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 3hig_1_A DATA FIRST_RESID 27 DATA SEQUENCE PRKAGVFSDL SNQELKAVHS FLWSKKELRL QPSSTTTMAK NTVFLIEMLL DATA SEQUENCE PKKYHVLRFL DKGERHPVRE ARAVIFFGDQ EHPNVTEFAV GPLPGPCYMR DATA SEQUENCE ALSPRPGYQS SWASRPISTA EYALLYHTLQ EATKPLHQFF LNTTGFSFQD DATA SEQUENCE cHDRcLAFTD VAPRGVASGQ RRSWLIIQRY VEGYFLHPTG LELLVDHGST DATA SEQUENCE DAGHWAVEQV WYNGKFYGSP EELARKYADG EVDVVVLEDP LXXXXXXXXX DATA SEQUENCE XEPPLFSSHK PRGDFPSPIH VSGPRLVQPH GPRFRLEGNA VLYGGWSFAF DATA SEQUENCE RLRSSSGLQV LNVHFGGERI AYEVSVQEAV ALYGGHTPAG MQTKYLDVGW DATA SEQUENCE GLGSVTHELA PGIDcPETAT FLDTFHYYDA DDPVHYPRAL cLFEMPTGVP DATA SEQUENCE LRRHFNSNFK GGFNFYAGLK GQVLVLRTTS TVYNXDYIWD FIFYPNGVME DATA SEQUENCE AKMHATGYVH ATFYTPEGLR HGTRLHTHLI GNIHTHLVHY RVDLDVAGTK DATA SEQUENCE NSFQTLQMKL ENITNPWSPR HRVVQPTLEQ TQYSWERQAA FRFKRKLPKY DATA SEQUENCE LLFTSPQENP WGHKRSYRLQ IHSMADQVLP PGWQEEQAIT WARYPLAVTK DATA SEQUENCE YRESELCSSS IYHQNDPWDP PVVFEQFLHN NENIENEDLV AWVTVGFLHI DATA SEQUENCE PHSEDIPNTA TPGNSVGFLL RPFNFFPEDP SLASRDTVIV WPRDNGPNYV DATA SEQUENCE QRWIPEDRDC SMPPPFSYNG TYRPV 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 27 P HA 0.000 nan 4.420 nan 0.000 0.216 27 P C 0.000 177.303 177.300 0.004 0.000 1.155 27 P CA 0.000 63.086 63.100 -0.023 0.000 0.800 27 P CB 0.000 31.685 31.700 -0.024 0.000 0.726 28 R N 1.592 122.105 120.500 0.022 0.000 2.127 28 R HA -0.090 4.252 4.340 0.003 0.000 0.238 28 R C 1.938 178.311 176.300 0.121 0.000 1.134 28 R CA 2.264 58.403 56.100 0.064 0.000 0.975 28 R CB -1.312 29.032 30.300 0.073 0.000 0.865 28 R HN 0.391 nan 8.270 nan 0.000 0.447 29 K N -0.146 120.303 120.400 0.082 0.000 2.148 29 K HA 0.064 4.386 4.320 0.003 0.000 0.204 29 K C 2.525 179.184 176.600 0.098 0.000 1.050 29 K CA 0.967 57.313 56.287 0.100 0.000 0.942 29 K CB -0.160 32.232 32.500 -0.180 0.000 0.724 29 K HN 0.451 nan 8.250 nan 0.000 0.446 30 A N 1.304 124.171 122.820 0.079 0.000 2.070 30 A HA -0.090 4.232 4.320 0.003 0.000 0.220 30 A C 2.294 179.936 177.584 0.096 0.000 1.159 30 A CA 1.648 53.771 52.037 0.144 0.000 0.656 30 A CB -0.972 18.068 19.000 0.066 0.000 0.800 30 A HN 0.421 nan 8.150 nan 0.000 0.453 31 G N -0.625 108.217 108.800 0.071 0.000 2.485 31 G HA2 -0.187 3.775 3.960 0.003 0.000 0.221 31 G HA3 -0.187 3.775 3.960 0.003 0.000 0.221 31 G C 1.518 176.446 174.900 0.048 0.000 1.115 31 G CA 1.102 46.244 45.100 0.069 0.000 0.751 31 G HN 0.522 nan 8.290 nan 0.000 0.567 32 V N -0.194 119.677 119.914 -0.072 0.000 2.594 32 V HA -0.039 4.084 4.120 0.003 0.000 0.253 32 V C 2.092 178.018 176.094 -0.281 0.000 1.069 32 V CA 1.496 63.625 62.300 -0.284 0.000 1.082 32 V CB -0.412 31.033 31.823 -0.630 0.000 0.680 32 V HN 0.341 nan 8.190 nan 0.000 0.469 33 F N 0.807 120.771 119.950 0.023 0.000 2.776 33 F HA 0.293 4.822 4.527 0.004 0.000 0.300 33 F C 1.544 177.331 175.800 -0.022 0.000 1.116 33 F CA 0.242 58.238 58.000 -0.008 0.000 1.375 33 F CB -0.707 38.262 39.000 -0.052 0.000 1.109 33 F HN 0.210 nan 8.300 nan 0.000 0.585 34 S N -0.012 115.753 115.700 0.108 0.000 2.564 34 S HA 0.117 4.589 4.470 0.003 0.000 0.278 34 S C 0.013 174.651 174.600 0.064 0.000 1.333 34 S CA -1.069 57.158 58.200 0.045 0.000 1.048 34 S CB 0.749 63.954 63.200 0.008 0.000 0.900 34 S HN 0.048 nan 8.310 nan 0.000 0.505 35 D N 1.358 121.797 120.400 0.066 0.000 2.390 35 D HA 0.119 4.761 4.640 0.003 0.000 0.236 35 D C 0.412 176.751 176.300 0.065 0.000 1.189 35 D CA 0.112 54.162 54.000 0.084 0.000 0.887 35 D CB 0.306 41.167 40.800 0.101 0.000 1.198 35 D HN 0.535 nan 8.370 nan 0.000 0.444 36 L N 1.232 122.496 121.223 0.070 0.000 2.453 36 L HA 0.029 4.371 4.340 0.003 0.000 0.272 36 L C 1.264 178.148 176.870 0.024 0.000 1.182 36 L CA -0.265 54.598 54.840 0.039 0.000 0.858 36 L CB 0.328 42.413 42.059 0.044 0.000 1.120 36 L HN 0.375 nan 8.230 nan 0.000 0.474 37 S N 1.385 117.070 115.700 -0.026 0.000 2.600 37 S HA 0.004 4.476 4.470 0.003 0.000 0.265 37 S C 0.939 175.406 174.600 -0.221 0.000 1.325 37 S CA -0.471 57.673 58.200 -0.094 0.000 1.002 37 S CB 0.932 64.074 63.200 -0.095 0.000 0.921 37 S HN 0.697 nan 8.310 nan 0.000 0.554 38 N N 1.597 119.971 118.700 -0.542 0.000 2.060 38 N HA -0.226 4.516 4.740 0.003 0.000 0.195 38 N C 2.416 177.720 175.510 -0.344 0.000 1.028 38 N CA 2.587 55.172 53.050 -0.775 0.000 0.861 38 N CB -1.130 36.507 38.487 -1.418 0.000 1.029 38 N HN 0.856 nan 8.380 nan 0.000 0.428 39 Q N 0.515 120.166 119.800 -0.249 0.000 2.050 39 Q HA -0.119 4.223 4.340 0.003 0.000 0.202 39 Q C 2.123 178.061 176.000 -0.105 0.000 0.980 39 Q CA 1.932 57.649 55.803 -0.145 0.000 0.840 39 Q CB -1.029 27.643 28.738 -0.111 0.000 0.898 39 Q HN 0.748 nan 8.270 nan 0.000 0.424 40 E N 0.153 120.293 120.200 -0.098 0.000 2.106 40 E HA -0.041 4.311 4.350 0.003 0.000 0.192 40 E C 2.182 178.749 176.600 -0.056 0.000 0.984 40 E CA 0.991 57.349 56.400 -0.070 0.000 0.806 40 E CB -0.132 29.534 29.700 -0.057 0.000 0.750 40 E HN 0.599 nan 8.360 nan 0.000 0.458 41 L N 0.939 122.125 121.223 -0.061 0.000 2.046 41 L HA -0.203 4.139 4.340 0.003 0.000 0.208 41 L C 2.377 179.216 176.870 -0.053 0.000 1.077 41 L CA 1.285 56.097 54.840 -0.047 0.000 0.747 41 L CB -0.281 41.776 42.059 -0.002 0.000 0.896 41 L HN 0.030 nan 8.230 nan 0.000 0.432 42 K N -0.069 120.297 120.400 -0.057 0.000 2.057 42 K HA -0.145 4.177 4.320 0.003 0.000 0.207 42 K C 2.223 178.838 176.600 0.025 0.000 1.049 42 K CA 1.352 57.620 56.287 -0.031 0.000 0.931 42 K CB -0.243 32.224 32.500 -0.055 0.000 0.714 42 K HN 0.291 nan 8.250 nan 0.000 0.440 43 A N 0.856 123.676 122.820 -0.000 0.000 1.930 43 A HA -0.103 4.219 4.320 0.003 0.000 0.217 43 A C 2.337 179.954 177.584 0.055 0.000 1.175 43 A CA 1.251 53.298 52.037 0.016 0.000 0.627 43 A CB -0.520 18.462 19.000 -0.030 0.000 0.815 43 A HN 0.063 nan 8.150 nan 0.000 0.443 44 V N -0.341 119.593 119.914 0.033 0.000 2.307 44 V HA -0.256 3.866 4.120 0.003 0.000 0.245 44 V C 2.527 178.703 176.094 0.137 0.000 1.045 44 V CA 2.094 64.432 62.300 0.064 0.000 1.024 44 V CB -0.967 30.863 31.823 0.012 0.000 0.651 44 V HN 0.784 nan 8.190 nan 0.000 0.449 45 H N 0.086 119.143 119.070 -0.022 0.000 2.352 45 H HA -0.175 4.383 4.556 0.003 0.000 0.299 45 H C 2.616 178.029 175.328 0.142 0.000 1.097 45 H CA 2.124 58.176 56.048 0.007 0.000 1.311 45 H CB -0.004 29.680 29.762 -0.130 0.000 1.377 45 H HN 0.493 nan 8.280 nan 0.000 0.504 46 S N -0.066 115.749 115.700 0.190 0.000 2.356 46 S HA -0.190 4.282 4.470 0.003 0.000 0.223 46 S C 2.186 176.890 174.600 0.173 0.000 1.032 46 S CA 1.252 59.548 58.200 0.161 0.000 1.005 46 S CB -0.892 62.383 63.200 0.124 0.000 0.867 46 S HN 0.457 nan 8.310 nan 0.000 0.449 47 F N 2.258 122.223 119.950 0.025 0.000 2.091 47 F HA -0.046 4.483 4.527 0.004 0.000 0.299 47 F C 1.907 177.702 175.800 -0.008 0.000 1.103 47 F CA 1.746 59.745 58.000 -0.002 0.000 1.228 47 F CB -0.568 38.409 39.000 -0.038 0.000 0.984 47 F HN 0.222 nan 8.300 nan 0.000 0.477 48 L N -1.531 119.660 121.223 -0.052 0.000 2.017 48 L HA -0.249 4.093 4.340 0.003 0.000 0.208 48 L C 2.337 179.077 176.870 -0.216 0.000 1.073 48 L CA 1.594 56.313 54.840 -0.202 0.000 0.745 48 L CB -1.028 40.984 42.059 -0.078 0.000 0.894 48 L HN 0.252 nan 8.230 nan 0.000 0.432 49 W N 0.392 121.526 121.300 -0.277 0.000 2.392 49 W HA -0.183 4.479 4.660 0.003 0.000 0.279 49 W C 3.009 179.434 176.519 -0.158 0.000 1.225 49 W CA 1.589 58.809 57.345 -0.209 0.000 1.233 49 W CB -0.459 28.889 29.460 -0.187 0.000 1.122 49 W HN 0.263 nan 8.180 nan 0.000 0.561 50 S N -0.470 115.224 115.700 -0.010 0.000 2.481 50 S HA -0.030 4.442 4.470 0.003 0.000 0.231 50 S C 0.888 175.397 174.600 -0.153 0.000 0.996 50 S CA 0.513 58.679 58.200 -0.057 0.000 0.942 50 S CB -0.253 62.916 63.200 -0.052 0.000 0.768 50 S HN -0.103 nan 8.310 nan 0.000 0.520 51 K N 2.074 122.317 120.400 -0.262 0.000 2.127 51 K HA 0.291 4.613 4.320 0.003 0.000 0.261 51 K C 0.184 176.670 176.600 -0.190 0.000 1.129 51 K CA -0.143 55.994 56.287 -0.251 0.000 0.993 51 K CB 0.964 33.263 32.500 -0.334 0.000 1.410 51 K HN 0.073 nan 8.250 nan 0.000 0.380 52 K N 1.637 121.958 120.400 -0.132 0.000 2.209 52 K HA -0.171 4.151 4.320 0.003 0.000 0.204 52 K C 1.684 178.221 176.600 -0.106 0.000 1.048 52 K CA 1.110 57.329 56.287 -0.113 0.000 0.940 52 K CB 0.135 32.595 32.500 -0.067 0.000 0.729 52 K HN 0.551 nan 8.250 nan 0.000 0.451 53 E N 0.776 120.920 120.200 -0.093 0.000 2.265 53 E HA -0.196 4.156 4.350 0.003 0.000 0.196 53 E C 1.517 178.085 176.600 -0.052 0.000 0.996 53 E CA 1.041 57.400 56.400 -0.069 0.000 0.832 53 E CB -0.432 29.231 29.700 -0.063 0.000 0.756 53 E HN 0.341 nan 8.360 nan 0.000 0.491 54 L N 0.015 121.197 121.223 -0.069 0.000 2.395 54 L HA 0.105 4.447 4.340 0.003 0.000 0.218 54 L C 0.773 177.633 176.870 -0.018 0.000 1.130 54 L CA 0.295 55.145 54.840 0.016 0.000 0.826 54 L CB -0.437 41.592 42.059 -0.051 0.000 0.941 54 L HN -0.002 nan 8.230 nan 0.000 0.451 55 R N 0.317 120.747 120.500 -0.117 0.000 3.336 55 R HA -0.151 4.192 4.340 0.003 0.000 0.260 55 R C -0.526 175.659 176.300 -0.192 0.000 1.032 55 R CA 0.151 56.176 56.100 -0.125 0.000 0.693 55 R CB -2.120 28.156 30.300 -0.039 0.000 1.134 55 R HN 0.269 nan 8.270 nan 0.000 0.433 56 L N 1.092 122.064 121.223 -0.418 0.000 2.349 56 L HA 0.184 4.526 4.340 0.003 0.000 0.275 56 L C 0.893 177.443 176.870 -0.532 0.000 1.115 56 L CA 0.279 54.797 54.840 -0.537 0.000 0.820 56 L CB 1.028 42.516 42.059 -0.952 0.000 1.135 56 L HN 0.243 nan 8.230 nan 0.000 0.445 57 Q N 3.537 123.256 119.800 -0.135 0.000 2.416 57 Q HA 0.485 4.827 4.340 0.003 0.000 0.279 57 Q C -2.450 173.756 176.000 0.345 0.000 1.101 57 Q CA -2.049 53.827 55.803 0.121 0.000 0.830 57 Q CB 2.008 30.816 28.738 0.118 0.000 1.402 57 Q HN 0.337 nan 8.270 nan 0.000 0.445 58 P HA 0.057 nan 4.420 nan 0.000 0.271 58 P C -0.125 177.329 177.300 0.257 0.000 1.218 58 P CA 0.211 63.536 63.100 0.375 0.000 0.780 58 P CB 0.743 32.609 31.700 0.277 0.000 0.901 59 S N 1.025 116.859 115.700 0.222 0.000 2.400 59 S HA -0.147 4.325 4.470 0.003 0.000 0.232 59 S C 1.722 176.419 174.600 0.161 0.000 1.025 59 S CA 1.827 60.127 58.200 0.166 0.000 0.993 59 S CB -0.819 62.429 63.200 0.081 0.000 0.808 59 S HN 0.683 nan 8.310 nan 0.000 0.478 60 S N 0.789 116.576 115.700 0.146 0.000 2.555 60 S HA 0.008 4.480 4.470 0.003 0.000 0.230 60 S C 0.678 175.365 174.600 0.144 0.000 0.978 60 S CA 0.101 58.382 58.200 0.136 0.000 0.934 60 S CB -0.672 62.593 63.200 0.108 0.000 0.766 60 S HN 0.309 nan 8.310 nan 0.000 0.533 61 T N 4.028 118.676 114.554 0.157 0.000 2.853 61 T HA 0.226 4.578 4.350 0.003 0.000 0.298 61 T C 0.611 175.399 174.700 0.147 0.000 0.978 61 T CA 0.364 62.551 62.100 0.144 0.000 1.152 61 T CB 0.786 69.743 68.868 0.148 0.000 0.914 61 T HN 0.513 nan 8.240 nan 0.000 0.539 62 T N 0.663 115.295 114.554 0.130 0.000 4.058 62 T HA 0.393 4.745 4.350 0.003 0.000 0.252 62 T C 0.233 174.995 174.700 0.103 0.000 1.264 62 T CA -0.750 61.433 62.100 0.137 0.000 1.094 62 T CB -0.382 68.578 68.868 0.153 0.000 1.316 62 T HN 0.570 nan 8.240 nan 0.000 0.872 63 T N 1.222 115.847 114.554 0.118 0.000 2.923 63 T HA 0.447 4.799 4.350 0.003 0.000 0.311 63 T C 0.876 175.682 174.700 0.176 0.000 1.183 63 T CA -0.894 61.263 62.100 0.095 0.000 1.020 63 T CB 1.252 70.156 68.868 0.059 0.000 1.165 63 T HN 0.127 nan 8.240 nan 0.000 0.482 64 M N 2.123 121.847 119.600 0.208 0.000 2.447 64 M HA 0.246 4.728 4.480 0.003 0.000 0.264 64 M C 1.585 178.092 176.300 0.346 0.000 1.095 64 M CA 0.557 56.072 55.300 0.359 0.000 1.125 64 M CB -1.050 31.831 32.600 0.470 0.000 1.389 64 M HN 0.715 nan 8.290 nan 0.000 0.459 65 A N 3.010 125.938 122.820 0.181 0.000 3.077 65 A HA 0.219 4.541 4.320 0.003 0.000 0.255 65 A C 0.394 178.035 177.584 0.094 0.000 1.728 65 A CA -0.214 51.875 52.037 0.087 0.000 1.383 65 A CB -0.981 18.028 19.000 0.016 0.000 1.097 65 A HN 0.501 nan 8.150 nan 0.000 0.634 66 K N -0.652 119.849 120.400 0.169 0.000 2.512 66 K HA 0.544 4.866 4.320 0.003 0.000 0.263 66 K C -1.449 175.273 176.600 0.204 0.000 0.966 66 K CA -1.079 55.302 56.287 0.157 0.000 0.851 66 K CB 1.042 33.641 32.500 0.166 0.000 1.395 66 K HN 0.057 nan 8.250 nan 0.000 0.440 67 N N 1.290 120.078 118.700 0.147 0.000 2.426 67 N HA 0.377 5.119 4.740 0.003 0.000 0.275 67 N C -1.203 174.352 175.510 0.074 0.000 1.019 67 N CA -0.223 52.904 53.050 0.127 0.000 0.941 67 N CB 1.709 40.271 38.487 0.125 0.000 1.123 67 N HN 0.768 nan 8.380 nan 0.000 0.486 68 T N -2.639 111.969 114.554 0.091 0.000 2.932 68 T HA 0.402 4.754 4.350 0.003 0.000 0.318 68 T C -0.753 173.991 174.700 0.072 0.000 1.265 68 T CA -0.832 61.332 62.100 0.108 0.000 1.036 68 T CB 0.665 69.636 68.868 0.172 0.000 1.209 68 T HN 0.006 nan 8.240 nan 0.000 0.484 69 V N 3.829 123.835 119.914 0.153 0.000 2.389 69 V HA 0.311 4.433 4.120 0.003 0.000 0.264 69 V C 0.649 176.883 176.094 0.234 0.000 1.049 69 V CA -0.377 62.044 62.300 0.200 0.000 0.932 69 V CB 0.085 32.064 31.823 0.261 0.000 1.011 69 V HN 0.920 nan 8.190 nan 0.000 0.475 70 F N 5.907 125.768 119.950 -0.148 0.000 2.317 70 F HA 0.406 4.935 4.527 0.003 0.000 0.293 70 F C 0.305 176.011 175.800 -0.156 0.000 1.085 70 F CA 0.541 58.289 58.000 -0.420 0.000 1.390 70 F CB 0.568 38.904 39.000 -1.107 0.000 1.077 70 F HN 0.384 nan 8.300 nan 0.000 0.517 71 L N 0.871 122.146 121.223 0.087 0.000 2.472 71 L HA 0.578 4.920 4.340 0.003 0.000 0.260 71 L C -1.730 175.302 176.870 0.270 0.000 0.963 71 L CA -0.681 54.247 54.840 0.147 0.000 0.829 71 L CB 2.045 44.186 42.059 0.136 0.000 1.348 71 L HN -0.032 nan 8.230 nan 0.000 0.408 72 I N 3.993 124.742 120.570 0.298 0.000 2.534 72 I HA 0.606 4.778 4.170 0.003 0.000 0.288 72 I C -1.001 175.232 176.117 0.193 0.000 1.077 72 I CA -0.344 61.053 61.300 0.161 0.000 1.051 72 I CB 2.070 40.044 38.000 -0.045 0.000 1.234 72 I HN 0.801 nan 8.210 nan 0.000 0.425 73 E N 6.154 126.455 120.200 0.168 0.000 2.430 73 E HA 0.413 4.765 4.350 0.003 0.000 0.279 73 E C -1.202 175.478 176.600 0.135 0.000 1.003 73 E CA -1.068 55.430 56.400 0.163 0.000 0.801 73 E CB 2.127 31.935 29.700 0.179 0.000 1.313 73 E HN 0.371 nan 8.360 nan 0.000 0.459 74 M N 2.176 121.850 119.600 0.123 0.000 2.249 74 M HA 0.164 4.647 4.480 0.003 0.000 0.340 74 M C -1.217 175.159 176.300 0.127 0.000 1.166 74 M CA -0.246 55.119 55.300 0.109 0.000 1.115 74 M CB 0.457 33.117 32.600 0.100 0.000 1.606 74 M HN 0.695 nan 8.290 nan 0.000 0.448 75 L N 6.879 128.177 121.223 0.125 0.000 2.294 75 L HA 0.387 4.729 4.340 0.003 0.000 0.283 75 L C -1.092 175.863 176.870 0.142 0.000 1.015 75 L CA -0.530 54.395 54.840 0.141 0.000 0.831 75 L CB 1.069 43.217 42.059 0.149 0.000 1.217 75 L HN 0.727 nan 8.230 nan 0.000 0.420 76 L N 8.177 129.497 121.223 0.162 0.000 2.453 76 L HA 0.428 4.770 4.340 0.003 0.000 0.272 76 L C -1.957 175.023 176.870 0.182 0.000 1.182 76 L CA -0.612 54.338 54.840 0.182 0.000 0.858 76 L CB -0.114 42.084 42.059 0.231 0.000 1.120 76 L HN 0.553 nan 8.230 nan 0.000 0.474 77 P HA 0.173 nan 4.420 nan 0.000 0.274 77 P C -1.187 176.252 177.300 0.231 0.000 1.256 77 P CA -0.561 62.642 63.100 0.172 0.000 0.795 77 P CB 0.335 32.102 31.700 0.112 0.000 1.038 78 K N 0.654 121.211 120.400 0.262 0.000 2.436 78 K HA -0.035 4.287 4.320 0.003 0.000 0.275 78 K C 1.375 178.106 176.600 0.217 0.000 0.999 78 K CA 0.091 56.532 56.287 0.257 0.000 0.980 78 K CB 0.326 32.984 32.500 0.265 0.000 0.919 78 K HN 0.386 nan 8.250 nan 0.000 0.484 79 K N 2.324 122.819 120.400 0.158 0.000 2.063 79 K HA -0.259 4.063 4.320 0.003 0.000 0.208 79 K C 1.844 178.390 176.600 -0.090 0.000 1.048 79 K CA 1.526 57.771 56.287 -0.070 0.000 0.928 79 K CB -0.155 32.067 32.500 -0.464 0.000 0.713 79 K HN 0.622 nan 8.250 nan 0.000 0.442 80 Y N 1.088 121.282 120.300 -0.177 0.000 2.114 80 Y HA -0.331 4.221 4.550 0.003 0.000 0.282 80 Y C 2.153 177.958 175.900 -0.158 0.000 1.165 80 Y CA 2.157 60.122 58.100 -0.226 0.000 1.148 80 Y CB -0.270 37.992 38.460 -0.330 0.000 0.972 80 Y HN 0.267 nan 8.280 nan 0.000 0.504 81 H N -1.398 117.684 119.070 0.021 0.000 2.395 81 H HA -0.061 4.497 4.556 0.003 0.000 0.299 81 H C 2.532 177.843 