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 1v9p_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTREEARRRI NELRDLIRYH NYRYYVLADP EISDAEYDRL LRELKELEER DATA SEQUENCE FPEFKSPDSP TEQVGARPLE PTFRPVRHPT RMYSLDNAFT YEEVLAFEER DATA SEQUENCE LERALGRKRP FLYTVEHKVD GLSVNLYYEE GVLVFGATRG DGEVGEEVTQ DATA SEQUENCE NLLTIPTIPR RLKGVPDRLE VRGEVYMPIE AFLRLNEELE ERGEKVFKNP DATA SEQUENCE RNAAAGSLRQ KDPRVTAKRG LRATFYALGL GLEESGLKSQ YELLLWLKEK DATA SEQUENCE GFPVEHGYEK ALGAEGVEEV YRRFLAQRHA LPFEADGVVV KLDDLALWRE DATA SEQUENCE LGYTARAPRF ALAYKFPAEE KETRLLDVVF QVGRTGRVTP VGVLEPVFIE DATA SEQUENCE GSEVSRVTLH NESYIEELDI RIGDWVLVHK AGGVIPEVLR VLKERRTGEE DATA SEQUENCE RPIRWPETCP ECGHRLVKEG KVHRCPNPLC PAKRFEAIRH YASRKAMDIE DATA SEQUENCE GLGEKLIERL LEKGLVRDVA DLYHLRKEDL LGLERMGEKS AQNLLRQIEE DATA SEQUENCE SKHRGLERLL YALGLPGVGE VLARNLARRF GTMDRLLEAS LEELLEVEEV DATA SEQUENCE GELTARAILE TLKDPAFRDL VRRLKEAGVS MESK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.373 176.300 0.122 0.000 1.140 1 M CA 0.000 55.376 55.300 0.127 0.000 0.988 1 M CB 0.000 32.656 32.600 0.093 0.000 1.302 2 T N 1.685 116.274 114.554 0.058 0.000 2.867 2 T HA 0.152 4.505 4.350 0.006 0.000 0.297 2 T C 1.210 175.908 174.700 -0.003 0.000 0.989 2 T CA 0.575 62.704 62.100 0.049 0.000 1.159 2 T CB 0.505 69.394 68.868 0.035 0.000 0.928 2 T HN 0.861 nan 8.240 nan 0.000 0.538 3 R N 2.674 123.196 120.500 0.037 0.000 2.178 3 R HA -0.253 4.090 4.340 0.006 0.000 0.257 3 R C 1.932 178.266 176.300 0.055 0.000 1.163 3 R CA 2.567 58.663 56.100 -0.008 0.000 0.981 3 R CB -0.205 30.146 30.300 0.085 0.000 0.878 3 R HN 0.849 nan 8.270 nan 0.000 0.454 4 E N 0.391 120.623 120.200 0.052 0.000 2.015 4 E HA -0.215 4.139 4.350 0.006 0.000 0.191 4 E C 1.808 178.403 176.600 -0.009 0.000 0.991 4 E CA 1.817 58.245 56.400 0.046 0.000 0.802 4 E CB -0.184 29.534 29.700 0.031 0.000 0.759 4 E HN 0.401 nan 8.360 nan 0.000 0.447 5 E N -0.165 120.017 120.200 -0.030 0.000 2.070 5 E HA -0.302 4.052 4.350 0.006 0.000 0.197 5 E C 1.970 178.515 176.600 -0.092 0.000 1.004 5 E CA 1.364 57.734 56.400 -0.050 0.000 0.805 5 E CB -0.323 29.356 29.700 -0.035 0.000 0.744 5 E HN 0.329 nan 8.360 nan 0.000 0.451 6 A N 1.613 124.324 122.820 -0.182 0.000 1.917 6 A HA -0.269 4.055 4.320 0.006 0.000 0.219 6 A C 2.224 179.760 177.584 -0.080 0.000 1.182 6 A CA 1.897 53.769 52.037 -0.276 0.000 0.633 6 A CB -0.734 17.654 19.000 -1.020 0.000 0.819 6 A HN 0.339 nan 8.150 nan 0.000 0.448 7 R N -0.471 119.989 120.500 -0.067 0.000 2.082 7 R HA -0.170 4.173 4.340 0.006 0.000 0.234 7 R C 2.464 178.594 176.300 -0.283 0.000 1.136 7 R CA 1.741 57.529 56.100 -0.519 0.000 0.935 7 R CB -0.337 29.597 30.300 -0.610 0.000 0.842 7 R HN 0.551 nan 8.270 nan 0.000 0.430 8 R N -0.135 120.265 120.500 -0.166 0.000 2.115 8 R HA -0.217 4.127 4.340 0.006 0.000 0.239 8 R C 2.494 178.747 176.300 -0.079 0.000 1.133 8 R CA 1.980 58.015 56.100 -0.108 0.000 0.935 8 R CB -0.546 29.714 30.300 -0.067 0.000 0.853 8 R HN 0.132 nan 8.270 nan 0.000 0.433 9 R N 1.284 121.749 120.500 -0.058 0.000 2.091 9 R HA -0.070 4.273 4.340 0.006 0.000 0.238 9 R C 2.073 178.359 176.300 -0.023 0.000 1.136 9 R CA 1.470 57.554 56.100 -0.026 0.000 0.959 9 R CB -0.662 29.631 30.300 -0.011 0.000 0.856 9 R HN 0.294 nan 8.270 nan 0.000 0.437 10 I N 0.553 121.098 120.570 -0.042 0.000 2.286 10 I HA -0.309 3.864 4.170 0.006 0.000 0.248 10 I C 1.535 177.621 176.117 -0.052 0.000 1.115 10 I CA 1.227 62.510 61.300 -0.029 0.000 1.392 10 I CB -0.368 37.615 38.000 -0.029 0.000 1.065 10 I HN 0.274 nan 8.210 nan 0.000 0.418 11 N N 0.800 119.444 118.700 -0.095 0.000 2.080 11 N HA -0.166 4.577 4.740 0.006 0.000 0.189 11 N C 1.711 177.198 175.510 -0.039 0.000 1.036 11 N CA 1.381 54.380 53.050 -0.085 0.000 0.846 11 N CB -0.299 38.119 38.487 -0.115 0.000 1.015 11 N HN 0.421 nan 8.380 nan 0.000 0.423 12 E N 0.989 121.172 120.200 -0.028 0.000 2.017 12 E HA -0.120 4.234 4.350 0.006 0.000 0.193 12 E C 2.231 178.855 176.600 0.040 0.000 0.997 12 E CA 0.688 57.091 56.400 0.006 0.000 0.804 12 E CB -0.275 29.429 29.700 0.006 0.000 0.757 12 E HN 0.205 nan 8.360 nan 0.000 0.448 13 L N 0.755 121.999 121.223 0.036 0.000 1.978 13 L HA -0.287 4.057 4.340 0.006 0.000 0.218 13 L C 2.702 179.619 176.870 0.078 0.000 1.075 13 L CA 1.570 56.443 54.840 0.056 0.000 0.767 13 L CB -0.403 41.678 42.059 0.037 0.000 0.890 13 L HN 0.105 nan 8.230 nan 0.000 0.434 14 R N -0.525 120.008 120.500 0.056 0.000 2.139 14 R HA -0.229 4.115 4.340 0.006 0.000 0.243 14 R C 1.858 178.215 176.300 0.095 0.000 1.145 14 R CA 1.819 57.959 56.100 0.067 0.000 0.976 14 R CB -0.414 29.909 30.300 0.039 0.000 0.866 14 R HN 0.460 nan 8.270 nan 0.000 0.449 15 D N 0.211 120.661 120.400 0.083 0.000 2.087 15 D HA -0.126 4.518 4.640 0.006 0.000 0.201 15 D C 1.675 178.099 176.300 0.208 0.000 0.980 15 D CA 0.984 55.042 54.000 0.097 0.000 0.849 15 D CB 0.001 40.826 40.800 0.042 0.000 1.001 15 D HN -0.085 nan 8.370 nan 0.000 0.452 16 L N 0.670 122.039 121.223 0.244 0.000 2.051 16 L HA -0.177 4.167 4.340 0.006 0.000 0.214 16 L C 2.527 179.695 176.870 0.496 0.000 1.076 16 L CA 1.371 56.463 54.840 0.421 0.000 0.758 16 L CB -0.751 41.491 42.059 0.306 0.000 0.890 16 L HN 0.297 nan 8.230 nan 0.000 0.433 17 I N -1.417 119.359 120.570 0.343 0.000 2.315 17 I HA -0.260 3.913 4.170 0.006 0.000 0.248 17 I C 2.637 178.974 176.117 0.367 0.000 1.117 17 I CA 0.960 62.501 61.300 0.402 0.000 1.404 17 I CB -0.252 37.900 38.000 0.254 0.000 1.071 17 I HN 0.245 nan 8.210 nan 0.000 0.419 18 R N -0.415 120.249 120.500 0.273 0.000 2.073 18 R HA -0.183 4.160 4.340 0.006 0.000 0.229 18 R C 2.394 178.874 176.300 0.300 0.000 1.120 18 R CA 1.299 57.538 56.100 0.232 0.000 0.967 18 R CB -0.539 29.851 30.300 0.151 0.000 0.862 18 R HN 0.297 nan 8.270 nan 0.000 0.436 19 Y N 1.456 121.845 120.300 0.148 0.000 2.128 19 Y HA -0.259 4.294 4.550 0.005 0.000 0.284 19 Y C 1.866 177.795 175.900 0.049 0.000 1.154 19 Y CA 1.733 59.890 58.100 0.094 0.000 1.149 19 Y CB -0.664 37.794 38.460 -0.002 0.000 0.976 19 Y HN 0.128 nan 8.280 nan 0.000 0.505 20 H N -0.870 118.205 119.070 0.008 0.000 2.470 20 H HA -0.056 4.503 4.556 0.006 0.000 0.289 20 H C 2.259 177.510 175.328 -0.129 0.000 1.033 20 H CA 1.161 57.079 56.048 -0.216 0.000 1.331 20 H CB -0.287 29.324 29.762 -0.251 0.000 1.414 20 H HN 0.351 nan 8.280 nan 0.000 0.545 21 N N 0.168 118.941 118.700 0.121 0.000 2.223 21 N HA -0.211 4.533 4.740 0.006 0.000 0.185 21 N C 1.727 177.449 175.510 0.352 0.000 1.016 21 N CA 1.028 54.212 53.050 0.224 0.000 0.863 21 N CB -0.084 38.534 38.487 0.219 0.000 0.983 21 N HN 0.410 nan 8.380 nan 0.000 0.429 22 Y N 1.560 121.938 120.300 0.130 0.000 2.206 22 Y HA 0.108 4.662 4.550 0.006 0.000 0.292 22 Y C 2.281 178.203 175.900 0.036 0.000 1.123 22 Y CA 1.163 59.328 58.100 0.110 0.000 1.142 22 Y CB -0.515 38.016 38.460 0.118 0.000 1.006 22 Y HN -0.123 nan 8.280 nan 0.000 0.518 23 R N -0.394 119.933 120.500 -0.287 0.000 2.249 23 R HA -0.189 4.155 4.340 0.006 0.000 0.230 23 R C 1.151 177.281 176.300 -0.284 0.000 1.121 23 R CA 1.238 57.055 56.100 -0.472 0.000 0.997 23 R CB -0.850 29.076 30.300 -0.623 0.000 0.867 23 R HN 0.499 nan 8.270 nan 0.000 0.465 24 Y N -0.896 119.247 120.300 -0.263 0.000 2.662 24 Y HA -0.079 4.474 4.550 0.006 0.000 0.205 24 Y C 1.425 177.178 175.900 -0.245 0.000 0.979 24 Y CA 0.446 58.365 58.100 -0.302 0.000 1.320 24 Y CB -0.667 37.545 38.460 -0.412 0.000 1.075 24 Y HN -0.133 nan 8.280 nan 0.000 0.472 25 Y N 0.087 120.527 120.300 0.232 0.000 2.723 25 Y HA -0.177 4.377 4.550 0.007 0.000 0.286 25 Y C 1.574 177.485 175.900 0.017 0.000 1.159 25 Y CA 1.044 59.221 58.100 0.129 0.000 1.442 25 Y CB -1.064 37.515 38.460 0.198 0.000 0.959 25 Y HN 0.024 nan 8.280 nan 0.000 0.581 26 V N -1.881 118.076 119.914 0.071 0.000 3.097 26 V HA -0.046 4.077 4.120 0.006 0.000 0.223 26 V C 1.946 177.949 176.094 -0.153 0.000 1.199 26 V CA 0.134 62.443 62.300 0.014 0.000 1.260 26 V CB -0.626 31.278 31.823 0.135 0.000 1.155 26 V HN 0.141 nan 8.190 nan 0.000 0.509 27 L N 0.551 121.547 121.223 -0.379 0.000 2.109 27 L HA 0.147 4.491 4.340 0.006 0.000 0.207 27 L C 1.757 178.465 176.870 -0.269 0.000 1.086 27 L CA 1.290 55.917 54.840 -0.356 0.000 0.760 27 L CB -0.412 41.337 42.059 -0.516 0.000 0.910 27 L HN 0.594 nan 8.230 nan 0.000 0.437 28 A N -0.729 121.897 122.820 -0.324 0.000 3.028 28 A HA -0.192 4.132 4.320 0.006 0.000 0.248 28 A C 0.232 177.623 177.584 -0.322 0.000 1.316 28 A CA 0.961 52.777 52.037 -0.367 0.000 1.003 28 A CB -1.990 16.847 19.000 -0.271 0.000 1.148 28 A HN 0.462 nan 8.150 nan 0.000 0.828 29 D N 0.589 120.818 120.400 -0.285 0.000 2.795 29 D HA 0.290 4.934 4.640 0.006 0.000 0.335 29 D C -2.535 173.648 176.300 -0.195 0.000 1.262 29 D CA -0.763 53.111 54.000 -0.210 0.000 0.885 29 D CB 0.850 41.553 40.800 -0.162 0.000 1.047 29 D HN 0.502 nan 8.370 nan 0.000 0.500 30 P HA 0.072 nan 4.420 nan 0.000 0.270 30 P C 0.399 177.673 177.300 -0.043 0.000 1.223 30 P CA 0.100 63.149 63.100 -0.085 0.000 0.785 30 P CB 2.076 33.801 31.700 0.042 0.000 0.923 31 E N 0.828 121.039 120.200 0.019 0.000 2.192 31 E HA 0.076 4.430 4.350 0.006 0.000 0.196 31 E C 1.110 177.730 176.600 0.033 0.000 0.922 31 E CA 0.014 56.433 56.400 0.032 0.000 0.924 31 E CB -0.101 29.642 29.700 0.072 0.000 0.911 31 E HN 0.519 nan 8.360 nan 0.000 0.478 32 I N 0.222 120.810 120.570 0.030 0.000 3.378 32 I HA 0.169 4.342 4.170 0.006 0.000 0.284 32 I C 0.339 176.454 176.117 -0.002 0.000 1.157 32 I CA -0.778 60.505 61.300 -0.029 0.000 1.193 32 I CB 0.505 38.411 38.000 -0.156 0.000 1.461 32 I HN -0.193 nan 8.210 nan 0.000 0.674 33 S N 0.585 116.289 115.700 0.005 0.000 2.614 33 S HA 0.020 4.493 4.470 0.006 0.000 0.265 33 S C 0.514 175.141 174.600 0.045 0.000 1.303 33 S CA -0.261 57.955 58.200 0.026 0.000 1.000 33 S CB 1.139 64.353 63.200 0.024 0.000 0.935 33 S HN 0.812 nan 8.310 nan 0.000 0.551 34 D N 0.361 120.785 120.400 0.040 0.000 2.347 34 D HA 0.128 4.772 4.640 0.006 0.000 0.213 34 D C 1.349 177.702 176.300 0.089 0.000 0.985 34 D CA 0.738 54.751 54.000 0.022 0.000 0.879 34 D CB 0.002 40.792 40.800 -0.017 0.000 0.919 34 D HN 0.497 nan 8.370 nan 0.000 0.526 35 A N -0.164 122.693 122.820 0.062 0.000 1.970 35 A HA 0.073 4.397 4.320 0.006 0.000 0.204 35 A C 1.968 179.569 177.584 0.030 0.000 1.325 35 A CA 0.188 52.248 52.037 0.037 0.000 0.767 35 A CB -0.269 18.742 19.000 0.018 0.000 0.949 35 A HN 0.113 nan 8.150 nan 0.000 0.481 36 E N -0.776 119.446 120.200 0.036 0.000 2.401 36 E HA -0.189 4.165 4.350 0.006 0.000 0.199 36 E C 1.392 178.015 176.600 0.038 0.000 1.023 36 E CA 0.984 57.396 56.400 0.020 0.000 0.859 36 E CB -0.170 29.536 29.700 0.011 0.000 0.780 36 E HN 0.700 nan 8.360 nan 0.000 0.523 37 Y N 1.320 121.576 120.300 -0.073 0.000 2.286 37 Y HA -0.076 4.477 4.550 0.005 0.000 0.293 37 Y C 1.159 177.028 175.900 -0.051 0.000 1.124 37 Y CA 1.787 59.836 58.100 -0.084 0.000 1.178 37 Y CB -0.169 38.239 38.460 -0.086 0.000 1.010 37 Y HN -0.047 nan 8.280 nan 0.000 0.536 38 D N -0.344 119.903 120.400 -0.256 0.000 2.348 38 D HA -0.041 4.603 4.640 0.006 0.000 0.216 38 D C 1.713 177.901 176.300 -0.185 0.000 0.970 38 D CA 0.396 54.199 54.000 -0.329 0.000 0.889 38 D CB -0.005 40.683 40.800 -0.188 0.000 0.912 38 D HN 0.131 nan 8.370 nan 0.000 0.524 39 R N -0.004 120.430 120.500 -0.110 0.000 2.323 39 R HA 0.061 4.405 4.340 0.006 0.000 0.198 39 R C 0.687 176.950 176.300 -0.062 0.000 0.988 39 R CA 0.387 56.448 56.100 -0.065 0.000 1.041 39 R CB 0.171 30.451 30.300 -0.033 0.000 0.926 39 R HN 0.259 nan 8.270 nan 0.000 0.476 40 L N -1.278 119.887 121.223 -0.097 0.000 2.547 40 L HA 0.134 4.477 4.340 0.006 0.000 0.218 40 L C 1.986 178.801 176.870 -0.091 0.000 1.048 40 L CA 0.547 55.348 54.840 -0.064 0.000 0.859 40 L CB -0.466 41.575 42.059 -0.029 0.000 1.128 40 L HN 0.004 nan 8.230 nan 0.000 0.483 41 L N -0.387 120.719 121.223 -0.194 0.000 2.265 41 L HA -0.179 4.165 4.340 0.006 0.000 0.215 41 L C 2.663 179.465 176.870 -0.112 0.000 1.117 41 L CA 1.070 55.794 54.840 -0.192 0.000 0.782 41 L CB 0.059 41.906 42.059 -0.354 0.000 0.914 41 L HN 0.278 nan 8.230 nan 0.000 0.441 42 R N -0.020 120.422 120.500 -0.097 0.000 2.057 42 R HA -0.178 4.166 4.340 0.006 0.000 0.224 42 R C 2.232 178.517 176.300 -0.025 0.000 1.136 42 R CA 1.311 57.377 56.100 -0.057 0.000 0.968 42 R CB -0.171 30.097 30.300 -0.054 0.000 0.863 42 R HN 0.314 nan 8.270 nan 0.000 0.433 43 E N 0.558 120.747 120.200 -0.018 0.000 2.219 43 E HA -0.248 4.106 4.350 0.006 0.000 0.198 43 E C 1.857 178.473 176.600 0.027 0.000 0.998 43 E CA 1.126 57.532 56.400 0.009 0.000 0.818 43 E CB -0.138 29.568 29.700 0.010 0.000 0.741 43 E HN 0.417 nan 8.360 nan 0.000 0.477 44 L N 0.493 121.724 121.223 0.013 0.000 2.046 44 L HA -0.177 4.166 4.340 0.006 0.000 0.208 44 L C 2.495 179.392 176.870 0.045 0.000 1.077 44 L CA 1.654 56.513 54.840 0.031 0.000 0.747 44 L CB -0.178 41.888 42.059 0.012 0.000 0.896 44 L HN 0.089 nan 8.230 nan 0.000 0.432 45 K N -0.079 120.334 120.400 0.022 0.000 2.288 45 K HA -0.183 4.141 4.320 0.006 0.000 0.201 45 K C 2.016 178.637 176.600 0.036 0.000 1.048 45 K CA 0.957 57.258 56.287 0.023 0.000 0.956 45 K CB -0.023 32.476 32.500 -0.002 0.000 0.746 45 K HN 0.239 nan 8.250 nan 0.000 0.461 46 E N 0.068 120.293 120.200 0.041 0.000 2.046 46 E HA -0.124 4.230 4.350 0.006 0.000 0.190 46 E C 1.634 178.292 176.600 0.097 0.000 0.982 46 E CA 1.048 57.477 56.400 0.048 0.000 0.800 46 E CB 0.059 29.784 29.700 0.042 0.000 0.756 46 E HN 0.241 nan 8.360 nan 0.000 0.449 47 L N 1.176 122.492 121.223 0.156 0.000 2.156 47 L HA -0.072 4.272 4.340 0.006 0.000 0.208 47 L C 2.229 179.302 176.870 0.339 0.000 1.095 47 L CA 1.135 56.164 54.840 0.315 0.000 0.770 47 L CB -0.282 41.932 42.059 0.257 0.000 0.914 47 L HN 0.050 nan 8.230 nan 0.000 0.439 48 E N -0.582 119.737 120.200 0.198 0.000 2.265 48 E HA -0.227 4.127 4.350 0.006 0.000 0.196 48 E C 1.670 178.330 176.600 0.101 0.000 0.996 48 E CA 0.794 57.294 56.400 0.167 0.000 0.832 48 E CB 0.166 29.931 29.700 0.109 0.000 0.756 48 E HN 0.390 nan 8.360 nan 0.000 0.491 49 E N -0.001 120.233 120.200 0.057 0.000 2.307 49 E HA -0.007 4.347 4.350 0.006 0.000 0.195 49 E C 1.408 177.953 176.600 -0.092 0.000 0.975 49 E CA 0.290 56.683 56.400 -0.012 0.000 0.878 49 E CB 0.313 30.003 29.700 -0.018 0.000 0.845 49 E HN 0.161 nan 8.360 nan 0.000 0.488 50 R N -0.672 119.740 120.500 -0.146 0.000 2.317 50 R HA 0.170 4.514 4.340 0.006 0.000 0.208 50 R C -0.367 175.383 176.300 -0.917 0.000 0.914 50 R CA 0.295 56.119 56.100 -0.460 0.000 1.060 50 R CB 0.097 30.101 30.300 -0.495 0.000 1.015 50 R HN -0.004 nan 8.270 nan 0.000 0.498 51 F N -0.075 119.807 119.950 -0.114 0.000 2.706 51 F HA 0.357 4.887 4.527 0.005 0.000 0.365 51 F C -2.079 173.582 175.800 -0.231 0.000 1.469 51 F CA -2.363 55.486 58.000 -0.253 0.000 1.110 51 F CB 1.886 40.671 39.000 -0.359 0.000 1.893 51 F HN -0.183 nan 8.300 nan 0.000 0.573 52 P HA -0.270 nan 4.420 nan 0.000 0.218 52 P C 1.604 178.898 177.300 -0.010 0.000 1.150 52 P CA 2.038 65.123 63.100 -0.024 0.000 0.841 52 P CB 0.129 31.799 31.700 -0.049 0.000 0.784 53 E N -0.460 119.691 120.200 -0.082 0.000 2.114 53 E HA -0.235 4.118 4.350 0.006 0.000 0.199 53 E C 1.626 178.311 176.600 0.141 0.000 1.008 53 E CA 1.273 57.644 56.400 -0.047 0.000 0.810 53 E CB -1.527 28.068 29.700 -0.175 0.000 0.739 53 E HN 0.314 nan 8.360 nan 0.000 0.456 54 F N 1.782 121.771 119.950 0.065 0.000 2.699 54 F HA 0.076 4.606 4.527 0.005 0.000 0.298 54 F C 0.987 176.801 175.800 0.022 0.000 1.154 54 F CA -0.331 57.692 58.000 0.037 0.000 1.457 54 F CB 0.037 39.060 39.000 0.038 0.000 1.106 54 F HN -0.223 nan 8.300 nan 0.000 0.585 55 K N 1.572 122.087 120.400 0.191 0.000 2.489 55 K HA 0.115 4.438 4.320 0.006 0.000 0.278 55 K C -0.203 176.441 176.600 0.072 0.000 1.000 55 K CA 0.307 56.657 56.287 0.106 0.000 1.012 55 K CB 0.558 33.095 32.500 0.061 0.000 0.903 55 K HN -0.061 nan 8.250 nan 0.000 0.485 56 S N 3.283 119.007 115.700 0.040 0.000 2.614 56 S HA 0.189 4.663 4.470 0.006 0.000 0.275 56 S C -2.156 172.442 174.600 -0.003 0.000 1.161 56 S CA -1.121 57.080 58.200 0.003 0.000 0.969 56 S CB 1.935 65.123 63.200 -0.020 0.000 1.059 56 S HN 0.493 nan 8.310 nan 0.000 0.482 57 P HA -0.057 nan 4.420 nan 0.000 0.240 57 P C -0.131 177.165 177.300 -0.007 0.000 1.186 57 P CA 0.895 63.988 63.100 -0.011 0.000 0.755 57 P CB 0.176 31.866 31.700 -0.016 0.000 0.870 58 D N -0.860 119.537 120.400 -0.004 0.000 2.323 58 D HA -0.020 4.624 4.640 0.006 0.000 0.218 58 D C 0.895 177.208 176.300 0.022 0.000 0.973 58 D CA 0.452 54.460 54.000 0.014 0.000 0.890 58 D CB -0.591 40.215 40.800 0.011 0.000 1.011 58 D HN 0.056 nan 8.370 nan 0.000 0.499 59 S N 1.138 116.849 115.700 0.018 0.000 2.571 59 S HA -0.072 4.401 4.470 0.006 0.000 0.298 59 S C -1.560 173.053 174.600 0.022 0.000 1.280 59 S CA -0.876 57.339 58.200 0.025 0.000 1.052 59 S CB 1.035 64.251 63.200 0.027 0.000 0.799 59 S HN -0.148 nan 8.310 nan 0.000 0.501 60 P HA -0.141 nan 4.420 nan 0.000 0.216 60 P C 1.773 179.074 177.300 0.002 0.000 1.150 60 P CA 1.908 65.024 63.100 0.027 0.000 0.843 60 P CB -0.301 31.425 31.700 0.043 0.000 0.787 61 T N -1.608 112.945 114.554 -0.002 0.000 2.607 61 T HA -0.236 4.118 4.350 0.006 0.000 0.267 61 T C 1.561 176.253 174.700 -0.014 0.000 1.049 61 T CA 1.259 63.351 62.100 -0.013 0.000 1.162 61 T CB -1.319 67.546 68.868 -0.005 0.000 0.863 61 T HN 0.124 nan 8.240 nan 0.000 0.424 62 E N 2.101 122.296 120.200 -0.008 0.000 2.449 62 E HA -0.210 4.144 4.350 0.006 0.000 0.206 62 E C 1.551 178.137 176.600 -0.023 0.000 1.064 62 E CA 1.536 57.928 56.400 -0.013 0.000 0.875 62 E CB -0.394 29.299 29.700 -0.012 0.000 0.796 62 E HN 1.013 nan 8.360 nan 0.000 0.550 63 Q N -1.829 117.955 119.800 -0.026 0.000 1.858 63 Q HA 0.095 4.439 4.340 0.006 0.000 0.190 63 Q C 0.599 176.577 176.000 -0.037 0.000 0.817 63 Q CA -0.027 55.755 55.803 -0.034 0.000 0.910 63 Q CB -0.930 27.783 28.738 -0.042 0.000 1.248 63 Q HN 0.028 nan 8.270 nan 0.000 0.397 64 V N -0.454 119.439 119.914 -0.034 0.000 4.222 64 V HA 0.541 4.664 4.120 0.006 0.000 0.300 64 V C 0.983 177.052 176.094 -0.042 0.000 1.026 64 V CA 0.926 63.202 62.300 -0.040 0.000 1.123 64 V CB -0.599 31.195 31.823 -0.048 0.000 1.165 64 V HN 0.772 nan 8.190 nan 0.000 0.468 65 G N -1.587 107.189 108.800 -0.039 0.000 2.343 65 G HA2 0.468 4.431 3.960 0.006 0.000 0.562 65 G HA3 0.468 4.431 3.960 0.006 0.000 0.562 65 G C -0.061 174.836 174.900 -0.005 0.000 1.269 65 G CA -0.344 44.742 45.100 -0.023 0.000 1.011 65 G HN 2.091 nan 8.290 nan 0.000 0.498 66 A N 0.079 122.917 122.820 0.029 0.000 2.797 66 A HA 0.629 4.952 4.320 0.006 0.000 0.287 66 A C 1.055 178.674 177.584 0.059 0.000 1.369 66 A CA 0.411 52.518 52.037 0.117 0.000 0.968 66 A CB -0.313 18.776 19.000 0.148 0.000 1.069 66 A HN 0.581 nan 8.150 nan 0.000 0.571 67 R N 0.559 120.969 120.500 -0.150 0.000 2.856 67 R HA 0.448 4.792 4.340 0.006 0.000 0.258 67 R C -2.761 173.213 176.300 -0.543 0.000 1.066 67 R CA -2.300 53.674 56.100 -0.211 0.000 1.045 67 R CB 0.716 30.960 30.300 -0.094 0.000 1.178 67 R HN 0.084 nan 8.270 nan 0.000 0.499 68 P HA -0.017 nan 4.420 nan 0.000 0.270 68 P C -0.426 176.761 177.300 -0.188 0.000 1.242 68 P CA -0.292 62.610 63.100 -0.331 0.000 0.768 68 P CB 0.445 32.112 31.700 -0.056 0.000 0.820 69 L N 4.394 125.512 121.223 -0.176 0.000 2.742 69 L HA -0.012 4.332 4.340 0.006 0.000 0.275 69 L C 0.626 177.495 176.870 -0.002 0.000 1.141 69 L CA 0.725 55.533 54.840 -0.053 0.000 0.987 69 L CB -1.091 40.980 42.059 0.020 0.000 1.319 69 L HN 0.365 nan 8.230 nan 0.000 0.478 70 E N 6.829 127.017 120.200 -0.020 0.000 2.342 70 E HA 0.380 4.733 4.350 0.006 0.000 0.257 70 E C -2.239 174.363 176.600 0.004 0.000 1.150 70 E CA -1.642 54.753 56.400 -0.009 0.000 0.926 70 E CB 0.401 30.063 29.700 -0.062 0.000 1.074 70 E HN 0.479 nan 8.360 nan 0.000 0.449 71 P HA 0.055 nan 4.420 nan 0.000 0.304 71 P C -0.886 176.401 177.300 -0.023 0.000 1.366 71 P CA -0.585 62.577 63.100 0.102 0.000 0.859 71 P CB 1.084 32.947 31.700 0.271 0.000 0.961 72 T N 0.947 115.502 114.554 0.001 0.000 2.738 72 T HA 0.257 4.611 4.350 0.006 0.000 0.293 72 T C 0.543 175.331 174.700 0.147 0.000 0.913 72 T CA -0.460 61.603 62.100 -0.062 0.000 1.103 72 T CB -0.923 67.933 68.868 -0.020 0.000 0.880 72 T HN 0.256 nan 8.240 nan 0.000 0.526 73 F N 3.049 123.020 119.950 0.035 0.000 2.707 73 F HA 0.080 4.608 4.527 0.001 0.000 0.301 73 F C 1.716 177.535 175.800 0.031 0.000 