Y C 0.413 176.318 175.900 0.007 0.000 1.157 537 Y CA -1.369 56.712 58.100 -0.032 0.000 1.091 537 Y CB 0.925 39.368 38.460 -0.029 0.000 1.301 537 Y HN 0.001 nan 8.280 nan 0.000 0.488 538 c N -0.148 118.555 118.600 0.171 0.000 2.689 538 c HA 0.457 5.028 4.570 0.001 0.000 0.336 538 c C 0.258 174.423 174.090 0.125 0.000 1.304 538 c CA 0.429 56.789 56.329 0.052 0.000 1.860 538 c CB -0.402 42.088 42.510 -0.033 0.000 2.405 538 c HN 0.903 nan 8.230 nan 0.000 0.557 539 R N -0.701 119.957 120.500 0.263 0.000 2.764 539 R HA 0.438 4.778 4.340 0.001 0.000 0.276 539 R C -1.882 174.533 176.300 0.192 0.000 1.021 539 R CA -0.774 55.463 56.100 0.228 0.000 0.870 539 R CB 0.708 31.064 30.300 0.095 0.000 1.293 539 R HN -0.099 nan 8.270 nan 0.000 0.469 540 K N 0.964 121.434 120.400 0.117 0.000 2.345 540 K HA 0.292 4.612 4.320 0.001 0.000 0.255 540 K C -1.075 175.540 176.600 0.024 0.000 0.934 540 K CA -0.919 55.385 56.287 0.027 0.000 0.801 540 K CB 2.123 34.630 32.500 0.011 0.000 1.137 540 K HN 0.448 nan 8.250 nan 0.000 0.424 541 E N 2.785 122.988 120.200 0.005 0.000 2.102 541 E HA 0.143 4.493 4.350 0.001 0.000 0.263 541 E C -0.263 176.338 176.600 0.003 0.000 0.894 541 E CA -0.381 56.026 56.400 0.011 0.000 0.746 541 E CB 0.867 30.575 29.700 0.013 0.000 1.129 541 E HN 0.543 nan 8.360 nan 0.000 0.416 542 N N 2.448 121.152 118.700 0.007 0.000 2.650 542 N HA -0.283 4.457 4.740 0.001 0.000 0.249 542 N C 0.860 176.371 175.510 0.002 0.000 1.155 542 N CA 1.471 54.525 53.050 0.006 0.000 0.747 542 N CB -0.634 37.857 38.487 0.007 0.000 1.132 542 N HN 0.872 nan 8.380 nan 0.000 0.564 543 G N -1.443 107.354 108.800 -0.005 0.000 2.255 543 G HA2 -0.223 3.738 3.960 0.001 0.000 0.196 543 G HA3 -0.223 3.738 3.960 0.001 0.000 0.196 543 G C -0.199 174.676 174.900 -0.040 0.000 0.998 543 G CA -0.038 45.054 45.100 -0.013 0.000 0.656 543 G HN 0.355 nan 8.290 nan 0.000 0.490 544 N N 1.274 119.949 118.700 -0.043 0.000 2.479 544 N HA 0.402 5.142 4.740 0.001 0.000 0.285 544 N C -0.293 175.149 175.510 -0.112 0.000 1.075 544 N CA -0.093 52.918 53.050 -0.065 0.000 0.967 544 N CB 1.222 39.687 38.487 -0.036 0.000 1.137 544 N HN 0.318 nan 8.380 nan 0.000 0.472 545 K N 1.861 122.149 120.400 -0.187 0.000 2.276 545 K HA 0.333 4.653 4.320 0.001 0.000 0.285 545 K C -0.125 176.412 176.600 -0.106 0.000 1.062 545 K CA -0.395 55.704 56.287 -0.314 0.000 0.918 545 K CB 0.964 33.105 32.500 -0.599 0.000 1.055 545 K HN 0.339 nan 8.250 nan 0.000 0.477 546 I N 6.060 126.626 120.570 -0.008 0.000 2.353 546 I