175.328 -0.029 0.000 1.070 81 H CA 1.591 57.616 56.048 -0.037 0.000 1.356 81 H CB -0.601 29.208 29.762 0.079 0.000 1.401 81 H HN 0.334 nan 8.280 nan 0.000 0.524 82 V N 1.412 121.413 119.914 0.146 0.000 2.295 82 V HA -0.216 3.906 4.120 0.003 0.000 0.246 82 V C 2.816 179.006 176.094 0.160 0.000 1.049 82 V CA 1.267 63.665 62.300 0.163 0.000 1.024 82 V CB -0.649 31.327 31.823 0.255 0.000 0.648 82 V HN 0.250 nan 8.190 nan 0.000 0.447 83 L N -0.666 120.589 121.223 0.055 0.000 2.083 83 L HA -0.140 4.202 4.340 0.003 0.000 0.209 83 L C 2.867 179.706 176.870 -0.052 0.000 1.083 83 L CA 1.457 56.299 54.840 0.003 0.000 0.752 83 L CB -0.589 41.410 42.059 -0.100 0.000 0.899 83 L HN 0.259 nan 8.230 nan 0.000 0.433 84 R N -0.666 119.755 120.500 -0.130 0.000 2.096 84 R HA -0.194 4.148 4.340 0.003 0.000 0.235 84 R C 2.250 178.566 176.300 0.026 0.000 1.127 84 R CA 1.522 57.559 56.100 -0.105 0.000 0.968 84 R CB -0.545 29.641 30.300 -0.189 0.000 0.861 84 R HN 0.256 nan 8.270 nan 0.000 0.440 85 F N 1.644 121.542 119.950 -0.086 0.000 2.113 85 F HA -0.122 4.407 4.527 0.004 0.000 0.297 85 F C 1.961 177.721 175.800 -0.067 0.000 1.103 85 F CA 1.327 59.276 58.000 -0.086 0.000 1.248 85 F CB -0.418 38.490 39.000 -0.153 0.000 0.999 85 F HN -0.135 nan 8.300 nan 0.000 0.475 86 L N -0.307 120.792 121.223 -0.207 0.000 2.072 86 L HA -0.140 4.202 4.340 0.003 0.000 0.205 86 L C 1.657 178.423 176.870 -0.174 0.000 1.079 86 L CA 1.569 56.236 54.840 -0.289 0.000 0.752 86 L CB -0.569 41.472 42.059 -0.029 0.000 0.906 86 L HN 0.089 nan 8.230 nan 0.000 0.436 87 D N -1.308 119.044 120.400 -0.080 0.000 2.423 87 D HA 0.011 4.653 4.640 0.003 0.000 0.212 87 D C 1.353 177.624 176.300 -0.049 0.000 1.060 87 D CA 0.509 54.483 54.000 -0.043 0.000 0.872 87 D CB 0.401 41.196 40.800 -0.007 0.000 1.012 87 D HN 0.135 nan 8.370 nan 0.000 0.503 88 K N -0.143 120.225 120.400 -0.053 0.000 2.469 88 K HA 0.332 4.655 4.320 0.003 0.000 0.204 88 K C 0.986 177.572 176.600 -0.024 0.000 1.047 88 K CA 0.160 56.425 56.287 -0.036 0.000 1.072 88 K CB 1.886 34.364 32.500 -0.036 0.000 0.863 88 K HN 0.079 nan 8.250 nan 0.000 0.530 89 G N 1.743 110.519 108.800 -0.040 0.000 2.184 89 G HA2 -0.250 3.712 3.960 0.003 0.000 0.264 89 G HA3 -0.250 3.712 3.960 0.003 0.000 0.264 89 G C 0.170 175.098 174.900 0.046 0.000 0.975 89 G CA 0.304 45.394 45.100 -0.017 0.000 0.642 89 G HN 0.262 nan 8.290 nan 0.000 0.536 90 E N 0.283 120.526 120.200 0.072 0.000 2.421 90 E HA 0.579 4.931 4.350 0.003 0.000 0.253 90 E C 1.272 177.995 176.600 0.204 0.000 1.277 90 E CA 0.230 56.694 56.400 0.107 0.000 0.968 90 E CB 0.137 29.883 29.700 0.078 0.000 1.040 90 E HN 0.828 nan 8.360 nan 0.000 0.512 91 R N 0.919 121.502 120.500 0.138 0.000 2.694 91 R HA 0.000 4.342 4.340 0.003 0.000 0.268 91 R C 0.445 176.754 176.300 0.015 0.000 1.061 91 R CA -0.083 56.085 56.100 0.113 0.000 1.133 91 R CB -0.540 29.784 30.300 0.040 0.000 1.020 91 R HN 0.563 nan 8.270 nan 0.000 0.475 92 H N 3.005 121.894 119.070 -0.301 0.000 3.070 92 H HA 0.110 4.668 4.556 0.004 0.000 0.313 92 H C -1.962 173.078 175.328 -0.480 0.000 0.997 92 H CA -1.322 54.193 56.048 -0.888 0.000 1.438 92 H CB 0.898 30.245 29.762 -0.693 0.000 1.455 92 H HN 0.512 nan 8.280 nan 0.000 0.575 93 P HA -0.003 nan 4.420 nan 0.000 0.272 93 P C -0.348 176.950 177.300 -0.003 0.000 1.240 93 P CA -0.521 62.495 63.100 -0.140 0.000 0.791 93 P CB 0.622 32.246 31.700 -0.127 0.000 0.978 94 V N 1.874 121.773 119.914 -0.025 0.000 2.673 94 V HA 0.024 4.146 4.120 0.003 0.000 0.303 94 V C 1.133 177.243 176.094 0.027 0.000 1.046 94 V CA 0.214 62.516 62.300 0.004 0.000 1.126 94 V CB -0.237 31.608 31.823 0.037 0.000 0.934 94 V HN 0.469 nan 8.190 nan 0.000 0.487 95 R N 3.930 124.430 120.500 0.001 0.000 2.297 95 R HA 0.480 4.822 4.340 0.003 0.000 0.308 95 R C -0.330 175.970 176.300 0.001 0.000 1.029 95 R CA -0.252 55.851 56.100 0.005 0.000 0.929 95 R CB 0.752 31.031 30.300 -0.036 0.000 1.046 95 R HN 0.865 nan 8.270 nan 0.000 0.461 96 E N 1.866 122.088 120.200 0.035 0.000 2.416 96 E HA 0.591 4.943 4.350 0.003 0.000 0.273 96 E C -1.455 175.176 176.600 0.052 0.000 0.935 96 E CA -1.299 55.123 56.400 0.037 0.000 0.784 96 E CB 2.061 31.831 29.700 0.117 0.000 1.301 96 E HN 0.619 nan 8.360 nan 0.000 0.454 97 A N 1.220 124.069 122.820 0.050 0.000 2.355 97 A HA 0.567 4.889 4.320 0.003 0.000 0.324 97 A C -0.655 177.008 177.584 0.132 0.000 1.117 97 A CA -0.645 51.440 52.037 0.080 0.000 0.785 97 A CB 1.199 20.229 19.000 0.050 0.000 1.254 97 A HN 0.567 nan 8.150 nan 0.000 0.453 98 R N 1.483 122.075 120.500 0.154 0.000 2.308 98 R HA 0.597 4.939 4.340 0.003 0.000 0.305 98 R C -0.612 175.811 176.300 0.205 0.000 1.053 98 R CA 0.057 56.271 56.100 0.191 0.000 0.957 98 R CB 0.833 31.246 30.300 0.188 0.000 1.022 98 R HN 0.858 nan 8.270 nan 0.000 0.461 99 A N 4.681 127.655 122.820 0.256 0.000 2.335 99 A HA 0.428 4.750 4.320 0.003 0.000 0.304 99 A C -1.106 176.677 177.584 0.332 0.000 1.118 99 A CA -0.691 51.508 52.037 0.270 0.000 0.757 99 A CB 1.721 20.881 19.000 0.266 0.000 1.188 99 A HN 0.500 nan 8.150 nan 0.000 0.460 100 V N 4.295 124.393 119.914 0.306 0.000 2.370 100 V HA 0.373 4.495 4.120 0.003 0.000 0.279 100 V C -0.199 176.083 176.094 0.312 0.000 1.029 100 V CA -0.052 62.455 62.300 0.345 0.000 0.870 100 V CB 0.925 32.987 31.823 0.398 0.000 0.984 100 V HN 0.729 nan 8.190 nan 0.000 0.451 101 I N 5.117 125.867 120.570 0.300 0.000 2.378 101 I HA 0.407 4.579 4.170 0.003 0.000 0.291 101 I C -0.756 175.470 176.117 0.181 0.000 0.992 101 I CA -0.442 60.918 61.300 0.100 0.000 1.154 101 I CB 1.587 39.484 38.000 -0.172 0.000 1.315 101 I HN 0.367 nan 8.210 nan 0.000 0.448 102 F N 6.236 126.170 119.950 -0.026 0.000 2.404 102 F HA 0.265 4.795 4.527 0.003 0.000 0.359 102 F C 0.032 175.914 175.800 0.137 0.000 1.134 102 F CA -0.816 57.285 58.000 0.167 0.000 1.160 102 F CB -0.088 39.028 39.000 0.193 0.000 1.186 102 F HN 0.233 nan 8.300 nan 0.000 0.526 103 F N 2.043 122.287 119.950 0.491 0.000 2.499 103 F HA 0.307 4.836 4.527 0.004 0.000 0.353 103 F C 1.418 177.161 175.800 -0.095 0.000 1.196 103 F CA -0.499 57.621 58.000 0.200 0.000 1.244 103 F CB 0.399 39.477 39.000 0.130 0.000 1.577 103 F HN 0.572 nan 8.300 nan 0.000 0.614 104 G N 0.013 108.842 108.800 0.047 0.000 2.939 104 G HA2 -0.113 3.849 3.960 0.003 0.000 0.210 104 G HA3 -0.113 3.849 3.960 0.003 0.000 0.210 104 G C 0.482 175.259 174.900 -0.205 0.000 1.160 104 G CA 0.046 44.887 45.100 -0.431 0.000 0.770 104 G HN 0.356 nan 8.290 nan 0.000 0.543 105 D N 0.700 121.084 120.400 -0.028 0.000 3.139 105 D HA 0.240 4.882 4.640 0.003 0.000 0.268 105 D C 0.405 176.679 176.300 -0.043 0.000 1.322 105 D CA -0.296 53.696 54.000 -0.013 0.000 0.940 105 D CB -0.349 40.478 40.800 0.045 0.000 1.050 105 D HN 0.556 nan 8.370 nan 0.000 0.503 106 Q N -1.191 118.542 119.800 -0.111 0.000 2.702 106 Q HA 0.193 4.535 4.340 0.003 0.000 0.289 106 Q C 0.369 176.260 176.000 -0.182 0.000 0.923 106 Q CA -0.819 54.913 55.803 -0.118 0.000 0.787 106 Q CB 0.832 29.512 28.738 -0.095 0.000 1.476 106 Q HN -0.065 nan 8.270 nan 0.000 0.402 107 E N 0.343 120.426 120.200 -0.196 0.000 2.070 107 E HA -0.176 4.176 4.350 0.003 0.000 0.197 107 E C -0.178 176.116 176.600 -0.510 0.000 1.004 107 E CA 1.265 57.459 56.400 -0.344 0.000 0.805 107 E CB 0.179 29.652 29.700 -0.377 0.000 0.744 107 E HN 0.509 nan 8.360 nan 0.000 0.451 108 H N 0.752 119.736 119.070 -0.145 0.000 2.643 108 H HA 0.306 4.864 4.556 0.003 0.000 0.259 108 H C -2.333 172.866 175.328 -0.215 0.000 1.298 108 H CA -2.254 53.698 56.048 -0.160 0.000 1.301 108 H CB 0.859 30.552 29.762 -0.115 0.000 1.422 108 H HN 0.160 nan 8.280 nan 0.000 0.521 109 P HA -0.044 nan 4.420 nan 0.000 0.266 109 P C 0.135 177.323 177.300 -0.187 0.000 1.195 109 P CA 0.228 62.988 63.100 -0.567 0.000 0.768 109 P CB 0.775 31.538 31.700 -1.561 0.000 0.838 110 N N 0.232 118.970 118.700 0.064 0.000 2.853 110 N HA 0.479 5.221 4.740 0.003 0.000 0.258 110 N C -1.843 173.959 175.510 0.486 0.000 1.444 110 N CA -0.943 52.288 53.050 0.301 0.000 0.837 110 N CB 0.783 39.374 38.487 0.173 0.000 1.489 110 N HN -0.011 nan 8.380 nan 0.000 0.529 111 V N 0.136 120.242 119.914 0.321 0.000 2.398 111 V HA 0.652 4.774 4.120 0.003 0.000 0.286 111 V C -0.445 175.801 176.094 0.253 0.000 1.026 111 V CA -0.273 62.199 62.300 0.287 0.000 0.868 111 V CB 1.047 32.957 31.823 0.144 0.000 0.982 111 V HN 0.844 nan 8.190 nan 0.000 0.443 112 T N 4.207 118.954 114.554 0.321 0.000 2.876 112 T HA 0.518 4.870 4.350 0.003 0.000 0.289 112 T C -0.671 174.026 174.700 -0.004 0.000 1.014 112 T CA -0.703 61.481 62.100 0.141 0.000 0.986 112 T CB 1.920 70.938 68.868 0.250 0.000 1.021 112 T HN 0.688 nan 8.240 nan 0.000 0.458 113 E N 1.200 121.281 120.200 -0.200 0.000 2.202 113 E HA 0.630 4.982 4.350 0.003 0.000 0.272 113 E C -1.249 175.058 176.600 -0.488 0.000 0.951 113 E CA -0.653 55.676 56.400 -0.119 0.000 0.813 113 E CB 1.625 31.385 29.700 0.099 0.000 1.151 113 E HN 0.423 nan 8.360 nan 0.000 0.398 114 F N 0.238 120.319 119.950 0.219 0.000 2.588 114 F HA 0.514 5.043 4.527 0.003 0.000 0.314 114 F C -0.126 175.794 175.800 0.200 0.000 1.069 114 F CA -1.077 57.050 58.000 0.211 0.000 0.931 114 F CB 1.666 40.800 39.000 0.222 0.000 1.260 114 F HN 0.406 nan 8.300 nan 0.000 0.465 115 A N 1.933 124.988 122.820 0.392 0.000 2.260 115 A HA 0.711 5.033 4.320 0.003 0.000 0.308 115 A C -1.021 176.765 177.584 0.337 0.000 1.254 115 A CA -0.559 51.671 52.037 0.322 0.000 0.874 115 A CB 0.358 19.534 19.000 0.293 0.000 1.153 115 A HN 0.542 nan 8.150 nan 0.000 0.527 116 V N 2.637 122.656 119.914 0.176 0.000 2.435 116 V HA 0.815 4.937 4.120 0.003 0.000 0.290 116 V C 0.767 176.662 176.094 -0.332 0.000 1.030 116 V CA 0.541 62.804 62.300 -0.062 0.000 0.881 116 V CB 1.107 32.927 31.823 -0.005 0.000 0.983 116 V HN 1.313 nan 8.190 nan 0.000 0.445 117 G N 5.419 113.629 108.800 -0.983 0.000 2.554 117 G HA2 0.649 4.611 3.960 0.003 0.000 0.306 117 G HA3 0.649 4.611 3.960 0.003 0.000 0.306 117 G C -3.404 170.739 174.900 -1.263 0.000 1.320 117 G CA -0.889 43.648 45.100 -0.938 0.000 0.800 117 G HN 0.477 nan 8.290 nan 0.000 0.481 118 P HA 0.483 nan 4.420 nan 0.000 0.276 118 P C -0.751 176.404 177.300 -0.242 0.000 1.261 118 P CA -0.368 62.590 63.100 -0.237 0.000 0.800 118 P CB 1.418 33.074 31.700 -0.073 0.000 1.066 119 L N 1.762 122.888 121.223 -0.160 0.000 2.325 119 L HA 0.439 4.782 4.340 0.003 0.000 0.281 119 L C -1.848 174.944 176.870 -0.130 0.000 1.004 119 L CA -2.101 52.653 54.840 -0.142 0.000 0.823 119 L CB 1.708 43.699 42.059 -0.112 0.000 1.236 119 L HN 0.281 nan 8.230 nan 0.000 0.415 120 P HA 0.253 nan 4.420 nan 0.000 0.276 120 P C 0.212 177.434 177.300 -0.130 0.000 1.261 120 P CA -0.049 62.981 63.100 -0.116 0.000 0.800 120 P CB 1.050 32.694 31.700 -0.095 0.000 1.066 121 G N 0.367 109.088 108.800 -0.133 0.000 2.545 121 G HA2 -0.094 3.868 3.960 0.003 0.000 0.279 121 G HA3 -0.094 3.868 3.960 0.003 0.000 0.279 121 G C -2.574 172.184 174.900 -0.236 0.000 1.131 121 G CA -0.759 44.258 45.100 -0.139 0.000 1.100 121 G HN 0.470 nan 8.290 nan 0.000 0.525 122 P HA 0.283 nan 4.420 nan 0.000 0.268 122 P C 1.123 177.952 177.300 -0.784 0.000 1.204 122 P CA 0.547 63.249 63.100 -0.664 0.000 0.768 122 P CB 1.033 32.254 31.700 -0.798 0.000 0.842 123 C N 1.977 120.835 119.300 -0.737 0.000 3.911 123 C HA 0.442 4.904 4.460 0.003 0.000 0.318 123 C C -0.265 174.679 174.990 -0.077 0.000 1.643 123 C CA -0.537 58.278 59.018 -0.339 0.000 1.845 123 C CB -1.393 26.308 27.740 -0.065 0.000 2.981 123 C HN 0.573 nan 8.230 nan 0.000 0.656 124 Y N 0.038 120.206 120.300 -0.220 0.000 2.588 124 Y HA 0.832 5.384 4.550 0.003 0.000 0.343 124 Y C -0.801 175.182 175.900 0.138 0.000 1.065 124 Y CA -2.075 56.063 58.100 0.064 0.000 1.038 124 Y CB 0.938 39.423 38.460 0.043 0.000 1.297 124 Y HN 0.253 nan 8.280 nan 0.000 0.467 125 M N 3.027 122.922 119.600 0.492 0.000 2.106 125 M HA 0.657 5.139 4.480 0.003 0.000 0.288 125 M C -1.384 175.192 176.300 0.460 0.000 0.941 125 M CA -0.850 54.708 55.300 0.430 0.000 0.934 125 M CB 2.239 34.967 32.600 0.212 0.000 1.551 125 M HN 0.893 nan 8.290 nan 0.000 0.437 126 R N 2.658 123.461 120.500 0.504 0.000 2.668 126 R HA 0.902 5.244 4.340 0.003 0.000 0.279 126 R C -0.519 176.020 176.300 0.398 0.000 0.976 126 R CA -0.607 55.715 56.100 0.370 0.000 0.978 126 R CB 1.407 31.822 30.300 0.191 0.000 1.133 126 R HN 0.791 nan 8.270 nan 0.000 0.484 127 A N 2.461 125.446 122.820 0.274 0.000 2.498 127 A HA 0.301 4.623 4.320 0.003 0.000 0.239 127 A C -0.574 177.058 177.584 0.079 0.000 1.068 127 A CA -0.320 51.780 52.037 0.106 0.000 0.766 127 A CB 0.249 19.286 19.000 0.060 0.000 1.003 127 A HN 0.601 nan 8.150 nan 0.000 0.497 128 L N 1.604 122.831 121.223 0.008 0.000 2.410 128 L HA 0.537 4.879 4.340 0.003 0.000 0.270 128 L C 0.430 177.327 176.870 0.045 0.000 0.983 128 L CA 0.657 55.536 54.840 0.065 0.000 0.822 128 L CB 1.620 43.749 42.059 0.118 0.000 1.285 128 L HN 1.028 nan 8.230 nan 0.000 0.409 129 S N 3.054 118.796 115.700 0.069 0.000 3.559 129 S HA -0.120 4.352 4.470 0.003 0.000 0.369 129 S C -2.126 172.493 174.600 0.033 0.000 0.987 129 S CA 0.495 58.737 58.200 0.069 0.000 1.187 129 S CB -2.048 61.221 63.200 0.115 0.000 0.914 129 S HN 0.720 nan 8.310 nan 0.000 0.480 130 P HA 0.251 nan 4.420 nan 0.000 0.269 130 P C -0.086 177.217 177.300 0.006 0.000 1.209 130 P CA -0.086 63.016 63.100 0.002 0.000 0.776 130 P CB 0.532 32.237 31.700 0.008 0.000 0.876 131 R N 2.563 123.066 120.500 0.005 0.000 2.681 131 R HA 0.279 4.621 4.340 0.003 0.000 0.277 131 R C -2.205 174.125 176.300 0.050 0.000 1.563 131 R CA -1.574 54.531 56.100 0.008 0.000 1.673 131 R CB 0.493 30.766 30.300 -0.046 0.000 1.258 131 R HN 0.403 nan 8.270 nan 0.000 0.650 132 P HA 0.112 nan 4.420 nan 0.000 0.268 132 P C 0.583 177.911 177.300 0.046 0.000 1.205 132 P CA 0.927 64.047 63.100 0.034 0.000 0.771 132 P CB 1.229 32.941 31.700 0.019 0.000 0.858 133 G N 1.539 110.362 108.800 0.037 0.000 2.217 133 G HA2 -0.287 3.675 3.960 0.003 0.000 0.246 133 G HA3 -0.287 3.675 3.960 0.003 0.000 0.246 133 G C -0.132 174.811 174.900 0.072 0.000 0.990 133 G CA 0.120 45.241 45.100 0.034 0.000 0.627 133 G HN 0.664 nan 8.290 nan 0.000 0.522 134 Y N 1.682 121.959 120.300 -0.038 0.000 2.316 134 Y HA 0.584 5.136 4.550 0.004 0.000 0.331 134 Y C 1.281 177.155 175.900 -0.044 0.000 1.083 134 Y CA 0.039 58.114 58.100 -0.041 0.000 1.206 134 Y CB 0.881 39.312 38.460 -0.049 0.000 1.195 134 Y HN 0.147 nan 8.280 nan 0.000 0.497 135 Q N 2.694 122.155 119.800 -0.566 0.000 2.217 135 Q HA 0.134 4.477 4.340 0.003 0.000 0.217 135 Q C 0.385 176.052 176.000 -0.555 0.000 0.844 135 Q CA 0.077 55.618 55.803 -0.437 0.000 0.957 135 Q CB 0.884 29.475 28.738 -0.244 0.000 1.127 135 Q HN 0.633 nan 8.270 nan 0.000 0.503 136 S N 0.348 115.391 115.700 -1.095 0.000 2.574 136 S HA 0.007 4.479 4.470 0.003 0.000 0.242 136 S C 1.585 175.987 174.600 -0.329 0.000 0.982 136 S CA 0.033 57.871 58.200 -0.602 0.000 0.977 136 S CB 0.358 63.321 63.200 -0.396 0.000 0.814 136 S HN 0.386 nan 8.310 nan 0.000 0.464 137 S N 0.796 116.348 115.700 -0.247 0.000 2.399 137 S HA -0.123 4.349 4.470 0.003 0.000 0.231 137 S C 1.574 176.193 174.600 0.030 0.000 1.022 137 S CA 0.215 58.445 58.200 0.049 0.000 0.983 137 S CB -0.575 62.666 63.200 0.068 0.000 0.803 137 S HN 0.816 nan 8.310 nan 0.000 0.480 138 W N 2.259 123.471 121.300 -0.147 0.000 2.379 138 W HA -0.034 4.629 4.660 0.004 0.000 0.307 138 W C 2.541 178.954 176.519 -0.175 0.000 1.200 138 W CA 1.225 58.466 57.345 -0.174 0.000 1.297 138 W CB -0.454 28.933 29.460 -0.121 0.000 1.140 138 W HN 0.471 nan 8.180 nan 0.000 0.507 139 A N 0.500 123.294 122.820 -0.044 0.000 2.019 139 A HA -0.231 4.091 4.320 0.003 0.000 0.219 139 A C 1.961 179.460 177.584 -0.141 0.000 1.164 139 A CA 2.229 54.187 52.037 -0.132 0.000 0.644 139 A CB -1.184 17.783 19.000 -0.056 0.000 0.805 139 A HN 0.364 nan 8.150 nan 0.000 0.449 140 S N 0.185 115.849 115.700 -0.059 0.000 2.561 140 S HA -0.054 4.418 4.470 0.003 0.000 0.225 140 S C 1.080 175.672 174.600 -0.014 0.000 0.977 140 S CA 0.147 58.367 58.200 0.034 0.000 0.926 140 S CB -0.498 62.804 63.200 0.171 0.000 0.769 140 S HN 0.743 nan 8.310 nan 0.000 0.533 141 R N 1.168 121.518 120.500 -0.250 0.000 2.641 141 R HA 0.411 4.753 4.340 0.003 0.000 0.269 141 R C -3.008 173.066 176.300 -0.376 0.000 1.074 141 R CA -1.523 54.341 56.100 -0.393 0.000 1.133 141 R CB -0.685 28.961 30.300 -1.090 0.000 1.029 141 R HN 0.049 nan 8.270 nan 0.000 0.488 142 P HA -0.005 nan 4.420 nan 0.000 0.269 142 P C -0.118 177.010 177.300 -0.286 0.000 1.215 142 P CA -0.156 62.764 63.100 -0.301 0.000 0.780 142 P CB 0.464 32.089 31.700 -0.125 0.000 0.898 143 I N 1.226 121.624 120.570 -0.286 0.000 2.882 143 I HA 0.191 4.363 4.170 0.003 0.000 0.286 143 I C 0.285 176.414 176.117 0.020 0.000 1.139 143 I CA 0.583 61.755 61.300 -0.212 0.000 1.379 143 I CB 0.594 38.379 38.000 -0.358 0.000 1.410 143 I HN 0.443 nan 8.210 nan 0.000 0.594 144 S N 2.730 118.469 115.700 0.065 0.000 2.632 144 S HA 0.365 4.837 4.470 0.003 0.000 0.289 144 S C 0.571 175.358 174.600 0.311 0.000 1.115 144 S CA -0.416 57.951 58.200 0.279 0.000 0.889 144 S CB 1.572 64.960 63.200 0.312 0.000 1.116 144 S HN 0.659 nan 8.310 nan 0.000 0.486 145 T N 1.723 116.510 114.554 0.389 0.000 2.699 145 T HA -0.132 4.220 4.350 0.003 0.000 0.268 145 T C 2.134 177.034 174.700 0.333 0.000 1.036 145 T CA 2.111 64.453 62.100 0.404 0.000 1.147 145 T CB -0.967 68.077 68.868 0.294 0.000 0.862 145 T HN 0.876 nan 8.240 nan 0.000 0.446 146 A N 1.036 124.017 122.820 0.268 0.000 1.940 146 A HA -0.160 4.163 4.320 0.003 0.000 0.219 146 A C 2.186 179.934 177.584 0.274 0.000 1.176 146 A CA 2.013 54.199 52.037 0.247 0.000 0.631 146 A CB -0.595 18.541 19.000 0.227 0.000 0.814 146 A HN 0.628 nan 8.150 nan 0.000 0.446 147 E N -1.698 118.655 120.200 0.256 0.000 2.106 147 E HA -0.188 4.164 4.350 0.003 0.000 0.192 147 E C 1.685 178.432 176.600 0.244 0.000 0.984 147 E CA 1.057 57.607 56.400 0.251 0.000 0.806 147 E CB -0.211 29.553 29.700 0.105 0.000 0.750 147 E HN 0.707 nan 8.360 nan 0.000 0.458 148 Y N 0.293 120.761 120.300 0.280 0.000 2.181 148 Y HA -0.143 4.409 4.550 0.003 0.000 0.288 148 Y C 2.290 178.414 175.900 0.375 0.000 1.146 148 Y CA 1.159 59.454 58.100 0.326 0.000 1.164 148 Y CB -0.750 37.897 38.460 0.311 0.000 0.982 148 Y HN 0.148 nan 8.280 nan 0.000 0.515 149 A N 0.030 123.109 122.820 0.433 0.000 1.883 149 A HA -0.192 4.130 4.320 0.003 0.000 0.217 149 A C 2.295 179.981 177.584 0.170 0.000 1.186 149 A CA 1.847 54.030 52.037 0.244 0.000 0.624 149 A CB -1.167 17.932 19.000 0.165 0.000 0.822 149 A HN 0.469 nan 8.150 nan 0.000 0.444 150 L N -0.794 120.598 121.223 0.282 0.000 2.093 150 L HA -0.154 4.188 4.340 0.003 0.000 0.208 150 L C 2.556 179.642 176.870 0.359 0.000 1.085 150 L CA 0.877 55.896 54.840 0.298 0.000 0.755 150 L CB -0.456 41.720 42.059 0.194 0.000 0.904 150 L HN 0.378 nan 8.230 nan 0.000 0.435 151 L N -1.785 119.676 121.223 0.396 0.000 2.046 151 L HA -0.267 4.075 4.340 0.003 0.000 0.208 151 L C 2.546 179.429 176.870 0.021 0.000 1.077 151 L CA 1.392 56.330 54.840 0.164 0.000 0.747 151 L CB -0.577 41.447 42.059 -0.059 0.000 0.896 151 L HN 0.171 nan 8.230 nan 0.000 0.432 152 Y N -0.357 120.048 120.300 0.175 0.000 2.181 152 Y HA -0.286 4.266 4.550 0.003 0.000 0.288 152 Y C 2.632 178.519 175.900 -0.021 0.000 1.146 152 Y CA 1.786 59.940 58.100 0.089 0.000 1.164 152 Y CB -0.557 37.938 38.460 0.059 0.000 0.982 152 Y HN 0.238 nan 8.280 nan 0.000 0.515 153 H N -1.858 117.342 119.070 0.217 0.000 2.353 153 H HA -0.142 4.416 4.556 0.004 0.000 0.300 153 H C 2.146 177.501 175.328 0.045 0.000 1.090 153 H CA 1.642 57.754 56.048 0.107 0.000 1.327 153 H CB -0.135 29.669 29.762 0.069 0.000 1.383 153 H HN 0.196 nan 8.280 nan 0.000 0.508 154 T N 0.960 115.615 114.554 0.169 0.000 2.720 154 T HA -0.139 4.213 4.350 0.003 0.000 0.268 154 T C 2.110 176.802 174.700 -0.014 0.000 1.037 154 T CA 1.014 63.172 62.100 0.097 0.000 1.144 154 T CB -0.218 68.760 68.868 0.184 0.000 0.864 154 T HN 0.219 nan 8.240 nan 0.000 0.444 155 L N 0.554 121.689 121.223 -0.147 0.000 2.056 155 L HA -0.108 4.234 4.340 0.003 0.000 0.207 155 L C 2.904 179.617 176.870 -0.262 0.000 1.078 155 L CA 1.319 55.955 54.840 -0.341 0.000 0.749 155 L CB -0.617 40.975 42.059 -0.779 0.000 0.901 155 L HN 0.315 nan 8.230 nan 0.000 0.433 156 Q N -0.358 119.367 119.800 -0.126 0.000 2.096 156 Q HA -0.216 4.126 4.340 0.003 0.000 0.204 156 Q C 2.171 178.228 176.000 0.094 0.000 0.982 156 Q CA 1.432 57.278 55.803 0.072 0.000 0.850 156 Q CB 0.012 28.852 28.738 0.170 0.000 0.901 156 Q HN 0.432 nan 8.270 nan 0.000 0.422 157 E N 0.356 120.595 120.200 0.065 0.000 2.016 157 E HA -0.105 4.247 4.350 0.003 0.000 0.190 157 E C 2.064 178.692 176.600 0.047 0.000 0.985 157 E CA 1.111 57.544 56.400 0.054 0.000 0.802 157 E CB -0.378 29.346 29.700 0.041 0.000 0.762 157 E HN 0.329 nan 8.360 nan 0.000 0.448 158 A N 1.252 124.090 122.820 0.030 0.000 1.978 158 A HA -0.150 4.172 4.320 0.003 0.000 0.220 158 A C 2.240 179.849 177.584 0.042 0.000 1.170 158 A CA 2.297 54.350 52.037 0.026 0.000 0.636 158 A CB -0.771 18.235 19.000 0.010 0.000 0.810 158 A HN 0.361 nan 8.150 nan 0.000 0.448 159 T N -3.472 111.130 114.554 0.080 0.000 3.163 159 T HA 0.222 4.574 4.350 0.003 0.000 0.252 159 T C 1.280 176.068 174.700 0.147 0.000 1.056 159 T CA 0.393 62.586 62.100 0.155 0.000 0.947 159 T CB -0.006 69.108 68.868 0.410 0.000 1.016 159 T HN 0.473 nan 8.240 nan 0.000 0.554 160 K N 1.724 122.192 120.400 0.113 0.000 2.074 160 K HA -0.064 4.258 4.320 0.003 0.000 0.209 160 K C -0.732 175.899 176.600 0.052 0.000 1.048 160 K CA 1.712 58.057 56.287 0.098 0.000 0.926 160 K CB -1.153 31.381 32.500 0.058 0.000 0.713 160 K HN 0.352 nan 8.250 nan 0.000 0.444 161 P HA -0.161 nan 4.420 nan 0.000 0.218 161 P C 0.830 178.075 177.300 -0.092 0.000 1.146 161 P CA 1.219 64.300 63.100 -0.031 0.000 0.813 161 P CB 0.059 31.729 31.700 -0.052 0.000 0.778 162 L N -2.933 118.163 121.223 -0.211 0.000 2.592 162 L HA 0.047 4.389 4.340 0.003 0.000 0.227 162 L C 2.266 178.810 176.870 -0.544 0.000 1.127 162 L CA 0.075 54.611 54.840 -0.507 0.000 0.884 162 L CB -0.754 40.758 42.059 -0.912 0.000 1.065 162 L HN 0.027 nan 8.230 nan 0.000 0.457 163 H N 0.733 119.669 119.070 -0.223 0.000 2.289 163 H HA -0.228 4.330 4.556 0.004 0.000 0.294 163 H C 2.258 177.614 175.328 0.047 0.000 1.095 163 H CA 2.017 58.076 56.048 0.017 0.000 1.256 163 H CB 0.352 30.179 29.762 0.108 0.000 1.359 163 H HN 0.190 nan 8.280 nan 0.000 0.487 164 Q N -0.634 119.190 119.800 0.040 0.000 2.119 164 Q HA -0.126 4.216 4.340 0.003 0.000 0.201 164 Q C 2.361 178.367 176.000 0.009 0.000 0.972 164 Q CA 1.195 57.020 55.803 0.036 0.000 0.847 164 Q CB -0.717 28.105 28.738 0.140 0.000 0.903 164 Q HN 0.529 nan 8.270 nan 0.000 0.433 165 F N 1.017 120.832 119.950 -0.226 0.000 2.091 165 F HA -0.280 4.249 4.527 0.003 0.000 0.299 165 F C 1.734 177.335 175.800 -0.333 0.000 1.103 165 F CA 1.288 58.965 58.000 -0.539 0.000 1.228 165 F CB -0.260 38.278 39.000 -0.770 0.000 0.984 165 F HN -0.063 nan 8.300 nan 0.000 0.477 166 F N 0.532 120.381 119.950 -0.168 0.000 2.102 166 F HA -0.190 4.339 4.527 0.004 0.000 0.298 166 F C 2.355 178.000 175.800 -0.257 0.000 1.105 166 F CA 1.268 59.130 58.000 -0.231 0.000 1.239 166 F CB -1.485 37.466 39.000 -0.082 0.000 0.991 166 F HN -0.012 nan 8.300 nan 0.000 0.474 167 L N -0.405 120.789 121.223 -0.049 0.000 2.046 167 L HA -0.249 4.093 4.340 0.003 0.000 0.208 167 L C 2.180 179.015 176.870 -0.059 0.000 1.077 167 L CA 1.350 56.149 54.840 -0.067 0.000 0.747 167 L CB -0.717 41.276 42.059 -0.110 0.000 0.896 167 L HN 0.120 nan 8.230 nan 0.000 0.432 168 N N -0.539 118.104 118.700 -0.094 0.000 2.142 168 N HA -0.140 4.602 4.740 0.003 0.000 0.186 168 N C 1.913 177.337 175.510 -0.144 0.000 1.023 168 N CA 1.966 54.974 53.050 -0.068 0.000 0.852 168 N CB -0.525 37.983 38.487 0.035 0.000 0.998 168 N HN 0.415 nan 8.380 nan 0.000 0.424 169 T N -3.491 110.856 114.554 -0.345 0.000 2.978 169 T HA 0.004 4.356 4.350 0.003 0.000 0.262 169 T C 1.776 176.367 174.700 -0.181 0.000 1.063 169 T CA 1.545 63.433 62.100 -0.353 0.000 1.140 169 T CB -0.335 68.087 68.868 -0.743 0.000 0.886 169 T HN 0.345 nan 8.240 nan 0.000 0.470 170 T N -3.317 111.160 114.554 -0.128 0.000 2.954 170 T HA 0.495 4.847 4.350 0.003 0.000 0.252 170 T C 1.947 176.709 174.700 0.105 0.000 0.983 170 T CA 0.797 62.864 62.100 -0.056 0.000 0.941 170 T CB -0.112 68.691 68.868 -0.109 0.000 1.141 170 T HN 0.871 nan 8.240 nan 0.000 0.500 171 G N 1.149 110.020 108.800 0.119 0.000 2.189 171 G HA2 -0.202 3.760 3.960 0.003 0.000 0.267 171 G HA3 -0.202 3.760 3.960 0.003 0.000 0.267 171 G C -0.153 174.904 174.900 0.263 0.000 0.975 171 G CA 0.482 45.694 45.100 0.188 0.000 0.644 171 G HN 0.547 nan 8.290 nan 0.000 0.537 172 F N 0.630 120.522 119.950 -0.096 0.000 2.618 172 F HA 0.833 5.362 4.527 0.004 0.000 0.332 172 F C 0.666 176.366 175.800 -0.166 0.000 1.061 172 F CA -0.787 57.136 58.000 -0.127 0.000 0.974 172 F CB 2.187 41.083 39.000 -0.172 0.000 1.310 172 F HN 0.502 nan 8.300 nan 0.000 0.491 173 S N -0.695 114.994 115.700 -0.020 0.000 2.656 173 S HA 0.548 5.020 4.470 0.003 0.000 0.273 173 S C -0.502 174.025 174.600 -0.121 0.000 1.168 173 S CA -0.577 57.603 58.200 -0.032 0.000 0.817 173 S CB 1.195 64.503 63.200 0.181 0.000 1.146 173 S HN 0.283 nan 8.310 nan 0.000 0.475 174 F N 1.353 121.392 119.950 0.148 0.000 2.374 174 F HA 0.273 4.802 4.527 0.003 0.000 0.291 174 F C 1.373 177.274 175.800 0.169 0.000 1.084 174 F CA 0.429 58.525 58.000 0.160 0.000 1.413 174 F CB 0.089 39.217 39.000 0.213 0.000 1.099 174 F HN 0.741 nan 8.300 nan 0.000 0.534 175 Q N 0.115 120.164 119.800 0.416 0.000 2.230 175 Q HA 0.253 4.595 4.340 0.003 0.000 0.253 175 Q C -0.767 175.333 176.000 0.166 0.000 0.919 175 Q CA -0.575 55.367 55.803 0.232 0.000 0.908 175 Q CB 1.295 30.115 28.738 0.137 0.000 1.245 175 Q HN 0.140 nan 8.270 nan 0.000 0.437 176 D N 0.239 120.675 120.400 0.060 0.000 2.723 176 D HA -0.166 4.476 4.640 0.003 0.000 0.236 176 D C -0.326 175.956 176.300 -0.030 0.000 1.138 176 D CA 1.036 55.048 54.000 0.019 0.000 0.676 176 D CB -1.906 38.948 40.800 0.091 0.000 1.069 176 D HN 0.774 nan 8.370 nan 0.000 0.430 177 c N -2.094 116.412 118.600 -0.157 0.000 2.358 177 c HA 0.744 5.316 4.570 0.003 0.000 0.354 177 c C 1.529 175.326 174.090 -0.488 0.000 1.183 177 c CA -0.629 55.602 56.329 -0.163 0.000 2.150 177 c CB 2.319 44.780 42.510 -0.082 0.000 2.361 177 c HN 0.424 nan 8.230 nan 0.000 0.535 178 H N -0.055 118.977 119.070 -0.062 0.000 1.920 178 H HA 0.168 4.726 4.556 0.003 0.000 0.186 178 H C 0.145 175.426 175.328 -0.078 0.000 0.924 178 H CA 0.299 56.312 56.048 -0.058 0.000 1.039 178 H CB 0.127 29.859 29.762 -0.051 0.000 1.126 178 H HN 0.611 nan 8.280 nan 0.000 0.379 179 D N 0.787 121.193 120.400 0.010 0.000 2.433 179 D HA 0.154 4.796 4.640 0.003 0.000 0.211 179 D C 0.317 176.459 176.300 -0.264 0.000 1.114 179 D CA 0.159 54.105 54.000 -0.090 0.000 0.837 179 D CB 1.057 41.804 40.800 -0.089 0.000 0.984 179 D HN 0.160 nan 8.370 nan 0.000 0.505 180 R N 0.334 120.594 120.500 -0.399 0.000 2.835 180 R HA 0.359 4.701 4.340 0.003 0.000 0.290 180 R C -0.847 175.118 176.300 -0.557 0.000 1.410 180 R CA -0.287 55.187 56.100 -1.043 0.000 1.590 180 R CB 0.529 30.122 30.300 -1.179 0.000 1.288 180 R HN -0.066 nan 8.270 nan 0.000 0.637 181 c N 1.595 120.131 118.600 -0.107 0.000 2.365 181 c HA 0.424 4.997 4.570 0.003 0.000 0.351 181 c C 0.743 174.925 174.090 0.153 0.000 1.240 181 c CA -0.794 55.548 56.329 0.022 0.000 2.062 181 c CB 0.409 42.910 42.510 -0.015 0.000 2.387 181 c HN 0.578 nan 8.230 nan 0.000 0.537 182 L N 2.938 124.047 121.223 -0.190 0.000 2.371 182 L HA 0.578 4.920 4.340 0.003 0.000 0.272 182 L C 0.586 177.284 176.870 -0.288 0.000 1.124 182 L CA 0.220 54.788 54.840 -0.455 0.000 0.816 182 L CB 0.535 41.834 42.059 -1.267 0.000 1.129 182 L HN 0.877 nan 8.230 nan 0.000 0.448 183 A N 2.574 125.350 122.820 -0.074 0.000 2.486 183 A HA 0.894 5.216 4.320 0.003 0.000 0.289 183 A C -1.165 176.589 177.584 0.284 0.000 1.176 183 A CA -0.469 51.650 52.037 0.136 0.000 0.757 183 A CB 1.638 20.519 19.000 -0.199 0.000 1.337 183 A HN 0.570 nan 8.150 nan 0.000 0.423 184 F N -1.707 118.367 119.950 0.207 0.000 2.588 184 F HA 0.804 5.333 4.527 0.003 0.000 0.314 184 F C -0.389 175.529 175.800 0.196 0.000 1.069 184 F CA -0.686 57.417 58.000 0.173 0.000 0.931 184 F CB 1.632 40.689 39.000 0.094 0.000 1.260 184 F HN 0.314 nan 8.300 nan 0.000 0.465 185 T N 2.517 117.318 114.554 0.411 0.000 2.758 185 T HA 0.284 4.636 4.350 0.003 0.000 0.285 185 T C -0.884 174.070 174.700 0.424 0.000 0.981 185 T CA -0.613 61.683 62.100 0.326 0.000 0.965 185 T CB 0.636 69.770 68.868 0.443 0.000 0.927 185 T HN 0.711 nan 8.240 nan 0.000 0.448 186 D N 2.362 123.011 120.400 0.416 0.000 2.312 186 D HA 0.398 5.040 4.640 0.003 0.000 0.248 186 D C -0.373 176.190 176.300 0.439 0.000 1.086 186 D CA -0.530 53.751 54.000 0.469 0.000 0.948 186 D CB 1.124 42.251 40.800 0.545 0.000 1.162 186 D HN 0.167 nan 8.370 nan 0.000 0.446 187 V N -0.084 120.066 119.914 0.392 0.000 2.628 187 V HA 0.721 4.843 4.120 0.003 0.000 0.306 187 V C -0.058 176.205 176.094 0.282 0.000 1.045 187 V CA -0.685 61.788 62.300 0.289 0.000 0.905 187 V CB 1.387 33.322 31.823 0.187 0.000 0.997 187 V HN 0.997 nan 8.190 nan 0.000 0.436 188 A N 6.226 129.159 122.820 0.188 0.000 2.423 188 A HA 1.014 5.336 4.320 0.003 0.000 0.304 188 A C -2.917 174.679 177.584 0.021 0.000 1.104 188 A CA -1.849 50.311 52.037 0.204 0.000 0.757 188 A CB 2.147 21.401 19.000 0.422 0.000 1.313 188 A HN 0.571 nan 8.150 nan 0.000 0.423 189 P HA 0.315 nan 4.420 nan 0.000 0.275 189 P C -0.904 176.493 177.300 0.162 0.000 1.266 189 P CA -0.275 62.863 63.100 0.062 0.000 0.793 189 P CB 0.553 32.177 31.700 -0.127 0.000 1.074 190 R N 0.490 121.103 120.500 0.189 0.000 3.301 190 R HA 0.630 4.972 4.340 0.003 0.000 0.286 190 R C 0.515 176.904 176.300 0.147 0.000 1.386 190 R CA -0.333 55.851 56.100 0.139 0.000 1.607 190 R CB 0.161 30.479 30.300 0.030 0.000 1.305 190 R HN 0.845 nan 8.270 nan 0.000 0.637 191 G N -0.419 108.517 108.800 0.227 0.000 2.302 191 G HA2 -0.106 3.857 3.960 0.003 0.000 0.276 191 G HA3 -0.106 3.857 3.960 0.003 0.000 0.276 191 G C -0.177 174.831 174.900 0.179 0.000 1.316 191 G CA -0.297 44.876 45.100 0.121 0.000 0.988 191 G HN 0.234 nan 8.290 nan 0.000 0.479 192 V N -3.254 116.576 119.914 -0.140 0.000 3.432 192 V HA 0.801 4.923 4.120 0.003 0.000 0.298 192 V C 0.577 176.130 176.094 -0.902 0.000 1.464 192 V CA 1.211 63.379 62.300 -0.220 0.000 1.046 192 V CB -0.026 31.737 31.823 -0.100 0.000 0.887 192 V HN 2.514 nan 8.190 nan 0.000 0.441 193 A N -0.353 121.586 122.820 -1.468 0.000 2.608 193 A HA 0.703 5.025 4.320 0.003 0.000 0.292 193 A C -0.250 176.603 177.584 -1.218 0.000 1.066 193 A CA 0.148 51.228 52.037 -1.596 0.000 0.676 193 A CB 0.973 19.543 19.000 -0.717 0.000 1.277 193 A HN 0.654 nan 8.150 nan 0.000 0.413 194 S N -0.269 115.053 115.700 -0.630 0.000 2.558 194 S HA 0.402 4.874 4.470 0.003 0.000 0.293 194 S C 1.500 176.025 174.600 -0.124 0.000 1.292 194 S CA 1.934 60.102 58.200 -0.054 0.000 1.063 194 S CB -0.045 63.203 63.200 0.079 0.000 0.831 194 S HN 2.691 nan 8.310 nan 0.000 0.499 195 G N 3.422 112.197 108.800 -0.041 0.000 2.195 195 G HA2 -0.198 3.764 3.960 0.003 0.000 0.246 195 G HA3 -0.198 3.764 3.960 0.003 0.000 0.246 195 G C -0.046 174.797 174.900 -0.095 0.000 0.984 195 G CA 0.284 45.334 45.100 -0.084 0.000 0.633 195 G HN 0.772 nan 8.290 nan 0.000 0.525 196 Q N -0.413 119.316 119.800 -0.118 0.000 2.227 196 Q HA 0.655 4.998 4.340 0.003 0.000 0.245 196 Q C 0.292 176.214 176.000 -0.130 0.000 0.926 196 Q CA -0.484 55.237 55.803 -0.136 0.000 0.895 196 Q CB 1.306 29.939 28.738 -0.173 0.000 1.230 196 Q HN 0.274 nan 8.270 nan 0.000 0.450 197 R N 1.658 122.023 120.500 -0.224 0.000 2.644 197 R HA 0.248 4.590 4.340 0.003 0.000 0.271 197 R C -1.219 174.789 176.300 -0.486 0.000 1.687 197 R CA -0.194 55.673 56.100 -0.389 0.000 1.655 197 R CB 0.433 