1.314 73 F CA -1.175 56.848 58.000 0.039 0.000 1.443 73 F CB -0.338 38.684 39.000 0.037 0.000 1.124 73 F HN 0.545 nan 8.300 nan 0.000 0.521 74 R N 0.826 121.434 120.500 0.180 0.000 2.491 74 R HA 0.299 4.642 4.340 0.006 0.000 0.283 74 R C -2.982 173.367 176.300 0.080 0.000 1.072 74 R CA -1.743 54.414 56.100 0.094 0.000 1.048 74 R CB -0.317 30.008 30.300 0.042 0.000 0.983 74 R HN -0.063 nan 8.270 nan 0.000 0.450 75 P HA 0.026 nan 4.420 nan 0.000 0.268 75 P C -1.116 176.172 177.300 -0.021 0.000 1.205 75 P CA -0.226 62.884 63.100 0.017 0.000 0.771 75 P CB 0.987 32.691 31.700 0.007 0.000 0.858 76 V N 3.254 123.137 119.914 -0.052 0.000 2.655 76 V HA 0.343 4.466 4.120 0.006 0.000 0.301 76 V C 0.059 176.013 176.094 -0.234 0.000 1.082 76 V CA -0.855 61.384 62.300 -0.102 0.000 0.899 76 V CB 1.715 33.533 31.823 -0.007 0.000 1.014 76 V HN 0.453 nan 8.190 nan 0.000 0.429 77 R N 4.042 124.427 120.500 -0.192 0.000 2.442 77 R HA 0.271 4.615 4.340 0.006 0.000 0.291 77 R C -0.261 175.927 176.300 -0.187 0.000 1.069 77 R CA -0.331 55.646 56.100 -0.205 0.000 1.022 77 R CB 0.437 30.677 30.300 -0.101 0.000 0.976 77 R HN 0.819 nan 8.270 nan 0.000 0.443 78 H N 4.825 123.922 119.070 0.045 0.000 2.562 78 H HA 0.078 4.638 4.556 0.007 0.000 0.352 78 H C -1.745 173.576 175.328 -0.011 0.000 1.125 78 H CA -2.094 53.986 56.048 0.054 0.000 1.379 78 H CB 1.109 30.886 29.762 0.024 0.000 1.464 78 H HN 0.558 nan 8.280 nan 0.000 0.563 79 P HA -0.168 nan 4.420 nan 0.000 0.215 79 P C 0.584 177.899 177.300 0.026 0.000 1.163 79 P CA 2.118 65.206 63.100 -0.021 0.000 0.894 79 P CB 0.168 31.812 31.700 -0.093 0.000 0.791 80 T N -3.672 110.914 114.554 0.053 0.000 2.949 80 T HA 0.477 4.831 4.350 0.006 0.000 0.287 80 T C -0.127 174.584 174.700 0.018 0.000 1.034 80 T CA -1.121 60.999 62.100 0.034 0.000 1.018 80 T CB 1.794 70.693 68.868 0.052 0.000 1.135 80 T HN -0.083 nan 8.240 nan 0.000 0.532 81 R N 0.517 120.984 120.500 -0.056 0.000 2.490 81 R HA 0.485 4.828 4.340 0.006 0.000 0.278 81 R C -0.535 175.651 176.300 -0.190 0.000 1.069 81 R CA -0.504 55.490 56.100 -0.175 0.000 1.080 81 R CB 0.451 30.519 30.300 -0.386 0.000 1.030 81 R HN 0.695 nan 8.270 nan 0.000 0.491 82 M N 4.020 123.488 119.600 -0.220 0.000 2.149 82 M HA 0.287 4.770 4.480 0.006 0.000 0.342 82 M C -1.245 174.982 176.300 -0.121 0.000 1.068 82 M CA -0.521 54.711 55.300 -0.113 0.000 0.991 82 M CB 1.539 34.029 32.600 -0.184 0.000 1.596 82 M HN 0.535 nan 8.290 nan 0.000 0.439 83 Y N 0.236 120.564 120.300 0.047 0.000 2.565 83 Y HA 0.573 5.128 4.550 0.008 0.000 0.325 83 Y C 0.797 176.722 175.900 0.042 0.000 1.221 83 Y CA -0.485 57.649 58.100 0.056 0.000 1.316 83 Y CB 1.398 39.939 38.460 0.135 0.000 1.404 83 Y HN 0.632 nan 8.280 nan 0.000 0.527 84 S N 0.287 116.131 115.700 0.240 0.000 2.568 84 S HA 0.728 5.202 4.470 0.006 0.000 0.302 84 S C -1.099 173.527 174.600 0.042 0.000 1.082 84 S CA -0.970 57.290 58.200 0.100 0.000 1.009 84 S CB 0.980 64.221 63.200 0.069 0.000 1.069 84 S HN 0.520 nan 8.310 nan 0.000 0.500 85 L N 1.251 122.450 121.223 -0.041 0.000 2.416 85 L HA 0.513 4.856 4.340 0.006 0.000 0.262 85 L C 0.187 176.992 176.870 -0.109 0.000 1.093 85 L CA -0.912 53.851 54.840 -0.128 0.000 0.801 85 L CB 0.596 42.544 42.059 -0.186 0.000 1.191 85 L HN 0.669 nan 8.230 nan 0.000 0.459 86 D N 0.742 121.048 120.400 -0.157 0.000 2.253 86 D HA 0.241 4.884 4.640 0.006 0.000 0.249 86 D C -0.673 175.551 176.300 -0.126 0.000 1.049 86 D CA -0.178 53.757 54.000 -0.110 0.000 0.929 86 D CB 1.204 41.937 40.800 -0.112 0.000 1.176 86 D HN 0.469 nan 8.370 nan 0.000 0.437 87 N N 0.021 118.705 118.700 -0.027 0.000 2.419 87 N HA 0.510 5.253 4.740 0.006 0.000 0.277 87 N C -0.837 174.746 175.510 0.121 0.000 1.006 87 N CA -0.582 52.478 53.050 0.016 0.000 0.923 87 N CB 1.752 40.343 38.487 0.173 0.000 1.140 87 N HN 0.302 nan 8.380 nan 0.000 0.488 88 A N 1.628 124.424 122.820 -0.040 0.000 2.340 88 A HA 0.647 4.971 4.320 0.006 0.000 0.331 88 A C -0.742 176.900 177.584 0.097 0.000 1.140 88 A CA -0.425 51.622 52.037 0.018 0.000 0.801 88 A CB 0.345 19.162 19.000 -0.306 0.000 1.234 88 A HN 0.711 nan 8.150 nan 0.000 0.469 89 F N 0.086 120.041 119.950 0.008 0.000 2.817 89 F HA 0.200 4.730 4.527 0.005 0.000 0.333 89 F C 1.220 177.130 175.800 0.183 0.000 1.085 89 F CA 0.689 58.785 58.000 0.159 0.000 1.170 89 F CB 0.606 39.671 39.000 0.108 0.000 1.066 89 F HN 0.645 nan 8.300 nan 0.000 0.564 90 T N -4.317 110.342 114.554 0.174 0.000 2.901 90 T HA 0.250 4.603 4.350 0.006 0.000 0.293 90 T C 0.309 174.924 174.700 -0.141 0.000 1.084 90 T CA -0.463 61.695 62.100 0.097 0.000 1.008 90 T CB 1.402 70.317 68.868 0.078 0.000 1.170 90 T HN 0.047 nan 8.240 nan 0.000 0.509 91 Y N 1.319 121.538 120.300 -0.134 0.000 2.352 91 Y HA 0.002 4.556 4.550 0.006 0.000 0.292 91 Y C 2.149 177.955 175.900 -0.157 0.000 1.136 91 Y CA 1.671 59.650 58.100 -0.202 0.000 1.227 91 Y CB -0.160 38.260 38.460 -0.067 0.000 0.991 91 Y HN 0.709 nan 8.280 nan 0.000 0.545 92 E N 1.053 121.149 120.200 -0.173 0.000 2.038 92 E HA -0.184 4.170 4.350 0.006 0.000 0.195 92 E C 0.354 176.794 176.600 -0.267 0.000 1.000 92 E CA 1.227 57.511 56.400 -0.193 0.000 0.803 92 E CB -0.837 28.827 29.700 -0.061 0.000 0.750 92 E HN 0.623 nan 8.360 nan 0.000 0.448 93 E N 0.569 120.635 120.200 -0.224 0.000 2.398 93 E HA 0.157 4.510 4.350 0.006 0.000 0.263 93 E C 0.659 177.032 176.600 -0.379 0.000 1.046 93 E CA 0.338 56.606 56.400 -0.221 0.000 0.908 93 E CB 1.329 30.934 29.700 -0.157 0.000 0.963 93 E HN -0.113 nan 8.360 nan 0.000 0.431 94 V N 0.017 119.769 119.914 -0.270 0.000 0.792 94 V HA -0.315 3.808 4.120 0.006 0.000 0.068 94 V C 0.817 176.749 176.094 -0.270 0.000 2.635 94 V CA 1.777 63.891 62.300 -0.311 0.000 3.584 94 V CB -1.646 29.804 31.823 -0.622 0.000 1.239 94 V HN 0.701 nan 8.190 nan 0.000 1.127 95 L N 0.697 121.699 121.223 -0.368 0.000 2.347 95 L HA 0.715 5.058 4.340 0.006 0.000 0.196 95 L C 2.386 179.166 176.870 -0.150 0.000 1.072 95 L CA 2.424 57.062 54.840 -0.337 0.000 0.817 95 L CB -0.563 41.186 42.059 -0.517 0.000 1.029 95 L HN 0.184 nan 8.230 nan 0.000 0.478 96 A N -0.053 122.678 122.820 -0.148 0.000 1.917 96 A HA -0.280 4.043 4.320 0.006 0.000 0.219 96 A C 2.271 179.825 177.584 -0.050 0.000 1.182 96 A CA 2.228 54.215 52.037 -0.083 0.000 0.633 96 A CB -1.385 17.571 19.000 -0.073 0.000 0.819 96 A HN 0.634 nan 8.150 nan 0.000 0.448 97 F N 0.762 120.610 119.950 -0.170 0.000 2.046 97 F HA -0.208 4.322 4.527 0.006 0.000 0.297 97 F C 2.215 177.963 175.800 -0.087 0.000 1.123 97 F CA 2.376 60.283 58.000 -0.156 0.000 1.199 97 F CB -0.516 38.350 39.000 -0.223 0.000 0.972 97 F HN 0.434 nan 8.300 nan 0.000 0.474 98 E N -0.353 119.758 120.200 -0.148 0.000 2.204 98 E HA -0.253 4.100 4.350 0.006 0.000 0.195 98 E C 2.030 178.595 176.600 -0.058 0.000 0.990 98 E CA 1.261 57.618 56.400 -0.070 0.000 0.821 98 E CB -0.164 29.676 29.700 0.233 0.000 0.750 98 E HN 0.616 nan 8.360 nan 0.000 0.477 99 E N 0.497 120.652 120.200 -0.076 0.000 2.047 99 E HA -0.148 4.205 4.350 0.006 0.000 0.191 99 E C 2.101 178.644 176.600 -0.095 0.000 0.987 99 E CA 0.872 57.241 56.400 -0.052 0.000 0.799 99 E CB -0.044 29.624 29.700 -0.053 0.000 0.752 99 E HN 0.087 nan 8.360 nan 0.000 0.449 100 R N 0.414 120.814 120.500 -0.167 0.000 2.139 100 R HA -0.172 4.172 4.340 0.006 0.000 0.243 100 R C 1.996 178.166 176.300 -0.217 0.000 1.145 100 R CA 1.223 57.211 56.100 -0.186 0.000 0.976 100 R CB -0.279 29.885 30.300 -0.226 0.000 0.866 100 R HN 0.273 nan 8.270 nan 0.000 0.449 101 L N 0.457 121.501 121.223 -0.297 0.000 2.291 101 L HA -0.066 4.277 4.340 0.006 0.000 0.214 101 L C 2.121 178.922 176.870 -0.115 0.000 1.120 101 L CA 0.866 55.531 54.840 -0.292 0.000 0.799 101 L CB -0.360 41.432 42.059 -0.445 0.000 0.925 101 L HN 0.223 nan 8.230 nan 0.000 0.446 102 E N 0.573 120.776 120.200 0.005 0.000 2.209 102 E HA -0.147 4.207 4.350 0.006 0.000 0.196 102 E C 0.387 177.003 176.600 0.028 0.000 0.993 102 E CA 0.445 56.900 56.400 0.092 0.000 0.819 102 E CB -0.112 29.623 29.700 0.060 0.000 0.745 102 E HN 0.376 nan 8.360 nan 0.000 0.477 103 R N 0.641 121.125 120.500 -0.026 0.000 2.808 103 R HA 0.121 4.464 4.340 0.006 0.000 0.248 103 R C 0.449 176.733 176.300 -0.026 0.000 1.539 103 R CA 0.624 56.706 56.100 -0.030 0.000 1.071 103 R CB -0.471 29.800 30.300 -0.049 0.000 1.172 103 R HN 0.240 nan 8.270 nan 0.000 0.579 104 A N 0.882 123.701 122.820 -0.001 0.000 3.564 104 A HA -0.063 4.260 4.320 0.006 0.000 0.195 104 A C 0.455 178.059 177.584 0.032 0.000 1.299 104 A CA 0.038 52.076 52.037 0.003 0.000 1.184 104 A CB -0.775 18.213 19.000 -0.020 0.000 0.831 104 A HN 0.440 nan 8.150 nan 0.000 0.398 105 L N -1.613 119.657 121.223 0.079 0.000 7.039 105 L HA -0.103 4.240 4.340 0.006 0.000 0.061 105 L C 0.934 177.875 176.870 0.118 0.000 1.415 105 L CA 2.100 57.029 54.840 0.148 0.000 1.678 105 L CB -0.307 41.801 42.059 0.081 0.000 2.698 105 L HN 2.179 nan 8.230 nan 0.000 1.079 106 G N -0.220 108.620 108.800 0.066 0.000 4.154 106 G HA2 0.183 4.147 3.960 0.006 0.000 0.228 106 G HA3 0.183 4.147 3.960 0.006 0.000 0.228 106 G C -0.204 174.690 174.900 -0.010 0.000 2.157 106 G CA 0.091 45.212 45.100 0.034 0.000 1.088 106 G HN 0.610 nan 8.290 nan 0.000 0.506 107 R N -0.455 120.027 120.500 -0.030 0.000 3.223 107 R HA -0.134 4.209 4.340 0.006 0.000 0.262 107 R C 0.400 176.634 176.300 -0.110 0.000 1.052 107 R CA 1.809 57.875 56.100 -0.056 0.000 0.700 107 R CB -1.741 28.533 30.300 -0.043 0.000 1.217 107 R HN 1.010 nan 8.270 nan 0.000 0.408 108 K N -2.249 118.054 120.400 -0.161 0.000 2.719 108 K HA 0.485 4.808 4.320 0.006 0.000 0.281 108 K C 0.218 176.592 176.600 -0.376 0.000 0.991 108 K CA -0.536 55.570 56.287 -0.301 0.000 0.760 108 K CB 1.104 33.330 32.500 -0.458 0.000 1.438 108 K HN 0.048 nan 8.250 nan 0.000 0.350 109 R N -1.153 119.001 120.500 -0.577 0.000 2.843 109 R HA 0.130 4.474 4.340 0.006 0.000 0.045 109 R C -2.357 173.632 176.300 -0.518 0.000 0.808 109 R CA 0.107 55.938 56.100 -0.448 0.000 2.872 109 R CB -0.135 30.071 30.300 -0.157 0.000 1.270 109 R HN 0.412 nan 8.270 nan 0.000 0.510 110 P HA 0.099 nan 4.420 nan 0.000 0.263 110 P C -1.194 175.875 177.300 -0.384 0.000 1.247 110 P CA 0.808 63.774 63.100 -0.224 0.000 0.876 110 P CB -0.249 31.363 31.700 -0.146 0.000 0.928 111 F N 3.165 123.003 119.950 -0.187 0.000 2.420 111 F HA 0.277 4.808 4.527 0.006 0.000 0.342 111 F C 0.725 176.165 175.800 -0.600 0.000 1.113 111 F CA -1.313 56.440 58.000 -0.412 0.000 1.059 111 F CB 1.079 39.736 39.000 -0.571 0.000 1.128 111 F HN 0.105 nan 8.300 nan 0.000 0.475 112 L N 5.791 126.931 121.223 -0.138 0.000 2.462 112 L HA 0.171 4.515 4.340 0.006 0.000 0.272 112 L C -1.319 175.452 176.870 -0.165 0.000 1.166 112 L CA 0.116 54.896 54.840 -0.100 0.000 0.880 112 L CB -0.819 41.239 42.059 -0.002 0.000 1.142 112 L HN 0.449 nan 8.230 nan 0.000 0.473 113 Y N 2.244 122.654 120.300 0.183 0.000 2.686 113 Y HA 0.621 5.175 4.550 0.006 0.000 0.330 113 Y C 0.361 176.381 175.900 0.199 0.000 1.082 113 Y CA -1.024 57.195 58.100 0.197 0.000 1.158 113 Y CB 1.874 40.444 38.460 0.183 0.000 1.333 113 Y HN 0.395 nan 8.280 nan 0.000 0.519 114 T N 1.768 116.578 114.554 0.426 0.000 2.840 114 T HA 0.538 4.891 4.350 0.006 0.000 0.287 114 T C -1.276 173.591 174.700 0.279 0.000 0.991 114 T CA -0.605 61.714 62.100 0.364 0.000 0.964 114 T CB 0.949 70.037 68.868 0.367 0.000 0.954 114 T HN 0.292 nan 8.240 nan 0.000 0.438 115 V N 4.620 124.675 119.914 0.236 0.000 2.513 115 V HA 0.644 4.767 4.120 0.006 0.000 0.299 115 V C -0.040 176.171 176.094 0.196 0.000 1.035 115 V CA -0.854 61.519 62.300 0.122 0.000 0.889 115 V CB 1.599 33.404 31.823 -0.029 0.000 0.988 115 V HN 0.964 nan 8.190 nan 0.000 0.440 116 E N 2.133 122.451 120.200 0.196 0.000 2.433 116 E HA 0.590 4.944 4.350 0.006 0.000 0.273 116 E C -1.306 175.489 176.600 0.324 0.000 0.950 116 E CA -1.085 55.510 56.400 0.326 0.000 0.796 116 E CB 1.597 31.493 29.700 0.326 0.000 1.330 116 E HN 0.674 nan 8.360 nan 0.000 0.455 117 H N 0.274 119.599 119.070 0.425 0.000 2.679 117 H HA 0.184 4.744 4.556 0.006 0.000 0.369 117 H C -0.390 175.055 175.328 0.195 0.000 1.178 117 H CA 0.073 56.311 56.048 0.317 0.000 1.419 117 H CB 0.731 30.664 29.762 0.285 0.000 1.458 117 H HN 0.156 nan 8.280 nan 0.000 0.605 118 K N 2.054 122.563 120.400 0.182 0.000 2.296 118 K HA 0.167 4.491 4.320 0.006 0.000 0.257 118 K C -0.875 175.745 176.600 0.033 0.000 1.088 118 K CA -0.391 55.903 56.287 0.012 0.000 0.980 118 K CB 0.770 33.193 32.500 -0.128 0.000 1.430 118 K HN 0.305 nan 8.250 nan 0.000 0.441 119 V N 3.253 123.132 119.914 -0.058 0.000 2.442 119 V HA -0.103 4.020 4.120 0.006 0.000 0.272 119 V C 0.695 176.697 176.094 -0.155 0.000 0.989 119 V CA 0.177 62.333 62.300 -0.240 0.000 1.123 119 V CB -0.285 31.222 31.823 -0.526 0.000 1.008 119 V HN 0.629 nan 8.190 nan 0.000 0.469 120 D N 4.911 125.279 120.400 -0.053 0.000 2.441 120 D HA 0.357 5.001 4.640 0.006 0.000 0.243 120 D C 0.430 176.707 176.300 -0.038 0.000 1.257 120 D CA 0.914 54.893 54.000 -0.034 0.000 1.027 120 D CB 0.397 41.197 40.800 -0.000 0.000 1.084 120 D HN 0.665 nan 8.370 nan 0.000 0.514 121 G N 1.780 110.553 108.800 -0.046 0.000 2.871 121 G HA2 0.511 4.475 3.960 0.006 0.000 0.282 121 G HA3 0.511 4.475 3.960 0.006 0.000 0.282 121 G C -1.530 173.361 174.900 -0.014 0.000 1.212 121 G CA -0.637 44.460 45.100 -0.005 0.000 0.812 121 G HN 0.298 nan 8.290 nan 0.000 0.547 122 L N 1.246 122.463 121.223 -0.010 0.000 2.333 122 L HA 0.515 4.858 4.340 0.006 0.000 0.280 122 L C 0.383 177.247 176.870 -0.010 0.000 1.004 122 L CA -0.389 54.443 54.840 -0.013 0.000 0.820 122 L CB 1.985 44.031 42.059 -0.022 0.000 1.247 122 L HN 0.398 nan 8.230 nan 0.000 0.416 123 S N 2.205 117.909 115.700 0.007 0.000 2.537 123 S HA 0.455 4.928 4.470 0.006 0.000 0.286 123 S C -0.068 174.535 174.600 0.005 0.000 1.299 123 S CA -0.613 57.598 58.200 0.018 0.000 1.067 123 S CB 0.626 63.847 63.200 0.034 0.000 0.864 123 S HN 0.481 nan 8.310 nan 0.000 0.494 124 V N 0.948 120.867 119.914 0.010 0.000 2.876 124 V HA 0.706 4.829 4.120 0.006 0.000 0.312 124 V C -0.636 175.477 176.094 0.031 0.000 1.085 124 V CA -1.039 61.283 62.300 0.037 0.000 0.945 124 V CB 2.188 34.060 31.823 0.082 0.000 1.017 124 V HN 0.693 nan 8.190 nan 0.000 0.428 125 N N 2.273 120.965 118.700 -0.014 0.000 2.321 125 N HA 0.682 5.426 4.740 0.006 0.000 0.299 125 N C -1.705 173.730 175.510 -0.125 0.000 1.048 125 N CA -0.417 52.589 53.050 -0.074 0.000 0.836 125 N CB 1.818 40.241 38.487 -0.107 0.000 1.269 125 N HN 0.741 nan 8.380 nan 0.000 0.486 126 L N 4.311 125.480 121.223 -0.091 0.000 2.442 126 L HA 0.303 4.647 4.340 0.006 0.000 0.261 126 L C -1.077 175.855 176.870 0.102 0.000 1.000 126 L CA -0.652 54.148 54.840 -0.066 0.000 0.882 126 L CB 0.434 42.555 42.059 0.103 0.000 1.207 126 L HN 0.451 nan 8.230 nan 0.000 0.443 127 Y N 3.768 123.907 120.300 -0.268 0.000 2.316 127 Y HA 0.505 5.059 4.550 0.007 0.000 0.331 127 Y C -1.292 174.608 175.900 -0.000 0.000 1.083 127 Y CA -0.473 57.618 58.100 -0.014 0.000 1.206 127 Y CB 0.498 39.002 38.460 0.074 0.000 1.195 127 Y HN 0.424 nan 8.280 nan 0.000 0.497 128 Y N 3.582 123.603 120.300 -0.465 0.000 2.406 128 Y HA 0.424 4.978 4.550 0.006 0.000 0.340 128 Y C -0.347 175.219 175.900 -0.556 0.000 0.975 128 Y CA -1.271 56.575 58.100 -0.424 0.000 1.056 128 Y CB 1.774 40.145 38.460 -0.148 0.000 1.210 128 Y HN 0.537 nan 8.280 nan 0.000 0.448 129 E N 2.550 122.551 120.200 -0.331 0.000 2.183 129 E HA 0.264 4.617 4.350 0.006 0.000 0.271 129 E C -0.430 176.120 176.600 -0.083 0.000 0.919 129 E CA -0.561 55.703 56.400 -0.226 0.000 0.781 129 E CB 1.126 30.682 29.700 -0.240 0.000 1.140 129 E HN 0.609 nan 8.360 nan 0.000 0.402 130 E N 1.587 121.765 120.200 -0.036 0.000 3.049 130 E HA -0.352 4.002 4.350 0.006 0.000 0.272 130 E C 0.823 177.424 176.600 0.002 0.000 1.051 130 E CA 1.383 57.776 56.400 -0.012 0.000 0.813 130 E CB -1.721 27.964 29.700 -0.024 0.000 1.409 130 E HN 1.064 nan 8.360 nan 0.000 0.454 131 G N -1.677 107.138 108.800 0.025 0.000 2.376 131 G HA2 -0.309 3.655 3.960 0.006 0.000 0.208 131 G HA3 -0.309 3.655 3.960 0.006 0.000 0.208 131 G C 0.347 175.324 174.900 0.129 0.000 1.032 131 G CA -0.138 44.995 45.100 0.055 0.000 0.641 131 G HN 0.391 nan 8.290 nan 0.000 0.503 132 V N 2.664 122.598 119.914 0.033 0.000 2.763 132 V HA 0.418 4.541 4.120 0.006 0.000 0.306 132 V C 1.005 177.023 176.094 -0.126 0.000 1.059 132 V CA 0.156 62.444 62.300 -0.019 0.000 1.138 132 V CB 1.467 33.255 31.823 -0.058 0.000 0.940 132 V HN 0.640 nan 8.190 nan 0.000 0.489 133 L N 6.123 127.192 121.223 -0.257 0.000 2.385 133 L HA 0.203 4.547 4.340 0.006 0.000 0.281 133 L C 0.783 177.454 176.870 -0.332 0.000 1.106 133 L CA 0.777 55.239 54.840 -0.631 0.000 0.856 133 L CB 0.818 42.507 42.059 -0.617 0.000 1.186 133 L HN 0.482 nan 8.230 nan 0.000 0.453 134 V N 6.182 125.923 119.914 -0.288 0.000 2.256 134 V HA 0.033 4.157 4.120 0.006 0.000 0.240 134 V C 0.684 176.888 176.094 0.184 0.000 1.036 134 V CA 1.905 64.195 62.300 -0.017 0.000 1.008 134 V CB -0.593 31.290 31.823 0.100 0.000 0.648 134 V HN 0.835 nan 8.190 nan 0.000 0.453 135 F N -2.148 117.758 119.950 -0.074 0.000 2.789 135 F HA 0.792 5.322 4.527 0.005 0.000 0.319 135 F C -0.462 175.331 175.800 -0.013 0.000 1.168 135 F CA -0.517 57.472 58.000 -0.019 0.000 0.934 135 F CB 1.617 40.646 39.000 0.048 0.000 1.375 135 F HN 0.003 nan 8.300 nan 0.000 0.480 136 G N 0.731 109.404 108.800 -0.212 0.000 2.733 136 G HA2 0.728 4.692 3.960 0.006 0.000 0.289 136 G HA3 0.728 4.692 3.960 0.006 0.000 0.289 136 G C -2.034 172.791 174.900 -0.124 0.000 1.473 136 G CA -0.370 44.545 45.100 -0.308 0.000 1.123 136 G HN 1.086 nan 8.290 nan 0.000 0.544 137 A N 1.792 124.521 122.820 -0.151 0.000 2.386 137 A HA 0.963 5.286 4.320 0.006 0.000 0.308 137 A C 0.640 178.292 177.584 0.113 0.000 1.128 137 A CA -0.125 51.965 52.037 0.089 0.000 0.789 137 A CB 1.237 20.378 19.000 0.236 0.000 1.325 137 A HN 1.521 nan 8.150 nan 0.000 0.437 138 T N -1.452 113.174 114.554 0.120 0.000 2.816 138 T HA 0.268 4.621 4.350 0.006 0.000 0.282 138 T C 1.147 175.945 174.700 0.164 0.000 0.993 138 T CA -0.342 61.810 62.100 0.088 0.000 0.994 138 T CB 0.706 69.594 68.868 0.033 0.000 1.025 138 T HN 0.653 nan 8.240 nan 0.000 0.529 139 R N 0.638 121.191 120.500 0.088 0.000 2.115 139 R HA 0.007 4.351 4.340 0.006 0.000 0.230 139 R C 1.848 178.244 176.300 0.161 0.000 1.111 139 R CA 1.503 57.651 56.100 0.079 0.000 0.976 139 R CB -1.509 28.800 30.300 0.015 0.000 0.870 139 R HN 1.074 nan 8.270 nan 0.000 0.445 140 G N 1.111 109.974 108.800 0.105 0.000 2.665 140 G HA2 -0.434 3.530 3.960 0.006 0.000 0.326 140 G HA3 -0.434 3.530 3.960 0.006 0.000 0.326 140 G C 0.168 175.108 174.900 0.066 0.000 1.231 140 G CA 0.958 46.108 45.100 0.083 0.000 0.992 140 G HN 0.601 nan 8.290 nan 0.000 0.549 141 D N 0.759 121.199 120.400 0.066 0.000 2.368 141 D HA 0.440 5.083 4.640 0.006 0.000 0.218 141 D C 1.618 177.933 176.300 0.024 0.000 1.112 141 D CA 1.147 55.170 54.000 0.037 0.000 0.834 141 D CB 0.084 40.897 40.800 0.022 0.000 0.953 141 D HN 2.062 nan 8.370 nan 0.000 0.505 142 G N 0.188 109.018 108.800 0.051 0.000 2.284 142 G HA2 -0.300 3.663 3.960 0.006 0.000 0.216 142 G HA3 -0.300 3.663 3.960 0.006 0.000 0.216 142 G C 0.988 175.907 174.900 0.033 0.000 1.009 142 G CA 0.249 45.340 45.100 -0.015 0.000 0.625 142 G HN 0.402 nan 8.290 nan 0.000 0.501 143 E N -1.037 119.218 120.200 0.092 0.000 2.357 143 E HA 0.381 4.734 4.350 0.006 0.000 0.202 143 E C 0.095 176.738 176.600 0.071 0.000 0.855 143 E CA 0.700 57.166 56.400 0.109 0.000 1.048 143 E CB 1.227 30.924 29.700 -0.005 0.000 1.037 143 E HN 0.269 nan 8.360 nan 0.000 0.499 144 V N 1.001 120.911 119.914 -0.006 0.000 2.540 144 V HA 0.664 4.787 4.120 0.006 0.000 0.302 144 V C 0.043 176.101 176.094 -0.060 0.000 1.035 144 V CA -0.708 61.510 62.300 -0.136 0.000 0.873 144 V CB 1.558 33.337 31.823 -0.073 0.000 0.992 144 V HN 0.241 nan 8.190 nan 0.000 0.428 145 G N 2.457 111.170 108.800 -0.144 0.000 2.658 145 G HA2 0.631 4.594 3.960 0.006 0.000 0.292 145 G HA3 0.631 4.594 3.960 0.006 0.000 0.292 145 G C -0.993 173.937 174.900 0.051 0.000 1.320 145 G CA -0.650 44.474 45.100 0.039 0.000 0.933 145 G HN 0.575 nan 8.290 nan 0.000 0.476 146 E N 0.794 121.038 120.200 0.074 0.000 2.373 146 E HA 0.082 4.435 4.350 0.006 0.000 0.267 146 E C -0.355 176.331 176.600 0.142 0.000 1.032 146 E CA -0.233 56.224 56.400 0.095 0.000 0.889 146 E CB 1.717 31.441 29.700 