HA 0.215 4.386 4.170 0.001 0.000 0.293 546 I C -1.816 174.352 176.117 0.085 0.000 0.992 546 I CA -3.146 58.176 61.300 0.037 0.000 1.268 546 I CB 0.691 38.714 38.000 0.039 0.000 1.387 546 I HN 0.420 nan 8.210 nan 0.000 0.478 547 P HA 0.090 nan 4.420 nan 0.000 0.272 547 P C -0.563 176.756 177.300 0.032 0.000 1.223 547 P CA -0.315 62.814 63.100 0.049 0.000 0.784 547 P CB 0.806 32.517 31.700 0.018 0.000 0.923 548 c N 1.966 120.583 118.600 0.028 0.000 2.514 548 c HA 0.492 5.062 4.570 0.001 0.000 0.392 548 c C 1.306 175.403 174.090 0.011 0.000 1.294 548 c CA -0.076 56.258 56.329 0.008 0.000 1.957 548 c CB -0.270 42.257 42.510 0.028 0.000 2.541 548 c HN 0.610 nan 8.230 nan 0.000 0.569 549 A N 5.510 128.334 122.820 0.006 0.000 2.351 549 A HA 0.404 4.724 4.320 0.001 0.000 0.257 549 A C -1.138 176.460 177.584 0.022 0.000 1.087 549 A CA -0.825 51.224 52.037 0.021 0.000 0.798 549 A CB -0.168 18.855 19.000 0.038 0.000 1.033 549 A HN 0.698 nan 8.150 nan 0.000 0.488 550 P HA -0.232 nan 4.420 nan 0.000 0.218 550 P C 0.747 178.059 177.300 0.020 0.000 1.152 550 P CA 2.033 65.144 63.100 0.019 0.000 0.857 550 P CB 0.179 31.887 31.700 0.013 0.000 0.787 551 E N -0.862 119.351 120.200 0.022 0.000 2.072 551 E HA -0.117 4.233 4.350 0.001 0.000 0.190 551 E C 1.311 177.924 176.600 0.022 0.000 0.982 551 E CA 1.096 57.509 56.400 0.020 0.000 0.803 551 E CB -0.815 28.902 29.700 0.029 0.000 0.755 551 E HN 0.342 nan 8.360 nan 0.000 0.453 552 D N 0.373 120.790 120.400 0.028 0.000 2.336 552 D HA 0.001 4.642 4.640 0.001 0.000 0.229 552 D C 1.452 177.768 176.300 0.026 0.000 1.061 552 D CA 0.067 54.075 54.000 0.013 0.000 0.875 552 D CB 0.316 41.093 40.800 -0.040 0.000 0.904 552 D HN -0.022 nan 8.370 nan 0.000 0.525 553 V N 1.353 121.296 119.914 0.048 0.000 2.277 553 V HA -0.272 3.848 4.120 0.001 0.000 0.253 553 V C 2.205 178.420 176.094 0.201 0.000 1.067 553 V CA 1.660 64.027 62.300 0.112 0.000 1.047 553 V CB -0.197 31.689 31.823 0.106 0.000 0.649 553 V HN 0.173 nan 8.190 nan 0.000 0.447 554 K N -1.054 119.393 120.400 0.078 0.000 2.555 554 K HA 0.011 4.331 4.320 0.001 0.000 0.193 554 K C 1.353 178.018 176.600 0.108 0.000 1.032 554 K CA 0.687 56.978 56.287 0.007 0.000 1.004 554 K CB -0.518 31.847 32.500 -0.225 0.000 0.804 554 K HN 0.526 nan 8.250 nan 0.000 0.496 555 c N -0.306 118.353 118.600 0.098 0.000 3.104 555 c HA 0.256 4.826 4.570 0.001 0.000 0.284 555 c C 1.618 175.738 174.090 0.049 0.000 1.326 555 c CA -0.710 55.655 56.329 0.060 0.000 1.725 555 c CB -0.417 42.100 