30.408 30.300 -0.541 0.000 1.285 197 R HN 0.520 nan 8.270 nan 0.000 0.643 198 R N 0.941 121.285 120.500 -0.259 0.000 2.388 198 R HA 0.388 4.730 4.340 0.003 0.000 0.314 198 R C -0.999 175.233 176.300 -0.114 0.000 0.959 198 R CA -0.549 55.429 56.100 -0.203 0.000 0.851 198 R CB 2.271 32.465 30.300 -0.177 0.000 1.168 198 R HN 0.169 nan 8.270 nan 0.000 0.472 199 S N 1.933 117.597 115.700 -0.059 0.000 2.454 199 S HA 0.344 4.816 4.470 0.003 0.000 0.306 199 S C -0.891 173.659 174.600 -0.082 0.000 1.100 199 S CA -0.831 57.391 58.200 0.037 0.000 1.087 199 S CB 0.848 64.157 63.200 0.182 0.000 1.019 199 S HN 0.382 nan 8.310 nan 0.000 0.480 200 W N 3.062 124.401 121.300 0.066 0.000 2.266 200 W HA 0.472 5.134 4.660 0.004 0.000 0.317 200 W C -0.438 176.124 176.519 0.071 0.000 1.310 200 W CA -0.471 56.907 57.345 0.055 0.000 1.207 200 W CB 0.425 29.907 29.460 0.036 0.000 1.199 200 W HN 0.330 nan 8.180 nan 0.000 0.544 201 L N 5.794 127.213 121.223 0.327 0.000 2.349 201 L HA 0.480 4.822 4.340 0.003 0.000 0.278 201 L C -0.352 176.713 176.870 0.325 0.000 0.996 201 L CA -1.048 53.946 54.840 0.257 0.000 0.825 201 L CB 1.101 43.145 42.059 -0.025 0.000 1.243 201 L HN 0.265 nan 8.230 nan 0.000 0.412 202 I N 4.440 125.207 120.570 0.328 0.000 2.352 202 I HA 0.200 4.372 4.170 0.003 0.000 0.290 202 I C 0.039 176.347 176.117 0.319 0.000 1.036 202 I CA -0.422 61.043 61.300 0.275 0.000 1.336 202 I CB 1.011 39.134 38.000 0.206 0.000 1.407 202 I HN 0.340 nan 8.210 nan 0.000 0.497 203 I N 6.661 127.407 120.570 0.293 0.000 2.428 203 I HA 0.309 4.481 4.170 0.003 0.000 0.289 203 I C 0.133 176.357 176.117 0.179 0.000 1.019 203 I CA -0.205 61.256 61.300 0.268 0.000 1.351 203 I CB 0.869 39.017 38.000 0.247 0.000 1.412 203 I HN 0.654 nan 8.210 nan 0.000 0.513 204 Q N 4.788 124.667 119.800 0.131 0.000 2.495 204 Q HA 0.516 4.858 4.340 0.003 0.000 0.287 204 Q C -0.815 175.166 176.000 -0.033 0.000 1.078 204 Q CA -0.946 54.917 55.803 0.101 0.000 0.793 204 Q CB 2.679 31.539 28.738 0.203 0.000 1.459 204 Q HN 0.402 nan 8.270 nan 0.000 0.422 205 R N 1.096 121.531 120.500 -0.108 0.000 2.234 205 R HA 0.147 4.489 4.340 0.003 0.000 0.324 205 R C -0.911 175.319 176.300 -0.116 0.000 1.054 205 R CA -0.429 55.456 56.100 -0.360 0.000 0.912 205 R CB 0.483 30.257 30.300 -0.876 0.000 1.030 205 R HN 0.541 nan 8.270 nan 0.000 0.455 206 Y N 5.191 125.430 120.300 -0.102 0.000 2.517 206 Y HA 0.074 4.626 4.550 0.003 0.000 0.341 206 Y C -0.047 175.830 175.900 -0.039 0.000 1.247 206 Y CA -0.519 57.506 58.100 -0.126 0.000 1.774 206 Y CB -0.457 37.894 38.460 -0.181 0.000 1.641 206 Y HN 0.316 nan 8.280 nan 0.000 0.457 207 V N 1.166 120.906 119.914 -0.289 0.000 3.181 207 V HA 0.475 4.597 4.120 0.003 0.000 0.314 207 V C -0.003 175.871 176.094 -0.367 0.000 1.173 207 V CA -1.604 60.480 62.300 -0.359 0.000 1.052 207 V CB 1.497 33.068 31.823 -0.419 0.000 1.123 207 V HN 0.444 nan 8.190 nan 0.000 0.454 208 E N 0.967 120.990 120.200 -0.294 0.000 2.606 208 E HA 0.297 4.650 4.350 0.003 0.000 0.248 208 E C 0.913 177.394 176.600 -0.198 0.000 1.005 208 E CA 1.035 57.312 56.400 -0.204 0.000 0.946 208 E CB -0.401 29.220 29.700 -0.131 0.000 0.928 208 E HN 1.939 nan 8.360 nan 0.000 0.494 209 G N 4.532 113.182 108.800 -0.251 0.000 2.256 209 G HA2 -0.329 3.633 3.960 0.003 0.000 0.272 209 G HA3 -0.329 3.633 3.960 0.003 0.000 0.272 209 G C 0.170 174.772 174.900 -0.496 0.000 1.076 209 G CA 0.466 45.285 45.100 -0.469 0.000 0.882 209 G HN 0.846 nan 8.290 nan 0.000 0.497 210 Y N -2.343 117.638 120.300 -0.532 0.000 2.384 210 Y HA 0.055 4.608 4.550 0.004 0.000 0.289 210 Y C 2.252 178.009 175.900 -0.239 0.000 1.152 210 Y CA 1.280 59.171 58.100 -0.349 0.000 1.258 210 Y CB -0.746 37.511 38.460 -0.338 0.000 0.979 210 Y HN 0.291 nan 8.280 nan 0.000 0.549 211 F N 0.970 120.504 119.950 -0.694 0.000 2.192 211 F HA -0.197 4.332 4.527 0.004 0.000 0.301 211 F C 1.644 177.369 175.800 -0.125 0.000 1.079 211 F CA 1.146 58.892 58.000 -0.423 0.000 1.303 211 F CB -0.498 38.120 39.000 -0.636 0.000 1.024 211 F HN 0.097 nan 8.300 nan 0.000 0.494 212 L N -0.380 120.867 121.223 0.039 0.000 2.685 212 L HA 0.101 4.443 4.340 0.003 0.000 0.233 212 L C 0.069 176.872 176.870 -0.113 0.000 1.173 212 L CA 0.133 54.987 54.840 0.024 0.000 0.961 212 L CB -0.407 41.660 42.059 0.013 0.000 1.217 212 L HN 0.239 nan 8.230 nan 0.000 0.478 213 H N 1.014 120.145 119.070 0.102 0.000 2.429 213 H HA 0.270 4.828 4.556 0.004 0.000 0.237 213 H C -2.329 173.079 175.328 0.133 0.000 1.378 213 H CA -1.592 54.528 56.048 0.120 0.000 1.170 213 H CB 0.536 30.292 29.762 -0.010 0.000 1.671 213 H HN 0.080 nan 8.280 nan 0.000 0.541 214 P HA -0.007 nan 4.420 nan 0.000 0.271 214 P C 1.204 178.685 177.300 0.302 0.000 1.218 214 P CA 0.043 63.309 63.100 0.276 0.000 0.780 214 P CB 1.392 33.280 31.700 0.315 0.000 0.901 215 T N -2.213 112.434 114.554 0.156 0.000 3.037 215 T HA 0.274 4.626 4.350 0.003 0.000 0.251 215 T C 1.290 175.803 174.700 -0.311 0.000 1.079 215 T CA 0.795 62.908 62.100 0.021 0.000 1.067 215 T CB -0.591 68.278 68.868 0.001 0.000 0.948 215 T HN 0.635 nan 8.240 nan 0.000 0.496 216 G N 0.679 109.221 108.800 -0.430 0.000 2.201 216 G HA2 -0.129 3.833 3.960 0.003 0.000 0.212 216 G HA3 -0.129 3.833 3.960 0.003 0.000 0.212 216 G C -0.319 174.548 174.900 -0.054 0.000 0.994 216 G CA -0.065 44.426 45.100 -1.016 0.000 0.644 216 G HN 0.692 nan 8.290 nan 0.000 0.508 217 L N 1.602 122.985 121.223 0.266 0.000 2.309 217 L HA 0.840 5.182 4.340 0.003 0.000 0.282 217 L C -0.179 176.939 176.870 0.412 0.000 1.036 217 L CA -0.740 54.374 54.840 0.457 0.000 0.806 217 L CB 1.192 43.527 42.059 0.460 0.000 1.220 217 L HN 0.257 nan 8.230 nan 0.000 0.429 218 E N 5.398 125.899 120.200 0.501 0.000 2.293 218 E HA 0.599 4.951 4.350 0.003 0.000 0.270 218 E C -1.547 175.430 176.600 0.628 0.000 0.879 218 E CA -0.729 55.954 56.400 0.471 0.000 0.756 218 E CB 2.486 32.345 29.700 0.265 0.000 1.208 218 E HN 0.466 nan 8.360 nan 0.000 0.428 219 L N 2.327 123.863 121.223 0.522 0.000 2.386 219 L HA 0.460 4.802 4.340 0.003 0.000 0.271 219 L C -1.140 175.651 176.870 -0.131 0.000 0.993 219 L CA -1.121 53.870 54.840 0.252 0.000 0.819 219 L CB 1.629 43.754 42.059 0.109 0.000 1.294 219 L HN 0.303 nan 8.230 nan 0.000 0.414 220 L N 3.929 124.763 121.223 -0.649 0.000 2.257 220 L HA 0.556 4.898 4.340 0.003 0.000 0.290 220 L C -0.689 175.910 176.870 -0.453 0.000 1.044 220 L CA -0.111 54.140 54.840 -0.981 0.000 0.810 220 L CB 1.476 42.669 42.059 -1.443 0.000 1.193 220 L HN 0.292 nan 8.230 nan 0.000 0.425 221 V N 4.402 124.115 119.914 -0.336 0.000 2.448 221 V HA 0.332 4.454 4.120 0.003 0.000 0.295 221 V C -0.546 175.459 176.094 -0.148 0.000 1.025 221 V CA -0.783 61.394 62.300 -0.206 0.000 0.859 221 V CB 1.609 33.295 31.823 -0.227 0.000 0.988 221 V HN 0.662 nan 8.190 nan 0.000 0.431 222 D N 3.587 123.899 120.400 -0.146 0.000 2.365 222 D HA 0.201 4.843 4.640 0.003 0.000 0.237 222 D C 0.490 176.611 176.300 -0.298 0.000 1.190 222 D CA -0.162 53.726 54.000 -0.186 0.000 0.867 222 D CB 0.477 41.204 40.800 -0.122 0.000 1.050 222 D HN 0.841 nan 8.370 nan 0.000 0.491 223 H N 0.846 119.509 119.070 -0.678 0.000 2.505 223 H HA 0.448 5.006 4.556 0.003 0.000 0.260 223 H C 1.322 176.171 175.328 -0.798 0.000 1.168 223 H CA -0.701 54.447 56.048 -1.500 0.000 0.945 223 H CB 0.739 29.288 29.762 -2.022 0.000 1.800 223 H HN 0.316 nan 8.280 nan 0.000 0.586 224 G N 0.385 108.947 108.800 -0.396 0.000 2.394 224 G HA2 -0.215 3.747 3.960 0.003 0.000 0.215 224 G HA3 -0.215 3.747 3.960 0.003 0.000 0.215 224 G C 0.850 175.863 174.900 0.190 0.000 1.165 224 G CA 0.437 45.464 45.100 -0.122 0.000 0.784 224 G HN 0.478 nan 8.290 nan 0.000 0.535 225 S N 0.273 116.177 115.700 0.340 0.000 2.562 225 S HA 0.221 4.693 4.470 0.003 0.000 0.281 225 S C 1.886 176.814 174.600 0.546 0.000 1.333 225 S CA 0.593 59.049 58.200 0.428 0.000 1.052 225 S CB 0.945 64.430 63.200 0.476 0.000 0.884 225 S HN 0.432 nan 8.310 nan 0.000 0.506 226 T N 0.611 115.365 114.554 0.332 0.000 3.113 226 T HA 0.034 4.386 4.350 0.003 0.000 0.263 226 T C 0.274 175.037 174.700 0.105 0.000 1.143 226 T CA 0.378 62.645 62.100 0.279 0.000 1.090 226 T CB -0.251 68.684 68.868 0.111 0.000 0.922 226 T HN 0.558 nan 8.240 nan 0.000 0.521 227 D N 0.912 121.322 120.400 0.016 0.000 2.443 227 D HA 0.583 5.225 4.640 0.003 0.000 0.221 227 D C 1.134 177.147 176.300 -0.478 0.000 1.097 227 D CA -0.417 53.434 54.000 -0.249 0.000 0.865 227 D CB 1.168 41.716 40.800 -0.419 0.000 1.034 227 D HN 0.123 nan 8.370 nan 0.000 0.511 228 A N 3.189 125.536 122.820 -0.788 0.000 2.076 228 A HA -0.042 4.280 4.320 0.003 0.000 0.220 228 A C 2.032 179.123 177.584 -0.822 0.000 1.160 228 A CA 1.601 52.693 52.037 -1.574 0.000 0.653 228 A CB -0.594 17.595 19.000 -1.351 0.000 0.801 228 A HN 0.623 nan 8.150 nan 0.000 0.455 229 G N -1.281 107.222 108.800 -0.495 0.000 2.462 229 G HA2 -0.228 3.734 3.960 0.003 0.000 0.220 229 G HA3 -0.228 3.734 3.960 0.003 0.000 0.220 229 G C 1.242 176.082 174.900 -0.100 0.000 1.121 229 G CA 1.124 46.059 45.100 -0.276 0.000 0.758 229 G HN 0.835 nan 8.290 nan 0.000 0.559 230 H N -2.102 116.934 119.070 -0.056 0.000 2.548 230 H HA 0.071 4.629 4.556 0.003 0.000 0.268 230 H C 0.439 175.913 175.328 0.243 0.000 0.975 230 H CA -0.707 55.392 56.048 0.086 0.000 1.195 230 H CB 0.254 30.085 29.762 0.115 0.000 1.397 230 H HN 0.255 nan 8.280 nan 0.000 0.572 231 W N 1.486 122.855 121.300 0.116 0.000 2.181 231 W HA 0.447 5.109 4.660 0.004 0.000 0.335 231 W C 0.147 176.686 176.519 0.034 0.000 1.310 231 W CA -1.016 56.372 57.345 0.072 0.000 1.226 231 W CB -0.014 29.482 29.460 0.061 0.000 1.155 231 W HN -0.031 nan 8.180 nan 0.000 0.565 232 A N 1.928 124.875 122.820 0.213 0.000 2.486 232 A HA 0.634 4.956 4.320 0.003 0.000 0.300 232 A C -1.373 176.222 177.584 0.018 0.000 1.048 232 A CA -0.822 51.273 52.037 0.097 0.000 0.696 232 A CB 1.166 20.208 19.000 0.069 0.000 1.278 232 A HN 0.262 nan 8.150 nan 0.000 0.405 233 V N 2.595 122.508 119.914 -0.002 0.000 2.439 233 V HA 0.103 4.226 4.120 0.003 0.000 0.271 233 V C 1.240 177.311 176.094 -0.038 0.000 1.040 233 V CA 1.064 63.337 62.300 -0.045 0.000 1.002 233 V CB 0.301 32.111 31.823 -0.023 0.000 1.000 233 V HN 1.082 nan 8.190 nan 0.000 0.477 234 E N 3.445 123.595 120.200 -0.083 0.000 2.476 234 E HA 0.235 4.587 4.350 0.003 0.000 0.199 234 E C 0.489 177.071 176.600 -0.030 0.000 1.021 234 E CA -0.244 56.120 56.400 -0.059 0.000 0.907 234 E CB 0.734 30.383 29.700 -0.086 0.000 0.974 234 E HN 0.589 nan 8.360 nan 0.000 0.489 235 Q N 0.188 119.967 119.800 -0.035 0.000 2.527 235 Q HA 0.412 4.754 4.340 0.003 0.000 0.280 235 Q C -2.230 173.895 176.000 0.208 0.000 0.977 235 Q CA -0.712 55.159 55.803 0.113 0.000 0.837 235 Q CB 2.448 31.276 28.738 0.151 0.000 1.454 235 Q HN 0.060 nan 8.270 nan 0.000 0.387 236 V N 2.214 122.384 119.914 0.426 0.000 2.760 236 V HA 0.681 4.804 4.120 0.003 0.000 0.309 236 V C -1.470 175.007 176.094 0.638 0.000 1.077 236 V CA -0.651 61.933 62.300 0.474 0.000 0.910 236 V CB 1.904 33.904 31.823 0.294 0.000 1.008 236 V HN 0.841 nan 8.190 nan 0.000 0.424 237 W N 5.648 127.171 121.300 0.373 0.000 2.739 237 W HA 0.731 5.393 4.660 0.003 0.000 0.331 237 W C -1.895 174.729 176.519 0.175 0.000 1.049 237 W CA -0.703 56.693 57.345 0.085 0.000 1.234 237 W CB 1.657 30.943 29.460 -0.290 0.000 1.404 237 W HN 0.607 nan 8.180 nan 0.000 0.477 238 Y N 7.151 127.242 120.300 -0.349 0.000 2.361 238 Y HA 0.236 4.788 4.550 0.004 0.000 0.328 238 Y C 0.265 175.709 175.900 -0.759 0.000 1.044 238 Y CA -1.282 56.586 58.100 -0.385 0.000 1.085 238 Y CB 1.055 39.398 38.460 -0.195 0.000 1.194 238 Y HN 0.634 nan 8.280 nan 0.000 0.438 239 N N 4.156 121.904 118.700 -1.587 0.000 2.707 239 N HA -0.198 4.544 4.740 0.003 0.000 0.253 239 N C 0.673 175.680 175.510 -0.837 0.000 0.998 239 N CA 2.231 54.624 53.050 -1.095 0.000 0.751 239 N CB -1.098 36.747 38.487 -1.071 0.000 0.920 239 N HN 1.637 nan 8.380 nan 0.000 0.539 240 G N -1.612 106.348 108.800 -1.399 0.000 2.176 240 G HA2 -0.265 3.697 3.960 0.003 0.000 0.232 240 G HA3 -0.265 3.697 3.960 0.003 0.000 0.232 240 G C -0.103 174.421 174.900 -0.626 0.000 0.986 240 G CA 0.466 45.182 45.100 -0.640 0.000 0.643 240 G HN 0.644 nan 8.290 nan 0.000 0.522 241 K N -0.692 119.162 120.400 -0.911 0.000 2.435 241 K HA 0.682 5.004 4.320 0.003 0.000 0.251 241 K C -0.996 175.192 176.600 -0.686 0.000 0.954 241 K CA -0.935 54.987 56.287 -0.609 0.000 0.820 241 K CB 1.617 33.828 32.500 -0.482 0.000 1.292 241 K HN -0.014 nan 8.250 nan 0.000 0.436 242 F N 0.927 120.711 119.950 -0.278 0.000 2.379 242 F HA 0.265 4.794 4.527 0.003 0.000 0.332 242 F C 0.710 176.326 175.800 -0.307 0.000 1.096 242 F CA 0.147 58.122 58.000 -0.042 0.000 1.105 242 F CB 0.646 39.710 39.000 0.107 0.000 1.189 242 F HN 0.568 nan 8.300 nan 0.000 0.515 243 Y N -0.147 120.310 120.300 0.261 0.000 2.540 243 Y HA 0.286 4.838 4.550 0.003 0.000 0.257 243 Y C 1.537 177.508 175.900 0.119 0.000 1.090 243 Y CA 0.326 58.505 58.100 0.132 0.000 1.242 243 Y CB 0.954 39.443 38.460 0.048 0.000 1.325 243 Y HN 0.783 nan 8.280 nan 0.000 0.544 244 G N 0.769 109.742 108.800 0.288 0.000 3.206 244 G HA2 -0.313 3.649 3.960 0.003 0.000 0.217 244 G HA3 -0.313 3.649 3.960 0.003 0.000 0.217 244 G C 0.357 175.341 174.900 0.139 0.000 1.350 244 G CA 0.348 45.555 45.100 0.178 0.000 0.836 244 G HN 0.694 nan 8.290 nan 0.000 0.548 245 S N 0.161 115.937 115.700 0.127 0.000 2.588 245 S HA 0.760 5.232 4.470 0.003 0.000 0.275 245 S C -1.981 172.640 174.600 0.035 0.000 1.130 245 S CA -0.332 57.910 58.200 0.070 0.000 0.855 245 S CB 2.620 65.846 63.200 0.043 0.000 1.116 245 S HN 0.082 nan 8.310 nan 0.000 0.472 246 P HA 0.024 nan 4.420 nan 0.000 0.216 246 P C 1.741 178.983 177.300 -0.098 0.000 1.150 246 P CA 2.305 65.367 63.100 -0.063 0.000 0.837 246 P CB -0.260 31.420 31.700 -0.034 0.000 0.786 247 E N 0.683 120.856 120.200 -0.045 0.000 2.077 247 E HA -0.261 4.092 4.350 0.003 0.000 0.193 247 E C 2.014 178.590 176.600 -0.040 0.000 0.989 247 E CA 1.654 58.030 56.400 -0.040 0.000 0.800 247 E CB -1.533 28.161 29.700 -0.011 0.000 0.746 247 E HN 0.487 nan 8.360 nan 0.000 0.452 248 E N -0.496 119.700 120.200 -0.007 0.000 2.077 248 E HA -0.160 4.192 4.350 0.003 0.000 0.193 248 E C 2.174 178.760 176.600 -0.024 0.000 0.989 248 E CA 1.357 57.775 56.400 0.029 0.000 0.800 248 E CB -0.178 29.585 29.700 0.104 0.000 0.746 248 E HN 0.405 nan 8.360 nan 0.000 0.452 249 L N 0.890 122.020 121.223 -0.156 0.000 2.046 249 L HA -0.073 4.269 4.340 0.003 0.000 0.208 249 L C 2.258 178.878 176.870 -0.417 0.000 1.077 249 L CA 2.215 56.754 54.840 -0.502 0.000 0.747 249 L CB -0.851 40.743 42.059 -0.776 0.000 0.896 249 L HN 0.196 nan 8.230 nan 0.000 0.432 250 A N -0.218 122.422 122.820 -0.301 0.000 1.902 250 A HA -0.202 4.120 4.320 0.003 0.000 0.217 250 A C 2.657 180.218 177.584 -0.039 0.000 1.181 250 A CA 2.658 54.593 52.037 -0.169 0.000 0.623 250 A CB -0.959 17.966 19.000 -0.126 0.000 0.818 250 A HN 0.489 nan 8.150 nan 0.000 0.443 251 R N 0.245 120.720 120.500 -0.041 0.000 2.082 251 R HA -0.139 4.203 4.340 0.003 0.000 0.234 251 R C 2.211 178.513 176.300 0.003 0.000 1.136 251 R CA 2.082 58.176 56.100 -0.008 0.000 0.935 251 R CB -1.295 29.007 30.300 0.003 0.000 0.842 251 R HN 0.694 nan 8.270 nan 0.000 0.430 252 K N -1.067 119.340 120.400 0.012 0.000 2.152 252 K HA -0.154 4.168 4.320 0.003 0.000 0.206 252 K C 2.143 178.777 176.600 0.056 0.000 1.048 252 K CA 1.616 57.933 56.287 0.050 0.000 0.933 252 K CB -0.324 32.251 32.500 0.124 0.000 0.721 252 K HN 0.573 nan 8.250 nan 0.000 0.447 253 Y N 1.508 121.742 120.300 -0.110 0.000 2.163 253 Y HA -0.160 4.392 4.550 0.004 0.000 0.288 253 Y C 2.254 178.151 175.900 -0.005 0.000 1.136 253 Y CA 1.089 59.157 58.100 -0.054 0.000 1.147 253 Y CB -0.563 37.850 38.460 -0.079 0.000 0.987 253 Y HN 0.018 nan 8.280 nan 0.000 0.509 254 A N 0.306 123.054 122.820 -0.119 0.000 1.892 254 A HA -0.237 4.085 4.320 0.003 0.000 0.218 254 A C 1.663 179.153 177.584 -0.157 0.000 1.188 254 A CA 2.187 54.119 52.037 -0.176 