0.039 0.000 0.984 146 E HN 0.418 nan 8.360 nan 0.000 0.425 147 E N 2.360 122.681 120.200 0.201 0.000 2.289 147 E HA 0.102 4.455 4.350 0.006 0.000 0.278 147 E C -0.920 175.830 176.600 0.250 0.000 1.032 147 E CA -0.206 56.348 56.400 0.256 0.000 0.854 147 E CB 1.431 31.274 29.700 0.239 0.000 1.046 147 E HN 0.297 nan 8.360 nan 0.000 0.409 148 V N 4.690 124.721 119.914 0.196 0.000 3.426 148 V HA -0.002 4.122 4.120 0.006 0.000 0.461 148 V C 0.937 177.103 176.094 0.120 0.000 1.576 148 V CA 0.387 62.789 62.300 0.170 0.000 1.732 148 V CB 0.238 32.098 31.823 0.062 0.000 1.199 148 V HN 0.771 nan 8.190 nan 0.000 0.603 149 T N 0.083 114.712 114.554 0.125 0.000 2.653 149 T HA -0.248 4.105 4.350 0.006 0.000 0.268 149 T C 1.775 176.503 174.700 0.047 0.000 1.035 149 T CA 2.261 64.404 62.100 0.072 0.000 1.154 149 T CB -0.152 68.770 68.868 0.091 0.000 0.862 149 T HN 0.484 nan 8.240 nan 0.000 0.441 150 Q N 1.194 121.039 119.800 0.075 0.000 1.985 150 Q HA -0.143 4.201 4.340 0.006 0.000 0.207 150 Q C 2.329 178.341 176.000 0.021 0.000 0.996 150 Q CA 1.783 57.619 55.803 0.055 0.000 0.851 150 Q CB -0.822 27.970 28.738 0.090 0.000 0.921 150 Q HN 0.519 nan 8.270 nan 0.000 0.418 151 N N 0.376 119.111 118.700 0.058 0.000 2.258 151 N HA -0.141 4.602 4.740 0.006 0.000 0.187 151 N C 1.651 177.154 175.510 -0.012 0.000 1.012 151 N CA 0.809 53.880 53.050 0.035 0.000 0.870 151 N CB -0.359 38.162 38.487 0.058 0.000 0.977 151 N HN 0.258 nan 8.380 nan 0.000 0.434 152 L N -0.334 120.883 121.223 -0.010 0.000 2.551 152 L HA 0.013 4.356 4.340 0.006 0.000 0.228 152 L C 1.149 177.974 176.870 -0.076 0.000 1.153 152 L CA 0.241 55.071 54.840 -0.016 0.000 0.851 152 L CB -0.174 41.892 42.059 0.013 0.000 0.959 152 L HN 0.191 nan 8.230 nan 0.000 0.451 153 L N -0.283 120.850 121.223 -0.151 0.000 2.446 153 L HA -0.005 4.339 4.340 0.006 0.000 0.219 153 L C 2.609 179.158 176.870 -0.535 0.000 1.116 153 L CA 1.469 56.111 54.840 -0.330 0.000 0.844 153 L CB -1.168 40.663 42.059 -0.380 0.000 0.970 153 L HN 0.369 nan 8.230 nan 0.000 0.457 154 T N -2.782 111.585 114.554 -0.312 0.000 3.113 154 T HA 0.032 4.385 4.350 0.006 0.000 0.263 154 T C 0.991 175.656 174.700 -0.059 0.000 1.143 154 T CA 0.290 62.294 62.100 -0.160 0.000 1.090 154 T CB -0.320 68.553 68.868 0.009 0.000 0.922 154 T HN 0.112 nan 8.240 nan 0.000 0.521 155 I N 3.532 124.053 120.570 -0.082 0.000 2.287 155 I HA 0.226 4.399 4.170 0.006 0.000 0.290 155 I C -1.303 174.798 176.117 -0.026 0.000 1.069 155 I CA -2.607 58.672 61.300 -0.035 0.000 1.237 155 I CB 1.560 39.541 38.000 -0.031 0.000 1.418 155 I HN -0.072 nan 8.210 nan 0.000 0.481 156 P HA -0.212 nan 4.420 nan 0.000 0.220 156 P C 1.417 178.722 177.300 0.008 0.000 1.144 156 P CA 1.512 64.630 63.100 0.031 0.000 0.800 156 P CB -0.059 31.683 31.700 0.070 0.000 0.772 157 T N -2.577 111.987 114.554 0.017 0.000 2.942 157 T HA 0.011 4.364 4.350 0.006 0.000 0.265 157 T C 1.188 175.913 174.700 0.042 0.000 1.062 157 T CA 0.052 62.170 62.100 0.030 0.000 1.139 157 T CB -0.946 67.956 68.868 0.056 0.000 0.883 157 T HN 0.004 nan 8.240 nan 0.000 0.468 158 I N 4.943 125.556 120.570 0.072 0.000 2.664 158 I HA 0.164 4.338 4.170 0.006 0.000 0.284 158 I C -1.869 174.219 176.117 -0.047 0.000 1.154 158 I CA -1.770 59.592 61.300 0.104 0.000 1.402 158 I CB 0.096 38.179 38.000 0.139 0.000 1.395 158 I HN 0.211 nan 8.210 nan 0.000 0.545 159 P HA 0.190 nan 4.420 nan 0.000 0.274 159 P C -0.187 177.022 177.300 -0.151 0.000 1.231 159 P CA -0.319 62.619 63.100 -0.269 0.000 0.790 159 P CB 1.334 32.699 31.700 -0.559 0.000 0.951 160 R N 0.679 121.086 120.500 -0.155 0.000 2.250 160 R HA 0.194 4.537 4.340 0.006 0.000 0.194 160 R C 0.629 176.907 176.300 -0.038 0.000 0.927 160 R CA 0.155 56.196 56.100 -0.099 0.000 1.052 160 R CB 0.490 30.672 30.300 -0.197 0.000 1.055 160 R HN 0.386 nan 8.270 nan 0.000 0.537 161 R N 1.321 121.761 120.500 -0.100 0.000 2.451 161 R HA 0.302 4.645 4.340 0.006 0.000 0.307 161 R C -0.976 175.237 176.300 -0.146 0.000 0.965 161 R CA -0.638 55.415 56.100 -0.079 0.000 0.865 161 R CB 1.691 31.941 30.300 -0.084 0.000 1.174 161 R HN -0.113 nan 8.270 nan 0.000 0.455 162 L N 1.686 122.827 121.223 -0.137 0.000 2.569 162 L HA 0.555 4.898 4.340 0.006 0.000 0.247 162 L C 0.252 177.046 176.870 -0.127 0.000 1.135 162 L CA -0.281 54.427 54.840 -0.220 0.000 0.812 162 L CB 0.279 42.188 42.059 -0.251 0.000 1.431 162 L HN 0.232 nan 8.230 nan 0.000 0.499 163 K N -0.375 119.954 120.400 -0.118 0.000 2.587 163 K HA 0.445 4.768 4.320 0.006 0.000 0.256 163 K C -0.170 176.420 176.600 -0.017 0.000 0.974 163 K CA 0.272 56.524 56.287 -0.058 0.000 0.855 163 K CB 1.451 33.911 32.500 -0.067 0.000 1.292 163 K HN 0.634 nan 8.250 nan 0.000 0.444 164 G N 1.016 109.835 108.800 0.030 0.000 2.132 164 G HA2 -0.245 3.719 3.960 0.006 0.000 0.234 164 G HA3 -0.245 3.719 3.960 0.006 0.000 0.234 164 G C 0.054 175.053 174.900 0.164 0.000 0.989 164 G CA 0.284 45.433 45.100 0.081 0.000 0.676 164 G HN 0.639 nan 8.290 nan 0.000 0.522 165 V N -2.909 117.094 119.914 0.149 0.000 2.966 165 V HA 0.914 5.038 4.120 0.006 0.000 0.317 165 V C -1.700 174.472 176.094 0.130 0.000 1.070 165 V CA -2.735 59.705 62.300 0.233 0.000 1.008 165 V CB 1.291 33.244 31.823 0.216 0.000 1.070 165 V HN 0.035 nan 8.190 nan 0.000 0.457 166 P HA 0.172 nan 4.420 nan 0.000 0.268 166 P C 0.293 177.630 177.300 0.062 0.000 1.205 166 P CA 0.023 63.160 63.100 0.061 0.000 0.771 166 P CB 0.346 32.067 31.700 0.036 0.000 0.858 167 D N 2.067 122.496 120.400 0.048 0.000 2.220 167 D HA -0.181 4.463 4.640 0.006 0.000 0.198 167 D C 0.323 176.654 176.300 0.051 0.000 1.001 167 D CA 1.566 55.591 54.000 0.042 0.000 0.875 167 D CB 0.159 40.982 40.800 0.039 0.000 0.921 167 D HN 0.428 nan 8.370 nan 0.000 0.454 168 R N 0.045 120.597 120.500 0.086 0.000 2.451 168 R HA 0.490 4.834 4.340 0.006 0.000 0.307 168 R C -1.066 175.330 176.300 0.160 0.000 0.965 168 R CA -0.754 55.438 56.100 0.152 0.000 0.865 168 R CB 2.082 32.520 30.300 0.230 0.000 1.174 168 R HN -0.072 nan 8.270 nan 0.000 0.455 169 L N 1.758 123.081 121.223 0.166 0.000 2.410 169 L HA 0.374 4.717 4.340 0.006 0.000 0.270 169 L C -0.899 176.118 176.870 0.244 0.000 0.983 169 L CA -0.267 54.667 54.840 0.156 0.000 0.822 169 L CB 2.003 44.117 42.059 0.091 0.000 1.285 169 L HN 0.652 nan 8.230 nan 0.000 0.409 170 E N 4.469 124.779 120.200 0.183 0.000 2.489 170 E HA 0.422 4.776 4.350 0.006 0.000 0.232 170 E C -1.258 175.353 176.600 0.017 0.000 0.990 170 E CA -0.574 55.934 56.400 0.179 0.000 0.768 170 E CB 1.164 30.969 29.700 0.176 0.000 1.270 170 E HN 0.570 nan 8.360 nan 0.000 0.423 171 V N 2.073 121.925 119.914 -0.102 0.000 2.509 171 V HA 0.651 4.775 4.120 0.006 0.000 0.284 171 V C -0.469 175.470 176.094 -0.259 0.000 1.047 171 V CA -0.608 61.497 62.300 -0.324 0.000 0.952 171 V CB 1.283 32.580 31.823 -0.877 0.000 0.988 171 V HN 0.454 nan 8.190 nan 0.000 0.469 172 R N 3.519 123.910 120.500 -0.182 0.000 2.637 172 R HA 0.931 5.274 4.340 0.006 0.000 0.291 172 R C 0.394 176.536 176.300 -0.263 0.000 0.963 172 R CA 0.371 56.406 56.100 -0.109 0.000 0.901 172 R CB 2.026 32.298 30.300 -0.046 0.000 1.160 172 R HN 1.211 nan 8.270 nan 0.000 0.457 173 G N 0.214 108.896 108.800 -0.197 0.000 2.694 173 G HA2 0.414 4.378 3.960 0.006 0.000 0.246 173 G HA3 0.414 4.378 3.960 0.006 0.000 0.246 173 G C -1.334 173.275 174.900 -0.485 0.000 1.205 173 G CA -0.391 44.215 45.100 -0.824 0.000 0.891 173 G HN 0.389 nan 8.290 nan 0.000 0.515 174 E N -1.471 118.391 120.200 -0.562 0.000 2.429 174 E HA 0.579 4.932 4.350 0.006 0.000 0.276 174 E C -1.675 174.772 176.600 -0.255 0.000 0.953 174 E CA -0.682 55.564 56.400 -0.257 0.000 0.787 174 E CB 3.307 32.944 29.700 -0.106 0.000 1.307 174 E HN 0.220 nan 8.360 nan 0.000 0.458 175 V N 2.500 122.358 119.914 -0.093 0.000 2.487 175 V HA 0.469 4.592 4.120 0.006 0.000 0.298 175 V C -1.263 174.851 176.094 0.033 0.000 1.028 175 V CA -0.472 61.790 62.300 -0.064 0.000 0.860 175 V CB 0.917 32.698 31.823 -0.069 0.000 0.991 175 V HN 0.616 nan 8.190 nan 0.000 0.427 176 Y N 2.898 123.108 120.300 -0.149 0.000 2.669 176 Y HA 0.823 5.376 4.550 0.005 0.000 0.335 176 Y C -0.673 175.190 175.900 -0.061 0.000 1.116 176 Y CA -1.574 56.458 58.100 -0.114 0.000 1.081 176 Y CB 2.130 40.498 38.460 -0.154 0.000 1.297 176 Y HN 0.542 nan 8.280 nan 0.000 0.484 177 M N 3.232 122.845 119.600 0.021 0.000 2.181 177 M HA 0.571 5.054 4.480 0.006 0.000 0.323 177 M C -2.995 173.424 176.300 0.198 0.000 1.004 177 M CA -2.014 53.288 55.300 0.003 0.000 0.941 177 M CB 2.070 34.717 32.600 0.078 0.000 1.579 177 M HN 0.456 nan 8.290 nan 0.000 0.427 178 P HA 0.144 nan 4.420 nan 0.000 0.271 178 P C 0.570 178.013 177.300 0.239 0.000 1.216 178 P CA -0.062 63.200 63.100 0.270 0.000 0.776 178 P CB 0.629 32.444 31.700 0.191 0.000 0.881 179 I N 1.188 121.887 120.570 0.214 0.000 2.185 179 I HA -0.326 3.847 4.170 0.006 0.000 0.246 179 I C 2.127 178.381 176.117 0.229 0.000 1.088 179 I CA 1.728 63.158 61.300 0.217 0.000 1.347 179 I CB -0.438 37.624 38.000 0.104 0.000 1.041 179 I HN 0.567 nan 8.210 nan 0.000 0.415 180 E N 0.933 121.225 120.200 0.152 0.000 2.023 180 E HA -0.274 4.079 4.350 0.006 0.000 0.196 180 E C 2.307 178.977 176.600 0.117 0.000 1.003 180 E CA 1.650 58.117 56.400 0.112 0.000 0.809 180 E CB -0.114 29.635 29.700 0.081 0.000 0.755 180 E HN 0.508 nan 8.360 nan 0.000 0.449 181 A N 0.877 123.770 122.820 0.122 0.000 1.841 181 A HA -0.244 4.079 4.320 0.006 0.000 0.216 181 A C 2.056 179.717 177.584 0.128 0.000 1.199 181 A CA 1.767 53.865 52.037 0.102 0.000 0.621 181 A CB -1.241 17.811 19.000 0.086 0.000 0.835 181 A HN 0.511 nan 8.150 nan 0.000 0.445 182 F N 0.664 120.653 119.950 0.064 0.000 2.063 182 F HA -0.291 4.238 4.527 0.005 0.000 0.297 182 F C 1.939 177.800 175.800 0.101 0.000 1.099 182 F CA 2.329 60.380 58.000 0.085 0.000 1.220 182 F CB -0.519 38.530 39.000 0.082 0.000 0.972 182 F HN 0.171 nan 8.300 nan 0.000 0.487 183 L N -0.325 120.912 121.223 0.023 0.000 2.083 183 L HA -0.199 4.145 4.340 0.006 0.000 0.209 183 L C 2.815 179.638 176.870 -0.079 0.000 1.083 183 L CA 1.494 56.296 54.840 -0.065 0.000 0.752 183 L CB -0.661 41.459 42.059 0.101 0.000 0.899 183 L HN 0.178 nan 8.230 nan 0.000 0.433 184 R N 0.317 120.804 120.500 -0.021 0.000 2.062 184 R HA -0.192 4.151 4.340 0.006 0.000 0.231 184 R C 2.337 178.618 176.300 -0.032 0.000 1.136 184 R CA 1.598 57.693 56.100 -0.009 0.000 0.948 184 R CB -0.394 29.918 30.300 0.021 0.000 0.845 184 R HN 0.199 nan 8.270 nan 0.000 0.430 185 L N 1.614 122.815 121.223 -0.037 0.000 2.127 185 L HA -0.164 4.179 4.340 0.006 0.000 0.211 185 L C 1.483 178.309 176.870 -0.073 0.000 1.089 185 L CA 1.950 56.778 54.840 -0.019 0.000 0.757 185 L CB -0.833 41.252 42.059 0.043 0.000 0.899 185 L HN 0.147 nan 8.230 nan 0.000 0.434 186 N N -0.486 118.102 118.700 -0.187 0.000 2.331 186 N HA -0.125 4.618 4.740 0.006 0.000 0.180 186 N C 1.748 177.199 175.510 -0.097 0.000 1.019 186 N CA 1.083 54.006 53.050 -0.212 0.000 0.881 186 N CB 0.065 38.309 38.487 -0.406 0.000 0.972 186 N HN 0.535 nan 8.380 nan 0.000 0.435 187 E N 0.169 120.332 120.200 -0.062 0.000 2.046 187 E HA -0.078 4.276 4.350 0.006 0.000 0.190 187 E C 1.497 178.093 176.600 -0.007 0.000 0.982 187 E CA 0.797 57.188 56.400 -0.015 0.000 0.800 187 E CB 0.026 29.722 29.700 -0.006 0.000 0.756 187 E HN 0.424 nan 8.360 nan 0.000 0.449 188 E N 0.455 120.648 120.200 -0.013 0.000 2.160 188 E HA -0.189 4.164 4.350 0.006 0.000 0.195 188 E C 2.078 178.669 176.600 -0.015 0.000 0.991 188 E CA 0.685 57.082 56.400 -0.005 0.000 0.810 188 E CB 0.005 29.706 29.700 0.002 0.000 0.742 188 E HN 0.254 nan 8.360 nan 0.000 0.466 189 L N 0.764 121.963 121.223 -0.040 0.000 2.072 189 L HA -0.144 4.199 4.340 0.006 0.000 0.205 189 L C 2.305 179.153 176.870 -0.037 0.000 1.079 189 L CA 0.995 55.797 54.840 -0.064 0.000 0.752 189 L CB -0.281 41.696 42.059 -0.137 0.000 0.906 189 L HN 0.086 nan 8.230 nan 0.000 0.436 190 E N -0.081 120.113 120.200 -0.010 0.000 2.085 190 E HA -0.226 4.128 4.350 0.006 0.000 0.194 190 E C 2.089 178.719 176.600 0.049 0.000 0.994 190 E CA 1.066 57.494 56.400 0.046 0.000 0.801 190 E CB -0.049 29.713 29.700 0.103 0.000 0.743 190 E HN 0.408 nan 8.360 nan 0.000 0.453 191 E N 0.820 121.041 120.200 0.035 0.000 2.051 191 E HA -0.157 4.197 4.350 0.006 0.000 0.192 191 E C 2.036 178.647 176.600 0.019 0.000 0.991 191 E CA 0.896 57.315 56.400 0.033 0.000 0.799 191 E CB -0.235 29.479 29.700 0.024 0.000 0.748 191 E HN 0.241 nan 8.360 nan 0.000 0.449 192 R N -0.617 119.886 120.500 0.005 0.000 2.193 192 R HA -0.074 4.270 4.340 0.006 0.000 0.229 192 R C 1.382 177.678 176.300 -0.005 0.000 1.110 192 R CA 0.885 56.983 56.100 -0.004 0.000 0.988 192 R CB -0.036 30.257 30.300 -0.011 0.000 0.871 192 R HN 0.336 nan 8.270 nan 0.000 0.458 193 G N 0.765 109.567 108.800 0.003 0.000 2.159 193 G HA2 -0.187 3.777 3.960 0.006 0.000 0.227 193 G HA3 -0.187 3.777 3.960 0.006 0.000 0.227 193 G C -0.141 174.755 174.900 -0.007 0.000 0.986 193 G CA -0.270 44.834 45.100 0.006 0.000 0.651 193 G HN 0.209 nan 8.290 nan 0.000 0.523 194 E N 0.202 120.386 120.200 -0.028 0.000 2.345 194 E HA 0.358 4.712 4.350 0.006 0.000 0.259 194 E C 0.379 176.936 176.600 -0.071 0.000 1.117 194 E CA -0.565 55.799 56.400 -0.059 0.000 0.913 194 E CB 1.040 30.686 29.700 -0.091 0.000 1.057 194 E HN 0.379 nan 8.360 nan 0.000 0.432 195 K N 1.193 121.534 120.400 -0.098 0.000 2.276 195 K HA 0.177 4.501 4.320 0.006 0.000 0.283 195 K C -0.050 176.420 176.600 -0.217 0.000 1.044 195 K CA -0.433 55.799 56.287 -0.092 0.000 0.944 195 K CB 0.660 33.105 32.500 -0.091 0.000 1.012 195 K HN 0.336 nan 8.250 nan 0.000 0.472 196 V N 1.651 121.435 119.914 -0.217 0.000 2.953 196 V HA 0.373 4.497 4.120 0.006 0.000 0.304 196 V C -0.059 175.931 176.094 -0.174 0.000 1.073 196 V CA -0.709 61.405 62.300 -0.310 0.000 1.064 196 V CB 0.337 31.915 31.823 -0.409 0.000 1.047 196 V HN 0.572 nan 8.190 nan 0.000 0.478 197 F N 1.328 121.287 119.950 0.016 0.000 2.459 197 F HA 0.375 4.905 4.527 0.004 0.000 0.346 197 F C 1.549 177.532 175.800 0.306 0.000 1.128 197 F CA -0.211 57.886 58.000 0.161 0.000 1.268 197 F CB 0.899 40.037 39.000 0.231 0.000 1.161 197 F HN 0.533 nan 8.300 nan 0.000 0.583 198 K N 1.267 121.994 120.400 0.545 0.000 2.404 198 K HA 0.093 4.417 4.320 0.006 0.000 0.194 198 K C -0.726 176.166 176.600 0.487 0.000 1.023 198 K CA 0.114 56.712 56.287 0.519 0.000 1.094 198 K CB -0.269 32.467 32.500 0.394 0.000 0.841 198 K HN 0.766 nan 8.250 nan 0.000 0.523 199 N N -3.004 115.962 118.700 0.442 0.000 3.521 199 N HA 0.070 4.814 4.740 0.006 0.000 0.228 199 N C -3.010 172.424 175.510 -0.126 0.000 1.328 199 N CA -1.114 51.934 53.050 -0.002 0.000 0.907 199 N CB 1.181 39.690 38.487 0.037 0.000 1.487 199 N HN -0.391 nan 8.380 nan 0.000 0.503 200 P HA -0.097 nan 4.420 nan 0.000 0.223 200 P C 0.959 178.216 177.300 -0.070 0.000 1.144 200 P CA 0.979 63.943 63.100 -0.228 0.000 0.783 200 P CB 0.219 31.768 31.700 -0.251 0.000 0.771 201 R N -0.179 120.280 120.500 -0.067 0.000 2.056 201 R HA -0.053 4.290 4.340 0.006 0.000 0.227 201 R C 1.945 178.191 176.300 -0.090 0.000 1.149 201 R CA 1.726 57.797 56.100 -0.048 0.000 0.937 201 R CB -0.629 29.656 30.300 -0.026 0.000 0.835 201 R HN 0.169 nan 8.270 nan 0.000 0.430 202 N N 0.174 118.823 118.700 -0.086 0.000 2.018 202 N HA -0.216 4.528 4.740 0.006 0.000 0.196 202 N C 1.829 177.024 175.510 -0.526 0.000 1.043 202 N CA 1.274 54.233 53.050 -0.152 0.000 0.856 202 N CB -0.267 38.232 38.487 0.019 0.000 1.042 202 N HN 0.283 nan 8.380 nan 0.000 0.423 203 A N 0.815 123.156 122.820 -0.799 0.000 2.084 203 A HA -0.089 4.234 4.320 0.006 0.000 0.221 203 A C 2.203 179.457 177.584 -0.550 0.000 1.161 203 A CA 1.816 53.050 52.037 -1.339 0.000 0.653 203 A CB -0.604 18.181 19.000 -0.358 0.000 0.802 203 A HN 0.432 nan 8.150 nan 0.000 0.457 204 A N -0.707 121.948 122.820 -0.274 0.000 1.984 204 A HA 0.415 4.739 4.320 0.006 0.000 0.214 204 A C 2.422 179.923 177.584 -0.140 0.000 1.173 204 A CA 1.354 53.307 52.037 -0.140 0.000 0.673 204 A CB -0.825 18.137 19.000 -0.062 0.000 0.830 204 A HN 0.915 nan 8.150 nan 0.000 0.453 205 A N 0.116 122.840 122.820 -0.161 0.000 1.851 205 A HA 0.076 4.399 4.320 0.006 0.000 0.216 205 A C 2.427 179.949 177.584 -0.103 0.000 1.195 205 A CA 2.139 54.108 52.037 -0.114 0.000 0.622 205 A CB -1.560 17.385 19.000 -0.091 0.000 0.831 205 A HN 0.714 nan 8.150 nan 0.000 0.444 206 G N -0.709 108.031 108.800 -0.101 0.000 2.480 206 G HA2 -0.207 3.757 3.960 0.006 0.000 0.216 206 G HA3 -0.207 3.757 3.960 0.006 0.000 0.216 206 G C 1.752 176.667 174.900 0.026 0.000 1.200 206 G CA 1.385 46.502 45.100 0.028 0.000 0.782 206 G HN 0.504 nan 8.290 nan 0.000 0.554 207 S N 0.049 115.751 115.700 0.004 0.000 2.461 207 S HA -0.127 4.346 4.470 0.006 0.000 0.246 207 S C 1.905 176.510 174.600 0.009 0.000 1.007 207 S CA 1.271 59.487 58.200 0.027 0.000 0.976 207 S CB -0.121 63.082 63.200 0.005 0.000 0.763 207 S HN 0.291 nan 8.310 nan 0.000 0.508 208 L N 0.239 121.444 121.223 -0.029 0.000 2.575 208 L HA 0.371 4.714 4.340 0.006 0.000 0.228 208 L C 1.225 178.047 176.870 -0.081 0.000 1.075 208 L CA 0.592 55.409 54.840 -0.039 0.000 0.867 208 L CB 0.122 42.146 42.059 -0.058 0.000 1.097 208 L HN -0.070 nan 8.230 nan 0.000 0.485 209 R N 0.670 121.092 120.500 -0.131 0.000 4.141 209 R HA 0.226 4.570 4.340 0.006 0.000 0.281 209 R C -0.709 175.558 176.300 -0.056 0.000 1.608 209 R CA -0.137 55.768 56.100 -0.325 0.000 1.426 209 R CB -0.153 29.945 30.300 -0.336 0.000 1.432 209 R HN 0.250 nan 8.270 nan 0.000 0.708 210 Q N 0.552 120.430 119.800 0.130 0.000 2.312 210 Q HA 0.171 4.514 4.340 0.006 0.000 0.263 210 Q C 0.186 176.415 176.000 0.381 0.000 0.995 210 Q CA -0.440 55.506 55.803 0.238 0.000 0.853 210 Q CB 2.169 30.997 28.738 0.150 0.000 1.300 210 Q HN 0.142 nan 8.270 nan 0.000 0.448 211 K N 0.629 121.215 120.400 0.310 0.000 2.002 211 K HA -0.147 4.177 4.320 0.006 0.000 0.209 211 K C 0.280 176.947 176.600 0.113 0.000 1.048 211 K CA 1.258 57.636 56.287 0.153 0.000 0.930 211 K CB 0.112 32.639 32.500 0.043 0.000 0.714 211 K HN 0.483 nan 8.250 nan 0.000 0.438 212 D N 1.388 121.852 120.400 0.108 0.000 2.402 212 D HA 0.033 4.676 4.640 0.006 0.000 0.235 212 D C -1.668 174.700 176.300 0.113 0.000 1.226 212 D CA -2.194 51.862 54.000 0.092 0.000 0.918 212 D CB 1.049 41.898 40.800 0.081 0.000 1.043 212 D HN -0.026 nan 8.370 nan 0.000 0.506 213 P HA -0.190 nan 4.420 nan 0.000 0.226 213 P C 1.260 178.642 177.300 0.138 0.000 1.146 213 P CA 0.576 63.753 63.100 0.129 0.000 0.773 213 P CB 0.260 32.038 31.700 0.130 0.000 0.772 214 R N 0.222 120.803 120.500 0.134 0.000 2.148 214 R HA -0.041 4.303 4.340 0.006 0.000 0.227 214 R C 1.912 178.276 176.300 0.106 0.000 1.103 214 R CA 0.839 57.017 56.100 0.131 0.000 0.983 214 R CB -0.393 29.979 30.300 0.120 0.000 0.874 214 R HN 0.017 nan 8.270 nan 0.000 0.451 215 V N -0.139 119.834 119.914 0.099 0.000 2.323 215 V HA -0.172 3.952 4.120 0.006 0.000 0.244 215 V C 2.021 178.165 176.094 0.083 0.000 1.041 215 V CA 2.148 64.500 62.300 0.087 0.000 1.025 215 V CB -0.481 31.395 31.823 0.089 0.000 0.656 215 V HN 0.381 nan 8.190 nan 0.000 0.451 216 T N 0.703 115.309 114.554 0.086 0.000 2.822 216 T HA -0.183 4.171 4.350 0.006 0.000 0.270 216 T C 1.892 176.628 174.700 0.061 0.000 1.064 216 T CA 1.557 63.697 62.100 0.067 0.000 1.131 216 T CB -0.346 68.559 68.868 0.061 0.000 0.858 216 T HN 0.568 nan 8.240 nan 0.000 0.483 217 A N 1.804 124.675 122.820 0.085 0.000 2.067 217 A HA -0.004 4.320 4.320 0.006 0.000 0.217 217 A C 2.157 179.783 177.584 0.069 0.000 1.156 217 A CA 1.238 53.331 52.037 0.093 0.000 0.683 217 A CB -0.305 18.782 19.000 0.147 0.000 0.808 217 A HN 0.667 nan 8.150 nan 0.000 0.455 218 K N -0.976 119.462 120.400 0.063 0.000 2.361 218 K HA 0.077 4.401 4.320 0.006 0.000 0.196 218 K C 0.436 177.062 176.600 0.045 0.000 1.039 218 K CA -0.246 56.071 56.287 0.051 0.000 1.001 218 K CB 0.093 32.623 32.500 0.051 0.000 0.795 218 K HN 0.144 nan 8.250 nan 0.000 0.495 219 R N 0.670 121.197 120.500 0.045 0.000 2.615 219 R HA 0.107 4.450 4.340 0.006 0.000 0.270 219 R C 1.392 177.703 176.300 0.018 0.000 1.081 219 R CA 0.403 56.526 56.100 0.039 0.000 1.154 219 R CB 0.593 30.918 30.300 0.041 0.000 1.063 219 R HN 0.313 nan 8.270 nan 0.000 0.519 220 G N 0.969 109.775 108.800 0.010 0.000 2.484 220 G HA2 -0.101 3.863 3.960 0.006 0.000 0.218 220 G HA3 -0.101 3.863 3.960 0.006 0.000 0.218 220 G C 0.349 175.202 174.900 -0.079 0.000 1.130 220 G CA -0.187 44.904 45.100 -0.016 0.000 0.784 220 G HN 0.329 nan 8.290 nan 0.000 0.543 221 L N 0.469 121.629 121.223 -0.104 0.000 4.017 221 L HA -0.151 4.192 4.340 0.006 0.000 0.482 221 L C 0.838 177.555 176.870 -0.255 0.000 1.045 221 L CA 0.970 55.698 54.840 -0.187 0.000 0.650 221 L CB -0.373 41.618 42.059 -0.112 0.000 0.973 221 L HN 0.256 nan 8.230 nan 0.000 0.913 222 R N 1.877 122.076 120.500 -0.503 0.000 2.803 222 R HA 0.895 5.238 4.340 0.006 0.000 0.276 222 R C -0.827 175.151 176.300 -0.536 0.000 0.978 222 R CA -0.572 55.186 56.100 -0.569 0.000 0.939 222 R CB 1.937 31.821 30.300 -0.693 0.000 1.179 222 R HN 0.714 nan 8.270 nan 0.000 0.472 223 A N 1.029 123.713 122.820 -0.226 0.000 2.414 223 A HA 0.629 4.953 4.320 0.006 0.000 0.306 223 A C -1.083 176.372 177.584 -0.214 0.000 1.054 223 A CA -0.498 51.422 52.037 -0.195 0.000 0.724 223 A CB 2.253 21.134 19.000 -0.197 0.000 1.267 223 A HN 0.530 nan 8.150 nan 0.000 0.418 224 T N 0.767 115.050 114.554 -0.451 0.000 2.909 224 T HA 0.742 5.095 4.350 0.006 0.000 0.299 224 T C -1.712 172.466 174.700 -0.871 0.000 1.073 224 T CA -0.218 61.641 62.100 -0.403 0.000 0.999 224 T CB 0.411 69.178 68.868 -0.167 0.000 1.098 224 T HN 0.400 nan 8.240 nan 0.000 0.477 225 F N 3.376 123.278 119.950 -0.080 0.000 2.551 225 F HA 0.493 5.023 4.527 0.005 0.000 0.316 225 F C 0.240 175.935 175.800 -0.175 0.000 1.089 225 F CA -0.769 57.047 58.000 -0.306 0.000 0.915 225 F CB 1.625 40.445 39.000 -0.300 0.000 1.186 225 F HN 0.740 nan 8.300 nan 0.000 0.456 226 Y N -0.487 119.889 120.300 0.128 0.000 2.590 226 Y HA 0.841 5.395 4.550 0.005 0.000 0.263 226 Y C -0.051 175.906 175.900 0.095 0.000 1.069 226 Y CA -0.498 57.666 58.100 0.107 0.000 1.242 226 Y CB 0.044 38.564 38.460 0.101 0.000 1.357 226 Y HN 0.497 nan 8.280 nan 0.000 0.556 227 A N 1.292 124.178 122.820 0.111 0.000 2.566 227 A HA 0.803 5.126 4.320 0.006 0.000 0.292 227 A C -1.512 176.094 177.584 0.037 0.000 1.112 227 A CA -0.850 51.310 52.037 0.206 0.000 0.707 227 A CB 1.544 20.801 19.000 0.428 0.000 1.302 227 A HN 0.227 nan 8.150 nan 0.000 0.409 228 L N 0.042 121.301 121.223 0.060 0.000 2.298 228 L HA 0.823 5.166 4.340 0.006 0.000 0.268 228 L C 0.940 177.848 176.870 0.064 0.000 1.010 228 L CA -0.397 54.446 54.840 0.005 0.000 0.812 228 L CB 2.011 44.040 42.059 -0.049 0.000 1.331 228 L HN 0.972 nan 8.230 nan 0.000 0.450 229 G N -0.419 108.411 108.800 0.049 0.000 3.366 229 G HA2 0.278 4.242 3.960 0.006 0.000 0.179 229 G HA3 0.278 4.242 3.960 0.006 0.000 0.179 229 G C -0.689 174.251 174.900 0.067 0.000 1.143 229 G CA -0.586 44.563 45.100 0.081 0.000 0.810 229 G HN 0.190 nan 8.290 nan 0.000 0.697 230 L N 2.286 123.560 121.223 0.086 0.000 2.780 230 L HA 0.273 4.617 4.340 0.006 0.000 0.275 230 L C 1.521 178.433 176.870 0.071 0.000 1.153 230 L CA 2.246 57.139 54.840 0.089 0.000 0.993 230 L CB -0.369 41.771 42.059 0.135 0.000 1.319 230 L HN 1.162 nan 8.230 nan 0.000 0.479 231 G N 2.485 111.297 108.800 0.020 0.000 3.110 231 G HA2 -0.194 3.770 3.960 0.006 0.000 0.205 231 G HA3 -0.194 3.770 3.960 0.006 0.000 0.205 231 G C 1.052 175.883 174.900 -0.115 0.000 1.019 231 G CA 0.076 45.160 45.100 -0.026 0.000 0.826 231 G HN 0.456 nan 8.290 nan 0.000 0.481 232 L N 0.499 121.655 121.223 -0.112 0.000 1.997 232 L HA -0.065 4.278 4.340 0.006 0.000 0.227 232 L C 1.330 178.078 176.870 -0.203 0.000 1.087 232 L CA 1.931 56.661 54.840 -0.184 0.000 0.797 232 L CB -0.159 41.816 42.059 -0.141 0.000 0.902 232 L HN 0.270 nan 8.230 nan 0.000 0.441 233 E N -0.208 119.914 120.200 -0.130 0.000 2.044 233 E HA 0.121 4.474 4.350 0.006 0.000 0.282 233 E C 0.128 176.670 176.600 -0.097 0.000 1.031 233 E CA 0.329 56.657 56.400 -0.119 0.000 0.824 233 E CB 0.660 30.311 29.700 -0.083 0.000 1.076 233 E HN 0.169 nan 8.360 nan 0.000 0.395 234 E N 1.495 121.617 120.200 -0.129 0.000 1.306 234 E HA -0.121 4.232 4.350 0.006 0.000 0.217 234 E C 1.191 177.703 176.600 -0.146 0.000 1.057 234 E CA 0.974 57.314 56.400 -0.100 0.000 1.133 234 E CB -0.935 28.725 29.700 -0.066 0.000 4.662 234 E HN 0.434 nan 8.360 nan 0.000 0.697 235 S N 0.226 115.768 115.700 -0.263 0.000 2.402 235 S HA 0.066 4.539 4.470 0.006 0.000 0.229 235 S C 1.677 176.042 174.600 -0.391 0.000 1.021 235 S CA 1.955 59.877 58.200 -0.464 0.000 0.974 235 S CB 0.141 62.829 63.200 -0.853 0.000 0.800 235 S HN 0.649 nan 8.310 nan 0.000 0.484 236 G N 0.961 109.590 108.800 -0.285 0.000 2.148 236 G HA2 -0.226 3.738 3.960 0.006 0.000 0.254 236 G HA3 -0.226 3.738 3.960 0.006 0.000 0.254 236 G C -0.004 174.749 174.900 -0.245 0.000 0.981 236 G CA 0.325 45.296 45.100 -0.215 0.000 0.670 236 G HN 0.569 nan 8.290 nan 0.000 0.528 237 L N -0.327 120.690 121.223 -0.344 0.000 2.467 237 L HA 0.368 4.712 4.340 0.006 0.000 0.270 237 L C 1.701 178.419 176.870 -0.253 0.000 1.205 237 L CA 0.869 55.520 54.840 -0.316 0.000 0.828 237 L CB 0.730 42.549 42.059 -0.401 0.000 1.101 237 L HN 0.491 nan 8.230 nan 0.000 0.479 238 K N -0.416 119.864 120.400 -0.200 0.000 2.493 238 K HA 0.148 4.472 4.320 0.006 0.000 0.201 238 K C 0.600 177.089 176.600 -0.185 0.000 1.355 238 K CA -0.190 55.989 56.287 -0.181 0.000 0.953 238 K CB 0.715 33.149 32.500 -0.110 0.000 1.316 238 K HN 0.401 nan 8.250 nan 0.000 0.522 239 S N 0.606 116.235 115.700 -0.120 0.000 2.537 239 S HA 0.105 4.578 4.470 0.006 0.000 0.301 239 S C 0.631 175.199 174.600 -0.053 0.000 1.092 239 S CA -0.513 57.656 58.200 -0.053 0.000 1.048 239 S CB 2.076 65.310 63.200 0.057 0.000 1.053 239 S HN 0.301 nan 8.310 nan 0.000 0.501 240 Q N 3.558 123.356 119.800 -0.003 0.000 2.061 240 Q HA -0.176 4.167 4.340 0.006 0.000 0.204 240 Q C 1.525 177.565 176.000 0.066 0.000 0.984 240 Q CA 2.468 58.294 55.803 0.038 0.000 0.846 240 Q CB -0.932 27.946 28.738 0.232 0.000 0.902 240 Q HN 0.900 nan 8.270 nan 0.000 0.421 241 Y N 1.010 121.337 120.300 0.044 0.000 2.102 241 Y HA -0.284 4.270 4.550 0.006 0.000 0.280 241 Y C 2.010 177.941 175.900 0.051 0.000 1.178 241 Y CA 2.399 60.538 58.100 0.066 0.000 1.146 241 Y CB -0.042 38.502 38.460 0.141 0.000 0.968 241 Y HN 0.244 nan 8.280 nan 0.000 0.504 242 E N 0.119 120.444 120.200 0.208 0.000 2.110 242 E HA -0.239 4.115 4.350 0.006 0.000 0.193 242 E C 2.268 178.916 176.600 0.079 0.000 0.988 242 E CA 1.204 57.691 56.400 0.146 0.000 0.804 242 E CB -0.827 28.935 29.700 0.104 0.000 0.745 242 E HN 0.529 nan 8.360 nan 0.000 0.458 243 L N 0.909 122.141 121.223 0.013 0.000 1.963 243 L HA -0.248 4.095 4.340 0.006 0.000 0.220 243 L C 2.480 179.394 176.870 0.072 0.000 1.076 243 L CA 1.576 56.436 54.840 0.034 0.000 0.772 243 L CB -0.481 41.552 42.059 -0.042 0.000 0.892 243 L HN 0.092 nan 8.230 nan 0.000 0.435 244 L N -1.171 119.989 121.223 -0.105 0.000 2.129 244 L HA -0.291 4.052 4.340 0.006 0.000 0.212 244 L C 2.449 179.282 176.870 -0.062 0.000 1.087 244 L CA 1.302 56.020 54.840 -0.203 0.000 0.757 244 L CB -0.644 40.933 42.059 -0.804 0.000 0.896 244 L HN 0.369 nan 8.230 nan 0.000 0.434 245 L N -2.085 119.126 121.223 -0.020 0.000 2.131 245 L HA -0.170 4.173 4.340 0.006 0.000 0.206 245 L C 2.430 179.379 176.870 0.131 0.000 1.087 245 L CA 0.969 55.858 54.840 0.082 0.000 0.767 245 L CB -0.455 41.671 42.059 0.111 0.000 0.917 245 L HN 0.372 nan 8.230 nan 0.000 0.441 246 W N 1.028 122.325 121.300 -0.004 0.000 2.332 246 W HA -0.231 4.432 4.660 0.005 0.000 0.321 246 W C 2.307 178.848 176.519 0.037 0.000 1.219 246 W CA 1.550 58.900 57.345 0.007 0.000 1.277 246 W CB -0.437 29.011 29.460 -0.021 0.000 1.161 246 W HN -0.064 nan 8.180 nan 0.000 0.476 247 L N 0.716 122.031 121.223 0.153 0.000 2.089 247 L HA -0.332 4.011 4.340 0.006 0.000 0.213 247 L C 2.600 179.506 176.870 0.061 0.000 1.079 247 L CA 2.180 57.045 54.840 0.042 0.000 0.758 247 L CB -0.948 41.163 42.059 0.087 0.000 0.891 247 L HN 0.086 nan 8.230 nan 0.000 0.433 248 K N 0.332 120.761 120.400 0.049 0.000 2.007 248 K HA -0.238 4.085 4.320 0.006 0.000 0.206 248 K C 2.081 178.658 176.600 -0.038 0.000 1.047 248 K CA 1.572 57.890 56.287 0.052 0.000 0.937 248 K CB -0.115 32.432 32.500 0.079 0.000 0.718 248 K HN 0.227 nan 8.250 nan 0.000 0.438 249 E N 0.292 120.438 120.200 -0.090 0.000 2.209 249 E HA -0.211 4.142 4.350 0.006 0.000 0.196 249 E C 1.264 177.721 176.600 -0.238 0.000 0.993 249 E CA 1.082 57.399 56.400 -0.139 0.000 0.819 249 E CB 0.216 29.838 29.700 -0.130 0.000 0.745 249 E HN 0.121 nan 8.360 nan 0.000 0.477 250 K N -0.922 119.262 120.400 -0.361 0.000 2.432 250 K HA 0.008 4.331 4.320 0.006 0.000 0.196 250 K C 1.346 177.680 176.600 -0.443 0.000 1.038 250 K CA 0.943 56.960 56.287 -0.450 0.000 0.986 250 K CB 0.538 32.672 32.500 -0.609 0.000 0.782 250 K HN 0.357 nan 8.250 nan 0.000 0.485 251 G N 0.457 109.062 108.800 -0.325 0.000 2.192 251 G HA2 -0.198 3.766 3.960 0.006 0.000 0.193 251 G HA3 -0.198 3.766 3.960 0.006 0.000 0.193 251 G C -0.168 174.534 174.900 -0.330 0.000 0.999 251 G CA -0.617 44.283 45.100 -0.332 0.000 0.659 251 G HN 0.126 nan 8.290 nan 0.000 0.503 252 F N 2.824 122.695 119.950 -0.132 0.000 2.412 252 F HA 0.509 5.039 4.527 0.006 0.000 0.348 252 F C -1.383 174.475 175.800 0.097 0.000 1.102 252 F CA -2.176 55.811 58.000 -0.023 0.000 1.196 252 F CB 1.233 40.174 39.000 -0.099 0.000 1.144 252 F HN -0.125 nan 8.300 nan 0.000 0.541 253 P HA 0.174 nan 4.420 nan 0.000 0.293 253 P C -1.057 176.394 177.300 0.251 0.000 1.300 253 P CA -0.214 63.032 63.100 0.243 0.000 0.792 253 P CB 2.126 33.932 31.700 0.177 0.000 0.925 254 V N 4.248 124.295 119.914 0.221 0.000 2.357 254 V HA 0.200 4.324 4.120 0.006 0.000 0.281 254 V C 0.638 176.880 176.094 0.247 0.000 1.015 254 V CA -0.127 62.336 62.300 0.271 0.000 0.827 254 V CB 0.827 32.809 31.823 0.265 0.000 1.018 254 V HN 0.501 nan 8.190 nan 0.000 0.432 255 E N 4.216 124.573 120.200 0.262 0.000 2.372 255 E HA 0.140 4.494 4.350 0.006 0.000 0.201 255 E C 0.194 176.903 176.600 0.182 0.000 0.938 255 E CA -0.234 56.277 56.400 0.185 0.000 0.944 255 E CB 0.135 29.928 29.700 0.155 0.000 0.937 255 E HN 0.920 nan 8.360 nan 0.000 0.495 256 H N 1.252 120.313 119.070 -0.015 0.000 2.897 256 H HA 0.286 4.846 4.556 0.007 0.000 0.347 256 H C 0.354 175.840 175.328 0.263 0.000 1.068 256 H CA 0.172 56.245 56.048 0.041 0.000 1.426 256 H CB 0.254 29.982 29.762 -0.057 0.000 1.410 256 H HN -0.001 nan 8.280 nan 0.000 0.597 257 G N 2.048 110.989 108.800 0.235 0.000 2.476 257 G HA2 0.413 4.376 3.960 0.006 0.000 0.269 257 G HA3 0.413 4.376 3.960 0.006 0.000 0.269 257 G C -1.216 173.883 174.900 0.333 0.000 1.195 257 G CA -0.475 44.764 45.100 0.233 0.000 0.843 257 G HN 0.848 nan 8.290 nan 0.000 0.545 258 Y N -1.292 119.083 120.300 0.124 0.000 2.597 258 Y HA 0.762 5.316 4.550 0.006 0.000 0.340 258 Y C -0.575 175.468 175.900 0.238 0.000 1.097 258 Y CA -1.447 56.749 58.100 0.160 0.000 1.037 258 Y CB 1.488 39.957 38.460 0.015 0.000 1.305 258 Y HN 0.809 nan 8.280 nan 0.000 0.463 259 E N 0.646 121.097 120.200 0.418 0.000 2.401 259 E HA 0.415 4.769 4.350 0.006 0.000 0.280 259 E C -1.864 174.945 176.600 0.348 0.000 1.039 259 E CA -1.404 55.220 56.400 0.373 0.000 0.814 259 E CB 1.948 31.779 29.700 0.219 0.000 1.275 259 E HN 0.644 nan 8.360 nan 0.000 0.448 260 K N 0.275 120.840 120.400 0.275 0.000 2.168 260 K HA 0.690 5.014 4.320 0.006 0.000 0.258 260 K C -0.691 175.991 176.600 0.137 0.000 1.010 260 K CA -0.127 56.270 56.287 0.183 0.000 0.929 260 K CB 1.280 33.798 32.500 0.029 0.000 0.998 260 K HN 0.605 nan 8.250 nan 0.000 0.479 261 A N 1.538 124.454 122.820 0.159 0.000 2.582 261 A HA 0.391 4.715 4.320 0.006 0.000 0.297 261 A C -2.046 175.653 177.584 0.192 0.000 1.059 261 A CA -0.775 51.355 52.037 0.154 0.000 0.705 261 A CB 1.059 20.152 19.000 0.154 0.000 1.279 261 A HN 0.474 nan 8.150 nan 0.000 0.404 262 L N 2.087 123.393 121.223 0.139 0.000 2.282 262 L HA 0.758 5.101 4.340 0.006 0.000 0.288 262 L C 0.745 177.710 176.870 0.159 0.000 1.033 262 L CA 1.452 56.353 54.840 0.103 0.000 0.807 262 L CB 1.014 43.095 42.059 0.037 0.000 1.209 262 L HN 2.411 nan 8.230 nan 0.000 0.423 263 G N 3.423 112.333 108.800 0.183 0.000 3.087 263 G HA2 -0.007 3.956 3.960 0.006 0.000 0.680 263 G HA3 -0.007 3.956 3.960 0.006 0.000 0.680 263 G C 0.792 175.900 174.900 0.347 0.000 1.626 263 G CA 0.076 45.332 45.100 0.259 0.000 1.157 263 G HN 1.588 nan 8.290 nan 0.000 0.599 264 A N 1.159 124.180 122.820 0.333 0.000 1.882 264 A HA -0.231 4.092 4.320 0.006 0.000 0.220 264 A C 2.224 180.031 177.584 0.371 0.000 1.253 264 A CA 2.917 55.105 52.037 0.252 0.000 0.664 264 A CB -0.899 18.131 19.000 0.050 0.000 0.838 264 A HN 1.264 nan 8.150 nan 0.000 0.460 265 E N -0.761 119.670 120.200 0.385 0.000 2.095 265 E HA -0.202 4.152 4.350 0.006 0.000 0.212 265 E C 2.114 178.813 176.600 0.165 0.000 1.044 265 E CA 1.793 58.348 56.400 0.260 0.000 0.857 265 E CB -0.968 28.820 29.700 0.148 0.000 0.764 265 E HN 0.626 nan 8.360 nan 0.000 0.462 266 G N 0.364 109.257 108.800 0.155 0.000 2.446 266 G HA2 -0.280 3.684 3.960 0.006 0.000 0.217 266 G HA3 -0.280 3.684 3.960 0.006 0.000 0.217 266 G C 1.780 176.760 174.900 0.133 0.000 1.168 266 G CA 1.163 46.337 45.100 0.123 0.000 0.771 266 G HN 0.198 nan 8.290 nan 0.000 0.551 267 V N 1.229 121.256 119.914 0.188 0.000 2.252 267 V HA -0.237 3.886 4.120 0.006 0.000 0.249 267 V C 2.651 178.844 176.094 0.166 0.000 1.056 267 V CA 2.453 64.846 62.300 0.155 0.000 1.022 267 V CB -0.544 31.361 31.823 0.137 0.000 0.641 267 V HN 0.543 nan 8.190 nan 0.000 0.445 268 E N 0.063 120.405 120.200 0.237 0.000 2.393 268 E HA -0.260 4.093 4.350 0.006 0.000 0.201 268 E C 2.034 178.721 176.600 0.144 0.000 1.025 268 E CA 1.720 58.262 56.400 0.237 0.000 0.856 268 E CB -0.204 29.602 29.700 0.176 0.000 0.771 268 E HN 0.741 nan 8.360 nan 0.000 0.526 269 E N -0.924 119.330 120.200 0.090 0.000 2.042 269 E HA -0.090 4.264 4.350 0.006 0.000 0.189 269 E C 1.919 178.527 176.600 0.013 0.000 0.974 269 E CA 1.059 57.487 56.400 0.046 0.000 0.806 269 E CB 0.079 29.797 29.700 0.031 0.000 0.769 269 E HN 0.207 nan 8.360 nan 0.000 0.451 270 V N 1.231 121.107 119.914 -0.064 0.000 2.392 270 V HA -0.280 3.844 4.120 0.006 0.000 0.249 270 V C 2.187 178.039 176.094 -0.403 0.000 1.059 270 V CA 2.122 64.235 62.300 -0.312 0.000 1.051 270 V CB -0.894 30.638 31.823 -0.485 0.000 0.658 270 V HN 0.416 nan 8.190 nan 0.000 0.455 271 Y N 1.528 121.650 120.300 -0.297 0.000 2.040 271 Y HA -0.335 4.219 4.550 0.005 0.000 0.275 271 Y C 2.806 178.673 175.900 -0.056 0.000 1.171 271 Y CA 2.248 60.229 58.100 -0.198 0.000 1.123 271 Y CB -0.230 38.118 38.460 -0.187 0.000 0.963 271 Y HN 0.073 nan 8.280 nan 0.000 0.493 272 R N -0.290 120.260 120.500 0.084 0.000 2.090 272 R HA -0.122 4.222 4.340 0.006 0.000 0.228 272 R C 2.472 178.751 176.300 -0.035 0.000 1.110 272 R CA 1.295 57.376 56.100 -0.031 0.000 0.973 272 R CB -0.395 29.952 30.300 0.078 0.000 0.869 272 R HN 0.334 nan 8.270 nan 0.000 0.440 273 R N -0.052 120.475 120.500 0.046 0.000 2.193 273 R HA -0.128 4.216 4.340 0.006 0.000 0.229 273 R C 1.393 177.837 176.300 0.239 0.000 1.110 273 R CA 1.200 57.368 56.100 0.114 0.000 0.988 273 R CB -0.000 30.387 30.300 0.145 0.000 0.871 273 R HN 0.079 nan 8.270 nan 0.000 0.458 274 F N -0.199 119.675 119.950 -0.127 0.000 2.164 274 F HA -0.033 4.497 4.527 0.005 0.000 0.287 274 F C 1.841 177.473 175.800 -0.280 0.000 1.086 274 F CA 0.270 58.203 58.000 -0.112 0.000 1.249 274 F CB -1.104 37.845 39.000 -0.085 0.000 1.059 274 F HN -0.015 nan 8.300 nan 0.000 0.490 275 L N 0.725 121.707 121.223 -0.402 0.000 2.357 275 L HA -0.172 4.171 4.340 0.006 0.000 0.220 275 L C 1.916 178.412 176.870 -0.624 0.000 1.123 275 L CA 1.803 56.017 54.840 -1.042 0.000 0.782 275 L CB -1.175 40.267 42.059 -1.029 0.000 0.910 275 L HN 0.086 nan 8.230 nan 0.000 0.442 276 A N -1.761 120.859 122.820 -0.334 0.000 2.132 276 A HA 0.008 4.331 4.320 0.006 0.000 0.213 276 A C 1.888 179.336 177.584 -0.226 0.000 1.154 276 A CA 0.686 52.574 52.037 -0.249 0.000 0.753 276 A CB -0.185 18.730 19.000 -0.142 0.000 0.826 276 A HN 0.651 nan 8.150 nan 0.000 0.469 277 Q N -1.105 118.569 119.800 -0.210 0.000 2.179 277 Q HA 0.170 4.514 4.340 0.006 0.000 0.213 277 Q C 1.459 177.345 176.000 -0.189 0.000 0.833 277 Q CA -0.284 55.413 55.803 -0.177 0.000 0.990 277 Q CB 0.322 28.971 28.738 -0.147 0.000 1.132 277 Q HN 0.655 nan 8.270 nan 0.000 0.493 278 R N 0.627 120.959 120.500 -0.279 0.000 2.226 278 R HA -0.181 4.162 4.340 0.006 0.000 0.246 278 R C 0.350 176.682 176.300 0.054 0.000 1.161 278 R CA 1.536 57.522 56.100 -0.190 0.000 0.997 278 R CB 0.079 30.048 30.300 -0.551 0.000 0.870 278 R HN 0.460 nan 8.270 nan 0.000 0.465 279 H N -2.783 116.199 119.070 -0.147 0.000 2.750 279 H HA 0.301 4.861 4.556 0.006 0.000 0.252 279 H C 0.190 175.433 175.328 -0.142 0.000 1.176 279 H CA 0.019 55.989 56.048 -0.131 0.000 0.987 279 H CB 1.362 31.066 29.762 -0.097 0.000 1.810 279 H HN 0.240 nan 8.280 nan 0.000 0.630 280 A N 0.949 123.723 122.820 -0.078 0.000 2.431 280 A HA 0.263 4.586 4.320 0.006 0.000 0.239 280 A C 0.406 177.878 177.584 -0.186 0.000 1.230 280 A CA -0.188 51.782 52.037 -0.112 0.000 0.928 280 A CB 0.366 19.296 19.000 -0.117 0.000 1.006 280 A HN 0.162 nan 8.150 nan 0.000 0.520 281 L N 0.125 121.169 121.223 -0.298 0.000 2.375 281 L HA 0.330 4.674 4.340 0.006 0.000 0.268 281 L C -1.439 175.224 176.870 -0.345 0.000 1.058 281 L CA -1.829 52.719 54.840 -0.486 0.000 0.803 281 L CB 0.784 42.216 42.059 -1.044 0.000 1.212 281 L HN 0.032 nan 8.230 nan 0.000 0.451 282 P HA 0.013 nan 4.420 nan 0.000 0.252 282 P C -0.736 176.684 177.300 0.199 0.000 1.265 282 P CA 0.553 63.683 63.100 0.051 0.000 0.775 282 P CB -0.251 31.550 31.700 0.169 0.000 1.128 283 F N -2.444 117.509 119.950 0.006 0.000 2.665 283 F HA 0.517 5.048 4.527 0.006 0.000 0.308 283 F C -0.609 175.157 175.800 -0.057 0.000 1.112 283 F CA -2.047 55.956 58.000 0.005 0.000 0.972 283 F CB 0.878 39.847 39.000 -0.051 0.000 1.295 283 F HN -0.299 nan 8.300 nan 0.000 0.440 284 E N 1.999 122.255 120.200 0.094 0.000 2.366 284 E HA 0.524 4.878 4.350 0.006 0.000 0.266 284 E C -1.057 175.612 176.600 0.116 0.000 1.015 284 E CA -0.221 56.188 56.400 0.015 0.000 0.906 284 E CB 0.857 30.532 29.700 -0.042 0.000 0.979 284 E HN 0.984 nan 8.360 nan 0.000 0.443 285 A N 4.652 127.512 122.820 0.068 0.000 2.357 285 A HA 0.276 4.600 4.320 0.006 0.000 0.295 285 A C -0.818 176.803 177.584 0.060 0.000 1.121 285 A CA -0.775 51.325 52.037 0.105 0.000 0.742 285 A CB 1.333 20.421 19.000 0.147 0.000 1.181 285 A HN 0.794 nan 8.150 nan 0.000 0.454 286 D N 1.418 121.772 120.400 -0.077 0.000 2.395 286 D HA 0.449 5.093 4.640 0.006 0.000 0.226 286 D C 0.858 176.798 176.300 -0.600 0.000 1.146 286 D CA 1.560 55.478 54.000 -0.135 0.000 0.830 286 D CB 0.641 41.419 40.800 -0.037 0.000 0.958 286 D HN 0.961 nan 8.370 nan 0.000 0.501 287 G N -0.930 107.148 108.800 -1.204 0.000 2.404 287 G HA2 0.361 4.324 3.960 0.006 0.000 0.253 287 G HA3 0.361 4.324 3.960 0.006 0.000 0.253 287 G C -1.489 172.907 174.900 -0.840 0.000 1.253 287 G CA -0.134 44.119 45.100 -1.411 0.000 0.917 287 G HN 0.417 nan 8.290 nan 0.000 0.480 288 V N -3.287 116.387 119.914 -0.400 0.000 3.202 288 V HA 0.912 5.036 4.120 0.006 0.000 0.306 288 V C -1.076 174.958 176.094 -0.100 0.000 1.283 288 V CA -1.023 61.194 62.300 -0.139 0.000 1.065 288 V CB 1.565 33.353 31.823 -0.058 0.000 1.079 288 V HN 1.284 nan 8.190 nan 0.000 0.448 289 V N 1.587 121.465 119.914 -0.060 0.000 2.409 289 V HA 0.426 4.549 4.120 0.006 0.000 0.290 289 V C -0.151 175.887 176.094 -0.092 0.000 1.017 289 V CA -0.522 61.715 62.300 -0.106 0.000 0.841 289 V CB 1.553 33.300 31.823 -0.126 0.000 1.003 289 V HN 0.800 nan 8.190 nan 0.000 0.426 290 V N 5.349 125.151 119.914 -0.187 0.000 2.397 290 V HA 0.295 4.418 4.120 0.006 0.000 0.262 290 V C 0.310 176.292 176.094 -0.187 0.000 1.047 290 V CA -0.293 61.859 62.300 -0.247 0.000 1.003 290 V CB -0.025 31.509 31.823 -0.482 0.000 1.037 290 V HN 0.763 nan 8.190 nan 0.000 0.480 291 K N 4.734 125.161 120.400 0.044 0.000 2.358 291 K HA 0.490 4.813 4.320 0.006 0.000 0.260 291 K C -0.473 176.424 176.600 0.496 0.000 0.956 291 K CA -0.796 55.617 56.287 0.209 0.000 0.834 291 K CB 2.344 35.021 32.500 0.295 0.000 1.102 291 K HN 0.567 nan 8.250 nan 0.000 0.431 292 L N 3.206 124.762 121.223 0.554 0.000 2.578 292 L HA -0.099 4.244 4.340 0.006 0.000 0.279 292 L C 1.273 178.498 176.870 0.591 0.000 1.227 292 L CA 0.608 55.817 54.840 0.615 0.000 0.900 292 L CB 0.396 42.660 42.059 0.342 0.000 1.144 292 L HN 0.817 nan 8.230 nan 0.000 0.496 293 D N 2.264 