42.510 0.011 0.000 2.156 555 c HN 0.459 nan 8.230 nan 0.000 0.638 556 G N 0.642 109.494 108.800 0.087 0.000 3.329 556 G HA2 0.356 4.317 3.960 0.001 0.000 0.180 556 G HA3 0.356 4.317 3.960 0.001 0.000 0.180 556 G C -0.022 174.835 174.900 -0.070 0.000 1.640 556 G CA -0.220 44.873 45.100 -0.012 0.000 1.018 556 G HN 0.319 nan 8.290 nan 0.000 0.581 557 R N -0.405 120.006 120.500 -0.148 0.000 2.543 557 R HA 0.349 4.689 4.340 0.001 0.000 0.277 557 R C -0.442 175.624 176.300 -0.390 0.000 1.074 557 R CA -0.483 55.430 56.100 -0.311 0.000 1.076 557 R CB 0.423 30.501 30.300 -0.370 0.000 0.993 557 R HN 0.286 nan 8.270 nan 0.000 0.459 558 L N 5.015 125.996 121.223 -0.403 0.000 2.292 558 L HA 0.398 4.738 4.340 0.001 0.000 0.284 558 L C -1.514 174.979 176.870 -0.629 0.000 1.065 558 L CA -0.050 54.612 54.840 -0.296 0.000 0.806 558 L CB 0.560 42.561 42.059 -0.096 0.000 1.175 558 L HN 0.606 nan 8.230 nan 0.000 0.431 559 Y N 3.422 123.468 120.300 -0.424 0.000 2.429 559 Y HA 0.662 5.212 4.550 0.001 0.000 0.342 559 Y C 0.020 175.929 175.900 0.015 0.000 1.004 559 Y CA -0.542 57.380 58.100 -0.297 0.000 1.075 559 Y CB 1.839 39.934 38.460 -0.609 0.000 1.214 559 Y HN 0.614 nan 8.280 nan 0.000 0.455 560 c N 1.837 120.604 118.600 0.278 0.000 2.802 560 c HA 0.633 5.203 4.570 0.001 0.000 0.307 560 c C -0.796 173.434 174.090 0.233 0.000 1.222 560 c CA -1.620 54.902 56.329 0.321 0.000 1.580 560 c CB 1.690 44.471 42.510 0.452 0.000 2.119 560 c HN 0.861 nan 8.230 nan 0.000 0.479 561 K N 0.863 121.413 120.400 0.250 0.000 2.159 561 K HA 0.534 4.855 4.320 0.001 0.000 0.266 561 K C -1.063 175.652 176.600 0.191 0.000 0.975 561 K CA -0.151 56.252 56.287 0.194 0.000 0.865 561 K CB 1.358 33.984 32.500 0.210 0.000 1.087 561 K HN 0.663 nan 8.250 nan 0.000 0.446 562 D N 2.672 123.135 120.400 0.105 0.000 2.317 562 D HA 0.065 4.706 4.640 0.001 0.000 0.234 562 D C -0.673 175.698 176.300 0.117 0.000 1.112 562 D CA -0.361 53.689 54.000 0.083 0.000 0.840 562 D CB 1.054 41.850 40.800 -0.006 0.000 1.078 562 D HN 0.741 nan 8.370 nan 0.000 0.486 563 N N 2.044 120.854 118.700 0.183 0.000 2.389 563 N HA -0.005 4.736 4.740 0.001 0.000 0.237 563 N C -0.306 175.274 175.510 0.117 0.000 1.148 563 N CA -0.343 52.812 53.050 0.174 0.000 0.854 563 N CB 0.237 38.895 38.487 0.286 0.000 1.115 563 N HN 0.291 nan 8.380 nan 0.000 0.492 564 S N -1.044 114.703 115.700 0.079 0.000 2.693 564 S HA 0.587 5.058 4.470 0.001 0.000 0.276 564 S C -2.541 172.082 174.600 0.039 0.000 1.192 564 S CA -1.287 56.946 58.200 0.054 