0.000 0.631 254 A CB -0.962 18.006 19.000 -0.053 0.000 0.822 254 A HN 0.541 nan 8.150 nan 0.000 0.447 255 D N -0.894 119.457 120.400 -0.081 0.000 2.352 255 D HA 0.275 4.918 4.640 0.003 0.000 0.232 255 D C 1.329 177.599 176.300 -0.049 0.000 1.055 255 D CA 1.034 55.004 54.000 -0.049 0.000 0.891 255 D CB -0.481 40.313 40.800 -0.011 0.000 0.897 255 D HN 0.650 nan 8.370 nan 0.000 0.529 256 G N 1.232 109.976 108.800 -0.093 0.000 2.179 256 G HA2 -0.362 3.600 3.960 0.003 0.000 0.257 256 G HA3 -0.362 3.600 3.960 0.003 0.000 0.257 256 G C 0.613 175.523 174.900 0.017 0.000 1.010 256 G CA 0.218 45.283 45.100 -0.059 0.000 0.736 256 G HN 0.452 nan 8.290 nan 0.000 0.513 257 E N -0.957 119.271 120.200 0.046 0.000 2.465 257 E HA 0.334 4.686 4.350 0.003 0.000 0.195 257 E C 0.227 176.912 176.600 0.142 0.000 1.028 257 E CA -0.067 56.384 56.400 0.085 0.000 0.899 257 E CB 1.062 30.811 29.700 0.083 0.000 1.032 257 E HN 0.328 nan 8.360 nan 0.000 0.468 258 V N 1.462 121.482 119.914 0.177 0.000 2.409 258 V HA 0.253 4.375 4.120 0.003 0.000 0.291 258 V C -0.061 176.188 176.094 0.257 0.000 1.020 258 V CA -0.641 61.808 62.300 0.247 0.000 0.848 258 V CB 1.185 33.164 31.823 0.261 0.000 0.990 258 V HN 0.233 nan 8.190 nan 0.000 0.430 259 D N 4.205 124.741 120.400 0.227 0.000 2.348 259 D HA 0.455 5.097 4.640 0.003 0.000 0.259 259 D C 0.132 176.599 176.300 0.277 0.000 1.296 259 D CA 0.153 54.273 54.000 0.201 0.000 0.931 259 D CB 1.088 41.970 40.800 0.136 0.000 1.067 259 D HN 0.745 nan 8.370 nan 0.000 0.503 260 V N -0.392 119.702 119.914 0.299 0.000 2.837 260 V HA 0.766 4.888 4.120 0.003 0.000 0.310 260 V C 0.231 176.469 176.094 0.241 0.000 1.059 260 V CA -0.719 61.794 62.300 0.355 0.000 1.004 260 V CB 1.847 33.820 31.823 0.250 0.000 1.045 260 V HN 0.414 nan 8.190 nan 0.000 0.465 261 V N 3.833 123.890 119.914 0.240 0.000 2.313 261 V HA 0.330 4.452 4.120 0.003 0.000 0.278 261 V C 0.073 176.209 176.094 0.070 0.000 1.017 261 V CA -0.480 61.922 62.300 0.171 0.000 0.823 261 V CB 1.169 33.146 31.823 0.257 0.000 1.010 261 V HN 0.773 nan 8.190 nan 0.000 0.443 262 V N 6.920 126.871 119.914 0.062 0.000 2.455 262 V HA 0.283 4.406 4.120 0.003 0.000 0.273 262 V C 0.253 176.371 176.094 0.040 0.000 1.045 262 V CA -0.177 62.135 62.300 0.020 0.000 0.976 262 V CB 0.976 32.824 31.823 0.042 0.000 0.993 262 V HN 0.603 nan 8.190 nan 0.000 0.475 263 L N 3.813 125.041 121.223 0.009 0.000 2.334 263 L HA 0.541 4.883 4.340 0.003 0.000 0.277 263 L C 0.900 177.829 176.870 0.098 0.000 1.075 263 L CA -0.277 54.594 54.840 0.053 0.000 0.804 263 L CB 0.773 42.838 42.059 0.009 0.000 1.174 263 L HN 0.835 nan 8.230 nan 0.000 0.438 264 E N 1.550 121.843 120.200 0.154 0.000 2.422 264 E HA -0.013 4.339 4.350 0.003 0.000 0.260 264 E C -0.395 176.281 176.600 0.127 0.000 1.108 264 E CA -0.474 56.007 56.400 0.135 0.000 0.943 264 E CB 0.427 30.216 29.700 0.148 0.000 0.961 264 E HN 0.680 nan 8.360 nan 0.000 0.443 265 D N 0.954 121.425 120.400 0.119 0.000 2.383 265 D HA 0.153 4.795 4.640 0.003 0.000 0.252 265 D C -1.301 175.077 176.300 0.129 0.000 1.166 265 D CA -1.658 52.422 54.000 0.134 0.000 0.879 265 D CB 1.456 42.321 40.800 0.108 0.000 1.164 265 D HN 0.217 nan 8.370 nan 0.000 0.462 266 P HA 0.159 nan 4.420 nan 0.000 0.252 266 P C 0.085 177.429 177.300 0.074 0.000 1.218 266 P CA 0.166 63.324 63.100 0.097 0.000 0.807 266 P CB 0.660 32.369 31.700 0.016 0.000 1.072 279 P HA 0.500 nan 4.420 nan 0.000 0.268 279 P C -2.488 174.825 177.300 0.022 0.000 1.208 279 P CA -0.731 62.380 63.100 0.017 0.000 0.777 279 P CB 0.217 31.934 31.700 0.029 0.000 0.875 280 P HA 0.102 nan 4.420 nan 0.000 0.272 280 P C -0.501 176.820 177.300 0.035 0.000 1.223 280 P CA -0.574 62.535 63.100 0.014 0.000 0.784 280 P CB 0.276 31.979 31.700 0.005 0.000 0.923 281 L N 2.976 124.207 121.223 0.014 0.000 2.485 281 L HA 0.047 4.389 4.340 0.003 0.000 0.275 281 L C 1.302 178.166 176.870 -0.010 0.000 1.207 281 L CA 0.134 54.979 54.840 0.008 0.000 0.855 281 L CB -0.637 41.380 42.059 -0.071 0.000 1.114 281 L HN 0.458 nan 8.230 nan 0.000 0.485 282 F N 0.729 120.673 119.950 -0.010 0.000 2.250 282 F HA -0.147 4.382 4.527 0.003 0.000 0.301 282 F C 1.888 177.660 175.800 -0.046 0.000 1.077 282 F CA 1.093 59.054 58.000 -0.065 0.000 1.348 282 F CB -1.108 37.757 39.000 -0.225 0.000 1.040 282 F HN 0.557 nan 8.300 nan 0.000 0.509 283 S N -0.220 115.041 115.700 -0.732 0.000 2.631 283 S HA 0.148 4.620 4.470 0.003 0.000 0.217 283 S C 0.712 175.293 174.600 -0.032 0.000 0.958 283 S CA -0.187 57.785 58.200 -0.379 0.000 0.920 283 S CB -1.172 61.744 63.200 -0.473 0.000 0.776 283 S HN 0.538 nan 8.310 nan 0.000 0.517 284 S N 0.357 116.024 115.700 -0.056 0.000 2.646 284 S HA 0.445 4.917 4.470 0.003 0.000 0.276 284 S C 0.163 174.767 174.600 0.007 0.000 1.222 284 S CA -0.568 57.654 58.200 0.036 0.000 1.014 284 S CB 0.532 63.737 63.200 0.008 0.000 0.991 284 S HN 0.346 nan 8.310 nan 0.000 0.533 285 H N 0.253 119.311 119.070 -0.020 0.000 2.539 285 H HA 0.287 4.845 4.556 0.003 0.000 0.267 285 H C 0.144 175.441 175.328 -0.051 0.000 0.982 285 H CA 0.174 56.193 56.048 -0.050 0.000 1.146 285 H CB 0.058 29.783 29.762 -0.062 0.000 1.382 285 H HN 0.527 nan 8.280 nan 0.000 0.577 286 K N 2.003 122.438 120.400 0.058 0.000 2.489 286 K HA 0.036 4.358 4.320 0.003 0.000 0.278 286 K C -2.402 174.188 176.600 -0.017 0.000 1.000 286 K CA -1.432 54.862 56.287 0.011 0.000 1.012 286 K CB 0.166 32.664 32.500 -0.002 0.000 0.903 286 K HN 0.066 nan 8.250 nan 0.000 0.485 287 P HA -0.003 nan 4.420 nan 0.000 0.267 287 P C -0.804 176.455 177.300 -0.068 0.000 1.200 287 P CA 0.167 63.229 63.100 -0.064 0.000 0.772 287 P CB 0.627 32.283 31.700 -0.074 0.000 0.855 288 R N 0.844 121.288 120.500 -0.092 0.000 2.712 288 R HA 0.687 5.029 4.340 0.003 0.000 0.272 288 R C -0.361 175.864 176.300 -0.125 0.000 1.032 288 R CA -0.310 55.739 56.100 -0.085 0.000 0.874 288 R CB 0.467 30.739 30.300 -0.046 0.000 1.256 288 R HN 0.722 nan 8.270 nan 0.000 0.468 289 G N 0.773 109.507 108.800 -0.110 0.000 2.828 289 G HA2 -0.109 3.853 3.960 0.003 0.000 0.463 289 G HA3 -0.109 3.853 3.960 0.003 0.000 0.463 289 G C -1.597 173.187 174.900 -0.193 0.000 1.394 289 G CA -0.086 44.934 45.100 -0.134 0.000 0.862 289 G HN 0.760 nan 8.290 nan 0.000 0.540 290 D N -0.573 119.717 120.400 -0.183 0.000 2.934 290 D HA 0.512 5.154 4.640 0.003 0.000 0.230 290 D C -0.338 175.885 176.300 -0.128 0.000 1.204 290 D CA -0.383 53.508 54.000 -0.182 0.000 0.873 290 D CB 1.350 42.107 40.800 -0.072 0.000 1.645 290 D HN 0.162 nan 8.370 nan 0.000 0.502 291 F N 1.907 121.850 119.950 -0.012 0.000 2.450 291 F HA 0.184 4.714 4.527 0.004 0.000 0.339 291 F C -0.515 175.278 175.800 -0.012 0.000 1.146 291 F CA -1.680 56.313 58.000 -0.013 0.000 1.267 291 F CB -0.067 38.924 39.000 -0.014 0.000 1.178 291 F HN 0.207 nan 8.300 nan 0.000 0.585 292 P HA -0.051 nan 4.420 nan 0.000 0.218 292 P C 0.039 177.387 177.300 0.080 0.000 1.149 292 P CA 0.985 64.145 63.100 0.100 0.000 0.817 292 P CB -0.094 31.644 31.700 0.064 0.000 0.785 293 S N 1.747 117.498 115.700 0.084 0.000 2.423 293 S HA 0.523 4.995 4.470 0.003 0.000 0.317 293 S C -2.367 172.283 174.600 0.083 0.000 1.065 293 S CA -1.581 56.646 58.200 0.045 0.000 1.111 293 S CB -0.272 62.921 63.200 -0.010 0.000 0.968 293 S HN -0.077 nan 8.310 nan 0.000 0.474 294 P HA 0.276 nan 4.420 nan 0.000 0.267 294 P C -0.828 176.512 177.300 0.066 0.000 1.209 294 P CA 0.016 63.164 63.100 0.081 0.000 0.763 294 P CB 0.341 32.068 31.700 0.046 0.000 0.816 295 I N 2.203 122.829 120.570 0.093 0.000 2.330 295 I HA 0.253 4.425 4.170 0.003 0.000 0.286 295 I C 1.637 177.781 176.117 0.046 0.000 1.025 295 I CA -0.314 61.023 61.300 0.062 0.000 1.197 295 I CB 0.735 38.783 38.000 0.080 0.000 1.358 295 I HN 0.553 nan 8.210 nan 0.000 0.467 296 H N 5.446 124.530 119.070 0.023 0.000 2.648 296 H HA 0.459 5.017 4.556 0.003 0.000 0.265 296 H C 0.592 175.922 175.328 0.003 0.000 0.961 296 H CA 0.659 56.714 56.048 0.012 0.000 1.185 296 H CB 0.198 29.964 29.762 0.007 0.000 1.449 296 H HN 0.435 nan 8.280 nan 0.000 0.523 297 V N -0.926 118.990 119.914 0.003 0.000 2.994 297 V HA 0.679 4.801 4.120 0.003 0.000 0.318 297 V C 0.438 176.528 176.094 -0.006 0.000 1.085 297 V CA -0.512 61.785 62.300 -0.004 0.000 0.998 297 V CB 1.520 33.340 31.823 -0.004 0.000 1.063 297 V HN 0.619 nan 8.190 nan 0.000 0.447 298 S N 1.513 117.207 115.700 -0.011 0.000 2.572 298 S HA 0.558 5.031 4.470 0.003 0.000 0.279 298 S C 0.593 175.185 174.600 -0.012 0.000 1.341 298 S CA 0.009 58.200 58.200 -0.015 0.000 1.043 298 S CB 0.603 63.792 63.200 -0.018 0.000 0.887 298 S HN 1.721 nan 8.310 nan 0.000 0.516 299 G N 1.328 110.119 108.800 -0.014 0.000 2.621 299 G HA2 0.520 4.482 3.960 0.003 0.000 0.271 299 G HA3 0.520 4.482 3.960 0.003 0.000 0.271 299 G C -2.203 172.690 174.900 -0.011 0.000 1.236 299 G CA -1.354 43.738 45.100 -0.014 0.000 0.958 299 G HN 0.695 nan 8.290 nan 0.000 0.512 300 P HA 0.530 nan 4.420 nan 0.000 0.272 300 P C -0.199 177.099 177.300 -0.003 0.000 1.223 300 P CA -0.131 62.967 63.100 -0.003 0.000 0.784 300 P CB 0.636 32.335 31.700 -0.001 0.000 0.923 301 R N 0.814 121.316 120.500 0.003 0.000 2.808 301 R HA 0.538 4.880 4.340 0.003 0.000 0.272 301 R C -0.697 175.612 176.300 0.015 0.000 0.995 301 R CA -0.838 55.264 56.100 0.005 0.000 0.917 301 R CB 0.108 30.411 30.300 0.006 0.000 1.217 301 R HN 0.408 nan 8.270 nan 0.000 0.471 302 L N 1.302 122.535 121.223 0.016 0.000 2.426 302 L HA 0.535 4.877 4.340 0.003 0.000 0.271 302 L C 0.575 177.468 176.870 0.038 0.000 1.169 302 L CA 0.076 54.936 54.840 0.032 0.000 0.836 302 L CB 1.554 43.632 42.059 0.031 0.000 1.112 302 L HN 0.707 nan 8.230 nan 0.000 0.465 303 V N 1.133 121.076 119.914 0.048 0.000 2.769 303 V HA 0.613 4.735 4.120 0.003 0.000 0.312 303 V C -0.481 175.651 176.094 0.063 0.000 1.061 303 V CA -0.714 61.614 62.300 0.047 0.000 0.931 303 V CB 1.742 33.587 31.823 0.036 0.000 1.010 303 V HN 0.796 nan 8.190 nan 0.000 0.433 304 Q N 3.103 122.936 119.800 0.055 0.000 3.048 304 Q HA 0.379 4.722 4.340 0.003 0.000 0.337 304 Q C -1.931 174.087 176.000 0.030 0.000 0.845 304 Q CA -1.527 54.318 55.803 0.070 0.000 0.942 304 Q CB 1.736 30.519 28.738 0.076 0.000 1.454 304 Q HN 0.787 nan 8.270 nan 0.000 0.392 305 P HA -0.179 nan 4.420 nan 0.000 0.220 305 P C 0.459 177.598 177.300 -0.268 0.000 1.148 305 P CA 1.183 64.187 63.100 -0.160 0.000 0.803 305 P CB 0.200 31.748 31.700 -0.252 0.000 0.782 306 H N -0.680 118.402 119.070 0.019 0.000 2.547 306 H HA 0.234 4.792 4.556 0.004 0.000 0.266 306 H C 1.455 176.779 175.328 -0.007 0.000 0.988 306 H CA 0.914 56.969 56.048 0.012 0.000 1.147 306 H CB -0.132 29.643 29.762 0.021 0.000 1.365 306 H HN 0.199 nan 8.280 nan 0.000 0.589 307 G N 1.580 110.413 108.800 0.054 0.000 2.782 307 G HA2 -0.217 3.745 3.960 0.003 0.000 0.228 307 G HA3 -0.217 3.745 3.960 0.003 0.000 0.228 307 G C -2.655 172.216 174.900 -0.048 0.000 1.372 307 G CA -1.033 44.065 45.100 -0.003 0.000 0.862 307 G HN 0.094 nan 8.290 nan 0.000 0.547 308 P HA 0.287 nan 4.420 nan 0.000 0.268 308 P C 0.688 177.790 177.300 -0.329 0.000 1.205 308 P CA -0.008 62.819 63.100 -0.455 0.000 0.771 308 P CB 0.440 31.543 31.700 -0.995 0.000 0.858 309 R N 1.812 122.202 120.500 -0.183 0.000 2.312 309 R HA 0.158 4.500 4.340 0.003 0.000 0.205 309 R C 0.549 176.935 176.300 0.143 0.000 0.904 309 R CA 0.170 56.288 56.100 0.030 0.000 1.052 309 R CB -0.230 30.179 30.300 0.183 0.000 1.014 309 R HN 0.510 nan 8.270 nan 0.000 0.503 310 F N 0.008 120.051 119.950 0.155 0.000 2.378 310 F HA 0.487 5.016 4.527 0.003 0.000 0.325 310 F C -0.022 175.809 175.800 0.052 0.000 1.097 310 F CA -1.462 56.617 58.000 0.133 0.000 1.079 310 F CB 0.612 39.615 39.000 0.006 0.000 1.240 310 F HN -0.384 nan 8.300 nan 0.000 0.519 311 R N 2.758 123.387 120.500 0.214 0.000 2.275 311 R HA 0.523 4.865 4.340 0.003 0.000 0.326 311 R C -1.582 174.811 176.300 0.155 0.000 0.973 311 R CA -0.861 55.300 56.100 0.102 0.000 0.854 311 R CB 1.477 31.804 30.300 0.046 0.000 1.156 311 R HN 0.680 nan 8.270 nan 0.000 0.487 312 L N 2.103 123.448 121.223 0.204 0.000 2.287 312 L HA 0.390 4.732 4.340 0.003 0.000 0.287 312 L C -0.689 176.247 176.870 0.108 0.000 1.022 312 L CA -0.022 54.930 54.840 0.187 0.000 0.814 312 L CB 1.362 43.607 42.059 0.311 0.000 1.217 312 L HN 0.657 nan 8.230 nan 0.000 0.420 313 E N 4.284 124.521 120.200 0.062 0.000 2.317 313 E HA 0.534 4.886 4.350 0.003 0.000 0.270 313 E C 0.350 176.957 176.600 0.012 0.000 0.899 313 E CA 0.098 56.521 56.400 0.038 0.000 0.814 313 E CB 0.895 30.605 29.700 0.017 0.000 1.296 313 E HN 0.996 nan 8.360 nan 0.000 0.404 314 G N 4.760 113.576 108.800 0.026 0.000 2.596 314 G HA2 -0.396 3.566 3.960 0.003 0.000 0.304 314 G HA3 -0.396 3.566 3.960 0.003 0.000 0.304 314 G C 0.427 175.276 174.900 -0.086 0.000 1.189 314 G CA 0.584 45.679 45.100 -0.009 0.000 0.986 314 G HN 0.781 nan 8.290 nan 0.000 0.548 315 N N 1.792 120.337 118.700 -0.258 0.000 2.273 315 N HA 0.553 5.295 4.740 0.003 0.000 0.231 315 N C 0.255 175.420 175.510 -0.574 0.000 1.134 315 N CA 0.994 53.581 53.050 -0.772 0.000 0.856 315 N CB 0.461 38.474 38.487 -0.790 0.000 1.068 315 N HN 1.299 nan 8.380 nan 0.000 0.510 316 A N 0.246 122.924 122.820 -0.237 0.000 2.317 316 A HA 0.692 5.014 4.320 0.003 0.000 0.327 316 A C -0.649 176.819 177.584 -0.193 0.000 1.178 316 A CA -0.567 51.357 52.037 -0.189 0.000 0.817 316 A CB 1.453 20.386 19.000 -0.111 0.000 1.189 316 A HN 0.049 nan 8.150 nan 0.000 0.489 317 V N 3.133 122.789 119.914 -0.431 0.000 2.656 317 V HA 0.487 4.609 4.120 0.003 0.000 0.307 317 V C -0.517 175.324 176.094 -0.422 0.000 1.051 317 V CA -0.330 61.658 62.300 -0.519 0.000 0.893 317 V CB 1.524 32.692 31.823 -1.093 0.000 0.999 317 V HN 0.782 nan 8.190 nan 0.000 0.426 318 L N 4.698 125.838 121.223 -0.138 0.000 2.362 318 L HA 0.611 4.953 4.340 0.003 0.000 0.275 318 L C -1.426 175.550 176.870 0.176 0.000 0.998 318 L CA -0.690 54.146 54.840 -0.006 0.000 0.820 318 L CB 1.851 43.910 42.059 0.000 0.000 1.270 318 L HN 0.724 nan 8.230 nan 0.000 0.415 319 Y N 3.116 123.471 120.300 0.092 0.000 2.325 319 Y HA 0.531 5.083 4.550 0.003 0.000 0.336 319 Y C 0.452 176.486 175.900 0.224 0.000 1.130 319 Y CA -0.128 58.085 58.100 0.188 0.000 1.264 319 Y CB 1.067 39.648 38.460 0.202 0.000 1.128 319 Y HN 0.773 nan 8.280 nan 0.000 0.469 320 G N 3.564 112.281 108.800 -0.139 0.000 2.634 320 G HA2 -0.424 3.538 3.960 0.003 0.000 0.318 320 G HA3 -0.424 3.538 3.960 0.003 0.000 0.318 320 G C 1.287 175.995 174.900 -0.321 0.000 1.207 320 G CA 0.570 45.518 45.100 -0.252 0.000 0.987 320 G HN 1.551 nan 8.290 nan 0.000 0.547 321 G N -0.363 108.062 108.800 -0.625 0.000 2.484 321 G HA2 0.192 4.154 3.960 0.003 0.000 0.218 321 G HA3 0.192 4.154 3.960 0.003 0.000 0.218 321 G C 0.709 174.987 174.900 -1.036 0.000 1.130 321 G CA 0.780 45.063 45.100 -1.361 0.000 0.784 321 G HN 0.517 nan 8.290 nan 0.000 0.543 322 W N 0.060 121.132 121.300 -0.381 0.000 2.251 322 W HA 0.604 5.266 4.660 0.003 0.000 0.329 322 W C 0.417 176.930 176.519 -0.010 0.000 1.234 322 W CA -0.452 56.890 57.345 -0.005 0.000 1.228 322 W CB 1.227 30.830 29.460 0.239 0.000 1.135 322 W HN -0.051 nan 8.180 nan 0.000 0.576 323 S N 3.801 119.723 115.700 0.370 0.000 2.614 323 S HA 0.759 5.231 4.470 0.003 0.000 0.275 323 S C -1.239 173.520 174.600 0.264 0.000 1.161 323 S CA -0.737 57.551 58.200 0.147 0.000 0.969 323 S CB 0.060 63.266 63.200 0.011 0.000 1.059 323 S HN 0.437 nan 8.310 nan 0.000 0.482 324 F N 1.696 121.648 119.950 0.004 0.000 2.741 324 F HA 0.937 5.466 4.527 0.003 0.000 0.313 324 F C -0.836 174.931 175.800 -0.054 0.000 1.153 324 F CA -1.003 56.975 58.000 -0.037 0.000 0.931 324 F CB 0.775 39.705 39.000 -0.116 0.000 1.335 324 F HN 0.700 nan 8.300 nan 0.000 0.460 325 A N 1.240 124.125 122.820 0.110 0.000 2.384 325 A HA 0.938 5.260 4.320 0.003 0.000 0.312 325 A C -1.558 176.101 177.584 0.125 0.000 1.113 325 A CA -0.698 51.330 52.037 -0.016 0.000 0.779 325 A CB 1.220 20.214 19.000 -0.009 0.000 1.307 325 A HN 1.249 nan 8.150 nan 0.000 0.436 326 F N -0.591 119.400 119.950 0.070 0.000 2.629 326 F HA 0.925 5.454 4.527 0.004 0.000 0.316 326 F C -0.324 175.511 175.800 0.059 0.000 1.081 326 F CA -1.034 57.002 58.000 0.061 0.000 0.954 326 F CB 1.584 40.665 39.000 0.136 0.000 1.337 326 F HN 0.874 nan 8.300 nan 0.000 0.474 327 R N 1.286 121.951 120.500 0.274 0.000 2.734 327 R HA 0.792 5.134 4.340 0.003 0.000 0.271 327 R C -2.519 173.924 176.300 0.238 0.000 1.021 327 R CA -1.132 55.097 56.100 0.214 0.000 0.893 327 R CB 1.958 32.329 30.300 0.119 0.000 1.244 327 R HN 0.878 nan 8.270 nan 0.000 0.464 328 L N 1.788 123.135 121.223 0.207 0.000 2.337 328 L HA 0.485 4.827 4.340 0.003 0.000 0.269 328 L C -0.515 176.439 176.870 0.139 0.000 1.018 328 L CA -0.502 54.435 54.840 0.161 0.000 0.876 328 L CB 1.207 43.374 42.059 0.181 0.000 1.236 328 L HN 0.703 nan 8.230 nan 0.000 0.436 329 R N 2.388 122.940 120.500 0.086 0.000 2.316 329 R HA 0.192 4.534 4.340 0.003 0.000 0.314 329 R C 1.030 177.350 176.300 0.033 0.000 1.069 329 R CA 0.349 56.495 56.100 0.077 0.000 0.959 329 R CB 0.886 31.218 30.300 0.054 0.000 0.987 329 R HN 0.837 nan 8.270 nan 0.000 0.446 330 S N 1.560 117.301 115.700 0.067 0.000 2.383 330 S HA -0.213 4.259 4.470 0.003 0.000 0.229 330 S C 1.762 176.291 174.600 -0.118 0.000 1.030 330 S CA 1.771 59.932 58.200 -0.066 0.000 1.002 330 S CB -0.089 63.158 63.200 0.077 0.000 0.829 330 S HN 0.850 nan 8.310 nan 0.000 0.467 331 S N 1.951 117.655 115.700 0.007 0.000 2.335 331 S HA -0.064 4.408 4.470 0.003 0.000 0.217 331 S C 1.974 176.550 174.600 -0.041 0.000 1.032 331 S CA 1.279 59.494 58.200 0.025 0.000 0.985 331 S CB -0.551 62.706 63.200 0.094 0.000 0.896 331 S HN 0.621 nan 8.310 nan 0.000 0.445 332 S N 0.216 115.886 115.700 -0.050 0.000 2.520 332 S HA 0.601 5.073 4.470 0.003 0.000 0.219 332 S C 1.082 175.565 174.600 -0.196 0.000 1.028 332 S CA 0.282 58.424 58.200 -0.097 0.000 0.921 332 S CB 0.113 63.276 63.200 -0.063 0.000 0.844 332 S HN 1.425 nan 8.310 nan 0.000 0.495 333 G N 1.212 109.907 108.800 -0.174 0.000 2.384 333 G HA2 0.054 4.016 3.960 0.003 0.000 0.204 333 G HA3 0.054 4.016 3.960 0.003 0.000 0.204 333 G C -1.133 173.681 174.900 -0.142 0.000 1.237 333 G CA -0.506 44.445 45.100 -0.249 0.000 1.060 333 G HN 0.614 nan 8.290 nan 0.000 0.514 334 L N 1.356 122.481 121.223 -0.162 0.000 2.416 334 L HA 0.607 4.949 4.340 0.003 0.000 0.272 334 L C 0.583 177.549 176.870 0.160 0.000 1.161 334 L CA 0.574 55.453 54.840 0.065 0.000 0.845 334 L CB 0.699 42.845 42.059 0.145 0.000 1.119 334 L HN 0.660 nan 8.230 nan 0.000 0.464 335 Q N 3.871 123.748 119.800 0.129 0.000 2.389 335 Q HA 0.665 5.007 4.340 0.003 0.000 0.277 335 Q C -1.372 174.562 176.000 -0.110 0.000 1.082 335 Q CA -1.023 54.769 55.803 -0.018 0.000 0.810 335 Q CB 2.567 31.283 28.738 -0.037 0.000 1.374 335 Q HN 0.523 nan 8.270 nan 0.000 0.422 336 V N -0.386 119.297 119.914 -0.385 0.000 2.581 336 V HA 0.785 4.907 4.120 0.003 0.000 0.303 336 V C -0.834 175.058 176.094 -0.337 0.000 1.041 336 V CA -0.780 61.338 62.300 -0.305 0.000 0.907 336 V CB 1.176 32.699 31.823 -0.500 0.000 0.994 336 V HN 0.632 nan 8.190 nan 0.000 0.442 337 L N 2.502 123.516 121.223 -0.349 0.000 2.371 337 L HA 0.645 4.987 4.340 0.003 0.000 0.262 337 L C 0.424 176.967 176.870 -0.544 0.000 1.006 337 L CA -0.704 53.731 54.840 -0.673 0.000 0.818 337 L CB 1.652 42.936 42.059 -1.291 0.000 1.354 337 L HN 0.865 nan 8.230 nan 0.000 0.415 338 N N 0.488 118.853 118.700 -0.558 0.000 2.725 338 N HA -0.164 4.578 4.740 0.003 0.000 0.251 338 N C -0.976 174.635 175.510 0.168 0.000 1.031 338 N CA 0.336 53.304 53.050 -0.135 0.000 0.720 338 N CB -0.558 37.913 38.487 -0.026 0.000 0.930 338 N HN 0.348 nan 8.380 nan 0.000 0.543 339 V N 1.900 121.872 119.914 0.097 0.000 2.470 339 V HA 0.198 4.320 4.120 0.003 0.000 0.276 339 V C 0.575 176.824 176.094 0.259 0.000 1.040 339 V CA -0.013 62.441 62.300 0.257 0.000 1.008 339 V CB 0.700 32.627 31.823 0.173 0.000 0.990 339 V HN 0.359 nan 8.190 nan 0.000 0.477 340 H N 3.754 122.985 119.070 0.268 0.000 2.569 340 H HA 0.661 5.219 4.556 0.003 0.000 0.357 340 H C -1.041 174.446 175.328 0.266 0.000 1.153 340 H CA -0.684 55.494 56.048 0.216 0.000 1.193 340 H CB 1.858 31.706 29.762 0.144 0.000 1.602 340 H HN 0.591 nan 8.280 nan 0.000 0.523 341 F N 0.523 120.551 119.950 0.129 0.000 2.539 341 F HA 0.448 4.977 4.527 0.004 0.000 0.318 341 F C 0.798 176.708 175.800 0.183 0.000 1.135 341 F CA 0.148 58.119 58.000 -0.048 0.000 0.915 341 F CB 1.473 40.227 39.000 -0.410 0.000 1.176 341 F HN 0.774 nan 8.300 nan 0.000 0.440 342 G N 3.124 111.819 108.800 -0.175 0.000 2.198 342 G HA2 0.008 3.970 3.960 0.003 0.000 0.260 342 G HA3 0.008 3.970 3.960 0.003 0.000 0.260 342 G C 1.017 176.003 174.900 0.144 0.000 1.025 342 G CA 0.559 45.686 45.100 0.045 0.000 0.769 342 G HN 2.216 nan 8.290 nan 0.000 0.507 343 G N -1.599 107.281 108.800 0.134 0.000 2.159 343 G HA2 -0.203 3.759 3.960 0.003 0.000 0.256 343 G HA3 -0.203 3.759 3.960 0.003 0.000 0.256 343 G C -0.007 175.095 174.900 0.337 0.000 0.977 343 G CA 0.961 46.169 45.100 0.180 0.000 0.652 343 G HN 1.174 nan 8.290 nan 0.000 0.531 344 E N -0.185 120.233 120.200 0.363 0.000 2.199 344 E HA 0.481 4.833 4.350 0.003 0.000 0.269 344 E C 0.176 176.804 176.600 0.047 0.000 0.899 344 E CA -1.049 55.516 56.400 0.274 0.000 0.772 344 E CB 1.848 31.736 29.700 0.315 0.000 1.155 344 E HN 0.300 nan 8.360 nan 0.000 0.408 345 R N 2.508 122.832 120.500 -0.293 0.000 2.537 345 R HA 0.102 4.444 4.340 0.003 0.000 0.280 345 R C 0.938 177.121 176.300 -0.194 0.000 1.058 345 R CA 0.304 56.069 56.100 -0.559 0.000 1.057 345 R CB 0.344 30.360 30.300 -0.474 0.000 0.973 345 R HN 0.735 nan 8.270 nan 0.000 0.438 346 I N 0.379 120.798 120.570 -0.251 0.000 4.124 346 I HA 0.457 4.630 4.170 0.003 0.000 0.311 346 I C -0.019 175.935 176.117 -0.272 0.000 1.259 346 I CA -0.093 60.986 61.300 -0.368 0.000 1.315 346 I CB 0.867 38.421 38.000 -0.745 0.000 1.223 346 I HN 0.430 nan 8.210 nan 0.000 0.441 347 A N -0.307 122.407 122.820 -0.177 0.000 2.437 347 A HA 0.428 4.750 4.320 0.003 0.000 0.293 347 A C -0.537 177.008 177.584 -0.066 0.000 1.038 347 A CA -0.535 51.426 52.037 -0.128 0.000 0.708 347 A CB 0.518 19.425 19.000 -0.155 0.000 1.251 347 A HN 0.312 nan 8.150 nan 0.000 0.409 348 Y N 1.622 121.838 120.300 -0.140 0.000 2.263 348 Y HA 0.147 4.699 4.550 0.003 0.000 0.292 348 Y C 0.774 176.582 175.900 -0.153 0.000 1.130 348 Y CA 2.354 60.385 58.100 -0.115 0.000 1.179 348 Y CB 0.382 38.788 38.460 -0.091 0.000 0.998 348 Y HN 0.698 nan 8.280 nan 0.000 0.532 349 E N -0.034 120.085 120.200 -0.135 0.000 2.335 349 E HA 0.467 4.820 4.350 0.003 0.000 0.280 349 E C -2.124 174.363 176.600 -0.189 0.000 0.918 349 E CA -0.628 55.645 56.400 -0.211 0.000 0.765 349 E CB 1.975 31.626 29.700 -0.082 0.000 1.218 349 E HN -0.158 nan 8.360 nan 0.000 0.425 350 V N 3.029 122.798 119.914 -0.242 0.000 2.443 350 V HA 0.542 4.664 4.120 0.003 0.000 0.293 350 V C -0.584 175.425 176.094 -0.141 0.000 1.021 350 V CA -0.590 61.597 62.300 -0.187 0.000 0.848 350 V CB 1.318 32.983 31.823 -0.262 0.000 0.998 350 V HN 0.693 nan 8.190 nan 0.000 0.424 351 S N 3.044 118.774 115.700 0.049 0.000 2.546 351 S HA 0.751 5.223 4.470 0.003 0.000 0.274 351 S C -0.806 173.854 174.600 0.100 0.000 1.121 351 S CA -0.861 57.393 58.200 0.090 0.000 0.887 351 S CB 1.792 64.981 63.200 -0.018 0.000 1.094 351 S HN 0.404 nan 8.310 nan 0.000 0.474 352 V N 3.237 123.117 119.914 -0.057 0.000 2.585 352 V HA 0.172 4.294 4.120 0.003 0.000 0.296 352 V C 0.722 176.620 176.094 -0.326 0.000 1.035 352 V CA 0.181 62.202 62.300 -0.465 0.000 1.084 352 V CB 0.764 32.103 31.823 -0.806 0.000 0.953 352 V HN 0.962 nan 8.190 nan 0.000 0.483 353 Q N 1.959 121.550 119.800 -0.349 0.000 2.471 353 Q HA 0.296 4.638 4.340 0.003 0.000 0.241 353 Q C 0.348 176.204 176.000 -0.239 0.000 0.886 353 Q CA 0.342 56.018 55.803 -0.212 0.000 0.953 353 Q CB 1.152 29.814 28.738 -0.127 0.000 1.108 353 Q HN 0.838 nan 8.270 nan 0.000 0.575 354 E N -0.875 119.134 120.200 -0.319 0.000 2.388 354 E HA 0.634 4.986 4.350 0.003 0.000 0.280 354 E C -2.070 174.482 176.600 -0.081 0.000 1.019 354 E CA -0.416 55.871 56.400 -0.189 0.000 0.806 354 E CB 1.790 31.357 29.700 -0.222 0.000 1.246 354 E HN 0.055 nan 8.360 nan 0.000 0.443 355 A N 1.852 124.755 122.820 0.139 0.000 2.375 355 A HA 0.716 5.038 4.320 0.003 0.000 0.295 355 A C -1.093 176.696 177.584 0.342 0.000 1.066 355 A CA -0.185 52.008 52.037 0.260 0.000 0.722 355 A CB 0.806 20.027 19.000 0.368 0.000 1.206 355 A HN 0.994 nan 8.150 nan 0.000 0.435 356 V N -0.754 119.367 119.914 0.344 0.000 2.914 356 V HA 1.009 5.131 4.120 0.003 0.000 0.314 356 V C -0.200 176.016 176.094 0.204 0.000 1.084 356 V CA -0.434 62.047 62.300 0.303 0.000 0.963 356 V CB 1.670 33.658 31.823 0.275 0.000 1.025 356 V HN 2.038 nan 8.190 nan 0.000 0.432 357 A N 4.501 127.425 122.820 0.173 0.000 2.357 357 A HA 0.839 5.161 4.320 0.003 0.000 0.295 357 A C -1.021 176.543 177.584 -0.032 0.000 1.121 357 A CA -0.515 51.516 52.037 -0.011 0.000 0.742 357 A CB 0.958 20.013 19.000 0.091 0.000 1.181 357 A HN 1.013 nan 8.150 nan 0.000 0.454 358 L N 3.012 124.115 121.223 -0.200 0.000 2.298 358 L HA 0.505 4.847 4.340 0.003 0.000 0.284 358 L C -1.068 175.688 176.870 -0.190 0.000 1.013 358 L CA -0.485 54.288 54.840 -0.110 0.000 0.824 358 L CB 1.018 43.021 42.059 -0.094 0.000 1.221 358 L HN 0.735 nan 8.230 nan 0.000 0.418 359 Y N 1.025 121.322 120.300 -0.005 0.000 2.534 359 Y HA 0.737 5.289 4.550 0.004 0.000 0.329 359 Y C 0.824 176.742 175.900 0.029 0.000 1.154 359 Y CA -0.473 57.652 58.100 0.040 0.000 1.192 359 Y CB 2.149 40.624 38.460 0.025 0.000 1.275 359 Y HN 0.510 nan 8.280 nan 0.000 0.491 360 G N -0.767 108.166 108.800 0.222 0.000 2.537 360 G HA2 0.665 4.627 3.960 0.003 0.000 0.308 360 G HA3 0.665 4.627 3.960 0.003 0.000 0.308 360 G C -1.025 173.928 174.900 0.089 0.000 1.237 360 G CA -0.694 44.493 45.100 0.146 0.000 0.968 360 G HN 0.889 nan 8.290 nan 0.000 0.481 361 G N -1.107 107.570 108.800 -0.205 0.000 2.632 361 G HA2 0.470 4.432 3.960 0.003 0.000 0.292 361 G HA3 0.470 4.432 3.960 0.003 0.000 0.292 361 G C 0.194 174.721 174.900 -0.621 0.000 1.465 361 G CA -0.126 44.805 45.100 -0.282 0.000 0.824 361 G HN 0.885 nan 8.290 nan 0.000 0.509 362 H N -0.963 117.857 119.070 -0.416 0.000 2.482 362 H HA 0.075 4.633 4.556 0.004 0.000 0.286 362 H C 1.158 176.296 175.328 -0.316 0.000 1.017 362 H CA 1.196 57.095 56.048 -0.247 0.000 1.322 362 H CB -0.487 29.275 29.762 0.001 0.000 1.426 362 H HN 0.597 nan 8.280 nan 0.000 0.546 363 T N -0.892 113.038 114.554 -1.040 0.000 2.918 363 T HA 0.212 4.564 4.350 0.003 0.000 0.283 363 T C -1.665 172.412 174.700 -1.038 0.000 1.001 363 T CA -1.842 59.448 62.100 -1.350 0.000 1.041 363 T CB 2.520 70.465 68.868 -1.539 0.000 1.028 363 T HN -0.089 nan 8.240 nan 0.000 0.511 364 P HA -0.040 nan 4.420 nan 0.000 0.217 364 P C 1.596 178.286 177.300 -1.016 0.000 1.150 364 P CA 1.388 63.819 63.100 -1.115 0.000 0.832 364 P CB -0.358 30.332 31.700 -1.684 0.000 0.787 365 A N 0.446 122.703 122.820 -0.939 0.000 1.877 365 A HA -0.073 4.250 4.320 0.003 0.000 0.216 365 A C 2.618 180.028 177.584 -0.291 0.000 1.186 365 A CA 2.164 53.956 52.037 -0.409 0.000 0.620 365 A CB -1.950 16.931 19.000 -0.199 0.000 0.822 365 A HN 0.282 nan 8.150 nan 0.000 0.443 366 G N 0.487 109.056 108.800 -0.386 0.000 2.418 366 G HA2 -0.257 3.705 3.960 0.003 0.000 0.217 366 G HA3 -0.257 3.705 3.960 0.003 0.000 0.217 366 G C 1.656 176.449 174.900 -0.179 0.000 1.158 366 G CA 1.425 46.368 45.100 -0.261 0.000 0.771 366 G HN 0.734 nan 8.290 nan 0.000 0.545 367 M N -0.635 118.808 119.600 -0.261 0.000 2.562 367 M HA 0.272 4.754 4.480 0.003 0.000 0.257 367 M C 2.167 178.421 176.300 -0.076 0.000 1.099 367 M CA 1.586 56.788 55.300 -0.164 0.000 1.099 367 M CB 0.081 32.561 32.600 -0.200 0.000 1.427 367 M HN 0.191 nan 8.290 nan 0.000 0.489 368 Q N 1.661 121.404 119.800 -0.094 0.000 2.269 368 Q HA 0.109 4.451 4.340 0.003 0.000 0.201 368 Q C -0.138 175.845 176.000 -0.028 0.000 0.946 368 Q CA 0.896 56.698 55.803 -0.002 0.000 0.877 368 Q CB 0.067 28.845 28.738 0.067 0.000 0.963 368 Q HN 0.470 nan 8.270 nan 0.000 0.472 369 T N 2.211 116.713 114.554 -0.087 0.000 2.769 369 T HA 0.225 4.577 4.350 0.003 0.000 0.293 369 T C -0.630 173.996 174.700 -0.123 0.000 0.931 369 T CA 0.093 62.044 62.100 -0.248 0.000 1.139 369 T CB 0.228 68.839 68.868 -0.428 0.000 0.881 369 T HN 0.084 nan 8.240 nan 0.000 0.532 370 K N 3.713 124.000 120.400 -0.189 0.000 2.675 370 K HA 0.230 4.552 4.320 0.003 0.000 0.224 370 K C -1.298 175.296 176.600 -0.011 0.000 1.003 370 K CA -0.675 55.578 56.287 -0.056 0.000 1.034 370 K CB 1.008 33.486 32.500 -0.037 0.000 1.218 370 K HN 0.448 nan 8.250 nan 0.000 0.507 371 Y N 1.775 122.164 120.300 0.150 0.000 2.359 371 Y HA 0.203 4.755 4.550 0.003 0.000 0.334 371 Y C 0.039 176.076 175.900 0.228 0.000 1.058 371 Y CA -0.645 57.565 58.100 0.183 0.000 1.244 371 Y CB 0.612 39.115 38.460 0.072 0.000 1.187 371 Y HN 0.313 nan 8.280 nan 0.000 0.510 372 L N 4.171 125.691 121.223 0.495 0.000 2.318 372 L HA 0.319 4.661 4.340 0.003 0.000 0.277 372 L C 0.600 177.769 176.870 0.499 0.000 1.008 372 L CA -0.205 54.881 54.840 0.411 0.000 0.846 372 L CB 1.291 43.544 42.059 0.323 0.000 1.220 372 L HN 0.554 nan 8.230 nan 0.000 0.423 373 D N 1.368 122.020 120.400 0.419 0.000 2.269 373 D HA -0.081 4.561 4.640 0.003 0.000 0.208 373 D C 2.008 178.537 176.300 0.381 0.000 0.963 373 D CA 0.787 55.042 54.000 0.425 0.000 0.864 373 D CB 0.454 41.449 40.800 0.324 0.000 0.936 373 D HN 0.291 nan 8.370 nan 0.000 0.505 374 V N 0.575 120.639 119.914 0.250 0.000 2.594 374 V HA -0.131 3.991 4.120 0.003 0.000 0.253 374 V C 2.349 178.542 176.094 0.164 0.000 1.069 374 V CA 1.757 64.143 62.300 0.143 0.000 1.082 374 V CB -0.743 31.116 31.823 0.061 0.000 0.680 374 V HN 0.259 nan 8.190 nan 0.000 0.469 375 G N -1.762 107.160 108.800 0.203 0.000 2.708 375 G HA2 -0.189 3.773 3.960 0.003 0.000 0.210 375 G HA3 -0.189 3.773 3.960 0.003 0.000 0.210 375 G C 0.790 175.620 174.900 -0.117 0.000 1.141 375 G CA 0.109 45.224 45.100 0.024 0.000 0.788 375 G HN 0.695 nan 8.290 nan 0.000 0.531 376 W N -0.905 120.496 121.300 0.169 0.000 2.702 376 W HA 0.462 5.124 4.660 0.004 0.000 0.369 376 W C 1.164 177.623 176.519 -0.100 0.000 0.987 376 W CA -0.495 56.952 57.345 0.171 0.000 1.702 376 W CB 0.252 29.783 29.460 0.118 0.000 1.138 376 W HN 0.247 nan 8.180 nan 0.000 0.552 377 G N 2.163 110.917 108.800 -0.077 0.000 2.401 377 G HA2 -0.315 3.647 3.960 0.003 0.000 0.283 377 G HA3 -0.315 3.647 3.960 0.003 0.000 0.283 377 G C 0.604 175.302 174.900 -0.336 0.000 1.117 377 G CA 0.071 44.798 45.100 -0.621 0.000 1.051 377 G HN 0.295 nan 8.290 nan 0.000 0.510 378 L N 0.591 121.750 121.223 -0.107 0.000 2.081 378 L HA 0.116 4.458 4.340 0.003 0.000 0.212 378 L C 2.452 179.233 176.870 -0.148 0.000 1.080 378 L CA 3.406 58.219 54.840 -0.045 0.000 0.754 378 L CB -0.435 41.630 42.059 0.009 0.000 0.893 378 L HN 0.602 nan 8.230 nan 0.000 0.433 379 G N -2.612 106.046 108.800 -0.236 0.000 2.920 379 G HA2 -0.025 3.937 3.960 0.003 0.000 0.208 379 G HA3 -0.025 3.937 3.960 0.003 0.000 0.208 379 G C 1.208 175.774 174.900 -0.557 0.000 1.159 379 G CA 0.591 45.525 45.100 -0.276 0.000 0.784 379 G HN 0.461 nan 8.290 nan 0.000 0.535 380 S N -0.322 114.944 115.700 -0.722 0.000 2.523 380 S HA 0.062 4.534 4.470 0.003 0.000 0.217 380 S C 1.302 175.418 174.600 -0.808 0.000 0.996 380 S CA 0.181 57.675 58.200 -1.176 0.000 0.921 380 S CB 0.892 63.528 63.200 -0.941 0.000 0.829 380 S HN 0.398 nan 8.310 nan 0.000 0.495 381 V N 1.403 121.035 119.914 -0.471 0.000 2.955 381 V HA 0.321 4.443 4.120 0.003 0.000 0.379 381 V C 0.467 176.397 176.094 -0.274 0.000 1.288 381 V CA -0.480 61.628 62.300 -0.320 0.000 1.358 381 V CB -1.025 30.762 31.823 -0.060 0.000 1.406 381 V HN 0.351 nan 8.190 nan 0.000 0.569 382 T N -1.046 113.309 114.554 -0.331 0.000 3.945 382 T HA 0.325 4.677 4.350 0.003 0.000 0.306 382 T C 0.291 174.954 174.700 -0.062 0.000 1.475 382 T CA -0.252 61.786 62.100 -0.105 0.000 1.177 382 T CB -0.670 68.185 68.868 -0.021 0.000 1.272 382 T HN 0.581 nan 8.240 nan 0.000 0.930 383 H N 1.278 120.419 119.070 0.119 0.000 2.597 383 H HA 0.280 4.838 4.556 0.003 0.000 0.370 383 H C 0.490 175.881 175.328 0.105 0.000 1.281 383 H CA -0.583 55.519 56.048 0.089 0.000 1.422 383 H CB 0.739 30.510 29.762 0.016 0.000 1.524 383 H HN 0.657 nan 8.280 nan 0.000 0.607 384 E N 1.374 121.710 120.200 0.226 0.000 2.417 384 E HA 0.052 4.404 4.350 0.003 0.000 0.261 384 E C -0.500 176.238 176.600 0.229 0.000 1.000 384 E CA -0.297 56.152 56.400 0.082 0.000 0.919 384 E CB 0.250 29.794 29.700 -0.261 0.000 0.955 384 E HN 0.275 nan 8.360 nan 0.000 0.455 385 L N 3.765 125.109 121.223 0.201 0.000 2.319 385 L HA 0.268 4.610 4.340 0.003 0.000 0.280 385 L C 0.234 177.251 176.870 0.244 0.000 1.099 385 L CA -0.502 54.503 54.840 0.275 0.000 0.828 385 L CB 1.092 43.373 42.059 0.370 0.000 1.150 385 L HN 0.570 nan 8.230 nan 0.000 0.442 386 A N 6.276 129.285 122.820 0.315 0.000 2.302 386 A HA 0.557 4.879 4.320 0.003 0.000 0.295 386 A C -2.340 175.380 177.584 0.226 0.000 1.235 386 A CA -1.511 50.721 52.037 0.324 0.000 0.876 386 A CB -0.129 19.039 19.000 0.280 0.000 1.133 386 A HN 0.382 nan 8.150 nan 0.000 0.533 387 P HA 0.277 nan 4.420 nan 0.000 0.267 387 P C 1.121 178.572 177.300 0.252 0.000 1.205 387 P CA 1.693 64.842 63.100 0.082 0.000 0.765 387 P CB 0.919 32.486 31.700 -0.222 0.000 0.828 388 G N 2.311 111.226 108.800 0.191 0.000 2.199 388 G HA2 -0.285 3.677 3.960 0.003 0.000 0.254 388 G HA3 -0.285 3.677 3.960 0.003 0.000 0.254 388 G C 0.627 175.548 174.900 0.034 0.000 0.982 388 G CA 0.357 45.514 45.100 0.094 0.000 0.632 388 G HN 0.495 nan 8.290 nan 0.000 0.529 389 I N -0.825 119.781 120.570 0.060 0.000 3.650 389 I HA 0.215 4.387 4.170 0.003 0.000 0.261 389 I C 1.877 177.997 176.117 0.005 0.000 1.154 389 I CA 0.421 61.724 61.300 0.005 0.000 1.418 389 I CB -0.099 37.892 38.000 -0.014 0.000 1.539 389 I HN -0.100 nan 8.210 nan 0.000 0.449 390 D N 0.720 121.158 120.400 0.063 0.000 2.162 390 D HA 0.036 4.678 4.640 0.003 0.000 0.203 390 D C 0.345 176.663 176.300 0.030 0.000 0.967 390 D CA 1.015 55.053 54.000 0.064 0.000 0.840 390 D CB 0.228 41.114 40.800 0.143 0.000 0.972 390 D HN 0.273 nan 8.370 nan 0.000 0.482 391 c N 0.202 118.826 118.600 0.041 0.000 2.971 391 c HA 0.480 5.052 4.570 0.003 0.000 0.310 391 c C -2.397 171.544 174.090 -0.249 0.000 1.285 391 c CA -1.814 54.360 56.329 -0.258 0.000 1.593 391 c CB 1.848 44.184 42.510 -0.289 0.000 2.076 391 c HN 0.041 nan 8.230 nan 0.000 0.472 392 P HA 0.122 nan 4.420 nan 0.000 0.267 392 P C 0.140 177.420 177.300 -0.034 0.000 1.200 392 P CA 0.449 63.381 63.100 -0.279 0.000 0.772 392 P CB 0.471 31.946 31.700 -0.374 0.000 0.855 393 E N 0.143 120.379 120.200 0.060 0.000 2.265 393 E HA -0.150 4.202 4.350 0.003 0.000 0.196 393 E C 1.423 178.121 176.600 0.163 0.000 0.996 393 E CA 1.709 58.202 56.400 0.154 0.000 0.832 393 E CB -0.784 28.980 29.700 0.107 0.000 0.756 393 E HN 0.586 nan 8.360 nan 0.000 0.491 394 T N -1.899 112.706 114.554 0.084 0.000 3.148 394 T HA 0.340 4.692 4.350 0.003 0.000 0.253 394 T C 0.915 175.672 174.700 0.095 0.000 1.134 394 T CA 0.093 62.248 62.100 0.091 0.000 1.051 394 T CB 0.014 68.926 68.868 0.074 0.000 0.959 394 T HN 0.144 nan 8.240 nan 0.000 0.525 395 A N 1.702 124.527 122.820 0.009 0.000 2.406 395 A HA 0.495 4.817 4.320 0.003 0.000 0.243 395 A C 0.539 178.047 177.584 -0.127 0.000 1.082 395 A CA -0.355 51.603 52.037 -0.131 0.000 0.786 395 A CB -0.039 18.601 19.000 -0.600 0.000 1.029 395 A HN 0.369 nan 8.150 nan 0.000 0.495 396 T N 2.152 116.681 114.554 -0.043 0.000 2.743 396 T HA 0.479 4.831 4.350 0.003 0.000 0.293 396 T C -0.691 173.912 174.700 -0.162 0.000 0.945 396 T CA 0.455 62.579 62.100 0.039 0.000 1.030 396 T CB -0.338 68.652 68.868 0.203 0.000 0.912 396 T HN 0.315 nan 8.240 nan 0.000 0.483 397 F N 2.895 122.907 119.950 0.104 0.000 2.421 397 F HA 0.578 5.107 4.527 0.004 0.000 0.337 397 F C 0.198 176.044 175.800 0.077 0.000 1.105 397 F CA -1.076 56.970 58.000 0.077 0.000 1.049 397 F CB 1.017 40.046 39.000 0.048 0.000 1.139 397 F HN 0.217 nan 8.300 nan 0.000 0.479 398 L N 3.106 124.463 121.223 0.223 0.000 2.365 398 L HA 0.477 4.819 4.340 0.003 0.000 0.273 398 L C -0.920 176.030 176.870 0.133 0.000 1.000 398 L CA -1.059 53.885 54.840 0.173 0.000 0.819 398 L CB 1.856 44.011 42.059 0.161 0.000 1.284 398 L HN 0.465 nan 8.230 nan 0.000 0.418 399 D N 0.564 121.030 120.400 0.109 0.000 2.312 399 D HA 0.559 5.201 4.640 0.003 0.000 0.248 399 D C -0.104 176.199 176.300 0.004 0.000 1.086 399 D CA 0.018 54.017 54.000 -0.002 0.000 0.948 399 D CB 2.075 42.910 40.800 0.058 0.000 1.162 399 D HN 0.393 nan 8.370 nan 0.000 0.446 400 T N -0.416 114.052 114.554 -0.143 0.000 2.754 400 T HA 0.617 4.969 4.350 0.003 0.000 0.296 400 T C -1.681 172.866 174.700 -0.255 0.000 1.205 400 T CA -0.551 61.495 62.100 -0.091 0.000 1.009 400 T CB 0.397 69.180 68.868 -0.141 0.000 1.368 400 T HN 0.123 nan 8.240 nan 0.000 0.509 401 F N 1.903 121.752 119.950 -0.168 0.000 2.495 401 F HA 0.591 5.120 4.527 0.003 0.000 0.327 401 F C 0.381 176.007 175.800 -0.289 0.000 1.103 401 F CA -0.713 57.235 58.000 -0.086 0.000 0.949 401 F CB 1.646 40.686 39.000 0.067 0.000 1.142 401 F HN 0.448 nan 8.300 nan 0.000 0.457 402 H N 1.866 121.084 119.070 0.246 0.000 2.572 402 H HA 0.234 4.792 4.556 0.003 0.000 0.359 402 H C -1.604 173.898 175.328 0.290 0.000 1.134 402 H CA -0.795 55.339 56.048 0.144 0.000 1.187 402 H CB 2.192 31.859 29.762 -0.158 0.000 1.597 402 H HN 0.668 nan 8.280 nan 0.000 0.524 403 Y N 3.352 123.817 120.300 0.276 0.000 2.712 403 Y HA 0.261 4.813 4.550 0.003 0.000 0.328 403 Y C -1.632 174.343 175.900 0.125 0.000 0.995 403 Y CA -0.717 57.495 58.100 0.186 0.000 1.283 403 Y CB 0.350 38.894 38.460 0.139 0.000 1.092 403 Y HN 0.552 nan 8.280 nan 0.000 0.519 404 Y N 5.911 126.083 120.300 -0.215 0.000 2.315 404 Y HA 0.298 4.850 4.550 0.004 0.000 0.324 404 Y C -0.270 175.332 175.900 -0.497 0.000 1.062 404 Y CA -1.157 56.719 58.100 -0.373 0.000 1.159 404 Y CB 0.723 39.038 38.460 -0.243 0.000 1.145 404 Y HN 0.666 nan 8.280 nan 0.000 0.442 405 D N 3.753 123.488 120.400 -1.108 0.000 2.737 405 D HA -0.166 4.476 4.640 0.003 0.000 0.238 405 D C -1.394 174.734 176.300 -0.287 0.000 1.157 405 D CA 1.590 55.202 54.000 -0.646 0.000 0.694 405 D CB -0.880 39.714 40.800 -0.344 0.000 1.021 405 D HN 0.828 nan 8.370 nan 0.000 0.420 406 A N 0.574 123.123 122.820 -0.452 0.000 2.539 406 A HA 0.571 4.894 4.320 0.003 0.000 0.296 406 A C 0.616 178.005 177.584 -0.326 0.000 1.073 406 A CA -0.424 51.406 52.037 -0.344 0.000 0.700 406 A CB 1.401 20.175 19.000 -0.377 0.000 1.296 406 A HN -0.000 nan 8.150 nan 0.000 0.405 407 D N 0.391 120.730 120.400 -0.101 0.000 2.234 407 D HA 0.083 4.725 4.640 0.003 0.000 0.205 407 D C -0.175 176.120 176.300 -0.008 0.000 0.962 407 D CA 1.477 55.488 54.000 0.019 0.000 0.855 407 D CB 0.342 41.163 40.800 0.036 0.000 0.951 407 D HN 0.612 nan 8.370 nan 0.000 0.500 408 D N -1.068 119.312 120.400 -0.033 0.000 2.596 408 D HA 0.253 4.895 4.640 0.003 0.000 0.262 408 D C -2.709 173.694 176.300 0.173 0.000 1.210 408 D CA -1.470 52.541 54.000 0.018 0.000 0.873 408 D CB 2.193 42.978 40.800 -0.024 0.000 1.408 408 D HN -0.246 nan 8.370 nan 0.000 0.441 409 P HA 0.061 nan 4.420 nan 0.000 0.265 409 P C -0.537 177.016 177.300 0.421 0.000 1.193 409 P CA -0.083 63.261 63.100 0.407 0.000 0.765 409 P CB 0.589 32.470 31.700 0.303 0.000 0.823 410 V N 3.938 124.123 119.914 0.452 0.000 2.435 410 V HA 0.206 4.328 4.120 0.003 0.000 0.290 410 V C 0.316 176.555 176.094 0.242 0.000 1.030 410 V CA -0.598 61.914 62.300 0.353 0.000 0.881 410 V CB 1.152 33.203 31.823 0.379 0.000 0.983 410 V HN 0.622 nan 8.190 nan 0.000 0.445 411 H N 4.506 123.463 119.070 -0.187 0.000 2.620 411 H HA 0.333 4.891 4.556 0.004 0.000 0.313 411 H C -1.761 173.380 175.328 -0.311 0.000 1.075 411 H CA -0.261 55.380 56.048 -0.677 0.000 1.397 411 H CB 0.759 30.118 29.762 -0.673 0.000 1.446 411 H HN 0.583 nan 8.280 nan 0.000 0.493 412 Y N 6.568 126.377 120.300 -0.817 0.000 2.388 412 Y HA 0.237 4.789 4.550 0.003 0.000 0.328 412 Y C -2.064 173.451 175.900 -0.642 0.000 0.963 412 Y CA -2.693 55.122 58.100 -0.475 0.000 1.240 412 Y CB 1.404 39.687 38.460 -0.294 0.000 1.118 412 Y HN 0.605 nan 8.280 nan 0.000 0.484 413 P HA 0.167 nan 4.420 nan 0.000 0.275 413 P C -0.468 176.768 177.300 -0.108 0.000 1.227 413 P CA -0.322 62.623 63.100 -0.258 0.000 0.781 413 P CB 0.703 32.318 31.700 -0.142 0.000 0.906 414 R N 1.299 121.785 120.500 -0.024 0.000 3.322 414 R HA -0.237 4.105 4.340 0.003 0.000 0.253 414 R C 1.023 177.399 176.300 0.128 0.000 0.987 414 R CA 0.447 56.607 56.100 0.101 0.000 0.666 414 R CB -2.272 28.041 30.300 0.023 0.000 1.072 414 R HN 0.600 nan 8.270 nan 0.000 0.447 415 A N -0.041 122.829 122.820 0.084 0.000 1.969 415 A HA 0.059 4.381 4.320 0.003 0.000 0.218 415 A C 0.777 178.428 177.584 0.113 0.000 1.169 415 A CA 0.950 53.042 52.037 0.091 0.000 0.635 415 A CB 0.245 19.268 19.000 0.040 0.000 0.810 415 A HN 0.229 nan 8.150 nan 0.000 0.445 416 L N -1.977 119.313 121.223 0.111 0.000 2.350 416 L HA 0.592 4.934 4.340 0.003 0.000 0.260 416 L C -0.263 176.638 176.870 0.051 0.000 1.015 416 L CA -0.598 54.282 54.840 0.066 0.000 0.821 416 L CB 2.011 44.069 42.059 -0.002 0.000 1.370 416 L HN 0.402 nan 8.230 nan 0.000 0.416 417 c N 0.595 119.174 118.600 -0.034 0.000 3.090 417 c HA 0.930 5.502 4.570 0.003 0.000 0.305 417 c C -1.220 172.775 174.090 -0.158 0.000 1.292 417 c CA -1.008 55.227 56.329 -0.157 0.000 1.482 417 c CB 1.412 43.721 42.510 -0.336 0.000 1.897 417 c HN 0.793 nan 8.230 nan 0.000 0.469 418 L N 2.927 124.042 121.223 -0.181 0.000 2.436 418 L HA 0.976 5.318 4.340 0.003 0.000 0.268 418 L C -0.890 175.882 176.870 -0.165 0.000 0.974 418 L CA -0.333 54.303 54.840 -0.340 0.000 0.826 418 L CB 1.629 43.403 42.059 -0.474 0.000 1.291 418 L HN 0.990 nan 8.230 nan 0.000 0.406 419 F N 1.310 121.039 119.950 -0.369 0.000 2.678 419 F HA 0.610 5.139 4.527 0.003 0.000 0.308 419 F C -1.014 174.697 175.800 -0.148 0.000 1.118 419 F CA -0.883 57.035 58.000 -0.137 0.000 0.959 419 F CB 1.239 40.172 39.000 -0.111 0.000 1.305 419 F HN 0.555 nan 8.300 nan 0.000 0.443 420 E N 3.838 124.175 120.200 0.228 0.000 2.197 420 E HA 0.619 4.972 4.350 0.003 0.000 0.281 420 E C -1.113 175.633 176.600 0.243 0.000 0.995 420 E CA -0.976 55.492 56.400 0.113 0.000 0.808 420 E CB 1.369 31.184 29.700 0.192 0.000 1.093 420 E HN 0.779 nan 8.360 nan 0.000 0.394 421 M N 2.528 122.230 119.600 0.170 0.000 2.446 421 M HA 0.601 5.083 4.480 0.003 0.000 0.294 421 M C -2.737 173.638 176.300 0.124 0.000 1.158 421 M CA -2.517 52.898 55.300 0.193 0.000 0.899 421 M CB 2.279 35.047 32.600 0.281 0.000 1.687 421 M HN 0.066 nan 8.290 nan 0.000 0.455 422 P HA 0.144 nan 4.420 nan 0.000 0.271 422 P C 0.637 177.990 177.300 0.088 0.000 1.220 422 P CA -0.108 63.054 63.100 0.103 0.000 0.768 422 P CB 0.715 32.470 31.700 0.092 0.000 0.848 423 T N -0.711 113.898 114.554 0.091 0.000 3.055 423 T HA 0.137 4.489 4.350 0.003 0.000 0.265 423 T C 1.481 176.225 174.700 0.074 0.000 1.111 423 T CA 0.793 62.944 62.100 0.085 0.000 1.118 423 T CB -0.958 67.983 68.868 0.122 0.000 0.909 423 T HN 0.624 nan 8.240 nan 0.000 0.501 424 G N 0.241 109.085 108.800 0.072 0.000 2.179 424 G HA2 -0.204 3.758 3.960 0.003 0.000 0.260 424 G HA3 -0.204 3.758 3.960 0.003 0.000 0.260 424 G C 0.107 175.043 174.900 0.059 0.000 0.977 424 G CA 0.137 45.272 45.100 0.057 0.000 0.641 424 G HN 1.078 nan 8.290 nan 0.000 0.533 425 V N 2.215 122.174 119.914 0.075 0.000 2.638 425 V HA 0.746 4.869 4.120 0.003 0.000 0.306 425 V C -2.053 174.097 176.094 0.094 0.000 1.052 425 V CA -1.845 60.500 62.300 0.074 0.000 0.885 425 V CB 2.292 34.154 31.823 0.064 0.000 0.999 425 V HN 0.124 nan 8.190 nan 0.000 0.424 426 P HA 0.083 nan 4.420 nan 0.000 0.269 426 P C 0.805 178.163 177.300 0.097 0.000 1.209 426 P CA 0.034 63.197 63.100 0.106 0.000 0.776 426 P CB 1.171 32.943 31.700 0.119 0.000 0.876 427 L N 1.770 123.055 121.223 0.103 0.000 2.056 427 L HA -0.064 4.278 4.340 0.003 0.000 0.207 427 L C 1.125 178.028 176.870 0.054 0.000 1.078 427 L CA 1.405 56.300 54.840 0.091 0.000 0.749 427 L CB -0.038 42.087 42.059 0.109 0.000 0.901 427 L HN 0.528 nan 8.230 nan 0.000 0.433 428 R N -0.695 119.836 120.500 0.052 0.000 2.643 428 R HA 0.630 4.972 4.340 0.003 0.000 0.269 428 R C -1.366 174.958 176.300 0.040 0.000 1.037 428 R CA -1.022 55.100 56.100 0.036 0.000 0.894 428 R CB 1.330 31.637 30.300 0.013 0.000 1.238 428 R HN 0.057 nan 8.270 nan 0.000 0.459 429 R N 0.241 120.770 120.500 0.048 0.000 2.663 429 R HA 0.559 4.901 4.340 0.003 0.000 0.267 429 R C -1.898 174.454 176.300 0.088 0.000 1.038 429 R CA -1.064 55.047 56.100 0.019 0.000 0.886 429 R CB 1.303 31.671 30.300 0.114 0.000 1.249 429 R HN 0.855 nan 8.270 nan 0.000 0.463 430 H N 1.323 120.311 119.070 -0.137 0.000 3.026 430 H HA 0.463 5.021 4.556 0.003 0.000 0.352 430 H C -2.117 173.179 175.328 -0.053 0.000 1.090 430 H CA -1.069 54.949 56.048 -0.050 0.000 1.268 430 H CB 1.235 30.973 29.762 -0.040 0.000 1.816 430 H HN 0.609 nan 8.280 nan 0.000 0.518 431 F N 5.494 125.050 119.950 -0.658 0.000 2.361 431 F HA 0.330 4.858 4.527 0.002 0.000 0.364 431 F C -0.259 174.942 175.800 -0.999 0.000 1.120 431 F CA -0.460 57.229 58.000 -0.519 0.000 1.102 431 F CB 0.518 39.399 39.000 -0.198 0.000 1.183 431 F HN 0.589 nan 8.300 nan 0.000 0.476 432 N N 5.205 123.141 118.700 -1.273 0.000 2.602 432 N HA 0.011 4.753 4.740 0.003 0.000 0.238 432 N C -0.493 174.508 175.510 -0.848 0.000 1.084 432 N CA -0.019 52.446 53.050 -0.975 0.000 0.952 432 N CB 0.659 38.344 38.487 -1.337 0.000 1.244 432 N HN 0.592 nan 8.380 nan 0.000 0.512 433 S N 1.890 117.186 115.700 -0.675 0.000 2.572 433 S HA -0.004 4.468 4.470 0.003 0.000 0.279 433 S C 1.390 175.539 174.600 -0.751 0.000 1.341 433 S CA -0.493 57.332 58.200 -0.625 0.000 1.043 433 S CB 0.389 63.212 63.200 -0.629 0.000 0.887 433 S HN 0.743 nan 8.310 nan 0.000 0.516 434 N N 3.185 121.632 118.700 -0.422 0.000 2.336 434 N HA 0.027 4.769 4.740 0.003 0.000 0.189 434 N C 0.213 175.680 175.510 -0.071 0.000 1.113 434 N CA 0.098 53.024 53.050 -0.206 0.000 0.858 434 N CB -0.956 37.507 38.487 -0.040 0.000 0.970 434 N HN 0.686 nan 8.380 nan 0.000 0.471 435 F N -1.846 118.146 119.950 0.070 0.000 3.069 435 F HA -0.272 4.256 4.527 0.002 0.000 0.285 435 F C 1.152 176.984 175.800 0.053 0.000 0.827 435 F CA 1.082 59.119 58.000 0.061 0.000 1.108 435 F CB -2.042 36.983 39.000 0.043 0.000 1.252 435 F HN 0.487 nan 8.300 nan 0.000 0.483 436 K N -0.442 120.037 120.400 0.131 0.000 2.860 436 K HA 0.615 4.937 4.320 0.003 0.000 0.204 436 K C 1.025 177.672 176.600 0.079 0.000 1.127 436 K CA 0.486 56.836 56.287 0.105 0.000 1.050 436 K CB 0.357 32.914 32.500 0.095 0.000 0.745 436 K HN 1.311 nan 8.250 nan 0.000 0.459 437 G N -1.251 107.594 108.800 0.075 0.000 2.157 437 G HA2 0.056 4.018 3.960 0.003 0.000 0.248 437 G HA3 0.056 4.018 3.960 0.003 0.000 0.248 437 G C 0.689 175.636 174.900 0.079 0.000 0.979 437 G CA 0.492 45.630 45.100 0.063 0.000 0.650 437 G HN 1.694 nan 8.290 nan 0.000 0.529 438 G N -0.872 107.991 108.800 0.105 0.000 2.871 438 G HA2 0.928 4.890 3.960 0.003 0.000 0.282 438 G HA3 0.928 4.890 3.960 0.003 0.000 0.282 438 G C -0.701 174.320 174.900 0.202 0.000 1.212 438 G CA -0.262 44.944 45.100 0.176 0.000 0.812 438 G HN 1.440 nan 8.290 nan 0.000 0.547 439 F N -1.498 118.360 119.950 -0.155 0.000 2.662 439 F HA 0.617 5.145 4.527 0.002 0.000 0.312 439 F C 0.041 175.693 175.800 -0.247 0.000 1.113 439 F CA -1.328 56.432 58.000 -0.399 0.000 0.951 439 F CB 1.562 40.085 39.000 -0.794 0.000 1.344 439 F HN 0.270 nan 8.300 nan 0.000 0.462 440 N N 0.893 119.301 118.700 -0.487 0.000 2.402 440 N HA 0.180 4.922 4.740 0.003 0.000 0.174 440 N C -0.704 174.547 175.510 -0.431 0.000 1.027 440 N CA 1.080 53.914 53.050 -0.359 0.000 0.891 440 N CB 0.562 38.968 38.487 -0.134 0.000 1.016 440 N HN 0.682 nan 8.380 nan 0.000 0.439 