122.901 120.400 0.394 0.000 2.323 293 D HA -0.107 4.537 4.640 0.006 0.000 0.209 293 D C 0.045 176.471 176.300 0.210 0.000 0.973 293 D CA 0.230 54.425 54.000 0.326 0.000 0.874 293 D CB 0.327 41.266 40.800 0.231 0.000 0.930 293 D HN 0.654 nan 8.370 nan 0.000 0.521 294 D N 0.513 121.030 120.400 0.195 0.000 2.422 294 D HA 0.025 4.669 4.640 0.006 0.000 0.227 294 D C 1.337 177.604 176.300 -0.055 0.000 1.190 294 D CA -0.472 53.560 54.000 0.054 0.000 0.905 294 D CB 0.533 41.362 40.800 0.048 0.000 1.034 294 D HN -0.121 nan 8.370 nan 0.000 0.507 295 L N 3.713 124.669 121.223 -0.445 0.000 2.127 295 L HA -0.107 4.237 4.340 0.006 0.000 0.211 295 L C 2.353 178.936 176.870 -0.479 0.000 1.089 295 L CA 1.649 55.869 54.840 -1.033 0.000 0.757 295 L CB -1.226 40.307 42.059 -0.875 0.000 0.899 295 L HN 0.599 nan 8.230 nan 0.000 0.434 296 A N -1.090 121.590 122.820 -0.232 0.000 1.933 296 A HA -0.175 4.149 4.320 0.006 0.000 0.218 296 A C 2.088 179.648 177.584 -0.039 0.000 1.175 296 A CA 1.389 53.355 52.037 -0.118 0.000 0.628 296 A CB -0.661 18.289 19.000 -0.083 0.000 0.814 296 A HN 0.321 nan 8.150 nan 0.000 0.444 297 L N -1.564 119.669 121.223 0.017 0.000 2.627 297 L HA 0.169 4.513 4.340 0.006 0.000 0.232 297 L C 1.184 178.117 176.870 0.104 0.000 1.150 297 L CA 0.267 55.135 54.840 0.047 0.000 0.917 297 L CB -0.521 41.550 42.059 0.021 0.000 1.104 297 L HN 0.524 nan 8.230 nan 0.000 0.445 298 W N -0.438 120.694 121.300 -0.280 0.000 2.481 298 W HA 0.039 4.702 4.660 0.005 0.000 0.293 298 W C 2.486 178.805 176.519 -0.334 0.000 1.201 298 W CA 0.443 57.475 57.345 -0.522 0.000 1.328 298 W CB -0.351 28.634 29.460 -0.793 0.000 1.112 298 W HN 0.079 nan 8.180 nan 0.000 0.546 299 R N 0.325 120.851 120.500 0.044 0.000 2.070 299 R HA -0.177 4.167 4.340 0.006 0.000 0.232 299 R C 1.928 178.251 176.300 0.038 0.000 1.138 299 R CA 2.004 58.135 56.100 0.051 0.000 0.936 299 R CB -0.581 29.744 30.300 0.041 0.000 0.839 299 R HN 0.034 nan 8.270 nan 0.000 0.429 300 E N 0.794 121.005 120.200 0.017 0.000 2.065 300 E HA -0.153 4.201 4.350 0.006 0.000 0.201 300 E C 0.231 176.831 176.600 -0.000 0.000 1.016 300 E CA 0.917 57.322 56.400 0.007 0.000 0.818 300 E CB -0.216 29.480 29.700 -0.007 0.000 0.749 300 E HN 0.180 nan 8.360 nan 0.000 0.453 301 L N 0.779 121.993 121.223 -0.015 0.000 2.410 301 L HA 0.202 4.546 4.340 0.006 0.000 0.273 301 L C 0.967 177.833 176.870 -0.007 0.000 1.144 301 L CA -0.207 54.617 54.840 -0.025 0.000 0.863 301 L CB 0.762 42.809 42.059 -0.020 0.000 1.140 301 L HN 0.109 nan 8.230 nan 0.000 0.463 302 G N 1.998 110.785 108.800 -0.022 0.000 2.606 302 G HA2 0.440 4.404 3.960 0.006 0.000 0.262 302 G HA3 0.440 4.404 3.960 0.006 0.000 0.262 302 G C -1.477 173.345 174.900 -0.129 0.000 1.394 302 G CA -0.338 44.772 45.100 0.016 0.000 1.044 302 G HN 0.345 nan 8.290 nan 0.000 0.553 303 Y N -0.731 119.506 120.300 -0.104 0.000 2.429 303 Y HA 0.481 5.035 4.550 0.007 0.000 0.342 303 Y C 1.232 177.044 175.900 -0.148 0.000 1.004 303 Y CA -0.540 57.396 58.100 -0.274 0.000 1.075 303 Y CB 1.988 40.078 38.460 -0.617 0.000 1.214 303 Y HN 0.744 nan 8.280 nan 0.000 0.455 304 T N -1.494 113.065 114.554 0.008 0.000 3.018 304 T HA 0.388 4.741 4.350 0.006 0.000 0.338 304 T C 1.652 176.416 174.700 0.108 0.000 1.208 304 T CA 0.118 62.241 62.100 0.039 0.000 0.963 304 T CB 0.113 68.985 68.868 0.007 0.000 1.697 304 T HN 0.709 nan 8.240 nan 0.000 0.560 305 A N 0.555 123.433 122.820 0.097 0.000 1.892 305 A HA -0.015 4.308 4.320 0.006 0.000 0.218 305 A C 2.148 179.854 177.584 0.204 0.000 1.188 305 A CA 1.498 53.609 52.037 0.122 0.000 0.631 305 A CB -0.633 18.413 19.000 0.077 0.000 0.822 305 A HN 0.779 nan 8.150 nan 0.000 0.447 306 R N -2.098 118.523 120.500 0.201 0.000 2.569 306 R HA 0.517 4.861 4.340 0.006 0.000 0.429 306 R C -0.871 175.606 176.300 0.294 0.000 0.994 306 R CA 0.522 56.802 56.100 0.300 0.000 1.089 306 R CB 1.046 31.440 30.300 0.156 0.000 1.420 306 R HN 0.494 nan 8.270 nan 0.000 0.615 307 A N 1.000 123.919 122.820 0.164 0.000 2.605 307 A HA 0.605 4.928 4.320 0.006 0.000 0.294 307 A C -2.992 174.458 177.584 -0.224 0.000 1.062 307 A CA -1.318 50.713 52.037 -0.010 0.000 0.682 307 A CB 1.759 20.734 19.000 -0.041 0.000 1.278 307 A HN -0.063 nan 8.150 nan 0.000 0.410 308 P HA 0.482 nan 4.420 nan 0.000 0.278 308 P C -0.231 176.626 177.300 -0.739 0.000 1.266 308 P CA -0.263 62.289 63.100 -0.913 0.000 0.807 308 P CB 1.330 32.172 31.700 -1.429 0.000 1.094 309 R N -0.618 119.406 120.500 -0.793 0.000 2.316 309 R HA 0.196 4.540 4.340 0.006 0.000 0.201 309 R C 1.774 177.881 176.300 -0.321 0.000 0.888 309 R CA 0.614 56.486 56.100 -0.379 0.000 1.041 309 R CB -0.294 29.862 30.300 -0.239 0.000 1.115 309 R HN 0.464 nan 8.270 nan 0.000 0.559 310 F N -0.797 118.938 119.950 -0.359 0.000 2.797 310 F HA 0.502 5.032 4.527 0.006 0.000 0.302 310 F C 0.433 176.117 175.800 -0.193 0.000 1.130 310 F CA -0.845 56.935 58.000 -0.368 0.000 1.387 310 F CB 0.157 38.678 39.000 -0.797 0.000 1.107 310 F HN -0.203 nan 8.300 nan 0.000 0.577 311 A N 0.671 123.112 122.820 -0.631 0.000 2.527 311 A HA 0.841 5.164 4.320 0.006 0.000 0.293 311 A C -1.839 175.386 177.584 -0.599 0.000 1.117 311 A CA -0.782 50.971 52.037 -0.473 0.000 0.723 311 A CB 1.829 20.473 19.000 -0.593 0.000 1.313 311 A HN 0.322 nan 8.150 nan 0.000 0.411 312 L N -0.408 120.415 121.223 -0.667 0.000 2.622 312 L HA 0.811 5.155 4.340 0.006 0.000 0.258 312 L C -0.870 175.709 176.870 -0.485 0.000 0.996 312 L CA 0.084 54.462 54.840 -0.770 0.000 0.858 312 L CB 1.961 43.122 42.059 -1.496 0.000 1.449 312 L HN 1.387 nan 8.230 nan 0.000 0.411 313 A N 2.712 125.306 122.820 -0.376 0.000 2.293 313 A HA 0.419 4.742 4.320 0.006 0.000 0.312 313 A C -1.561 175.909 177.584 -0.188 0.000 1.309 313 A CA -0.298 51.588 52.037 -0.251 0.000 0.839 313 A CB 0.012 18.882 19.000 -0.216 0.000 1.155 313 A HN 0.715 nan 8.150 nan 0.000 0.501 314 Y N 3.987 124.114 120.300 -0.288 0.000 2.477 314 Y HA 0.259 4.812 4.550 0.005 0.000 0.349 314 Y C 0.032 175.822 175.900 -0.184 0.000 0.977 314 Y CA -0.594 57.373 58.100 -0.221 0.000 1.214 314 Y CB 0.472 38.853 38.460 -0.131 0.000 1.124 314 Y HN 0.536 nan 8.280 nan 0.000 0.521 315 K N 5.833 126.180 120.400 -0.089 0.000 2.110 315 K HA 0.238 4.562 4.320 0.006 0.000 0.263 315 K C -0.772 175.789 176.600 -0.064 0.000 0.975 315 K CA -0.735 55.364 56.287 -0.313 0.000 0.895 315 K CB 1.353 33.518 32.500 -0.559 0.000 1.060 315 K HN 0.371 nan 8.250 nan 0.000 0.448 316 F N 2.716 122.614 119.950 -0.087 0.000 2.539 316 F HA 0.093 4.624 4.527 0.007 0.000 0.340 316 F C -1.320 174.505 175.800 0.043 0.000 1.185 316 F CA -2.300 55.671 58.000 -0.049 0.000 1.333 316 F CB -0.772 38.167 39.000 -0.102 0.000 1.152 316 F HN 0.357 nan 8.300 nan 0.000 0.602 317 P HA 0.190 nan 4.420 nan 0.000 0.271 317 P C -1.070 176.371 177.300 0.235 0.000 1.216 317 P CA -0.322 62.937 63.100 0.265 0.000 0.771 317 P CB 0.571 32.394 31.700 0.205 0.000 0.864 318 A N 3.113 126.084 122.820 0.252 0.000 2.444 318 A HA 0.100 4.424 4.320 0.006 0.000 0.273 318 A C 0.462 178.154 177.584 0.180 0.000 1.136 318 A CA -0.013 52.154 52.037 0.216 0.000 0.799 318 A CB -0.502 18.635 19.000 0.229 0.000 1.081 318 A HN 0.424 nan 8.150 nan 0.000 0.509 319 E N 2.339 122.643 120.200 0.173 0.000 1.924 319 E HA 0.294 4.648 4.350 0.006 0.000 0.261 319 E C -0.575 176.124 176.600 0.166 0.000 1.088 319 E CA 0.414 56.908 56.400 0.157 0.000 0.909 319 E CB -0.060 29.729 29.700 0.148 0.000 1.112 319 E HN 0.666 nan 8.360 nan 0.000 0.425 320 E N 2.194 122.487 120.200 0.155 0.000 2.275 320 E HA 0.460 4.814 4.350 0.006 0.000 0.270 320 E C -0.948 175.734 176.600 0.137 0.000 0.882 320 E CA -0.916 55.577 56.400 0.154 0.000 0.758 320 E CB 1.552 31.333 29.700 0.135 0.000 1.195 320 E HN -0.024 nan 8.360 nan 0.000 0.419 321 K N 1.568 122.052 120.400 0.141 0.000 2.523 321 K HA 0.278 4.602 4.320 0.006 0.000 0.257 321 K C -1.200 175.493 176.600 0.155 0.000 0.932 321 K CA -0.635 55.737 56.287 0.140 0.000 0.812 321 K CB 1.931 34.518 32.500 0.146 0.000 1.326 321 K HN 0.308 nan 8.250 nan 0.000 0.433 322 E N 0.827 121.131 120.200 0.174 0.000 2.313 322 E HA 0.518 4.872 4.350 0.006 0.000 0.272 322 E C -0.276 176.507 176.600 0.305 0.000 1.038 322 E CA -0.590 55.955 56.400 0.242 0.000 0.863 322 E CB 1.732 31.574 29.700 0.237 0.000 1.060 322 E HN 0.494 nan 8.360 nan 0.000 0.402 323 T N 0.394 115.145 114.554 0.328 0.000 2.677 323 T HA 0.293 4.647 4.350 0.006 0.000 0.305 323 T C -1.744 172.881 174.700 -0.125 0.000 1.569 323 T CA -0.827 61.349 62.100 0.127 0.000 0.984 323 T CB 1.456 70.345 68.868 0.036 0.000 1.629 323 T HN 0.477 nan 8.240 nan 0.000 0.494 324 R N 1.388 121.586 120.500 -0.503 0.000 2.604 324 R HA 0.722 5.065 4.340 0.006 0.000 0.287 324 R C -0.874 175.238 176.300 -0.313 0.000 0.970 324 R CA -0.821 54.893 56.100 -0.643 0.000 0.946 324 R CB 1.152 30.794 30.300 -1.097 0.000 1.127 324 R HN 0.639 nan 8.270 nan 0.000 0.473 325 L N 6.341 127.428 121.223 -0.226 0.000 2.260 325 L HA 0.210 4.554 4.340 0.006 0.000 0.289 325 L C 0.106 176.879 176.870 -0.161 0.000 1.057 325 L CA -0.285 54.468 54.840 -0.144 0.000 0.811 325 L CB 0.852 42.863 42.059 -0.081 0.000 1.184 325 L HN 0.858 nan 8.230 nan 0.000 0.429 326 L N 3.302 124.433 121.223 -0.153 0.000 2.187 326 L HA 0.238 4.582 4.340 0.006 0.000 0.197 326 L C 0.306 177.109 176.870 -0.113 0.000 1.090 326 L CA 0.494 55.251 54.840 -0.137 0.000 0.781 326 L CB -0.049 41.932 42.059 -0.130 0.000 0.956 326 L HN 0.607 nan 8.230 nan 0.000 0.463 327 D N -1.464 118.864 120.400 -0.121 0.000 2.531 327 D HA 0.452 5.096 4.640 0.006 0.000 0.244 327 D C -1.414 174.783 176.300 -0.172 0.000 1.090 327 D CA -0.408 53.516 54.000 -0.126 0.000 0.989 327 D CB 2.915 43.648 40.800 -0.112 0.000 1.433 327 D HN -0.197 nan 8.370 nan 0.000 0.492 328 V N 2.217 121.996 119.914 -0.225 0.000 2.577 328 V HA 0.726 4.849 4.120 0.006 0.000 0.303 328 V C -0.890 174.905 176.094 -0.498 0.000 1.042 328 V CA -0.438 61.645 62.300 -0.362 0.000 0.872 328 V CB 1.357 32.938 31.823 -0.404 0.000 0.998 328 V HN 0.530 nan 8.190 nan 0.000 0.423 329 V N 4.143 123.743 119.914 -0.524 0.000 2.994 329 V HA 0.782 4.906 4.120 0.006 0.000 0.318 329 V C -0.881 174.776 176.094 -0.728 0.000 1.085 329 V CA -0.734 61.272 62.300 -0.490 0.000 0.998 329 V CB 1.877 33.554 31.823 -0.242 0.000 1.063 329 V HN 0.705 nan 8.190 nan 0.000 0.447 330 F N 0.824 120.649 119.950 -0.208 0.000 2.492 330 F HA 0.776 5.306 4.527 0.005 0.000 0.327 330 F C 0.410 176.130 175.800 -0.133 0.000 1.079 330 F CA -0.382 57.479 58.000 -0.232 0.000 0.967 330 F CB 2.088 40.903 39.000 -0.308 0.000 1.169 330 F HN 0.605 nan 8.300 nan 0.000 0.472 331 Q N 0.492 120.357 119.800 0.109 0.000 2.528 331 Q HA 0.727 5.070 4.340 0.006 0.000 0.289 331 Q C -1.738 174.318 176.000 0.093 0.000 1.091 331 Q CA -1.259 54.583 55.803 0.064 0.000 0.797 331 Q CB 3.399 32.145 28.738 0.012 0.000 1.466 331 Q HN 0.486 nan 8.270 nan 0.000 0.436 332 V N 0.525 120.481 119.914 0.070 0.000 2.531 332 V HA 0.769 4.893 4.120 0.006 0.000 0.301 332 V C -0.199 175.932 176.094 0.061 0.000 1.034 332 V CA -0.188 62.159 62.300 0.078 0.000 0.865 332 V CB 1.255 33.120 31.823 0.071 0.000 0.995 332 V HN 0.829 nan 8.190 nan 0.000 0.424 333 G N 5.361 114.202 108.800 0.068 0.000 2.611 333 G HA2 0.281 4.244 3.960 0.006 0.000 0.273 333 G HA3 0.281 4.244 3.960 0.006 0.000 0.273 333 G C 0.500 175.436 174.900 0.060 0.000 1.305 333 G CA -0.124 45.010 45.100 0.057 0.000 1.010 333 G HN 1.029 nan 8.290 nan 0.000 0.509 334 R N -1.511 119.029 120.500 0.067 0.000 2.280 334 R HA 0.083 4.426 4.340 0.006 0.000 0.207 334 R C 1.824 178.174 176.300 0.083 0.000 1.043 334 R CA 1.356 57.514 56.100 0.097 0.000 1.006 334 R CB -0.578 29.808 30.300 0.144 0.000 0.885 334 R HN 0.434 nan 8.270 nan 0.000 0.467 335 T N -1.838 112.750 114.554 0.058 0.000 3.037 335 T HA 0.307 4.660 4.350 0.006 0.000 0.252 335 T C 1.278 175.993 174.700 0.026 0.000 1.073 335 T CA 0.856 62.974 62.100 0.031 0.000 1.091 335 T CB 0.065 68.946 68.868 0.023 0.000 0.935 335 T HN 0.515 nan 8.240 nan 0.000 0.488 336 G N 1.271 110.095 108.800 0.041 0.000 2.428 336 G HA2 -0.167 3.796 3.960 0.006 0.000 0.199 336 G HA3 -0.167 3.796 3.960 0.006 0.000 0.199 336 G C 0.275 175.211 174.900 0.061 0.000 1.005 336 G CA -0.034 45.089 45.100 0.039 0.000 0.671 336 G HN 0.633 nan 8.290 nan 0.000 0.485 337 R N 1.368 121.910 120.500 0.069 0.000 2.488 337 R HA 0.312 4.655 4.340 0.006 0.000 0.317 337 R C 0.141 176.536 176.300 0.157 0.000 0.941 337 R CA 0.183 56.348 56.100 0.107 0.000 1.076 337 R CB 0.173 30.532 30.300 0.099 0.000 0.917 337 R HN 0.090 nan 8.270 nan 0.000 0.407 338 V N 6.110 126.160 119.914 0.228 0.000 2.370 338 V HA 0.026 4.150 4.120 0.006 0.000 0.257 338 V C 0.481 176.813 176.094 0.396 0.000 1.064 338 V CA 0.054 62.517 62.300 0.272 0.000 0.975 338 V CB 0.801 32.793 31.823 0.282 0.000 1.067 338 V HN 0.815 nan 8.190 nan 0.000 0.485 339 T N 9.148 123.860 114.554 0.263 0.000 2.898 339 T HA 0.280 4.634 4.350 0.006 0.000 0.301 339 T C -2.244 172.570 174.700 0.191 0.000 1.049 339 T CA -0.495 61.746 62.100 0.235 0.000 1.095 339 T CB 1.290 70.223 68.868 0.108 0.000 0.976 339 T HN 0.515 nan 8.240 nan 0.000 0.539 340 P HA 0.549 nan 4.420 nan 0.000 0.301 340 P C -1.516 175.624 177.300 -0.267 0.000 1.337 340 P CA -0.655 62.313 63.100 -0.220 0.000 0.889 340 P CB 1.443 33.064 31.700 -0.132 0.000 1.050 341 V N 2.810 122.478 119.914 -0.410 0.000 2.482 341 V HA 0.513 4.637 4.120 0.006 0.000 0.295 341 V C 0.694 176.602 176.094 -0.310 0.000 1.026 341 V CA -0.542 61.580 62.300 -0.297 0.000 0.856 341 V CB 1.854 33.535 31.823 -0.236 0.000 1.001 341 V HN 0.771 nan 8.190 nan 0.000 0.424 342 G N 3.339 112.000 108.800 -0.232 0.000 2.353 342 G HA2 0.492 4.455 3.960 0.006 0.000 0.284 342 G HA3 0.492 4.455 3.960 0.006 0.000 0.284 342 G C -0.549 174.251 174.900 -0.168 0.000 1.172 342 G CA -0.278 44.705 45.100 -0.195 0.000 0.854 342 G HN 0.552 nan 8.290 nan 0.000 0.485 343 V N 4.732 124.547 119.914 -0.165 0.000 2.304 343 V HA 0.231 4.354 4.120 0.006 0.000 0.269 343 V C 0.576 176.593 176.094 -0.127 0.000 1.036 343 V CA -0.350 61.866 62.300 -0.140 0.000 0.840 343 V CB 0.140 31.881 31.823 -0.136 0.000 1.036 343 V HN 0.517 nan 8.190 nan 0.000 0.466 344 L N 2.361 123.515 121.223 -0.116 0.000 2.479 344 L HA 0.540 4.884 4.340 0.006 0.000 0.249 344 L C 0.537 177.338 176.870 -0.114 0.000 1.178 344 L CA -0.747 54.025 54.840 -0.114 0.000 0.811 344 L CB 0.536 42.541 42.059 -0.090 0.000 1.187 344 L HN 0.448 nan 8.230 nan 0.000 0.480 345 E N 1.419 121.543 120.200 -0.127 0.000 2.290 345 E HA 0.171 4.525 4.350 0.006 0.000 0.277 345 E C -2.372 174.188 176.600 -0.066 0.000 1.035 345 E CA -1.809 54.525 56.400 -0.109 0.000 0.873 345 E CB 0.684 30.292 29.700 -0.154 0.000 1.029 345 E HN 0.130 nan 8.360 nan 0.000 0.419 346 P HA -0.135 nan 4.420 nan 0.000 0.255 346 P C -1.047 176.258 177.300 0.008 0.000 1.161 346 P CA 0.404 63.475 63.100 -0.049 0.000 0.768 346 P CB 0.494 32.188 31.700 -0.010 0.000 0.746 347 V N 5.109 124.985 119.914 -0.063 0.000 3.156 347 V HA 0.633 4.757 4.120 0.006 0.000 0.311 347 V C -1.297 174.733 176.094 -0.105 0.000 1.208 347 V CA -0.797 61.545 62.300 0.070 0.000 1.063 347 V CB 1.855 33.723 31.823 0.074 0.000 1.098 347 V HN 0.150 nan 8.190 nan 0.000 0.452 348 F N 2.298 122.268 119.950 0.033 0.000 2.529 348 F HA 0.710 5.240 4.527 0.006 0.000 0.320 348 F C -0.126 175.699 175.800 0.041 0.000 1.118 348 F CA -0.523 57.496 58.000 0.031 0.000 0.915 348 F CB 1.776 40.793 39.000 0.028 0.000 1.161 348 F HN 0.120 nan 8.300 nan 0.000 0.445 349 I N 2.843 123.492 120.570 0.132 0.000 2.540 349 I HA 0.220 4.393 4.170 0.006 0.000 0.280 349 I C -0.723 175.457 176.117 0.105 0.000 1.083 349 I CA -0.485 60.882 61.300 0.112 0.000 1.080 349 I CB 1.468 39.505 38.000 0.063 0.000 1.205 349 I HN 0.673 nan 8.210 nan 0.000 0.459 350 E N 4.184 124.459 120.200 0.126 0.000 2.340 350 E HA -0.250 4.103 4.350 0.006 0.000 0.240 350 E C 1.165 177.831 176.600 0.110 0.000 1.154 350 E CA 0.589 57.047 56.400 0.097 0.000 0.717 350 E CB -1.042 28.708 29.700 0.083 0.000 1.250 350 E HN 1.210 nan 8.360 nan 0.000 0.386 351 G N -0.109 108.806 108.800 0.191 0.000 2.562 351 G HA2 -0.464 3.499 3.960 0.006 0.000 0.241 351 G HA3 -0.464 3.499 3.960 0.006 0.000 0.241 351 G C 0.411 175.448 174.900 0.228 0.000 1.120 351 G CA 0.702 45.947 45.100 0.243 0.000 0.673 351 G HN 1.113 nan 8.290 nan 0.000 0.519 352 S N 0.989 116.733 115.700 0.074 0.000 2.498 352 S HA 0.444 4.917 4.470 0.006 0.000 0.281 352 S C 0.167 174.610 174.600 -0.261 0.000 1.265 352 S CA 0.435 58.605 58.200 -0.050 0.000 1.071 352 S CB 1.679 64.854 63.200 -0.041 0.000 0.894 352 S HN 0.681 nan 8.310 nan 0.000 0.491 353 E N 3.643 123.555 120.200 -0.481 0.000 2.104 353 E HA 0.216 4.570 4.350 0.006 0.000 0.278 353 E C -0.933 175.382 176.600 -0.475 0.000 1.127 353 E CA -0.610 55.225 56.400 -0.942 0.000 0.897 353 E CB 0.516 29.656 29.700 -0.933 0.000 1.043 353 E HN 0.576 nan 8.360 nan 0.000 0.410 354 V N 4.705 124.386 119.914 -0.388 0.000 2.461 354 V HA 0.066 4.189 4.120 0.006 0.000 0.275 354 V C 1.016 176.999 176.094 -0.185 0.000 1.047 354 V CA 0.484 62.655 62.300 -0.216 0.000 0.955 354 V CB 1.128 32.868 31.823 -0.137 0.000 0.988 354 V HN 0.834 nan 8.190 nan 0.000 0.471 355 S N 3.622 119.232 115.700 -0.149 0.000 2.648 355 S HA 0.337 4.810 4.470 0.006 0.000 0.270 355 S C 0.495 175.027 174.600 -0.113 0.000 1.080 355 S CA -0.507 57.618 58.200 -0.124 0.000 1.159 355 S CB 0.491 63.620 63.200 -0.119 0.000 1.091 355 S HN 0.581 nan 8.310 nan 0.000 0.605 356 R N 0.854 121.285 120.500 -0.115 0.000 2.483 356 R HA 0.727 5.071 4.340 0.006 0.000 0.303 356 R C -2.053 174.174 176.300 -0.122 0.000 0.987 356 R CA -0.294 55.735 56.100 -0.119 0.000 0.881 356 R CB 2.356 32.587 30.300 -0.115 0.000 1.177 356 R HN 0.206 nan 8.270 nan 0.000 0.451 357 V N 2.166 122.002 119.914 -0.129 0.000 2.735 357 V HA 0.306 4.430 4.120 0.006 0.000 0.310 357 V C -0.089 175.898 176.094 -0.178 0.000 1.061 357 V CA -0.462 61.755 62.300 -0.137 0.000 0.913 357 V CB 2.416 34.176 31.823 -0.104 0.000 1.005 357 V HN 0.782 nan 8.190 nan 0.000 0.428 358 T N 6.403 120.822 114.554 -0.225 0.000 2.888 358 T HA 0.346 4.699 4.350 0.006 0.000 0.301 358 T C 0.437 174.921 174.700 -0.360 0.000 1.001 358 T CA 0.186 62.105 62.100 -0.301 0.000 1.147 358 T CB -0.093 68.538 68.868 -0.396 0.000 0.931 358 T HN 0.503 nan 8.240 nan 0.000 0.541 359 L N 3.916 124.975 121.223 -0.272 0.000 2.788 359 L HA 0.397 4.741 4.340 0.006 0.000 0.151 359 L C 1.692 178.340 176.870 -0.370 0.000 1.548 359 L CA -0.685 54.038 54.840 -0.195 0.000 2.184 359 L CB 0.075 42.096 42.059 -0.063 0.000 2.730 359 L HN 0.725 nan 8.230 nan 0.000 0.588 360 H N -1.633 117.415 119.070 -0.037 0.000 5.026 360 H HA 0.234 4.794 4.556 0.007 0.000 0.093 360 H C -0.731 174.674 175.328 0.128 0.000 1.280 360 H CA -0.004 56.030 56.048 -0.023 0.000 0.638 360 H CB 0.287 29.997 29.762 -0.088 0.000 1.496 360 H HN 0.530 nan 8.280 nan 0.000 0.131 361 N N 0.731 119.659 118.700 0.379 0.000 2.761 361 N HA 0.043 4.786 4.740 0.006 0.000 0.283 361 N C 0.701 176.451 175.510 0.399 0.000 1.377 361 N CA -0.454 52.811 53.050 0.358 0.000 0.791 361 N CB 0.728 39.343 38.487 0.214 0.000 1.540 361 N HN 0.159 nan 8.380 nan 0.000 0.539 362 E N -0.307 120.036 120.200 0.238 0.000 2.204 362 E HA -0.116 4.237 4.350 0.006 0.000 0.195 362 E C 0.806 177.470 176.600 0.106 0.000 0.990 362 E CA 1.121 57.560 56.400 0.064 0.000 0.821 362 E CB -0.491 28.945 29.700 -0.441 0.000 0.750 362 E HN 0.505 nan 8.360 nan 0.000 0.477 363 S N 0.826 116.588 115.700 0.103 0.000 2.335 363 S HA -0.147 4.326 4.470 0.006 0.000 0.216 363 S C 1.738 176.412 174.600 0.123 0.000 1.032 363 S CA 1.061 59.307 58.200 0.077 0.000 1.000 363 S CB -0.685 62.542 63.200 0.046 0.000 0.928 363 S HN 0.345 nan 8.310 nan 0.000 0.434 364 Y N 2.120 122.467 120.300 0.077 0.000 2.069 364 Y HA -0.248 4.306 4.550 0.007 0.000 0.278 364 Y C 2.083 178.057 175.900 0.124 0.000 1.175 364 Y CA 1.670 59.828 58.100 0.096 0.000 1.134 364 Y CB -0.441 38.123 38.460 0.173 0.000 0.965 364 Y HN 0.196 nan 8.280 nan 0.000 0.498 365 I N -0.227 120.564 120.570 0.368 0.000 2.264 365 I HA -0.322 3.851 4.170 0.006 0.000 0.248 365 I C 2.170 178.376 176.117 0.149 0.000 1.111 365 I CA 1.751 63.218 61.300 0.278 0.000 1.382 365 I CB -0.407 37.791 38.000 0.331 0.000 1.060 365 I HN 0.397 nan 8.210 nan 0.000 0.418 366 E N 0.382 120.650 120.200 0.113 0.000 