0.000 0.994 564 S CB 0.945 64.167 63.200 0.037 0.000 1.012 564 S HN 0.015 nan 8.310 nan 0.000 0.550 565 P HA 0.310 nan 4.420 nan 0.000 0.271 565 P C 1.071 178.380 177.300 0.015 0.000 1.220 565 P CA 0.890 64.003 63.100 0.022 0.000 0.768 565 P CB 0.206 31.917 31.700 0.019 0.000 0.848 566 G N 2.228 111.035 108.800 0.013 0.000 2.238 566 G HA2 -0.389 3.571 3.960 0.001 0.000 0.270 566 G HA3 -0.389 3.571 3.960 0.001 0.000 0.270 566 G C 1.399 176.301 174.900 0.004 0.000 0.977 566 G CA 0.670 45.775 45.100 0.007 0.000 0.639 566 G HN 0.533 nan 8.290 nan 0.000 0.544 567 Q N 0.316 120.119 119.800 0.005 0.000 2.028 567 Q HA -0.310 4.031 4.340 0.001 0.000 0.213 567 Q C 1.953 177.948 176.000 -0.008 0.000 1.017 567 Q CA 3.190 58.991 55.803 -0.005 0.000 0.875 567 Q CB -0.490 28.247 28.738 -0.001 0.000 0.962 567 Q HN 1.064 nan 8.270 nan 0.000 0.413 568 N N -1.120 117.579 118.700 -0.001 0.000 2.849 568 N HA -0.227 4.513 4.740 0.001 0.000 0.200 568 N C -0.314 175.193 175.510 -0.006 0.000 1.129 568 N CA 1.421 54.470 53.050 -0.002 0.000 1.320 568 N CB -1.549 36.935 38.487 -0.005 0.000 0.945 568 N HN 0.471 nan 8.380 nan 0.000 0.554 569 N N 0.747 119.436 118.700 -0.018 0.000 2.399 569 N HA 0.136 4.876 4.740 0.001 0.000 0.259 569 N C -1.815 173.689 175.510 -0.011 0.000 1.160 569 N CA -0.831 52.204 53.050 -0.026 0.000 0.946 569 N CB 0.889 39.342 38.487 -0.057 0.000 1.156 569 N HN 0.283 nan 8.380 nan 0.000 0.489 570 P HA 0.096 nan 4.420 nan 0.000 0.239 570 P C -0.145 177.179 177.300 0.040 0.000 1.188 570 P CA 0.332 63.449 63.100 0.028 0.000 0.794 570 P CB 0.296 32.010 31.700 0.023 0.000 0.937 571 c N 1.405 120.018 118.600 0.022 0.000 2.641 571 c HA 0.379 4.949 4.570 0.001 0.000 0.294 571 c C 0.684 174.829 174.090 0.091 0.000 1.496 571 c CA -0.905 55.460 56.329 0.061 0.000 1.672 571 c CB -1.697 40.804 42.510 -0.016 0.000 2.763 571 c HN 0.049 nan 8.230 nan 0.000 0.545 572 K N 2.553 122.964 120.400 0.018 0.000 2.436 572 K HA 0.400 4.721 4.320 0.001 0.000 0.275 572 K C -0.063 176.548 176.600 0.019 0.000 0.999 572 K CA 0.842 57.064 56.287 -0.108 0.000 0.980 572 K CB 0.283 32.560 32.500 -0.371 0.000 0.919 572 K HN 0.523 nan 8.250 nan 0.000 0.484 573 M N 4.782 124.374 119.600 -0.013 0.000 2.721 573 M HA 0.474 4.954 4.480 0.001 0.000 0.271 573 M C -1.940 174.481 176.300 0.201 0.000 1.259 573 M CA -0.820 54.501 55.300 0.034 0.000 0.835 573 M CB 1.504 33.903 32.600 -0.337 0.000 1.689 573 M HN 0.575 nan 8.290 nan 0.000 0.470 574 F N 3.125 123.106 119.950 0.053 0.000 2.493 574 F HA 0.715 5.242 4.527 0.001 0.000 0.329 574 F C -2.320 173.515 175.800 0.059 0.000 1.126 574 F CA -0.403 57.644 58.000 0.078 0.000 0.937 574 F CB 1.314 40.344 39.000 0.050 0.000 1.146 574 F HN 0.560 nan 8.300 nan 0.000 0.442 575 Y N 4.279 124.163 120.300 -0.693 0.000 2.470 575 Y HA 0.584 5.134 4.550 0.001 0.000 0.341 575 Y C -1.544 174.056 175.900 -0.500 0.000 1.021 575 Y CA -0.679 57.205 58.100 -0.360 0.000 1.025 575 Y CB 1.922 40.350 38.460 -0.053 0.000 1.266 575 Y HN 0.589 nan 8.280 nan 0.000 0.448 576 S N 4.794 119.787 115.700 -1.178 0.000 2.689 576 S HA 0.175 4.645 4.470 0.001 0.000 0.274 576 S C -0.101 174.033 174.600 -0.777 0.000 1.176 576 S CA -0.604 57.130 58.200 -0.776 0.000 1.014 576 S CB 0.277 63.272 63.200 -0.342 0.000 1.071 576 S HN 0.884 nan 8.310 nan 0.000 0.478 577 N N 3.822 122.179 118.700 -0.572 0.000 2.635 577 N HA -0.140 4.601 4.740 0.001 0.000 0.191 577 N C 0.903 176.354 175.510 -0.097 0.000 1.155 577 N CA 0.918 53.845 53.050 -0.206 0.000 0.927 577 N CB -0.081 38.430 38.487 0.040 0.000 0.976 577 N HN 0.869 nan 8.380 nan 0.000 0.448 578 E N 0.002 120.129 120.200 -0.122 0.000 2.158 578 E HA -0.123 4.227 4.350 0.001 0.000 0.191 578 E C -0.692 175.883 176.600 -0.040 0.000 0.982 578 E CA 0.624 56.993 56.400 -0.051 0.000 0.823 578 E CB 0.192 29.866 29.700 -0.043 0.000 0.766 578 E HN 0.308 nan 8.360 nan 0.000 0.468 579 D N -0.569 119.803 120.400 -0.048 0.000 2.491 579 D HA 0.022 4.663 4.640 0.001 0.000 0.232 579 D C -0.269 176.057 176.300 0.043 0.000 1.334 579 D CA -0.136 53.870 54.000 0.009 0.000 0.909 579 D CB 0.325 41.123 40.800 -0.003 0.000 1.513 579 D HN 0.043 nan 8.370 nan 0.000 0.514 580 E N 0.339 120.588 120.200 0.082 0.000 2.219 580 E HA -0.260 4.090 4.350 0.001 0.000 0.198 580 E C 0.950 177.717 176.600 0.278 0.000 0.998 580 E CA 0.835 57.356 56.400 0.200 0.000 0.818 580 E CB 0.041 29.968 29.700 0.379 0.000 0.741 580 E HN 0.557 nan 8.360 nan 0.000 0.477 581 H N 1.561 120.717 119.070 0.144 0.000 2.423 581 H HA 0.024 4.581 4.556 0.001 0.000 0.297 581 H C 0.619 175.986 175.328 0.065 0.000 1.075 581 H CA 0.987 57.102 56.048 0.111 0.000 1.342 581 H CB 0.097 29.904 29.762 0.075 0.000 1.395 581 H HN -0.159 nan 8.280 nan 0.000 0.530 582 K N -0.197 120.204 120.400 0.003 0.000 2.472 582 K HA 0.094 4.414 4.320 0.001 0.000 0.280 582 K C 0.769 177.353 176.600 -0.028 0.000 1.028 582 K CA 0.937 57.167 56.287 -0.095 0.000 1.045 582 K CB -0.155 32.324 32.500 -0.035 0.000 0.902 582 K HN 0.618 nan 8.250 nan 0.000 0.478 583 