2.028 366 E HA -0.223 4.131 4.350 0.006 0.000 0.190 366 E C 2.036 178.639 176.600 0.006 0.000 0.984 366 E CA 0.890 57.324 56.400 0.057 0.000 0.800 366 E CB 0.008 29.733 29.700 0.041 0.000 0.758 366 E HN 0.292 nan 8.360 nan 0.000 0.448 367 E N 0.774 120.950 120.200 -0.038 0.000 2.033 367 E HA -0.172 4.181 4.350 0.006 0.000 0.199 367 E C 1.681 178.220 176.600 -0.101 0.000 1.011 367 E CA 1.039 57.385 56.400 -0.090 0.000 0.815 367 E CB -0.038 29.562 29.700 -0.167 0.000 0.755 367 E HN 0.094 nan 8.360 nan 0.000 0.451 368 L N 0.991 122.119 121.223 -0.158 0.000 2.610 368 L HA -0.032 4.311 4.340 0.006 0.000 0.232 368 L C 0.241 177.103 176.870 -0.012 0.000 1.149 368 L CA 0.712 55.487 54.840 -0.109 0.000 0.872 368 L CB -1.300 40.665 42.059 -0.156 0.000 0.992 368 L HN 0.352 nan 8.230 nan 0.000 0.447 369 D N 1.588 121.993 120.400 0.009 0.000 2.890 369 D HA -0.263 4.381 4.640 0.006 0.000 0.226 369 D C 0.037 176.373 176.300 0.060 0.000 1.207 369 D CA 0.486 54.510 54.000 0.039 0.000 0.764 369 D CB -0.978 39.840 40.800 0.031 0.000 0.948 369 D HN 0.296 nan 8.370 nan 0.000 0.404 370 I N 2.909 123.529 120.570 0.084 0.000 2.276 370 I HA 0.216 4.389 4.170 0.006 0.000 0.290 370 I C 1.463 177.630 176.117 0.084 0.000 1.109 370 I CA -0.623 60.734 61.300 0.096 0.000 1.229 370 I CB 0.425 38.508 38.000 0.137 0.000 1.452 370 I HN 0.011 nan 8.210 nan 0.000 0.497 371 R N 3.671 124.211 120.500 0.067 0.000 2.611 371 R HA 0.464 4.808 4.340 0.006 0.000 0.243 371 R C 1.111 177.429 176.300 0.031 0.000 1.260 371 R CA -0.216 55.917 56.100 0.055 0.000 1.095 371 R CB 0.736 31.068 30.300 0.053 0.000 1.259 371 R HN 0.427 nan 8.270 nan 0.000 0.575 372 I N -0.511 120.068 120.570 0.015 0.000 2.883 372 I HA -0.001 4.172 4.170 0.006 0.000 0.230 372 I C 2.203 178.300 176.117 -0.032 0.000 1.052 372 I CA 1.101 62.391 61.300 -0.018 0.000 1.434 372 I CB -0.835 37.150 38.000 -0.025 0.000 1.269 372 I HN 0.846 nan 8.210 nan 0.000 0.436 373 G N 0.788 109.574 108.800 -0.024 0.000 2.657 373 G HA2 -0.243 3.721 3.960 0.006 0.000 0.224 373 G HA3 -0.243 3.721 3.960 0.006 0.000 0.224 373 G C 0.438 175.313 174.900 -0.042 0.000 1.086 373 G CA 0.609 45.687 45.100 -0.037 0.000 0.730 373 G HN 0.348 nan 8.290 nan 0.000 0.602 374 D N -0.504 119.901 120.400 0.009 0.000 2.548 374 D HA 0.035 4.678 4.640 0.006 0.000 0.231 374 D C -0.070 176.249 176.300 0.032 0.000 1.142 374 D CA 0.222 54.263 54.000 0.069 0.000 0.866 374 D CB 0.369 41.215 40.800 0.076 0.000 1.190 374 D HN 0.279 nan 8.370 nan 0.000 0.469 375 W N 1.321 122.636 121.300 0.026 0.000 2.365 375 W HA 0.417 5.080 4.660 0.005 0.000 0.316 375 W C -0.138 176.402 176.519 0.036 0.000 1.164 375 W CA -0.535 56.827 57.345 0.028 0.000 1.204 375 W CB 1.030 30.506 29.460 0.027 0.000 1.213 375 W HN 0.082 nan 8.180 nan 0.000 0.539 376 V N 2.575 122.635 119.914 0.245 0.000 2.876 376 V HA 0.592 4.715 4.120 0.006 0.000 0.312 376 V C -1.287 174.918 176.094 0.186 0.000 1.085 376 V CA -1.480 60.929 62.300 0.182 0.000 0.945 376 V CB 1.545 33.439 31.823 0.119 0.000 1.017 376 V HN 0.345 nan 8.190 nan 0.000 0.428 377 L N 4.457 125.777 121.223 0.161 0.000 2.261 377 L HA 0.673 5.016 4.340 0.006 0.000 0.289 377 L C -0.162 176.804 176.870 0.160 0.000 1.059 377 L CA 0.061 54.990 54.840 0.148 0.000 0.816 377 L CB 1.086 43.213 42.059 0.113 0.000 1.191 377 L HN 0.825 nan 8.230 nan 0.000 0.431 378 V N 6.728 126.741 119.914 0.165 0.000 2.472 378 V HA 0.592 4.716 4.120 0.006 0.000 0.290 378 V C -0.292 175.945 176.094 0.237 0.000 1.037 378 V CA -0.201 62.212 62.300 0.188 0.000 0.908 378 V CB 1.047 32.938 31.823 0.114 0.000 0.985 378 V HN 1.020 nan 8.190 nan 0.000 0.454 379 H N 4.954 124.076 119.070 0.085 0.000 3.471 379 H HA 0.622 5.181 4.556 0.007 0.000 0.318 379 H C -1.437 173.929 175.328 0.064 0.000 1.676 379 H CA -1.340 54.757 56.048 0.081 0.000 1.293 379 H CB 1.583 31.402 29.762 0.095 0.000 1.738 379 H HN 0.521 nan 8.280 nan 0.000 0.690 380 K N 0.634 120.801 120.400 -0.388 0.000 2.507 380 K HA 0.557 4.880 4.320 0.006 0.000 0.253 380 K C -0.918 175.374 176.600 -0.513 0.000 0.969 380 K CA -0.768 55.278 56.287 -0.403 0.000 0.908 380 K CB 1.952 34.354 32.500 -0.164 0.000 1.127 380 K HN 0.697 nan 8.250 nan 0.000 0.437 381 A N 1.776 124.292 122.820 -0.505 0.000 2.484 381 A HA 0.415 4.739 4.320 0.006 0.000 0.268 381 A C 1.232 178.768 177.584 -0.081 0.000 1.114 381 A CA 0.934 52.898 52.037 -0.123 0.000 0.780 381 A CB -0.534 18.577 19.000 0.185 0.000 1.061 381 A HN 1.001 nan 8.150 nan 0.000 0.505 382 G N 1.736 110.391 108.800 -0.243 0.000 2.184 382 G HA2 0.113 4.077 3.960 0.006 0.000 0.264 382 G HA3 0.113 4.077 3.960 0.006 0.000 0.264 382 G C 1.585 176.356 174.900 -0.215 0.000 0.975 382 G CA 0.855 45.745 45.100 -0.349 0.000 0.642 382 G HN 2.772 nan 8.290 nan 0.000 0.536 383 G N -2.137 106.548 108.800 -0.192 0.000 2.246 383 G HA2 0.056 4.020 3.960 0.006 0.000 0.273 383 G HA3 0.056 4.020 3.960 0.006 0.000 0.273 383 G C 1.130 175.786 174.900 -0.407 0.000 1.055 383 G CA 1.680 46.626 45.100 -0.256 0.000 0.851 383 G HN 2.227 nan 8.290 nan 0.000 0.500 384 V N -1.694 118.075 119.914 -0.241 0.000 3.119 384 V HA 0.492 4.615 4.120 0.006 0.000 0.245 384 V C 0.463 176.491 176.094 -0.110 0.000 1.598 384 V CA 0.897 63.082 62.300 -0.192 0.000 1.116 384 V CB 0.330 32.075 31.823 -0.132 0.000 0.981 384 V HN 0.390 nan 8.190 nan 0.000 0.430 385 I N 4.899 125.419 120.570 -0.083 0.000 2.420 385 I HA 0.426 4.599 4.170 0.006 0.000 0.282 385 I C -2.484 173.563 176.117 -0.117 0.000 1.019 385 I CA -1.993 59.265 61.300 -0.070 0.000 1.130 385 I CB 2.154 40.150 38.000 -0.008 0.000 1.262 385 I HN 0.211 nan 8.210 nan 0.000 0.454 386 P HA 0.071 nan 4.420 nan 0.000 0.266 386 P C -1.058 176.179 177.300 -0.105 0.000 1.195 386 P CA 0.270 63.298 63.100 -0.121 0.000 0.768 386 P CB 0.732 32.379 31.700 -0.088 0.000 0.838 387 E N 0.350 120.520 120.200 -0.050 0.000 2.400 387 E HA 0.250 4.603 4.350 0.006 0.000 0.285 387 E C -1.208 175.504 176.600 0.188 0.000 1.005 387 E CA -1.223 55.185 56.400 0.012 0.000 0.816 387 E CB 1.177 30.887 29.700 0.016 0.000 1.220 387 E HN 0.136 nan 8.360 nan 0.000 0.426 388 V N 5.385 125.404 119.914 0.175 0.000 2.416 388 V HA -0.059 4.064 4.120 0.006 0.000 0.267 388 V C 1.006 177.314 176.094 0.357 0.000 1.007 388 V CA -0.116 62.330 62.300 0.244 0.000 1.102 388 V CB 0.110 32.057 31.823 0.206 0.000 1.035 388 V HN 0.857 nan 8.190 nan 0.000 0.473 389 L N 6.892 128.305 121.223 0.317 0.000 2.083 389 L HA 0.078 4.422 4.340 0.006 0.000 0.209 389 L C 1.064 178.004 176.870 0.117 0.000 1.083 389 L CA 2.284 57.222 54.840 0.164 0.000 0.752 389 L CB -0.464 41.543 42.059 -0.087 0.000 0.899 389 L HN 1.025 nan 8.230 nan 0.000 0.433 390 R N -2.526 118.047 120.500 0.123 0.000 2.824 390 R HA 0.343 4.686 4.340 0.006 0.000 0.267 390 R C -1.578 174.783 176.300 0.102 0.000 1.035 390 R CA -0.697 55.455 56.100 0.087 0.000 0.887 390 R CB 0.897 31.223 30.300 0.044 0.000 1.262 390 R HN -0.213 nan 8.270 nan 0.000 0.487 391 V N 2.434 122.402 119.914 0.090 0.000 2.567 391 V HA 0.411 4.534 4.120 0.006 0.000 0.289 391 V C -0.602 175.551 176.094 0.098 0.000 1.049 391 V CA -0.905 61.458 62.300 0.106 0.000 0.969 391 V CB 1.275 33.155 31.823 0.096 0.000 0.995 391 V HN 0.635 nan 8.190 nan 0.000 0.471 392 L N 7.762 129.063 121.223 0.130 0.000 2.399 392 L HA 0.343 4.686 4.340 0.006 0.000 0.257 392 L C 1.444 178.369 176.870 0.091 0.000 1.236 392 L CA 0.569 55.468 54.840 0.099 0.000 1.144 392 L CB -0.367 41.757 42.059 0.108 0.000 1.379 392 L HN 0.726 nan 8.230 nan 0.000 0.414 393 K N 0.973 121.414 120.400 0.068 0.000 2.015 393 K HA -0.258 4.065 4.320 0.006 0.000 0.220 393 K C 1.792 178.421 176.600 0.048 0.000 1.055 393 K CA 2.035 58.358 56.287 0.060 0.000 0.951 393 K CB -0.090 32.436 32.500 0.042 0.000 0.725 393 K HN 0.604 nan 8.250 nan 0.000 0.449 394 E N 1.592 121.808 120.200 0.027 0.000 2.187 394 E HA -0.282 4.072 4.350 0.006 0.000 0.199 394 E C 1.675 178.281 176.600 0.010 0.000 1.004 394 E CA 1.508 57.915 56.400 0.013 0.000 0.813 394 E CB -0.377 29.321 29.700 -0.003 0.000 0.736 394 E HN 0.265 nan 8.360 nan 0.000 0.468 395 R N 0.803 121.306 120.500 0.006 0.000 2.328 395 R HA 0.081 4.425 4.340 0.006 0.000 0.200 395 R C 0.356 176.703 176.300 0.079 0.000 0.983 395 R CA -0.158 55.937 56.100 -0.009 0.000 1.062 395 R CB -0.042 30.186 30.300 -0.120 0.000 0.956 395 R HN 0.049 nan 8.270 nan 0.000 0.479 396 R N 0.160 120.712 120.500 0.086 0.000 2.404 396 R HA -0.054 4.289 4.340 0.006 0.000 0.315 396 R C 1.098 177.448 176.300 0.082 0.000 1.032 396 R CA 0.175 56.336 56.100 0.102 0.000 0.992 396 R CB 0.820 31.167 30.300 0.078 0.000 0.959 396 R HN -0.051 nan 8.270 nan 0.000 0.428 397 T N 2.028 116.641 114.554 0.099 0.000 3.155 397 T HA -0.024 4.330 4.350 0.006 0.000 0.264 397 T C 1.437 176.171 174.700 0.056 0.000 1.160 397 T CA 1.247 63.393 62.100 0.076 0.000 1.075 397 T CB -0.164 68.755 68.868 0.086 0.000 0.921 397 T HN 0.913 nan 8.240 nan 0.000 0.533 398 G N 1.054 109.888 108.800 0.056 0.000 2.189 398 G HA2 -0.285 3.678 3.960 0.006 0.000 0.267 398 G HA3 -0.285 3.678 3.960 0.006 0.000 0.267 398 G C 0.421 175.345 174.900 0.040 0.000 0.975 398 G CA 0.661 45.787 45.100 0.044 0.000 0.644 398 G HN 0.621 nan 8.290 nan 0.000 0.537 399 E N 0.134 120.360 120.200 0.043 0.000 2.548 399 E HA 0.266 4.620 4.350 0.006 0.000 0.206 399 E C 0.278 176.898 176.600 0.033 0.000 1.005 399 E CA -0.161 56.261 56.400 0.036 0.000 0.951 399 E CB 0.250 29.970 29.700 0.033 0.000 1.035 399 E HN 0.610 nan 8.360 nan 0.000 0.470 400 E N 0.805 121.029 120.200 0.039 0.000 2.398 400 E HA 0.125 4.479 4.350 0.006 0.000 0.263 400 E C -0.447 176.172 176.600 0.032 0.000 1.046 400 E CA 0.324 56.744 56.400 0.033 0.000 0.908 400 E CB 0.697 30.422 29.700 0.043 0.000 0.963 400 E HN 0.081 nan 8.360 nan 0.000 0.431 401 R N 3.098 123.613 120.500 0.026 0.000 2.474 401 R HA 0.377 4.720 4.340 0.006 0.000 0.295 401 R C -2.161 174.165 176.300 0.042 0.000 0.980 401 R CA -1.982 54.137 56.100 0.032 0.000 0.934 401 R CB 0.901 31.216 30.300 0.024 0.000 1.101 401 R HN 0.446 nan 8.270 nan 0.000 0.469 402 P HA 0.122 nan 4.420 nan 0.000 0.279 402 P C -0.360 176.999 177.300 0.099 0.000 1.239 402 P CA -0.151 62.995 63.100 0.077 0.000 0.789 402 P CB 0.841 32.588 31.700 0.077 0.000 0.933 403 I N 4.152 124.799 120.570 0.128 0.000 2.505 403 I HA 0.134 4.307 4.170 0.006 0.000 0.287 403 I C 1.106 177.396 176.117 0.290 0.000 1.104 403 I CA 0.192 61.596 61.300 0.173 0.000 1.387 403 I CB -0.005 38.100 38.000 0.176 0.000 1.404 403 I HN 0.111 nan 8.210 nan 0.000 0.528 404 R N 6.468 127.137 120.500 0.282 0.000 2.561 404 R HA 0.350 4.693 4.340 0.006 0.000 0.297 404 R C -0.723 175.751 176.300 0.290 0.000 0.969 404 R CA -0.701 55.586 56.100 0.311 0.000 0.879 404 R CB 1.794 32.201 30.300 0.179 0.000 1.178 404 R HN 0.598 nan 8.270 nan 0.000 0.445 405 W N 3.681 124.818 121.300 -0.271 0.000 2.079 405 W HA 0.140 4.803 4.660 0.006 0.000 0.354 405 W C -1.532 174.750 176.519 -0.394 0.000 1.302 405 W CA -0.732 56.191 57.345 -0.704 0.000 1.281 405 W CB 0.397 29.325 29.460 -0.887 0.000 1.165 405 W HN 0.253 nan 8.180 nan 0.000 0.603 406 P HA 0.061 nan 4.420 nan 0.000 0.279 406 P C 0.193 177.509 177.300 0.026 0.000 1.252 406 P CA 0.023 63.076 63.100 -0.079 0.000 0.811 406 P CB 1.271 32.911 31.700 -0.099 0.000 1.035 407 E N 0.986 121.213 120.200 0.044 0.000 2.058 407 E HA -0.119 4.234 4.350 0.006 0.000 0.194 407 E C 0.636 177.275 176.600 0.065 0.000 0.997 407 E CA 1.340 57.777 56.400 0.061 0.000 0.801 407 E CB -0.077 29.651 29.700 0.046 0.000 0.746 407 E HN 0.657 nan 8.360 nan 0.000 0.450 408 T N -2.230 112.354 114.554 0.051 0.000 2.948 408 T HA 0.335 4.689 4.350 0.006 0.000 0.285 408 T C -0.116 174.618 174.700 0.056 0.000 1.019 408 T CA -0.806 61.332 62.100 0.062 0.000 1.013 408 T CB 1.520 70.418 68.868 0.051 0.000 1.117 408 T HN 0.249 nan 8.240 nan 0.000 0.533 409 C N 3.950 123.296 119.300 0.076 0.000 2.499 409 C HA 0.540 5.004 4.460 0.006 0.000 0.386 409 C C -0.738 174.285 174.990 0.056 0.000 1.293 409 C CA -1.768 57.290 59.018 0.068 0.000 1.884 409 C CB 0.366 28.156 27.740 0.084 0.000 2.509 409 C HN 0.799 nan 8.230 nan 0.000 0.566 410 P HA -0.002 nan 4.420 nan 0.000 0.237 410 P C 0.508 177.832 177.300 0.040 0.000 1.178 410 P CA 1.385 64.511 63.100 0.042 0.000 0.766 410 P CB 0.148 31.877 31.700 0.048 0.000 0.876 411 E N -0.826 119.401 120.200 0.046 0.000 2.548 411 E HA 0.125 4.478 4.350 0.006 0.000 0.206 411 E C 1.062 177.690 176.600 0.046 0.000 1.005 411 E CA 0.253 56.678 56.400 0.041 0.000 0.951 411 E CB 0.137 29.862 29.700 0.042 0.000 1.035 411 E HN 0.431 nan 8.360 nan 0.000 0.470 412 C N -4.394 114.939 119.300 0.055 0.000 4.794 412 C HA 0.442 4.905 4.460 0.006 0.000 0.378 412 C C 1.571 176.601 174.990 0.067 0.000 1.797 412 C CA 0.328 59.383 59.018 0.063 0.000 1.852 412 C CB 0.168 27.957 27.740 0.082 0.000 2.730 412 C HN 0.382 nan 8.230 nan 0.000 0.580 413 G N 1.185 110.026 108.800 0.067 0.000 2.205 413 G HA2 -0.220 3.743 3.960 0.006 0.000 0.261 413 G HA3 -0.220 3.743 3.960 0.006 0.000 0.261 413 G C -0.057 174.885 174.900 0.070 0.000 0.980 413 G CA 0.750 45.882 45.100 0.053 0.000 0.632 413 G HN 1.116 nan 8.290 nan 0.000 0.533 414 H N 1.229 120.312 119.070 0.021 0.000 2.815 414 H HA 0.426 4.986 4.556 0.006 0.000 0.350 414 H C 1.139 176.479 175.328 0.019 0.000 1.080 414 H CA 0.255 56.315 56.048 0.020 0.000 1.433 414 H CB 0.728 30.503 29.762 0.023 0.000 1.432 414 H HN 0.444 nan 8.280 nan 0.000 0.592 415 R N 3.540 124.233 120.500 0.322 0.000 2.640 415 R HA 0.088 4.431 4.340 0.006 0.000 0.270 415 R C -0.215 176.220 176.300 0.225 0.000 1.024 415 R CA -0.077 56.156 56.100 0.221 0.000 1.085 415 R CB -0.043 30.343 30.300 0.144 0.000 0.963 415 R HN 0.563 nan 8.270 nan 0.000 0.426 416 L N 3.099 124.391 121.223 0.115 0.000 2.475 416 L HA 0.433 4.777 4.340 0.006 0.000 0.253 416 L C -0.315 176.554 176.870 -0.002 0.000 1.198 416 L CA -0.664 54.215 54.840 0.064 0.000 0.814 416 L CB 1.124 43.247 42.059 0.107 0.000 1.134 416 L HN 0.377 nan 8.230 nan 0.000 0.478 417 V N 1.279 121.153 119.914 -0.066 0.000 2.777 417 V HA 0.193 4.316 4.120 0.006 0.000 0.306 417 V C -0.494 175.464 176.094 -0.226 0.000 1.112 417 V CA -0.840 61.382 62.300 -0.129 0.000 0.917 417 V CB 2.206 33.968 31.823 -0.102 0.000 1.018 417 V HN 0.619 nan 8.190 nan 0.000 0.426 418 K N 3.973 124.177 120.400 -0.327 0.000 2.183 418 K HA 0.255 4.579 4.320 0.006 0.000 0.272 418 K C 0.260 176.726 176.600 -0.222 0.000 1.113 418 K CA -0.071 55.969 56.287 -0.412 0.000 0.949 418 K CB 0.298 32.465 32.500 -0.554 0.000 1.365 418 K HN 0.713 nan 8.250 nan 0.000 0.420 419 E N 3.940 124.043 120.200 -0.162 0.000 1.964 419 E HA 0.136 4.490 4.350 0.006 0.000 0.264 419 E C 0.223 176.771 176.600 -0.088 0.000 1.120 419 E CA 0.113 56.450 56.400 -0.105 0.000 1.061 419 E CB -0.033 29.619 29.700 -0.079 0.000 1.190 419 E HN 0.940 nan 8.360 nan 0.000 0.459 420 G N 3.448 112.191 108.800 -0.093 0.000 2.846 420 G HA2 -0.293 3.671 3.960 0.006 0.000 0.225 420 G HA3 -0.293 3.671 3.960 0.006 0.000 0.225 420 G C 0.474 175.325 174.900 -0.081 0.000 1.285 420 G CA 0.051 45.107 45.100 -0.072 0.000 1.055 420 G HN 0.407 nan 8.290 nan 0.000 0.579 421 K N 0.273 120.635 120.400 -0.063 0.000 2.353 421 K HA 0.525 4.848 4.320 0.006 0.000 0.195 421 K C 0.669 177.227 176.600 -0.070 0.000 1.031 421 K CA 0.906 57.156 56.287 -0.061 0.000 1.079 421 K CB 0.446 32.922 32.500 -0.039 0.000 0.857 421 K HN 1.140 nan 8.250 nan 0.000 0.535 422 V N -1.642 118.233 119.914 -0.066 0.000 2.823 422 V HA 0.429 4.552 4.120 0.006 0.000 0.312 422 V C -0.651 175.408 176.094 -0.057 0.000 1.072 422 V CA -1.068 61.203 62.300 -0.050 0.000 0.937 422 V CB 1.443 33.276 31.823 0.016 0.000 1.013 422 V HN 0.063 nan 8.190 nan 0.000 0.430 423 H N 3.907 122.798 119.070 -0.297 0.000 2.652 423 H HA 0.628 5.187 4.556 0.006 0.000 0.349 423 H C 0.109 175.422 175.328 -0.025 0.000 1.099 423 H CA 0.001 55.917 56.048 -0.220 0.000 1.417 423 H CB 1.222 30.743 29.762 -0.403 0.000 1.457 423 H HN 0.823 nan 8.280 nan 0.000 0.568 424 R N 1.070 121.604 120.500 0.056 0.000 2.766 424 R HA 0.447 4.790 4.340 0.006 0.000 0.270 424 R C -1.567 174.741 176.300 0.014 0.000 1.035 424 R CA -0.901 55.231 56.100 0.054 0.000 0.911 424 R CB 0.811 31.122 30.300 0.017 0.000 1.243 424 R HN 0.474 nan 8.270 nan 0.000 0.460 425 C N 2.690 121.991 119.300 0.003 0.000 2.251 425 C HA 0.492 4.955 4.460 0.006 0.000 0.323 425 C C -1.111 173.812 174.990 -0.110 0.000 1.241 425 C CA -2.000 56.990 59.018 -0.046 0.000 1.601 425 C CB 0.903 28.640 27.740 -0.006 0.000 2.251 425 C HN 0.757 nan 8.230 nan 0.000 0.488 426 P HA -0.107 nan 4.420 nan 0.000 0.223 426 P C 0.229 177.383 177.300 -0.243 0.000 1.151 426 P CA 0.711 63.675 63.100 -0.226 0.000 0.787 426 P CB -0.248 31.291 31.700 -0.269 0.000 0.788 427 N N 1.503 119.980 118.700 -0.370 0.000 2.223 427 N HA -0.081 4.663 4.740 0.006 0.000 0.271 427 N C -1.468 174.032 175.510 -0.017 0.000 1.315 427 N CA -0.630 52.320 53.050 -0.166 0.000 0.835 427 N CB 0.620 39.096 38.487 -0.019 0.000 1.066 427 N HN 0.017 nan 8.380 nan 0.000 0.486 428 P HA -0.065 nan 4.420 nan 0.000 0.225 428 P C 0.410 177.746 177.300 0.061 0.000 1.156 428 P CA 1.033 64.191 63.100 0.097 0.000 0.787 428 P CB 0.334 32.155 31.700 0.202 0.000 0.802 429 L N -1.984 119.275 121.223 0.060 0.000 2.693 429 L HA 0.188 4.531 4.340 0.006 0.000 0.235 429 L C 0.863 177.761 176.870 0.046 0.000 1.127 429 L CA -0.492 54.374 54.840 0.043 0.000 0.914 429 L CB -0.325 41.758 42.059 0.040 0.000 1.193 429 L HN -0.035 nan 8.230 nan 0.000 0.502 430 C N 2.439 121.770 119.300 0.052 0.000 2.378 430 C HA -0.027 4.437 4.460 0.006 0.000 0.395 430 C C -0.393 174.624 174.990 0.045 0.000 1.476 430 C CA -0.876 58.173 59.018 0.052 0.000 1.541 430 C CB 0.591 28.358 27.740 0.045 0.000 2.524 430 C HN 0.209 nan 8.230 nan 0.000 0.595 431 P HA -0.046 nan 4.420 nan 0.000 0.219 431 P C 1.419 178.747 177.300 0.047 0.000 1.146 431 P CA 2.262 65.386 63.100 0.041 0.000 0.808 431 P CB -0.044 31.677 31.700 0.034 0.000 0.779 432 A N -0.386 122.463 122.820 0.047 0.000 2.121 432 A HA -0.148 4.176 4.320 0.006 0.000 0.218 432 A C 1.699 179.323 177.584 0.066 0.000 1.154 432 A CA 1.426 53.494 52.037 0.052 0.000 0.679 432 A CB -0.761 18.268 19.000 0.048 0.000 0.795 432 A HN 0.230 nan 8.150 nan 0.000 0.458 433 K N -1.074 119.364 120.400 0.064 0.000 2.374 433 K HA 0.200 4.523 4.320 0.006 0.000 0.202 433 K C 1.619 178.264 176.600 0.075 0.000 1.040 433 K CA -0.249 56.079 56.287 0.069 0.000 1.085 433 K CB 0.356 32.883 32.500 0.044 0.000 0.873 433 K HN 0.319 nan 8.250 nan 0.000 0.539 434 R N 0.670 121.218 120.500 0.079 0.000 2.122 434 R HA -0.197 4.147 4.340 0.006 0.000 0.236 434 R C 2.006 178.365 176.300 0.097 0.000 1.129 434 R CA 2.218 58.361 56.100 0.072 0.000 0.925 434 R CB -0.686 29.657 30.300 0.071 0.000 0.850 434 R HN 0.207 nan 8.270 nan 0.000 0.431 435 F N 2.225 122.181 119.950 0.010 0.000 2.063 435 F HA -0.317 4.213 4.527 0.006 0.000 0.298 435 F C 2.511 178.325 175.800 0.025 0.000 1.109 435 F CA 2.169 60.178 58.000 0.014 0.000 1.212 435 F CB -0.251 38.756 39.000 0.011 0.000 0.973 435 F HN -0.001 nan 8.300 nan 0.000 0.480 436 E N 0.905 121.087 120.200 -0.030 0.000 2.058 436 E HA -0.197 4.157 4.350 0.006 0.000 0.194 436 E C 2.140 178.661 176.600 -0.131 0.000 0.997 436 E CA 1.658 57.967 56.400 -0.151 0.000 0.801 436 E CB -0.780 28.930 29.700 0.017 0.000 0.746 436 E HN 0.476 nan 8.360 nan 0.000 0.450 437 A N 1.115 123.908 122.820 -0.045 0.000 1.841 437 A HA -0.195 4.128 4.320 0.006 0.000 0.216 437 A C 2.245 179.816 177.584 -0.023 0.000 1.199 437 A CA 1.924 53.960 52.037 -0.001 0.000 0.621 437 A CB -0.911 18.090 19.000 0.002 0.000 0.835 437 A HN 0.366 nan 8.150 nan 0.000 0.445 438 I N -0.330 120.191 120.570 -0.081 0.000 2.185 438 I HA -0.256 3.918 4.170 0.006 0.000 0.246 438 I C 2.574 178.642 176.117 -0.081 0.000 1.088 438 I CA 1.949 63.196 61.300 -0.089 0.000 1.347 438 I CB -1.245 36.701 38.000 -0.089 0.000 1.041 438 I HN 0.440 nan 8.210 nan 0.000 0.415 439 R N -0.326 120.043 120.500 -0.219 0.000 2.057 439 R HA -0.201 4.143 4.340 0.006 0.000 0.229 439 R C 2.543 178.810 176.300 -0.055 0.000 1.136 439 R CA 1.451 57.424 56.100 -0.213 0.000 0.952 439 R CB -0.382 29.638 30.300 -0.466 0.000 0.848 439 R HN 0.317 nan 8.270 nan 0.000 0.430 440 H N -0.405 118.579 119.070 -0.144 0.000 2.319 440 H HA -0.242 4.318 4.556 0.006 0.000 0.297 440 H C 1.688 176.960 175.328 -0.094 0.000 1.097 440 H CA 2.349 58.322 56.048 -0.126 0.000 1.285 440 H CB -0.622 29.054 29.762 -0.144 0.000 1.368 440 H HN 0.332 nan 8.280 nan 0.000 0.495 441 Y N 0.049 120.222 120.300 -0.211 0.000 2.274 441 Y HA -0.129 4.425 4.550 0.006 0.000 0.290 441 Y C 2.431 178.234 175.900 -0.161 0.000 1.145 441 Y CA 1.489 59.454 58.100 -0.226 0.000 1.203 441 Y CB -0.359 38.033 38.460 -0.113 0.000 0.984 441 Y HN 0.325 nan 8.280 nan 0.000 0.533 442 A N -0.357 122.494 122.820 0.051 0.000 2.169 442 A HA 0.101 4.424 4.320 0.006 0.000 0.212 442 A C 1.293 178.846 177.584 -0.051 0.000 1.153 442 A CA 0.445 52.487 52.037 0.008 0.000 0.756 442 A CB -0.920 18.095 19.000 0.025 0.000 0.813 442 A HN 0.413 nan 8.150 nan 0.000 0.471 443 S N -0.094 115.564 115.700 -0.071 0.000 2.572 443 S HA 0.205 4.678 4.470 0.006 0.000 0.279 443 S C 0.976 175.556 174.600 -0.032 0.000 1.341 443 S CA -0.045 58.137 58.200 -0.031 0.000 1.043 443 S CB 0.747 63.954 63.200 0.010 0.000 0.887 443 S HN 0.473 nan 8.310 nan 0.000 0.516 444 R N 2.406 122.905 120.500 -0.002 0.000 2.127 444 R HA -0.039 4.304 4.340 0.006 0.000 0.238 444 R C 1.843 178.153 176.300 0.017 0.000 1.134 444 R CA 1.529 57.628 56.100 -0.002 0.000 0.975 444 R CB -0.669 29.634 30.300 0.004 0.000 0.865 444 R HN 0.686 nan 8.270 nan 0.000 0.447 445 K N 0.366 120.809 120.400 0.072 0.000 2.147 445 K HA 0.017 4.341 4.320 0.006 0.000 0.205 445 K C 1.406 178.144 176.600 0.230 0.000 1.049 445 K CA 1.127 57.498 56.287 0.141 0.000 0.936 445 K CB -0.059 32.613 32.500 0.287 0.000 0.722 445 K HN 0.314 nan 8.250 nan 0.000 0.446 446 A N 0.888 123.759 122.820 0.084 0.000 3.591 446 A HA 0.149 4.472 4.320 0.006 0.000 0.163 446 A C 1.048 178.522 177.584 -0.182 0.000 1.876 446 A CA -0.141 51.826 52.037 -0.118 0.000 1.380 446 A CB -0.058 18.672 19.000 -0.449 0.000 1.777 446 A HN 0.016 nan 8.150 nan 0.000 0.720 447 M N 0.783 120.149 119.600 -0.391 0.000 2.639 447 M HA 0.104 4.587 4.480 0.006 0.000 0.220 447 M C -0.114 176.084 176.300 -0.169 0.000 1.155 447 M CA -0.097 54.995 55.300 -0.346 0.000 1.003 447 M CB -1.969 30.222 32.600 -0.681 0.000 1.725 447 M HN 0.667 nan 8.290 nan 0.000 0.489 448 D N 2.224 122.553 120.400 -0.119 0.000 3.665 448 D HA -0.217 4.427 4.640 0.006 0.000 0.206 448 D C -0.856 175.419 176.300 -0.042 0.000 1.080 448 D CA 0.691 54.657 54.000 -0.058 0.000 1.080 448 D CB -0.356 40.425 40.800 -0.033 0.000 0.781 448 D HN 0.463 nan 8.370 nan 0.000 0.401 449 I N 3.720 124.270 120.570 -0.034 0.000 2.563 449 I HA 0.074 4.247 4.170 0.006 0.000 0.276 449 I C 1.249 177.355 176.117 -0.017 0.000 1.074 449 I CA -0.615 60.670 61.300 -0.025 0.000 1.124 449 I CB 1.194 39.182 38.000 -0.020 0.000 1.225 449 I HN 0.270 nan 8.210 nan 0.000 0.482 450 E N 3.286 123.478 120.200 -0.013 0.000 2.204 450 E HA -0.146 4.208 4.350 0.006 0.000 0.195 450 E C 2.106 178.703 176.600 -0.005 0.000 0.990 450 E CA 1.227 57.623 56.400 -0.007 0.000 0.821 450 E CB 0.163 29.860 29.700 -0.004 0.000 0.750 450 E HN 0.866 nan 8.360 nan 0.000 0.477 451 G N 1.750 110.544 108.800 -0.011 0.000 2.421 451 G HA2 -0.179 3.784 3.960 0.006 0.000 0.216 451 G HA3 -0.179 3.784 3.960 0.006 0.000 0.216 451 G C 0.837 175.734 174.900 -0.005 0.000 1.171 451 G CA -0.006 45.089 45.100 -0.009 0.000 0.775 451 G HN 0.098 nan 8.290 nan 0.000 0.543 452 L N 2.850 124.067 121.223 -0.010 0.000 2.694 452 L HA 0.120 4.464 4.340 0.006 0.000 0.287 452 L C 1.416 178.294 176.870 0.013 0.000 1.249 452 L CA 0.140 54.978 54.840 -0.003 0.000 1.177 452 L CB -1.168 40.884 42.059 -0.012 0.000 1.435 452 L HN 0.082 nan 8.230 nan 0.000 0.440 453 G N 1.716 110.532 108.800 0.025 0.000 2.527 453 G HA2 0.071 4.034 3.960 0.006 0.000 0.248 453 G HA3 0.071 4.034 3.960 0.006 0.000 0.248 453 G C 0.873 175.819 174.900 0.077 0.000 1.231 453 G CA -0.423 44.703 45.100 0.042 0.000 0.838 453 G HN 0.728 nan 8.290 nan 0.000 0.570 454 E N 0.596 120.861 120.200 0.108 0.000 2.219 454 E HA -0.183 4.171 4.350 0.006 0.000 0.198 454 E C 2.058 178.791 176.600 0.222 0.000 0.998 454 E CA 1.431 57.964 56.400 0.220 0.000 0.818 454 E CB 0.038 29.880 29.700 0.238 0.000 0.741 454 E HN 0.597 nan 8.360 nan 0.000 0.477 455 K N -0.306 120.164 120.400 0.116 0.000 2.137 455 K HA -0.084 4.239 4.320 0.006 0.000 0.202 455 K C 2.083 178.726 176.600 0.071 0.000 1.052 455 K CA 0.607 56.939 56.287 0.075 0.000 0.961 455 K CB -0.071 32.455 32.500 0.042 0.000 0.741 455 K HN 0.116 nan 8.250 nan 0.000 0.452 456 L N 1.768 123.030 121.223 0.065 0.000 2.141 456 L HA -0.075 4.269 4.340 0.006 0.000 0.209 456 L C 1.803 178.712 176.870 0.064 0.000 1.094 456 L CA 1.440 56.309 54.840 0.048 0.000 0.763 456 L CB -0.195 41.883 42.059 0.030 0.000 0.908 456 L HN 0.121 nan 8.230 nan 0.000 0.437 457 I N -0.053 120.580 120.570 0.104 0.000 2.315 457 I HA -0.255 3.919 4.170 0.006 0.000 0.248 457 I C 2.314 178.538 176.117 0.177 0.000 1.117 457 I CA 1.561 62.939 61.300 0.130 0.000 1.404 457 I CB -0.419 37.667 38.000 0.144 0.000 1.071 457 I HN 0.462 nan 8.210 nan 0.000 0.419 458 E N 0.954 121.265 120.200 0.185 0.000 2.371 458 E HA -0.179 4.175 4.350 0.006 0.000 0.194 458 E C 2.140 178.768 176.600 0.046 0.000 1.012 458 E CA 0.243 56.704 56.400 0.102 0.000 0.860 458 E CB -0.038 29.656 29.700 -0.010 0.000 0.811 458 E HN 0.236 nan 8.360 nan 0.000 0.502 459 R N 1.271 121.799 120.500 0.046 0.000 2.100 459 R HA 0.135 4.478 4.340 0.006 0.000 0.220 459 R C 2.027 178.342 176.300 0.025 0.000 1.091 459 R CA 0.969 57.084 56.100 0.025 0.000 0.986 459 R CB -0.423 29.890 30.300 0.022 0.000 0.888 459 R HN 0.272 nan 8.270 nan 0.000 0.444 460 L N 0.003 121.246 121.223 0.033 0.000 2.291 460 L HA -0.029 4.315 4.340 0.006 0.000 0.214 460 L C 1.741 178.629 176.870 0.028 0.000 1.120 460 L CA 0.287 55.142 54.840 0.024 0.000 0.799 460 L CB -0.254 41.817 42.059 0.019 0.000 0.925 460 L HN 0.197 nan 8.230 nan 0.000 0.446 461 L N -0.263 120.986 121.223 0.044 0.000 2.162 461 L HA -0.104 4.239 4.340 0.006 0.000 0.205 461 L C 2.380 179.267 176.870 0.029 0.000 1.086 461 L CA 1.536 56.403 54.840 0.046 0.000 0.778 461 L CB -0.578 41.529 42.059 0.080 0.000 0.928 461 L HN 0.253 nan 8.230 nan 0.000 0.446 462 E N 0.110 120.323 120.200 0.022 0.000 2.112 462 E HA -0.196 4.158 4.350 0.006 0.000 0.190 462 E C 2.029 178.633 176.600 0.008 0.000 0.979 462 E CA 0.861 57.266 56.400 0.010 0.000 0.814 462 E CB 0.103 29.804 29.700 0.001 0.000 0.762 462 E HN 0.132 nan 8.360 nan 0.000 0.460 463 K N -1.099 119.307 120.400 0.010 0.000 2.525 463 K HA 0.005 4.328 4.320 0.006 0.000 0.192 463 K C 0.802 177.407 176.600 0.008 0.000 1.029 463 K CA 0.732 57.023 56.287 0.007 0.000 1.029 463 K CB -0.013 32.491 32.500 0.007 0.000 0.814 463 K HN 0.301 nan 8.250 nan 0.000 0.503 464 G N 0.737 109.544 108.800 0.011 0.000 2.184 464 G HA2 -0.285 3.678 3.960 0.006 0.000 0.264 464 G HA3 -0.285 3.678 3.960 0.006 0.000 0.264 464 G C 0.666 175.574 174.900 0.012 0.000 0.975 464 G CA 0.525 45.632 45.100 0.011 0.000 0.642 464 G HN 0.305 nan 8.290 nan 0.000 0.536 465 L N -0.753 120.478 121.223 0.013 0.000 2.201 465 L HA 0.161 4.504 4.340 0.006 0.000 0.212 465 L C 1.179 178.060 176.870 0.018 0.000 1.105 465 L CA 0.904 55.752 54.840 0.015 0.000 0.775 465 L CB -0.287 41.779 42.059 0.011 0.000 0.913 465 L HN 0.231 nan 8.230 nan 0.000 0.440 466 V N -1.354 118.570 119.914 0.015 0.000 3.001 466 V HA 0.352 4.476 4.120 0.006 0.000 0.314 466 V C 0.378 176.480 176.094 0.014 0.000 1.099 466 V CA -0.640 61.667 62.300 0.012 0.000 0.989 466 V CB 2.652 34.475 31.823 0.001 0.000 1.040 466 V HN 0.062 nan 8.190 nan 0.000 0.434 467 R N 0.244 120.748 120.500 0.008 0.000 2.702 467 R HA 0.239 4.582 4.340 0.006 0.000 0.223 467 R C -0.834 175.464 176.300 -0.003 0.000 0.953 467 R CA 0.352 56.457 56.100 0.009 0.000 1.068 467 R CB 0.988 31.294 30.300 0.011 0.000 1.600 467 R HN 0.987 nan 8.270 nan 0.000 0.602 468 D N -2.423 117.962 120.400 -0.025 0.000 2.768 468 D HA 0.050 4.693 4.640 0.006 0.000 0.327 468 D C 0.698 176.929 176.300 -0.116 0.000 1.302 468 D CA -0.702 53.261 54.000 -0.061 0.000 0.897 468 D CB 0.564 41.330 40.800 -0.057 0.000 1.420 468 D HN -0.265 nan 8.370 nan 0.000 0.494 469 V N 0.303 120.092 119.914 -0.207 0.000 2.324 469 V HA -0.198 3.926 4.120 0.006 0.000 0.250 469 V C 2.564 178.509 176.094 -0.248 0.000 1.060 469 V CA 2.938 65.004 62.300 -0.391 0.000 1.042 469 V CB -1.241 30.157 31.823 -0.709 0.000 0.650 469 V HN 0.764 nan 8.190 nan 0.000 0.450 470 A N -0.166 122.552 122.820 -0.170 0.000 1.883 470 A HA -0.295 4.028 4.320 0.006 0.000 0.217 470 A C 1.962 179.543 177.584 -0.006 0.000 1.186 470 A CA 2.074 54.053 52.037 -0.097 0.000 0.624 470 A CB -0.821 18.118 19.000 -0.102 0.000 0.822 470 A HN 0.526 nan 8.150 nan 0.000 0.444 471 D N -0.000 120.405 120.400 0.009 0.000 2.292 471 D HA -0.173 4.470 4.640 0.006 0.000 0.205 471 D C 1.743 178.043 176.300 -0.000 0.000 0.994 471 D CA 0.947 54.981 54.000 0.056 0.000 0.897 471 D CB -0.363 40.462 40.800 0.041 0.000 0.907 471 D HN 0.535 nan 8.370 nan 0.000 0.467 472 L N -0.588 120.600 121.223 -0.057 0.000 2.012 472 L HA -0.219 4.125 4.340 0.006 0.000 0.210 472 L C 2.054 178.754 176.870 -0.283 0.000 1.073 472 L CA 1.121 55.840 54.840 -0.202 0.000 0.748 472 L CB -0.596 41.242 42.059 -0.368 0.000 0.891 472 L HN 0.119 nan 8.230 nan 0.000 0.431 473 Y N -1.751 118.418 120.300 -0.219 0.000 2.571 473 Y HA -0.103 4.450 4.550 0.006 0.000 0.294 473 Y C 2.155 177.912 175.900 -0.239 0.000 1.141 473 Y CA 0.558 58.510 58.100 -0.247 0.000 1.308 473 Y CB -0.557 37.709 38.460 -0.324 0.000 1.002 473 Y HN 0.232 nan 8.280 nan 0.000 0.551 474 H N -1.555 117.569 119.070 0.089 0.000 2.549 474 H HA 0.165 4.725 4.556 0.006 0.000 0.279 474 H C 1.366 176.701 175.328 0.012 0.000 1.018 474 H CA 0.037 56.112 56.048 0.044 0.000 1.175 474 H CB 0.368 30.149 29.762 0.032 0.000 1.485 474 H HN 0.277 nan 8.280 nan 0.000 0.543 475 L N 0.430 121.694 121.223 0.068 0.000 2.554 475 L HA 0.055 4.398 4.340 0.006 0.000 0.226 475 L C 2.090 178.971 176.870 0.018 0.000 1.137 475 L CA 0.639 55.494 54.840 0.025 0.000 0.863 475 L CB -0.276 41.767 42.059 -0.026 0.000 0.985 475 L HN 0.034 nan 8.230 nan 0.000 0.451 476 R N 0.311 120.831 120.500 0.033 0.000 2.270 476 R HA -0.250 4.094 4.340 0.006 0.000 0.260 476 R C 0.603 176.916 176.300 0.022 0.000 1.127 476 R CA 1.475 57.593 56.100 0.029 0.000 0.969 476 R CB -0.718 29.618 30.300 0.059 0.000 0.918 476 R HN 0.332 nan 8.270 nan 0.000 0.455 477 K N 2.010 122.427 120.400 0.028 0.000 2.253 477 K HA -0.092 4.232 4.320 0.006 0.000 0.273 477 K C 0.544 177.150 176.600 0.010 0.000 1.118 477 K CA 0.344 56.642 56.287 0.019 0.000 1.100 477 K CB 0.236 32.747 32.500 0.019 0.000 0.932 477 K HN 0.344 nan 8.250 nan 0.000 0.433 478 E N 1.365 121.569 120.200 0.007 0.000 2.265 478 E HA -0.221 4.132 4.350 0.006 0.000 0.196 478 E C 1.196 177.798 176.600 0.003 0.000 0.996 478 E CA 0.869 57.270 56.400 0.002 0.000 0.832 478 E CB 0.052 29.754 29.700 0.002 0.000 0.756 478 E HN 0.504 nan 8.360 nan 0.000 0.491 479 D N 0.497 120.900 120.400 0.005 0.000 2.265 479 D HA -0.147 4.496 4.640 0.006 0.000 0.208 479 D C 1.584 177.886 176.300 0.004 0.000 0.977 479 D CA 0.847 54.849 54.000 0.004 0.000 0.871 479 D CB 0.099 40.902 40.800 0.005 0.000 0.925 479 D HN 0.161 nan 8.370 nan 0.000 0.485 480 L N -0.613 120.613 121.223 0.005 0.000 2.095 480 L HA 0.005 4.349 4.340 0.006 0.000 0.204 480 L C 2.051 178.922 176.870 0.002 0.000 1.080 480 L CA 0.477 55.320 54.840 0.005 0.000 0.759 480 L CB -0.244 41.819 42.059 0.007 0.000 0.914 480 L HN 0.044 nan 8.230 nan 0.000 0.439 481 L N 0.246 121.468 121.223 -0.000 0.000 2.675 481 L HA 0.083 4.426 4.340 0.006 0.000 0.239 481 L C 1.084 177.953 176.870 -0.001 0.000 1.151 481 L CA -0.084 54.755 54.840 -0.002 0.000 0.905 481 L CB -0.517 41.538 42.059 -0.007 0.000 1.057 481 L HN 0.203 nan 8.230 nan 0.000 0.435 482 G N 0.084 108.885 108.800 0.001 0.000 4.699 482 G HA2 0.495 4.459 3.960 0.006 0.000 0.308 482 G HA3 0.495 4.459 3.960 0.006 0.000 0.308 482 G C 0.318 175.219 174.900 0.001 0.000 1.399 482 G CA -0.064 45.037 45.100 0.001 0.000 1.221 482 G HN 0.265 nan 8.290 nan 0.000 0.596 483 L N -0.702 120.522 121.223 0.002 0.000 4.269 483 L HA 0.195 4.538 4.340 0.006 0.000 0.423 483 L C -0.266 176.605 176.870 0.002 0.000 1.158 483 L CA 0.070 54.911 54.840 0.002 0.000 1.472 483 L CB 0.859 42.919 42.059 0.002 0.000 1.521 483 L HN 0.158 nan 8.230 nan 0.000 0.603 484 E N 0.339 120.541 120.200 0.003 0.000 3.898 484 E HA 0.389 4.743 4.350 0.006 0.000 0.219 484 E C 0.115 176.717 176.600 0.004 0.000 1.207 484 E CA -0.282 56.120 56.400 0.004 0.000 1.240 484 E CB 0.734 30.438 29.700 0.006 0.000 1.239 484 E HN 0.101 nan 8.360 nan 0.000 0.422 485 R N -0.742 119.760 120.500 0.003 0.000 3.785 485 R HA -0.193 4.151 4.340 0.006 0.000 0.476 485 R C -0.065 176.237 176.300 0.003 0.000 0.905 485 R CA 1.245 57.347 56.100 0.003 0.000 1.412 485 R CB -1.553 28.750 30.300 0.005 0.000 2.077 485 R HN 0.332 nan 8.270 nan 0.000 0.504 486 M N -0.583 119.018 119.600 0.002 0.000 2.423 486 M HA 0.460 4.944 4.480 0.006 0.000 0.335 486 M C 1.337 177.637 176.300 0.001 0.000 1.177 486 M CA 0.011 55.312 55.300 0.001 0.000 1.038 486 M CB 1.782 34.382 32.600 0.000 0.000 1.641 486 M HN 0.200 nan 8.290 nan 0.000 0.455 487 G N 0.781 109.581 108.800 0.001 0.000 3.198 487 G HA2 0.294 4.257 3.960 0.006 0.000 0.203 487 G HA3 0.294 4.257 3.960 0.006 0.000 0.203 487 G C 0.147 175.048 174.900 0.001 0.000 1.950 487 G CA -0.124 44.977 45.100 0.001 0.000 0.798 487 G HN 0.773 nan 8.290 nan 0.000 0.720 488 E N -0.980 119.220 120.200 0.001 0.000 2.789 488 E HA 0.195 4.548 4.350 0.006 0.000 0.217 488 E C 1.111 177.711 176.600 0.001 0.000 0.970 488 E CA -0.119 56.281 56.400 0.001 0.000 1.201 488 E CB 1.357 31.058 29.700 0.001 0.000 1.069 488 E HN 0.357 nan 8.360 nan 0.000 0.499 489 K N 0.416 120.816 120.400 0.001 0.000 2.335 489 K HA 0.128 4.451 4.320 0.006 0.000 0.195 489 K C 1.933 178.533 176.600 0.000 0.000 1.058 489 K CA 0.734 57.021 56.287 0.001 0.000 0.988 489 K CB 0.454 32.955 32.500 0.001 0.000 0.880 489 K HN 0.013 nan 8.250 nan 0.000 0.513 490 S N -0.526 115.174 115.700 -0.000 0.000 2.499 490 S HA 0.195 4.668 4.470 0.006 0.000 0.225 490 S C 1.741 176.340 174.600 -0.003 0.000 1.050 490 S CA 0.501 58.700 58.200 -0.001 0.000 0.928 490 S CB 0.174 63.374 63.200 -0.000 0.000 0.803 490 S HN 0.351 nan 8.310 nan 0.000 0.506 491 A N 1.846 124.664 122.820 -0.003 0.000 1.821 491 A HA -0.051 4.272 4.320 0.006 0.000 0.215 491 A C 2.031 179.611 177.584 -0.007 0.000 1.214 491 A CA 1.574 53.608 52.037 -0.005 0.000 0.608 491 A CB -1.243 17.755 19.000 -0.003 0.000 0.862 491 A HN 0.637 nan 8.150 nan 0.000 0.448 492 Q N -0.376 119.422 119.800 -0.003 0.000 2.268 492 Q HA -0.267 4.076 4.340 0.006 0.000 0.213 492 Q C 2.062 178.060 176.000 -0.004 0.000 0.995 492 Q CA 1.587 57.389 55.803 -0.002 0.000 0.901 492 Q CB -0.386 28.352 28.738 0.001 0.000 0.921 492 Q HN 0.679 nan 8.270 nan 0.000 0.421 493 N N 0.892 119.589 118.700 -0.004 0.000 2.039 493 N HA -0.149 4.595 4.740 0.006 0.000 0.193 493 N C 1.734 177.239 175.510 -0.009 0.000 1.044 493 N CA 1.098 54.145 53.050 -0.004 0.000 0.847 493 N CB -0.203 38.282 38.487 -0.003 0.000 1.030 493 N HN 0.274 nan 8.380 nan 0.000 0.422 494 L N 0.928 122.142 121.223 -0.014 0.000 2.093 494 L HA -0.085 4.259 4.340 0.006 0.000 0.208 494 L C 2.326 179.175 176.870 -0.036 0.000 1.085 494 L CA 0.717 55.543 54.840 -0.024 0.000 0.755 494 L CB -0.318 41.725 42.059 -0.026 0.000 0.904 494 L HN 0.207 nan 8.230 nan 0.000 0.435 495 L N 1.125 122.330 121.223 -0.030 0.000 2.129 495 L HA -0.241 4.102 4.340 0.006 0.000 0.212 495 L C 2.760 179.614 176.870 -0.028 0.000 1.087 495 L CA 2.413 57.233 54.840 -0.034 0.000 0.757 495 L CB -0.862 41.187 42.059 -0.017 0.000 0.896 495 L HN 0.549 nan 8.230 nan 0.000 0.434 496 R N -1.350 119.143 120.500 -0.013 0.000 2.240 496 R HA -0.079 4.265 4.340 0.006 0.000 0.203 496 R C 1.818 178.119 176.300 0.002 0.000 1.011 496 R CA 0.546 56.648 56.100 0.003 0.000 1.007 496 R CB -0.316 29.991 30.300 0.011 0.000 0.911 496 R HN 0.440 nan 8.270 nan 0.000 0.468 497 Q N 1.016 120.805 119.800 -0.018 0.000 2.096 497 Q HA 0.060 4.404 4.340 0.006 0.000 0.197 497 Q C 2.040 178.010 176.000 -0.051 0.000 0.964 497 Q CA 1.136 56.927 55.803 -0.020 0.000 0.838 497 Q CB 0.013 28.735 28.738 -0.027 0.000 0.906 497 Q HN 0.385 nan 8.270 nan 0.000 0.444 498 I N 0.948 121.449 120.570 -0.115 0.000 3.010 498 I HA -0.214 3.959 4.170 0.006 0.000 0.271 498 I C 2.055 178.065 176.117 -0.179 0.000 1.293 498 I CA 0.716 61.853 61.300 -0.271 0.000 1.452 498 I CB -0.036 37.740 38.000 -0.374 0.000 1.082 498 I HN 0.230 nan 8.210 nan 0.000 0.484 499 E N 1.398 121.577 120.200 -0.035 0.000 2.065 499 E HA -0.109 4.245 4.350 0.006 0.000 0.191 499 E C 1.894 178.543 176.600 0.080 0.000 0.960 499 E CA 0.997 57.425 56.400 0.047 0.000 0.824 499 E CB -0.023 29.709 29.700 0.054 0.000 0.793 499 E HN 0.335 nan 8.360 nan 0.000 0.459 500 E N 0.355 120.621 120.200 0.109 0.000 2.160 500 E HA -0.179 4.175 4.350 0.006 0.000 0.195 500 E C 1.959 178.656 176.600 0.162 0.000 0.991 500 E CA 1.365 57.887 56.400 0.203 0.000 0.810 500 E CB -0.195 29.576 29.700 0.120 0.000 0.742 500 E HN 0.364 nan 8.360 nan 0.000 0.466 501 S N 1.179 116.928 115.700 0.081 0.000 2.442 501 S HA -0.156 4.318 4.470 0.006 0.000 0.236 501 S C 1.684 176.323 174.600 0.065 0.000 1.007 501 S CA 0.824 59.064 58.200 0.067 0.000 0.965 501 S CB -0.143 63.093 63.200 0.062 0.000 0.773 501 S HN 0.151 nan 8.310 nan 0.000 0.504 502 K N 0.517 120.930 120.400 0.022 0.000 2.160 502 K HA -0.135 4.189 4.320 0.006 0.000 0.206 502 K C 1.815 178.247 176.600 -0.280 0.000 1.047 502 K CA 1.589 57.787 56.287 -0.148 0.000 0.930 502 K CB -0.358 31.942 32.500 -0.332 0.000 0.720 502 K HN 0.643 nan 8.250 nan 0.000 0.450 503 H N 0.512 119.609 119.070 0.044 0.000 2.535 503 H HA 0.073 4.633 4.556 0.006 0.000 0.273 503 H C 0.340 175.672 175.328 0.007 0.000 0.983 503 H CA 0.223 56.282 56.048 0.019 0.000 1.238 503 H CB 0.178 29.950 29.762 0.017 0.000 1.412 503 H HN 0.004 nan 8.280 nan 0.000 0.562 504 R N 1.613 122.158 120.500 0.076 0.000 2.640 504 R HA 0.087 4.431 4.340 0.006 0.000 0.270 504 R C 0.918 177.233 176.300 0.024 0.000 1.024 504 R CA -0.013 56.107 56.100 0.033 0.000 1.085 504 R CB -0.130 30.159 30.300 -0.018 0.000 0.963 504 R HN 0.186 nan 8.270 nan 0.000 0.426 505 G N 1.319 110.134 108.800 0.026 0.000 2.599 505 G HA2 0.124 4.088 3.960 0.006 0.000 0.264 505 G HA3 0.124 4.088 3.960 0.006 0.000 0.264 505 G C 1.219 176.134 174.900 0.025 0.000 1.200 505 G CA -0.787 44.330 45.100 0.028 0.000 0.896 505 G HN 0.606 nan 8.290 nan 0.000 0.536 506 L N -0.158 121.086 121.223 0.035 0.000 2.123 506 L HA -0.237 4.106 4.340 0.006 0.000 0.217 506 L C 2.693 179.599 176.870 0.059 0.000 1.081 506 L CA 2.382 57.251 54.840 0.049 0.000 0.772 506 L CB -0.314 41.783 42.059 0.063 0.000 0.890 506 L HN 0.724 nan 8.230 nan 0.000 0.437 507 E N -0.170 120.061 120.200 0.052 0.000 2.000 507 E HA -0.250 4.104 4.350 0.006 0.000 0.199 507 E C 2.113 178.752 176.600 0.065 0.000 1.011 507 E CA 1.705 58.138 56.400 0.055 0.000 0.836 507 E CB -0.321 29.397 29.700 0.031 0.000 0.778 507 E HN 0.385 nan 8.360 nan 0.000 0.462 508 R N 0.305 120.830 120.500 0.041 0.000 2.170 508 R HA -0.124 4.220 4.340 0.006 0.000 0.242 508 R C 2.310 178.625 176.300 0.025 0.000 1.145 508 R CA 0.775 56.904 56.100 0.049 0.000 0.984 508 R CB -0.386 29.916 30.300 0.003 0.000 0.869 508 R HN 0.204 nan 8.270 nan 0.000 0.455 509 L N 0.853 122.082 121.223 0.010 0.000 2.109 509 L HA -0.099 4.245 4.340 0.006 0.000 0.207 509 L C 1.890 178.790 176.870 0.051 0.000 1.086 509 L CA 1.544 56.379 54.840 -0.009 0.000 0.760 509 L CB -0.363 41.705 42.059 0.014 0.000 0.910 509 L HN 0.265 nan 8.230 nan 0.000 0.437 510 L N -1.248 120.034 121.223 0.097 0.000 2.093 510 L HA -0.262 4.081 4.340 0.006 0.000 0.208 510 L C 2.552 179.517 176.870 0.159 0.000 1.085 510 L CA 1.084 56.006 54.840 0.138 0.000 0.755 510 L CB -0.714 41.424 42.059 0.132 0.000 0.904 510 L HN 0.259 nan 8.230 nan 0.000 0.435 511 Y N 0.742 121.052 120.300 0.016 0.000 2.293 511 Y HA -0.161 4.392 4.550 0.006 0.000 0.291 511 Y C 2.398 178.261 175.900 -0.061 0.000 1.137 511 Y CA 0.836 58.942 58.100 0.010 0.000 1.202 511 Y CB -0.275 38.168 38.460 -0.029 0.000 0.990 511 Y HN 0.081 nan 8.280 nan 0.000 0.537 512 A N -0.075 122.563 122.820 -0.303 0.000 1.898 512 A HA -0.089 4.234 4.320 0.006 0.000 0.216 512 A C 