G N 3.325 112.011 108.800 -0.189 0.000 2.213 583 G HA2 -0.201 3.760 3.960 0.001 0.000 0.226 583 G HA3 -0.201 3.760 3.960 0.001 0.000 0.226 583 G C 0.026 174.819 174.900 -0.178 0.000 0.992 583 G CA -0.143 44.894 45.100 -0.106 0.000 0.632 583 G HN 0.478 nan 8.290 nan 0.000 0.511 584 M N 1.328 120.771 119.600 -0.260 0.000 2.242 584 M HA 0.434 4.914 4.480 0.001 0.000 0.344 584 M C 1.126 177.296 176.300 -0.218 0.000 1.140 584 M CA -0.492 54.649 55.300 -0.266 0.000 1.160 584 M CB 1.152 33.561 32.600 -0.317 0.000 1.491 584 M HN -0.041 nan 8.290 nan 0.000 0.459 585 V N 4.196 124.049 119.914 -0.103 0.000 2.617 585 V HA -0.047 4.073 4.120 0.001 0.000 0.304 585 V C 0.685 176.765 176.094 -0.023 0.000 1.040 585 V CA -0.068 62.217 62.300 -0.026 0.000 1.149 585 V CB -0.048 31.806 31.823 0.052 0.000 0.914 585 V HN 0.611 nan 8.190 nan 0.000 0.487 586 L N 8.499 129.719 121.223 -0.005 0.000 2.456 586 L HA 0.253 4.593 4.340 0.001 0.000 0.272 586 L C -1.755 175.129 176.870 0.024 0.000 1.189 586 L CA -1.413 53.451 54.840 0.041 0.000 0.846 586 L CB 0.535 42.629 42.059 0.059 0.000 1.111 586 L HN 0.475 nan 8.230 nan 0.000 0.475 587 P HA 0.036 nan 4.420 nan 0.000 0.269 587 P C 0.621 177.659 177.300 -0.437 0.000 1.209 587 P CA 0.415 63.414 63.100 -0.169 0.000 0.776 587 P CB 1.024 32.644 31.700 -0.135 0.000 0.876 588 G N 1.399 109.938 108.800 -0.434 0.000 2.176 588 G HA2 -0.200 3.760 3.960 0.001 0.000 0.253 588 G HA3 -0.200 3.760 3.960 0.001 0.000 0.253 588 G C 0.229 175.129 174.900 -0.000 0.000 0.979 588 G CA 0.109 45.019 45.100 -0.316 0.000 0.641 588 G HN 0.643 nan 8.290 nan 0.000 0.530 589 T N 1.143 115.698 114.554 0.002 0.000 2.870 589 T HA 0.344 4.695 4.350 0.001 0.000 0.300 589 T C 0.655 175.411 174.700 0.094 0.000 0.989 589 T CA 0.266 62.409 62.100 0.072 0.000 1.139 589 T CB 1.312 70.214 68.868 0.057 0.000 0.920 589 T HN 0.423 nan 8.240 nan 0.000 0.537 590 K N 2.718 123.210 120.400 0.152 0.000 2.315 590 K HA 0.031 4.351 4.320 0.001 0.000 0.281 590 K C 1.130 177.774 176.600 0.074 0.000 1.086 590 K CA -0.432 55.964 56.287 0.180 0.000 1.042 590 K CB -0.429 32.198 32.500 0.211 0.000 0.949 590 K HN 0.870 nan 8.250 nan 0.000 0.450 591 c N 2.314 120.936 118.600 0.036 0.000 2.696 591 c HA 0.599 5.170 4.570 0.001 0.000 0.264 591 c C 0.643 174.708 174.090 -0.042 0.000 1.288 591 c CA -0.226 56.089 56.329 -0.024 0.000 1.717 591 c CB -1.274 41.219 42.510 -0.027 0.000 1.893 591 c HN 0.707 nan 8.230 nan 0.000 0.577 592 A N 0.019 122.837 122.820 -0.004 0.000 2.569 592 A