1.622 179.157 177.584 -0.081 0.000 1.181 512 A CA 1.498 53.261 52.037 -0.456 0.000 0.620 512 A CB -0.941 17.754 19.000 -0.509 0.000 0.819 512 A HN 0.354 nan 8.150 nan 0.000 0.442 513 L N 0.559 121.841 121.223 0.100 0.000 2.713 513 L HA 0.216 4.560 4.340 0.006 0.000 0.245 513 L C 1.406 178.397 176.870 0.201 0.000 1.169 513 L CA 0.362 55.323 54.840 0.201 0.000 0.962 513 L CB -1.486 40.728 42.059 0.258 0.000 1.161 513 L HN 0.437 nan 8.230 nan 0.000 0.427 514 G N 0.810 109.720 108.800 0.184 0.000 2.101 514 G HA2 -0.276 3.688 3.960 0.006 0.000 0.247 514 G HA3 -0.276 3.688 3.960 0.006 0.000 0.247 514 G C 0.133 175.089 174.900 0.094 0.000 0.740 514 G CA 0.106 45.297 45.100 0.152 0.000 1.130 514 G HN 0.309 nan 8.290 nan 0.000 0.342 515 L N 3.253 124.525 121.223 0.083 0.000 2.421 515 L HA 0.419 4.763 4.340 0.006 0.000 0.263 515 L C -1.175 175.692 176.870 -0.006 0.000 1.122 515 L CA -2.234 52.611 54.840 0.008 0.000 0.804 515 L CB 0.883 42.921 42.059 -0.034 0.000 1.150 515 L HN 0.175 nan 8.230 nan 0.000 0.457 516 P HA -0.018 nan 4.420 nan 0.000 0.250 516 P C 0.716 178.005 177.300 -0.019 0.000 1.198 516 P CA 1.039 64.117 63.100 -0.037 0.000 1.118 516 P CB 0.297 31.959 31.700 -0.062 0.000 1.208 517 G N 2.727 111.529 108.800 0.004 0.000 2.308 517 G HA2 -0.284 3.680 3.960 0.006 0.000 0.221 517 G HA3 -0.284 3.680 3.960 0.006 0.000 0.221 517 G C 0.175 175.104 174.900 0.048 0.000 1.032 517 G CA -0.084 45.027 45.100 0.019 0.000 0.623 517 G HN 0.593 nan 8.290 nan 0.000 0.506 518 V N 3.403 123.351 119.914 0.058 0.000 2.456 518 V HA 0.465 4.589 4.120 0.006 0.000 0.247 518 V C 1.361 177.556 176.094 0.168 0.000 1.056 518 V CA 1.096 63.453 62.300 0.095 0.000 1.203 518 V CB -0.384 31.494 31.823 0.093 0.000 1.185 518 V HN 1.081 nan 8.190 nan 0.000 0.477 519 G N 3.902 112.782 108.800 0.133 0.000 2.580 519 G HA2 0.185 4.149 3.960 0.006 0.000 0.278 519 G HA3 0.185 4.149 3.960 0.006 0.000 0.278 519 G C 0.594 175.542 174.900 0.079 0.000 1.212 519 G CA 0.214 45.406 45.100 0.153 0.000 0.939 519 G HN 0.749 nan 8.290 nan 0.000 0.513 520 E N -1.152 118.961 120.200 -0.145 0.000 2.147 520 E HA -0.196 4.157 4.350 0.006 0.000 0.199 520 E C 2.205 178.706 176.600 -0.166 0.000 1.005 520 E CA 1.624 57.770 56.400 -0.424 0.000 0.810 520 E CB 0.010 29.344 29.700 -0.609 0.000 0.736 520 E HN 0.242 nan 8.360 nan 0.000 0.460 521 V N 0.553 120.415 119.914 -0.087 0.000 2.446 521 V HA -0.116 4.008 4.120 0.006 0.000 0.244 521 V C 2.137 178.229 176.094 -0.004 0.000 1.039 521 V CA 0.879 63.153 62.300 -0.043 0.000 1.045 521 V CB -0.047 31.757 31.823 -0.032 0.000 0.681 521 V HN 0.391 nan 8.190 nan 0.000 0.459 522 L N 0.617 121.850 121.223 0.017 0.000 2.191 522 L HA -0.055 4.289 4.340 0.006 0.000 0.212 522 L C 2.405 179.312 176.870 0.062 0.000 1.103 522 L CA 2.437 57.301 54.840 0.041 0.000 0.769 522 L CB -1.261 40.827 42.059 0.048 0.000 0.908 522 L HN 0.462 nan 8.230 nan 0.000 0.438 523 A N -0.066 122.795 122.820 0.069 0.000 1.854 523 A HA -0.215 4.109 4.320 0.006 0.000 0.214 523 A C 2.454 180.083 177.584 0.075 0.000 1.192 523 A CA 1.293 53.387 52.037 0.095 0.000 0.611 523 A CB -0.548 18.534 19.000 0.136 0.000 0.832 523 A HN 0.392 nan 8.150 nan 0.000 0.442 524 R N -0.136 120.387 120.500 0.039 0.000 2.083 524 R HA -0.184 4.160 4.340 0.006 0.000 0.237 524 R C 1.581 177.904 176.300 0.038 0.000 1.137 524 R CA 1.988 58.105 56.100 0.028 0.000 0.951 524 R CB -0.404 29.894 30.300 -0.003 0.000 0.851 524 R HN 0.514 nan 8.270 nan 0.000 0.434 525 N N -0.186 118.533 118.700 0.032 0.000 2.588 525 N HA -0.127 4.616 4.740 0.006 0.000 0.190 525 N C 0.875 176.423 175.510 0.062 0.000 1.094 525 N CA 0.632 53.700 53.050 0.030 0.000 0.921 525 N CB 0.067 38.568 38.487 0.023 0.000 0.959 525 N HN 0.169 nan 8.380 nan 0.000 0.448 526 L N -0.701 120.587 121.223 0.109 0.000 2.286 526 L HA 0.321 4.665 4.340 0.006 0.000 0.203 526 L C 1.989 179.024 176.870 0.276 0.000 1.068 526 L CA 0.618 55.588 54.840 0.217 0.000 0.811 526 L CB -0.777 41.394 42.059 0.186 0.000 0.989 526 L HN 0.047 nan 8.230 nan 0.000 0.467 527 A N -0.435 122.485 122.820 0.167 0.000 1.898 527 A HA -0.177 4.147 4.320 0.006 0.000 0.216 527 A C 2.368 180.016 177.584 0.106 0.000 1.181 527 A CA 1.387 53.513 52.037 0.149 0.000 0.620 527 A CB -0.417 18.640 19.000 0.095 0.000 0.819 527 A HN 0.340 nan 8.150 nan 0.000 0.442 528 R N -1.054 119.477 120.500 0.051 0.000 2.091 528 R HA -0.144 4.200 4.340 0.006 0.000 0.238 528 R C 2.241 178.508 176.300 -0.056 0.000 1.136 528 R CA 1.645 57.746 56.100 0.001 0.000 0.959 528 R CB -0.242 30.050 30.300 -0.014 0.000 0.856 528 R HN 0.395 nan 8.270 nan 0.000 0.437 529 R N -0.110 120.317 120.500 -0.121 0.000 2.323 529 R HA -0.009 4.335 4.340 0.006 0.000 0.198 529 R C 0.401 176.274 176.300 -0.711 0.000 0.988 529 R CA 1.144 56.997 56.100 -0.412 0.000 1.041 529 R CB 0.120 30.101 30.300 -0.532 0.000 0.926 529 R HN 0.198 nan 8.270 nan 0.000 0.476 530 F N -3.153 116.805 119.950 0.012 0.000 2.925 530 F HA 0.323 4.854 4.527 0.006 0.000 0.359 530 F C 1.720 177.530 175.800 0.016 0.000 1.038 530 F CA 0.132 58.141 58.000 0.015 0.000 1.130 530 F CB 0.730 39.742 39.000 0.019 0.000 1.093 530 F HN 0.111 nan 8.300 nan 0.000 0.561 531 G N 1.120 110.012 108.800 0.152 0.000 2.693 531 G HA2 -0.351 3.612 3.960 0.006 0.000 0.240 531 G HA3 -0.351 3.612 3.960 0.006 0.000 0.240 531 G C 0.472 175.433 174.900 0.102 0.000 1.102 531 G CA 1.209 46.368 45.100 0.098 0.000 0.694 531 G HN 0.613 nan 8.290 nan 0.000 0.531 532 T N -4.304 110.327 114.554 0.128 0.000 2.923 532 T HA 0.610 4.964 4.350 0.006 0.000 0.311 532 T C 0.804 175.552 174.700 0.079 0.000 1.183 532 T CA 0.382 62.535 62.100 0.088 0.000 1.020 532 T CB 1.726 70.632 68.868 0.063 0.000 1.165 532 T HN 0.482 nan 8.240 nan 0.000 0.482 533 M N 1.860 121.492 119.600 0.053 0.000 2.088 533 M HA -0.095 4.389 4.480 0.006 0.000 0.256 533 M C 1.257 177.570 176.300 0.022 0.000 1.071 533 M CA 2.285 57.609 55.300 0.040 0.000 1.097 533 M CB -1.348 31.273 32.600 0.035 0.000 1.315 533 M HN 0.856 nan 8.290 nan 0.000 0.406 534 D N -0.817 119.599 120.400 0.026 0.000 2.127 534 D HA -0.249 4.394 4.640 0.006 0.000 0.190 534 D C 1.977 178.287 176.300 0.017 0.000 1.000 534 D CA 2.053 56.065 54.000 0.021 0.000 0.839 534 D CB -0.380 40.434 40.800 0.024 0.000 0.955 534 D HN 0.247 nan 8.370 nan 0.000 0.446 535 R N 0.440 120.969 120.500 0.048 0.000 2.122 535 R HA -0.150 4.194 4.340 0.006 0.000 0.236 535 R C 2.113 178.393 176.300 -0.033 0.000 1.129 535 R CA 1.150 57.301 56.100 0.085 0.000 0.925 535 R CB -1.220 29.202 30.300 0.202 0.000 0.850 535 R HN 0.257 nan 8.270 nan 0.000 0.431 536 L N 0.638 121.752 121.223 -0.183 0.000 2.021 536 L HA -0.160 4.183 4.340 0.006 0.000 0.215 536 L C 2.081 178.727 176.870 -0.374 0.000 1.074 536 L CA 1.871 56.324 54.840 -0.646 0.000 0.760 536 L CB -0.780 41.001 42.059 -0.463 0.000 0.889 536 L HN 0.390 nan 8.230 nan 0.000 0.433 537 L N -0.674 120.458 121.223 -0.151 0.000 2.349 537 L HA -0.161 4.182 4.340 0.006 0.000 0.220 537 L C 1.680 178.506 176.870 -0.073 0.000 1.130 537 L CA 0.858 55.656 54.840 -0.070 0.000 0.791 537 L CB -0.398 41.667 42.059 0.011 0.000 0.918 537 L HN 0.375 nan 8.230 nan 0.000 0.444 538 E N -0.302 119.849 120.200 -0.081 0.000 2.548 538 E HA 0.235 4.589 4.350 0.006 0.000 0.206 538 E C 0.543 177.118 176.600 -0.041 0.000 1.005 538 E CA -0.056 56.322 56.400 -0.037 0.000 0.951 538 E CB 0.461 30.163 29.700 0.004 0.000 1.035 538 E HN 0.264 nan 8.360 nan 0.000 0.470 539 A N 1.405 124.141 122.820 -0.141 0.000 2.448 539 A HA 0.287 4.610 4.320 0.006 0.000 0.239 539 A C 0.722 178.292 177.584 -0.023 0.000 1.080 539 A CA 0.072 52.042 52.037 -0.112 0.000 0.779 539 A CB 0.314 19.059 19.000 -0.424 0.000 1.026 539 A HN 0.172 nan 8.150 nan 0.000 0.499 540 S N 0.431 116.161 115.700 0.050 0.000 2.689 540 S HA 0.512 4.986 4.470 0.006 0.000 0.306 540 S C 0.753 175.376 174.600 0.038 0.000 1.104 540 S CA -0.463 57.758 58.200 0.034 0.000 0.973 540 S CB 1.009 64.237 63.200 0.047 0.000 1.121 540 S HN 0.929 nan 8.310 nan 0.000 0.523 541 L N 1.463 122.697 121.223 0.019 0.000 1.971 541 L HA -0.083 4.261 4.340 0.006 0.000 0.215 541 L C 2.249 179.139 176.870 0.034 0.000 1.072 541 L CA 2.268 57.118 54.840 0.016 0.000 0.758 541 L CB -1.631 40.432 42.059 0.006 0.000 0.889 541 L HN 0.890 nan 8.230 nan 0.000 0.433 542 E N 0.022 120.242 120.200 0.034 0.000 2.035 542 E HA -0.272 4.081 4.350 0.006 0.000 0.204 542 E C 2.090 178.724 176.600 0.057 0.000 1.025 542 E CA 1.977 58.398 56.400 0.036 0.000 0.835 542 E CB -0.499 29.218 29.700 0.029 0.000 0.764 542 E HN 0.570 nan 8.360 nan 0.000 0.457 543 E N 0.128 120.380 120.200 0.086 0.000 2.147 543 E HA -0.233 4.121 4.350 0.006 0.000 0.199 543 E C 2.087 178.800 176.600 0.189 0.000 1.005 543 E CA 1.133 57.615 56.400 0.138 0.000 0.810 543 E CB -0.222 29.620 29.700 0.236 0.000 0.736 543 E HN 0.215 nan 8.360 nan 0.000 0.460 544 L N 0.200 121.527 121.223 0.173 0.000 2.044 544 L HA -0.165 4.178 4.340 0.006 0.000 0.205 544 L C 2.395 179.321 176.870 0.093 0.000 1.075 544 L CA 0.691 55.628 54.840 0.162 0.000 0.747 544 L CB -0.322 41.787 42.059 0.083 0.000 0.903 544 L HN 0.159 nan 8.230 nan 0.000 0.435 545 L N -0.226 121.031 121.223 0.057 0.000 1.990 545 L HA -0.252 4.092 4.340 0.006 0.000 0.213 545 L C 2.291 179.179 176.870 0.029 0.000 1.072 545 L CA 1.480 56.340 54.840 0.034 0.000 0.755 545 L CB -0.810 41.262 42.059 0.022 0.000 0.889 545 L HN 0.310 nan 8.230 nan 0.000 0.432 546 E N -0.161 120.055 120.200 0.027 0.000 2.483 546 E HA -0.136 4.217 4.350 0.006 0.000 0.205 546 E C 0.255 176.855 176.600 -0.000 0.000 1.075 546 E CA 0.189 56.594 56.400 0.007 0.000 0.889 546 E CB -0.345 29.352 29.700 -0.004 0.000 0.816 546 E HN 0.288 nan 8.360 nan 0.000 0.567 547 V N 1.577 121.502 119.914 0.019 0.000 2.644 547 V HA 0.019 4.143 4.120 0.006 0.000 0.295 547 V C 0.508 176.610 176.094 0.014 0.000 1.053 547 V CA -0.611 61.698 62.300 0.015 0.000 0.987 547 V CB 1.568 33.424 31.823 0.055 0.000 1.006 547 V HN 0.097 nan 8.190 nan 0.000 0.472 548 E N 3.293 123.496 120.200 0.005 0.000 2.406 548 E HA -0.010 4.344 4.350 0.006 0.000 0.247 548 E C 0.307 176.913 176.600 0.011 0.000 1.160 548 E CA 0.606 57.009 56.400 0.004 0.000 0.950 548 E CB -0.247 29.451 29.700 -0.002 0.000 0.993 548 E HN 0.780 nan 8.360 nan 0.000 0.472 549 E N 0.870 121.076 120.200 0.010 0.000 4.157 549 E HA -0.152 4.201 4.350 0.006 0.000 0.351 549 E C -0.828 175.782 176.600 0.016 0.000 0.691 549 E CA 0.367 56.774 56.400 0.012 0.000 1.380 549 E CB -1.030 28.677 29.700 0.011 0.000 1.727 549 E HN 0.286 nan 8.360 nan 0.000 0.402 550 V N 1.582 121.508 119.914 0.020 0.000 2.353 550 V HA 0.457 4.580 4.120 0.006 0.000 0.264 550 V C 1.000 177.103 176.094 0.015 0.000 1.049 550 V CA 0.426 62.740 62.300 0.022 0.000 0.896 550 V CB 1.144 32.990 31.823 0.038 0.000 1.025 550 V HN 0.260 nan 8.190 nan 0.000 0.475 551 G N 2.639 111.443 108.800 0.008 0.000 2.504 551 G HA2 0.294 4.258 3.960 0.006 0.000 0.288 551 G HA3 0.294 4.258 3.960 0.006 0.000 0.288 551 G C 0.706 175.606 174.900 0.000 0.000 1.182 551 G CA -0.223 44.879 45.100 0.003 0.000 0.894 551 G HN 0.743 nan 8.290 nan 0.000 0.521 552 E N 0.055 120.253 120.200 -0.002 0.000 2.130 552 E HA -0.203 4.151 4.350 0.006 0.000 0.196 552 E C 2.221 178.814 176.600 -0.012 0.000 0.998 552 E CA 0.989 57.386 56.400 -0.005 0.000 0.806 552 E CB -0.035 29.661 29.700 -0.006 0.000 0.738 552 E HN 0.349 nan 8.360 nan 0.000 0.459 553 L N 0.720 121.934 121.223 -0.014 0.000 2.056 553 L HA -0.135 4.208 4.340 0.006 0.000 0.207 553 L C 2.599 179.454 176.870 -0.026 0.000 1.078 553 L CA 2.370 57.196 54.840 -0.022 0.000 0.749 553 L CB -0.609 41.436 42.059 -0.023 0.000 0.901 553 L HN 0.322 nan 8.230 nan 0.000 0.433 554 T N -3.915 110.627 114.554 -0.019 0.000 2.978 554 T HA 0.069 4.423 4.350 0.006 0.000 0.262 554 T C 1.901 176.586 174.700 -0.025 0.000 1.063 554 T CA 0.617 62.703 62.100 -0.022 0.000 1.140 554 T CB -0.611 68.250 68.868 -0.011 0.000 0.886 554 T HN 0.272 nan 8.240 nan 0.000 0.470 555 A N 2.412 125.224 122.820 -0.015 0.000 1.865 555 A HA -0.070 4.253 4.320 0.006 0.000 0.217 555 A C 2.475 180.042 177.584 -0.029 0.000 1.191 555 A CA 1.782 53.811 52.037 -0.013 0.000 0.623 555 A CB -0.857 18.144 19.000 0.002 0.000 0.826 555 A HN 0.493 nan 8.150 nan 0.000 0.444 556 R N -0.560 119.923 120.500 -0.028 0.000 2.293 556 R HA -0.029 4.315 4.340 0.006 0.000 0.219 556 R C 1.972 178.243 176.300 -0.048 0.000 1.091 556 R CA 1.095 57.175 56.100 -0.034 0.000 1.004 556 R CB -0.279 30.005 30.300 -0.028 0.000 0.865 556 R HN 0.514 nan 8.270 nan 0.000 0.469 557 A N 0.822 123.610 122.820 -0.054 0.000 1.844 557 A HA -0.002 4.321 4.320 0.006 0.000 0.212 557 A C 2.001 179.529 177.584 -0.095 0.000 1.221 557 A CA 0.700 52.695 52.037 -0.069 0.000 0.607 557 A CB -0.411 18.551 19.000 -0.064 0.000 0.878 557 A HN 0.266 nan 8.150 nan 0.000 0.451 558 I N -0.345 120.166 120.570 -0.098 0.000 2.236 558 I HA -0.290 3.883 4.170 0.006 0.000 0.249 558 I C 2.455 178.473 176.117 -0.165 0.000 1.102 558 I CA 1.467 62.681 61.300 -0.143 0.000 1.365 558 I CB -0.333 37.600 38.000 -0.112 0.000 1.051 558 I HN 0.358 nan 8.210 nan 0.000 0.420 559 L N 0.775 121.930 121.223 -0.114 0.000 2.127 559 L HA -0.226 4.118 4.340 0.006 0.000 0.211 559 L C 2.294 179.104 176.870 -0.100 0.000 1.089 559 L CA 1.883 56.662 54.840 -0.102 0.000 0.757 559 L CB -0.384 41.637 42.059 -0.063 0.000 0.899 559 L HN 0.119 nan 8.230 nan 0.000 0.434 560 E N -1.641 118.503 120.200 -0.094 0.000 2.170 560 E HA -0.088 4.265 4.350 0.006 0.000 0.191 560 E C 2.055 178.601 176.600 -0.090 0.000 0.981 560 E CA 1.185 57.544 56.400 -0.069 0.000 0.830 560 E CB -0.074 29.598 29.700 -0.046 0.000 0.775 560 E HN 0.381 nan 8.360 nan 0.000 0.470 561 T N 0.934 115.389 114.554 -0.166 0.000 2.643 561 T HA -0.114 4.239 4.350 0.006 0.000 0.264 561 T C 1.788 176.284 174.700 -0.340 0.000 1.045 561 T CA 1.351 63.303 62.100 -0.247 0.000 1.155 561 T CB -0.340 68.296 68.868 -0.388 0.000 0.863 561 T HN 0.124 nan 8.240 nan 0.000 0.420 562 L N 0.514 121.472 121.223 -0.442 0.000 2.089 562 L HA -0.209 4.135 4.340 0.006 0.000 0.213 562 L C 2.495 179.326 176.870 -0.064 0.000 1.079 562 L CA 1.616 56.244 54.840 -0.353 0.000 0.758 562 L CB -0.566 41.340 42.059 -0.255 0.000 0.891 562 L HN 0.271 nan 8.230 nan 0.000 0.433 563 K N -0.841 119.527 120.400 -0.053 0.000 2.365 563 K HA -0.040 4.284 4.320 0.006 0.000 0.197 563 K C 0.535 177.167 176.600 0.052 0.000 1.042 563 K CA -0.103 56.189 56.287 0.008 0.000 0.987 563 K CB -0.105 32.390 32.500 -0.008 0.000 0.779 563 K HN 0.164 nan 8.250 nan 0.000 0.484 564 D N 1.822 122.264 120.400 0.070 0.000 2.487 564 D HA -0.035 4.609 4.640 0.006 0.000 0.243 564 D C -1.458 174.932 176.300 0.149 0.000 1.154 564 D CA -1.653 52.426 54.000 0.131 0.000 0.876 564 D CB 1.207 42.116 40.800 0.180 0.000 1.161 564 D HN -0.036 nan 8.370 nan 0.000 0.478 565 P HA -0.195 nan 4.420 nan 0.000 0.216 565 P C 1.021 178.375 177.300 0.089 0.000 1.150 565 P CA 1.393 64.539 63.100 0.076 0.000 0.837 565 P CB 0.118 31.839 31.700 0.036 0.000 0.786 566 A N -0.301 122.589 122.820 0.117 0.000 1.883 566 A HA -0.213 4.111 4.320 0.006 0.000 0.217 566 A C 2.212 179.857 177.584 0.102 0.000 1.186 566 A CA 1.655 53.755 52.037 0.105 0.000 0.624 566 A CB -1.882 17.205 19.000 0.145 0.000 0.822 566 A HN 0.144 nan 8.150 nan 0.000 0.444 567 F N 0.513 120.478 119.950 0.024 0.000 2.069 567 F HA -0.208 4.323 4.527 0.006 0.000 0.298 567 F C 2.487 178.286 175.800 -0.002 0.000 1.113 567 F CA 1.969 59.973 58.000 0.007 0.000 1.214 567 F CB -0.159 38.843 39.000 0.003 0.000 0.978 567 F HN 0.051 nan 8.300 nan 0.000 0.474 568 R N 0.865 121.453 120.500 0.147 0.000 2.115 568 R HA -0.254 4.090 4.340 0.006 0.000 0.239 568 R C 2.206 178.462 176.300 -0.074 0.000 1.133 568 R CA 1.850 57.974 56.100 0.040 0.000 0.935 568 R CB -1.721 28.621 30.300 0.069 0.000 0.853 568 R HN 0.468 nan 8.270 nan 0.000 0.433 569 D N 0.526 120.902 120.400 -0.041 0.000 2.127 569 D HA -0.217 4.427 4.640 0.006 0.000 0.190 569 D C 1.992 178.224 176.300 -0.112 0.000 1.000 569 D CA 1.741 55.707 54.000 -0.056 0.000 0.839 569 D CB -0.010 40.776 40.800 -0.024 0.000 0.955 569 D HN 0.061 nan 8.370 nan 0.000 0.446 570 L N 0.798 121.925 121.223 -0.160 0.000 2.043 570 L HA -0.176 4.167 4.340 0.006 0.000 0.212 570 L C 2.526 179.228 176.870 -0.281 0.000 1.075 570 L CA 1.408 56.118 54.840 -0.215 0.000 0.752 570 L CB -0.666 41.241 42.059 -0.254 0.000 0.891 570 L HN -0.021 nan 8.230 nan 0.000 0.432 571 V N -0.209 119.471 119.914 -0.391 0.000 2.261 571 V HA -0.297 3.827 4.120 0.006 0.000 0.246 571 V C 2.760 178.736 176.094 -0.197 0.000 1.047 571 V CA 2.138 64.231 62.300 -0.346 0.000 1.015 571 V CB -0.637 30.951 31.823 -0.391 0.000 0.642 571 V HN 0.514 nan 8.190 nan 0.000 0.446 572 R N -0.088 120.325 120.500 -0.146 0.000 2.115 572 R HA -0.217 4.126 4.340 0.006 0.000 0.239 572 R C 2.550 178.794 176.300 -0.094 0.000 1.133 572 R CA 2.127 58.171 56.100 -0.093 0.000 0.935 572 R CB -0.323 29.940 30.300 -0.062 0.000 0.853 572 R HN 0.393 nan 8.270 nan 0.000 0.433 573 R N 0.070 120.517 120.500 -0.088 0.000 2.170 573 R HA -0.175 4.169 4.340 0.006 0.000 0.242 573 R C 2.272 178.499 176.300 -0.122 0.000 1.145 573 R CA 1.341 57.404 56.100 -0.061 0.000 0.984 573 R CB -0.275 30.005 30.300 -0.033 0.000 0.869 573 R HN 0.302 nan 8.270 nan 0.000 0.455 574 L N 0.204 121.314 121.223 -0.189 0.000 2.127 574 L HA -0.095 4.248 4.340 0.006 0.000 0.203 574 L C 2.528 179.237 176.870 -0.268 0.000 1.080 574 L CA 1.127 55.792 54.840 -0.292 0.000 0.768 574 L CB -0.267 41.629 42.059 -0.272 0.000 0.924 574 L HN 0.056 nan 8.230 nan 0.000 0.444 575 K N 0.704 120.999 120.400 -0.175 0.000 2.002 575 K HA -0.211 4.112 4.320 0.006 0.000 0.209 575 K C 1.633 178.164 176.600 -0.115 0.000 1.048 575 K CA 1.608 57.816 56.287 -0.131 0.000 0.930 575 K CB -0.070 32.378 32.500 -0.086 0.000 0.714 575 K HN 0.244 nan 8.250 nan 0.000 0.438 576 E N -0.628 119.520 120.200 -0.087 0.000 2.533 576 E HA -0.132 4.221 4.350 0.006 0.000 0.203 576 E C 0.623 177.199 176.600 -0.041 0.000 1.101 576 E CA 0.377 56.749 56.400 -0.046 0.000 0.894 576 E CB 0.112 29.801 29.700 -0.018 0.000 0.843 576 E HN 0.419 nan 8.360 nan 0.000 0.552 577 A N -0.632 122.116 122.820 -0.121 0.000 2.508 577 A HA 0.439 4.762 4.320 0.006 0.000 0.250 577 A C 1.382 178.867 177.584 -0.165 0.000 1.208 577 A CA 0.355 52.305 52.037 -0.144 0.000 0.960 577 A CB 0.481 19.285 19.000 -0.327 0.000 1.099 577 A HN 0.241 nan 8.150 nan 0.000 0.542 578 G N -0.942 107.766 108.800 -0.152 0.000 2.141 578 G HA2 -0.169 3.794 3.960 0.006 0.000 0.231 578 G HA3 -0.169 3.794 3.960 0.006 0.000 0.231 578 G C 0.115 174.899 174.900 -0.192 0.000 0.984 578 G CA 0.005 45.026 45.100 -0.131 0.000 0.660 578 G HN 0.810 nan 8.290 nan 0.000 0.525 579 V N 1.680 121.436 119.914 -0.263 0.000 2.439 579 V HA 0.487 4.610 4.120 0.006 0.000 0.271 579 V C 1.346 177.357 176.094 -0.138 0.000 1.040 579 V CA 0.598 62.750 62.300 -0.246 0.000 1.002 579 V CB 1.327 32.959 31.823 -0.318 0.000 1.000 579 V HN 0.559 nan 8.190 nan 0.000 0.477 580 S N 6.040 121.682 115.700 -0.097 0.000 2.549 580 S HA 0.186 4.659 4.470 0.006 0.000 0.286 580 S C 0.706 175.293 174.600 -0.022 0.000 1.314 580 S CA -0.309 57.870 58.200 -0.035 0.000 1.062 580 S CB 0.122 63.330 63.200 0.013 0.000 0.865 580 S HN 0.649 nan 8.310 nan 0.000 0.498 581 M N 3.637 123.231 119.600 -0.010 0.000 2.673 581 M HA 0.299 4.782 4.480 0.006 0.000 0.334 581 M C -0.175 176.141 176.300 0.027 0.000 1.211 581 M CA 0.161 55.463 55.300 0.004 0.000 0.962 581 M CB -0.485 32.112 32.600 -0.004 0.000 1.343 581 M HN 0.615 nan 8.290 nan 0.000 0.511 582 E N 0.241 120.459 120.200 0.030 0.000 2.339 582 E HA 0.438 4.791 4.350 0.006 0.000 0.262 582 E C -0.459 176.167 176.600 0.042 0.000 0.934 582 E CA -0.727 55.697 56.400 0.040 0.000 0.802 582 E CB 1.451 31.173 29.700 0.035 0.000 1.275 582 E HN -0.011 nan 8.360 nan 0.000 0.427 583 S N 1.126 116.852 115.700 0.044 0.000 2.531 583 S HA 0.062 4.535 4.470 0.006 0.000 0.279 583 S C 0.143 174.761 174.600 0.031 0.000 1.305 583 S CA -0.257 57.966 58.200 0.039 0.000 1.058 583 S CB 0.547 63.769 63.200 0.036 0.000 0.899 583 S HN 0.343 nan 8.310 nan 0.000 0.493 584 K N 0.000 120.417 120.400 0.028 0.000 2.780 584 K HA 0.000 4.324 4.320 0.006 0.000 0.191 584 K CA 0.000 56.302 56.287 0.025 0.000 0.838 584 K CB 0.000 32.515 32.500 0.025 0.000 1.064 584 K HN 0.000 nan 8.250 nan 0.000 0.543