HA 0.472 4.793 4.320 0.001 0.000 0.292 592 A C -1.599 176.002 177.584 0.029 0.000 1.032 592 A CA -0.344 51.684 52.037 -0.015 0.000 0.669 592 A CB -0.277 18.705 19.000 -0.029 0.000 1.290 592 A HN 0.149 nan 8.150 nan 0.000 0.422 593 D N 0.619 121.025 120.400 0.011 0.000 2.472 593 D HA 0.393 5.033 4.640 0.001 0.000 0.248 593 D C 1.489 177.823 176.300 0.057 0.000 1.174 593 D CA 2.369 56.395 54.000 0.043 0.000 0.883 593 D CB 0.306 41.106 40.800 -0.000 0.000 1.149 593 D HN 1.961 nan 8.370 nan 0.000 0.488 594 G N 3.562 112.441 108.800 0.132 0.000 2.184 594 G HA2 -0.274 3.686 3.960 0.001 0.000 0.264 594 G HA3 -0.274 3.686 3.960 0.001 0.000 0.264 594 G C 0.173 174.997 174.900 -0.127 0.000 0.975 594 G CA 0.667 45.772 45.100 0.009 0.000 0.642 594 G HN 0.593 nan 8.290 nan 0.000 0.536 595 K N -0.635 119.719 120.400 -0.076 0.000 2.375 595 K HA 0.795 5.115 4.320 0.001 0.000 0.249 595 K C -0.931 175.620 176.600 -0.081 0.000 0.942 595 K CA -0.911 55.312 56.287 -0.107 0.000 0.806 595 K CB 3.349 35.815 32.500 -0.057 0.000 1.227 595 K HN 0.119 nan 8.250 nan 0.000 0.430 596 V N 1.010 120.858 119.914 -0.111 0.000 3.102 596 V HA 0.318 4.438 4.120 0.001 0.000 0.312 596 V C -0.949 175.105 176.094 -0.066 0.000 1.135 596 V CA -0.764 61.505 62.300 -0.052 0.000 1.022 596 V CB 2.222 34.017 31.823 -0.048 0.000 1.056 596 V HN 0.958 nan 8.190 nan 0.000 0.436 597 c N 2.487 121.058 118.600 -0.049 0.000 2.435 597 c HA 0.667 5.238 4.570 0.001 0.000 0.375 597 c C 0.500 174.534 174.090 -0.094 0.000 1.281 597 c CA -0.111 56.188 56.329 -0.050 0.000 1.963 597 c CB 0.326 42.819 42.510 -0.027 0.000 2.490 597 c HN 0.819 nan 8.230 nan 0.000 0.557 598 S N 3.424 119.097 115.700 -0.044 0.000 2.775 598 S HA 0.342 4.812 4.470 0.001 0.000 0.277 598 S C -0.078 174.559 174.600 0.062 0.000 1.156 598 S CA -0.435 57.741 58.200 -0.041 0.000 1.081 598 S CB 0.029 63.174 63.200 -0.091 0.000 1.054 598 S HN 1.011 nan 8.310 nan 0.000 0.482 599 N N 3.557 122.290 118.700 0.055 0.000 2.725 599 N HA -0.208 4.532 4.740 0.001 0.000 0.251 599 N C 0.670 176.221 175.510 0.068 0.000 1.031 599 N CA 0.824 53.931 53.050 0.095 0.000 0.720 599 N CB -1.148 37.420 38.487 0.136 0.000 0.930 599 N HN 1.570 nan 8.380 nan 0.000 0.543 600 G N 0.162 108.962 108.800 0.000 0.000 2.176 600 G HA2 -0.275 3.685 3.960 0.001 0.000 0.252 600 G HA3 -0.275 3.685 3.960 0.001 0.000 0.252 600 G C -0.504 174.221 174.900 -0.290 0.000 1.024 600 G CA 0.661 45.693 45.100 -0.113 0.000 0.755 600 G HN 0.766 nan 8.290 nan 0.000 0.507 601 H N -1.249 117.819 119.070 -0.003 0.000 2.689 601 H HA 0.410 4.966 4.556 0.001 0.000 0.346 601 H C -0.198 175.108 175.328 -0.038 0.000 1.037 601 H CA -0.357 55.681 56.048 -0.017 0.000 1.234 601 H CB 1.594 31.339 29.762 -0.027 0.000 1.572 601 H HN 0.261 nan 8.280 nan 0.000 0.524 602 c N 6.055 124.702 118.600 0.079 0.000 2.383 602 c HA 0.424 4.994 4.570 0.001 0.000 0.350 602 c C 0.564 174.654 174.090 -0.000 0.000 1.173 602 c CA -0.387 55.952 56.329 0.017 0.000 1.645 602 c CB -2.072 40.439 42.510 0.001 0.000 2.221 602 c HN 0.534 nan 8.230 nan 0.000 0.528 603 V N 3.948 123.837 119.914 -0.043 0.000 3.046 603 V HA 0.645 4.766 4.120 0.001 0.000 0.316 603 V C -0.362 175.657 176.094 -0.125 0.000 1.104 603 V CA -0.710 61.541 62.300 -0.082 0.000 1.006 603 V CB 1.467 33.224 31.823 -0.109 0.000 1.058 603 V HN 0.598 nan 8.190 nan 0.000 0.440 604 D N 1.382 121.708 120.400 -0.123 0.000 2.455 604 D HA 0.200 4.840 4.640 0.001 0.000 0.241 604 D C 1.335 177.515 176.300 -0.200 0.000 1.138 604 D CA 0.092 54.009 54.000 -0.139 0.000 0.877 604 D CB 1.756 42.494 40.800 -0.103 0.000 1.187 604 D HN 0.433 nan 8.370 nan 0.000 0.451 605 V N 2.629 122.395 119.914 -0.247 0.000 2.295 605 V HA -0.286 3.835 4.120 0.001 0.000 0.246 605 V C 2.412 178.420 176.094 -0.143 0.000 1.049 605 V CA 2.242 64.382 62.300 -0.268 0.000 1.024 605 V CB -0.820 30.739 31.823 -0.440 0.000 0.648 605 V HN 0.730 nan 8.190 nan 0.000 0.447 606 A N 0.626 123.386 122.820 -0.099 0.000 2.032 606 A HA -0.243 4.077 4.320 0.001 0.000 0.221 606 A C 2.275 179.829 177.584 -0.049 0.000 1.165 606 A CA 2.556 54.570 52.037 -0.039 0.000 0.645 606 A CB -0.743 18.237 19.000 -0.034 0.000 0.807 606 A HN 0.697 nan 8.150 nan 0.000 0.453 607 T N -4.984 109.509 114.554 -0.101 0.000 3.085 607 T HA 0.594 4.945 4.350 0.001 0.000 0.264 607 T C 1.386 175.979 174.700 -0.178 0.000 1.019 607 T CA 0.833 62.870 62.100 -0.105 0.000 0.910 607 T CB 0.371 69.182 68.868 -0.095 0.000 1.059 607 T HN 0.424 nan 8.240 nan 0.000 0.542 608 A N 0.513 123.145 122.820 -0.313 0.000 1.903 608 A HA 0.440 4.760 4.320 0.001 0.000 0.213 608 A C 0.361 177.545 177.584 -0.667 0.000 1.185 608 A CA 0.373 52.040 52.037 -0.617 0.000 0.628 608 A CB -0.234 18.144 19.000 -1.036 0.000 0.830 608 A HN 0.637 nan 8.150 nan 0.000 0.446 609 Y N 0.000 120.308 120.300 0.013 0.000 2.660 609 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 609 Y CA 0.000 58.125 58.100 0.041 0.000 1.940 609 Y CB 0.000 38.503 38.460 0.072 0.000 1.050 609 Y HN 0.000 nan 8.280 nan 0.000 0.758