441 F N -2.125 117.370 119.950 -0.758 0.000 2.769 441 F HA 0.387 4.917 4.527 0.005 0.000 0.313 441 F C -1.817 173.798 175.800 -0.307 0.000 1.146 441 F CA -1.693 55.827 58.000 -0.800 0.000 0.934 441 F CB 0.679 39.062 39.000 -1.028 0.000 1.283 441 F HN -0.196 nan 8.300 nan 0.000 0.443 442 Y N 2.173 122.523 120.300 0.084 0.000 2.377 442 Y HA 0.863 5.415 4.550 0.003 0.000 0.339 442 Y C -1.074 174.921 175.900 0.158 0.000 1.011 442 Y CA -0.805 57.356 58.100 0.103 0.000 1.093 442 Y CB 1.622 40.188 38.460 0.177 0.000 1.201 442 Y HN 1.081 nan 8.280 nan 0.000 0.455 443 A N 3.816 126.243 122.820 -0.655 0.000 2.386 443 A HA 0.922 5.244 4.320 0.003 0.000 0.311 443 A C -0.684 176.445 177.584 -0.759 0.000 1.068 443 A CA -0.188 51.553 52.037 -0.493 0.000 0.743 443 A CB 1.258 20.182 19.000 -0.126 0.000 1.258 443 A HN 1.300 nan 8.150 nan 0.000 0.429 444 G N -0.241 108.363 108.800 -0.327 0.000 2.703 444 G HA2 0.604 4.566 3.960 0.003 0.000 0.294 444 G HA3 0.604 4.566 3.960 0.003 0.000 0.294 444 G C -2.194 172.739 174.900 0.056 0.000 1.451 444 G CA -0.479 44.568 45.100 -0.088 0.000 0.869 444 G HN 1.360 nan 8.290 nan 0.000 0.516 445 L N 1.027 122.291 121.223 0.068 0.000 2.343 445 L HA 0.619 4.962 4.340 0.003 0.000 0.278 445 L C 0.379 177.314 176.870 0.108 0.000 0.996 445 L CA -1.086 53.804 54.840 0.083 0.000 0.831 445 L CB 1.448 43.539 42.059 0.053 0.000 1.232 445 L HN 0.594 nan 8.230 nan 0.000 0.413 446 K N 3.491 123.963 120.400 0.120 0.000 2.489 446 K HA 0.329 4.652 4.320 0.003 0.000 0.278 446 K C 0.191 176.868 176.600 0.128 0.000 1.000 446 K CA 0.311 56.672 56.287 0.122 0.000 1.012 446 K CB 0.428 32.998 32.500 0.116 0.000 0.903 446 K HN 0.925 nan 8.250 nan 0.000 0.485 447 G N 3.897 112.775 108.800 0.130 0.000 2.364 447 G HA2 0.147 4.109 3.960 0.003 0.000 0.267 447 G HA3 0.147 4.109 3.960 0.003 0.000 0.267 447 G C -0.796 174.195 174.900 0.152 0.000 1.233 447 G CA -0.392 44.799 45.100 0.151 0.000 0.885 447 G HN 0.569 nan 8.290 nan 0.000 0.490 448 Q N 0.207 120.115 119.800 0.180 0.000 2.456 448 Q HA 0.659 5.001 4.340 0.003 0.000 0.283 448 Q C -1.269 174.827 176.000 0.160 0.000 1.084 448 Q CA -0.837 55.072 55.803 0.176 0.000 0.801 448 Q CB 2.924 31.800 28.738 0.230 0.000 1.434 448 Q HN 0.443 nan 8.270 nan 0.000 0.419 449 V N 1.694 121.637 119.914 0.048 0.000 3.012 449 V HA 0.471 4.594 4.120 0.003 0.000 0.307 449 V C -1.698 174.255 176.094 -0.235 0.000 1.166 449 V CA -0.789 61.429 62.300 -0.137 0.000 0.974 449 V CB 2.497 34.057 31.823 -0.437 0.000 1.040 449 V HN 0.682 nan 8.190 nan 0.000 0.428 450 L N 6.614 127.618 121.223 -0.364 0.000 2.289 450 L HA 0.763 5.105 4.340 0.003 0.000 0.285 450 L C -0.855 175.699 176.870 -0.528 0.000 1.049 450 L CA 0.254 54.726 54.840 -0.613 0.000 0.804 450 L CB 1.588 43.088 42.059 -0.931 0.000 1.195 450 L HN 0.470 nan 8.230 nan 0.000 0.428 451 V N 6.349 125.793 119.914 -0.784 0.000 2.444 451 V HA 0.404 4.526 4.120 0.003 0.000 0.294 451 V C -0.551 175.115 176.094 -0.714 0.000 1.022 451 V CA -0.601 61.208 62.300 -0.819 0.000 0.850 451 V CB 1.519 32.585 31.823 -1.261 0.000 0.992 451 V HN 0.672 nan 8.190 nan 0.000 0.426 452 L N 6.274 127.280 121.223 -0.361 0.000 2.272 452 L HA 0.703 5.045 4.340 0.003 0.000 0.289 452 L C -0.216 176.562 176.870 -0.153 0.000 1.032 452 L CA 0.135 54.825 54.840 -0.250 0.000 0.810 452 L CB 0.921 42.915 42.059 -0.108 0.000 1.205 452 L HN 0.758 nan 8.230 nan 0.000 0.422 453 R N 3.147 123.580 120.500 -0.111 0.000 2.686 453 R HA 0.738 5.080 4.340 0.003 0.000 0.283 453 R C -1.159 175.175 176.300 0.056 0.000 0.978 453 R CA -0.367 55.735 56.100 0.004 0.000 0.897 453 R CB 2.006 32.354 30.300 0.081 0.000 1.192 453 R HN 0.722 nan 8.270 nan 0.000 0.457 454 T N 0.394 115.028 114.554 0.134 0.000 2.716 454 T HA 0.583 4.935 4.350 0.003 0.000 0.286 454 T C -1.127 173.734 174.700 0.268 0.000 1.052 454 T CA -0.297 61.909 62.100 0.176 0.000 1.024 454 T CB 1.607 70.565 68.868 0.149 0.000 1.349 454 T HN 0.776 nan 8.240 nan 0.000 0.525 455 T N -0.744 113.971 114.554 0.269 0.000 2.887 455 T HA 0.785 5.137 4.350 0.003 0.000 0.292 455 T C -0.990 173.911 174.700 0.334 0.000 1.087 455 T CA -0.608 61.664 62.100 0.287 0.000 1.009 455 T CB 1.427 70.397 68.868 0.169 0.000 1.203 455 T HN 0.937 nan 8.240 nan 0.000 0.518 456 S N 0.074 115.976 115.700 0.337 0.000 2.672 456 S HA 0.589 5.061 4.470 0.003 0.000 0.291 456 S C -0.925 173.741 174.600 0.111 0.000 1.145 456 S CA -0.748 57.611 58.200 0.264 0.000 1.013 456 S CB 1.346 64.828 63.200 0.470 0.000 1.017 456 S HN 0.822 nan 8.310 nan 0.000 0.487 457 T N 3.544 118.147 114.554 0.081 0.000 3.155 457 T HA 0.295 4.647 4.350 0.003 0.000 0.384 457 T C 1.070 175.800 174.700 0.050 0.000 1.351 457 T CA -0.490 61.627 62.100 0.029 0.000 1.198 457 T CB 0.921 69.843 68.868 0.089 0.000 1.106 457 T HN 0.499 nan 8.240 nan 0.000 0.564 458 V N 1.736 121.631 119.914 -0.032 0.000 2.379 458 V HA -0.024 4.099 4.120 0.003 0.000 0.245 458 V C 1.144 177.275 176.094 0.062 0.000 1.044 458 V CA 1.571 63.864 62.300 -0.012 0.000 1.036 458 V CB -0.323 31.407 31.823 -0.155 0.000 0.664 458 V HN 0.850 nan 8.190 nan 0.000 0.453 459 Y N -0.127 120.051 120.300 -0.204 0.000 2.975 459 Y HA 0.258 4.810 4.550 0.003 0.000 0.127 459 Y C 0.718 176.479 175.900 -0.233 0.000 0.925 459 Y CA -0.184 57.837 58.100 -0.132 0.000 1.894 459 Y CB -0.052 38.265 38.460 -0.237 0.000 1.270 459 Y HN 0.272 nan 8.280 nan 0.000 0.235 463 Y N 1.207 121.450 120.300 -0.095 0.000 2.320 463 Y HA 0.553 5.105 4.550 0.003 0.000 0.334 463 Y C 0.501 176.155 175.900 -0.410 0.000 1.055 463 Y CA -0.902 57.000 58.100 -0.330 0.000 1.143 463 Y CB 0.891 39.060 38.460 -0.485 0.000 1.193 463 Y HN 0.304 nan 8.280 nan 0.000 0.477 464 I N 3.412 123.839 120.570 -0.238 0.000 2.330 464 I HA 0.219 4.391 4.170 0.003 0.000 0.289 464 I C -1.121 174.837 176.117 -0.264 0.000 1.001 464 I CA -0.558 60.662 61.300 -0.134 0.000 1.193 464 I CB 0.711 38.713 38.000 0.002 0.000 1.345 464 I HN 0.511 nan 8.210 nan 0.000 0.461 465 W N 5.398 126.718 121.300 0.034 0.000 2.329 465 W HA 0.413 5.075 4.660 0.004 0.000 0.312 465 W C -0.568 175.829 176.519 -0.202 0.000 1.054 465 W CA -0.509 56.769 57.345 -0.113 0.000 1.245 465 W CB 1.088 30.473 29.460 -0.124 0.000 1.255 465 W HN 0.306 nan 8.180 nan 0.000 0.436 466 D N 2.564 122.887 120.400 -0.128 0.000 2.362 466 D HA 0.441 5.083 4.640 0.003 0.000 0.247 466 D C -1.075 174.873 176.300 -0.587 0.000 1.050 466 D CA -0.603 53.248 54.000 -0.247 0.000 0.839 466 D CB 1.540 42.252 40.800 -0.147 0.000 1.283 466 D HN 0.051 nan 8.370 nan 0.000 0.477 467 F N 1.198 121.002 119.950 -0.243 0.000 2.482 467 F HA 0.547 5.076 4.527 0.003 0.000 0.331 467 F C 0.192 175.619 175.800 -0.622 0.000 1.115 467 F CA -0.878 56.837 58.000 -0.476 0.000 0.955 467 F CB 1.453 40.184 39.000 -0.447 0.000 1.136 467 F HN 0.016 nan 8.300 nan 0.000 0.452 468 I N 3.284 123.442 120.570 -0.686 0.000 2.545 468 I HA 0.423 4.595 4.170 0.003 0.000 0.292 468 I C -1.281 174.236 176.117 -0.999 0.000 1.040 468 I CA -0.572 60.322 61.300 -0.678 0.000 1.068 468 I CB 1.908 39.604 38.000 -0.506 0.000 1.251 468 I HN 0.357 nan 8.210 nan 0.000 0.424 469 F N 5.092 124.723 119.950 -0.532 0.000 2.499 469 F HA 0.486 5.015 4.527 0.003 0.000 0.333 469 F C -0.577 175.179 175.800 -0.073 0.000 1.138 469 F CA -0.628 57.050 58.000 -0.537 0.000 0.945 469 F CB 1.014 39.380 39.000 -1.057 0.000 1.181 469 F HN 0.212 nan 8.300 nan 0.000 0.435 470 Y N 3.361 123.901 120.300 0.399 0.000 2.335 470 Y HA 0.322 4.874 4.550 0.004 0.000 0.323 470 Y C -1.539 174.763 175.900 0.670 0.000 1.224 470 Y CA -2.049 56.311 58.100 0.432 0.000 1.241 470 Y CB 0.806 39.416 38.460 0.250 0.000 1.235 470 Y HN 0.372 nan 8.280 nan 0.000 0.492 471 P HA -0.127 nan 4.420 nan 0.000 0.225 471 P C 0.304 177.796 177.300 0.321 0.000 1.148 471 P CA 1.289 64.649 63.100 0.433 0.000 0.779 471 P CB 0.162 31.997 31.700 0.225 0.000 0.780 472 N N -0.932 117.892 118.700 0.207 0.000 2.295 472 N HA 0.113 4.855 4.740 0.003 0.000 0.221 472 N C 1.071 176.341 175.510 -0.399 0.000 1.129 472 N CA 0.338 53.334 53.050 -0.089 0.000 0.836 472 N CB -0.871 37.590 38.487 -0.045 0.000 1.040 472 N HN 0.112 nan 8.380 nan 0.000 0.494 473 G N -0.908 107.566 108.800 -0.544 0.000 2.176 473 G HA2 -0.252 3.710 3.960 0.003 0.000 0.253 473 G HA3 -0.252 3.710 3.960 0.003 0.000 0.253 473 G C -0.402 174.583 174.900 0.141 0.000 0.979 473 G CA 0.214 44.779 45.100 -0.892 0.000 0.641 473 G HN 0.302 nan 8.290 nan 0.000 0.530 474 V N 2.048 122.177 119.914 0.357 0.000 2.432 474 V HA 0.645 4.767 4.120 0.003 0.000 0.271 474 V C 0.685 177.109 176.094 0.551 0.000 1.046 474 V CA -0.002 62.517 62.300 0.365 0.000 0.945 474 V CB 1.604 33.452 31.823 0.040 0.000 0.992 474 V HN 0.467 nan 8.190 nan 0.000 0.471 475 M N 4.492 124.296 119.600 0.339 0.000 2.472 475 M HA 0.600 5.082 4.480 0.003 0.000 0.331 475 M C -0.574 175.642 176.300 -0.141 0.000 1.170 475 M CA -0.391 54.853 55.300 -0.094 0.000 1.009 475 M CB 1.871 34.317 32.600 -0.257 0.000 1.672 475 M HN 0.814 nan 8.290 nan 0.000 0.453 476 E N 2.351 122.351 120.200 -0.333 0.000 2.314 476 E HA 0.703 5.055 4.350 0.003 0.000 0.272 476 E C -2.062 174.223 176.600 -0.525 0.000 0.884 476 E CA -0.743 55.445 56.400 -0.353 0.000 0.753 476 E CB 2.228 31.840 29.700 -0.147 0.000 1.213 476 E HN 0.795 nan 8.360 nan 0.000 0.432 477 A N 4.091 126.428 122.820 -0.804 0.000 2.330 477 A HA 0.679 5.001 4.320 0.003 0.000 0.327 477 A C -0.938 176.240 177.584 -0.677 0.000 1.155 477 A CA -0.591 50.937 52.037 -0.848 0.000 0.803 477 A CB 1.249 19.449 19.000 -1.334 0.000 1.208 477 A HN 0.526 nan 8.150 nan 0.000 0.477 478 K N 1.753 121.861 120.400 -0.488 0.000 2.523 478 K HA 0.533 4.855 4.320 0.003 0.000 0.257 478 K C -1.667 174.735 176.600 -0.330 0.000 0.932 478 K CA -0.609 55.444 56.287 -0.390 0.000 0.812 478 K CB 1.816 34.062 32.500 -0.425 0.000 1.326 478 K HN 0.733 nan 8.250 nan 0.000 0.433 479 M N 4.377 123.759 119.600 -0.364 0.000 2.321 479 M HA 0.350 4.832 4.480 0.003 0.000 0.315 479 M C -1.670 174.295 176.300 -0.559 0.000 1.052 479 M CA -0.376 54.615 55.300 -0.516 0.000 0.936 479 M CB 1.298 33.534 32.600 -0.608 0.000 1.639 479 M HN 0.749 nan 8.290 nan 0.000 0.433 480 H N 2.905 121.791 119.070 -0.307 0.000 2.466 480 H HA 0.639 5.197 4.556 0.003 0.000 0.338 480 H C -0.684 174.558 175.328 -0.143 0.000 1.091 480 H CA -0.740 55.189 56.048 -0.197 0.000 1.207 480 H CB 1.573 31.246 29.762 -0.149 0.000 1.466 480 H HN 0.780 nan 8.280 nan 0.000 0.493 481 A N 2.841 125.693 122.820 0.053 0.000 2.274 481 A HA 0.509 4.831 4.320 0.003 0.000 0.309 481 A C 0.368 178.001 177.584 0.081 0.000 1.226 481 A CA -0.330 51.800 52.037 0.155 0.000 0.853 481 A CB 1.188 20.287 19.000 0.165 0.000 1.146 481 A HN 0.711 nan 8.150 nan 0.000 0.518 482 T N 0.840 115.427 114.554 0.055 0.000 2.618 482 T HA 0.779 5.131 4.350 0.003 0.000 0.286 482 T C 0.410 175.082 174.700 -0.046 0.000 1.027 482 T CA 1.091 63.189 62.100 -0.003 0.000 1.063 482 T CB 0.756 69.608 68.868 -0.027 0.000 1.440 482 T HN 2.666 nan 8.240 nan 0.000 0.505 483 G N 0.068 108.811 108.800 -0.095 0.000 2.568 483 G HA2 -0.117 3.845 3.960 0.003 0.000 0.222 483 G HA3 -0.117 3.845 3.960 0.003 0.000 0.222 483 G C -1.377 173.384 174.900 -0.232 0.000 1.321 483 G CA -0.086 44.919 45.100 -0.159 0.000 0.893 483 G HN 0.832 nan 8.290 nan 0.000 0.569 484 Y N -0.022 120.140 120.300 -0.230 0.000 2.334 484 Y HA 0.491 5.043 4.550 0.004 0.000 0.328 484 Y C 1.300 177.107 175.900 -0.156 0.000 1.130 484 Y CA -0.033 57.932 58.100 -0.224 0.000 1.163 484 Y CB 1.655 39.837 38.460 -0.463 0.000 1.207 484 Y HN 0.817 nan 8.280 nan 0.000 0.471 485 V N -0.004 119.993 119.914 0.138 0.000 3.051 485 V HA 0.149 4.271 4.120 0.003 0.000 0.306 485 V C -0.180 175.997 176.094 0.137 0.000 1.083 485 V CA -0.727 61.666 62.300 0.154 0.000 1.104 485 V CB 0.642 32.560 31.823 0.159 0.000 1.027 485 V HN 0.824 nan 8.190 nan 0.000 0.483 486 H N 2.834 121.909 119.070 0.009 0.000 2.878 486 H HA 0.673 5.232 4.556 0.003 0.000 0.290 486 H C 0.087 175.399 175.328 -0.026 0.000 1.065 486 H CA 0.779 56.793 56.048 -0.058 0.000 1.477 486 H CB 0.244 29.824 29.762 -0.303 0.000 1.484 486 H HN 1.241 nan 8.280 nan 0.000 0.504 487 A N 4.089 126.786 122.820 -0.204 0.000 2.454 487 A HA 0.689 5.011 4.320 0.003 0.000 0.302 487 A C -0.411 177.101 177.584 -0.120 0.000 1.079 487 A CA -0.212 51.773 52.037 -0.087 0.000 0.731 487 A CB 1.230 20.263 19.000 0.055 0.000 1.299 487 A HN 0.792 nan 8.150 nan 0.000 0.413 488 T N -1.864 112.686 114.554 -0.008 0.000 2.887 488 T HA 0.645 4.997 4.350 0.003 0.000 0.292 488 T C -0.435 174.405 174.700 0.233 0.000 1.087 488 T CA -0.562 61.565 62.100 0.046 0.000 1.009 488 T CB 0.827 69.642 68.868 -0.087 0.000 1.203 488 T HN 0.775 nan 8.240 nan 0.000 0.518 489 F N 2.344 122.377 119.950 0.137 0.000 2.578 489 F HA 0.306 4.836 4.527 0.004 0.000 0.376 489 F C 0.213 176.224 175.800 0.352 0.000 1.085 489 F CA -1.155 56.989 58.000 0.239 0.000 1.260 489 F CB 0.077 39.218 39.000 0.236 0.000 1.095 489 F HN 0.682 nan 8.300 nan 0.000 0.573 490 Y N 6.444 126.520 120.300 -0.373 0.000 2.544 490 Y HA 0.323 4.875 4.550 0.004 0.000 0.330 490 Y C 0.224 175.983 175.900 -0.235 0.000 1.136 490 Y CA 0.346 58.284 58.100 -0.270 0.000 1.417 490 Y CB 0.191 38.472 38.460 -0.298 0.000 1.229 490 Y HN 0.730 nan 8.280 nan 0.000 0.532 491 T N 3.431 117.475 114.554 -0.851 0.000 2.901 491 T HA 0.409 4.762 4.350 0.003 0.000 0.293 491 T C -2.313 171.714 174.700 -1.122 0.000 1.084 491 T CA -2.227 59.352 62.100 -0.869 0.000 1.008 491 T CB 2.032 70.817 68.868 -0.139 0.000 1.170 491 T HN 0.298 nan 8.240 nan 0.000 0.509 492 P HA -0.081 nan 4.420 nan 0.000 0.216 492 P C 1.063 178.248 177.300 -0.192 0.000 1.150 492 P CA 1.172 64.102 63.100 -0.283 0.000 0.843 492 P CB 0.041 31.681 31.700 -0.099 0.000 0.787 493 E N -0.980 119.128 120.200 -0.153 0.000 2.265 493 E HA -0.092 4.260 4.350 0.003 0.000 0.196 493 E C 2.177 178.714 176.600 -0.105 0.000 0.996 493 E CA 1.307 57.681 56.400 -0.044 0.000 0.832 493 E CB -1.298 28.453 29.700 0.084 0.000 0.756 493 E HN 0.250 nan 8.360 nan 0.000 0.491 494 G N 0.394 108.887 108.800 -0.513 0.000 2.448 494 G HA2 -0.212 3.750 3.960 0.003 0.000 0.219 494 G HA3 -0.212 3.750 3.960 0.003 0.000 0.219 494 G C 1.337 176.115 174.900 -0.204 0.000 1.127 494 G CA 0.335 44.926 45.100 -0.848 0.000 0.766 494 G HN 0.222 nan 8.290 nan 0.000 0.552 495 L N -0.373 120.781 121.223 -0.115 0.000 2.362 495 L HA 0.044 4.386 4.340 0.003 0.000 0.219 495 L C 2.816 179.658 176.870 -0.046 0.000 1.134 495 L CA 0.412 55.239 54.840 -0.023 0.000 0.807 495 L CB -0.195 41.872 42.059 0.014 0.000 0.927 495 L HN 0.174 nan 8.230 nan 0.000 0.447 496 R N -1.008 119.436 120.500 -0.092 0.000 2.307 496 R HA -0.001 4.341 4.340 0.003 0.000 0.199 496 R C 0.707 176.750 176.300 -0.428 0.000 1.000 496 R CA 0.546 56.497 56.100 -0.249 0.000 1.023 496 R CB 0.072 30.173 30.300 -0.332 0.000 0.908 496 R HN 0.490 nan 8.270 nan 0.000 0.473 497 H N -1.311 117.776 119.070 0.028 0.000 2.885 497 H HA 0.349 4.907 4.556 0.004 0.000 0.254 497 H C 0.548 175.928 175.328 0.086 0.000 1.185 497 H CA 0.375 56.463 56.048 0.067 0.000 1.029 497 H CB 1.510 31.338 29.762 0.111 0.000 1.743 497 H HN 0.287 nan 8.280 nan 0.000 0.632 498 G N 0.094 108.973 108.800 0.132 0.000 2.323 498 G HA2 0.203 4.166 3.960 0.003 0.000 0.291 498 G HA3 0.203 4.166 3.960 0.003 0.000 0.291 498 G C -1.450 173.499 174.900 0.083 0.000 1.278 498 G CA -0.609 44.566 45.100 0.126 0.000 0.860 498 G HN 0.008 nan 8.290 nan 0.000 0.504 499 T N 0.295 114.903 114.554 0.089 0.000 2.881 499 T HA 0.545 4.897 4.350 0.003 0.000 0.290 499 T C -0.067 174.665 174.700 0.052 0.000 1.000 499 T CA -0.631 61.509 62.100 0.067 0.000 0.978 499 T CB 1.978 70.896 68.868 0.084 0.000 0.997 499 T HN 0.666 nan 8.240 nan 0.000 0.443 500 R N 3.118 123.623 120.500 0.009 0.000 2.370 500 R HA 0.275 4.617 4.340 0.003 0.000 0.309 500 R C 0.329 176.573 176.300 -0.093 0.000 1.059 500 R CA -0.023 56.029 56.100 -0.079 0.000 0.981 500 R CB 0.040 30.183 30.300 -0.263 0.000 0.972 500 R HN 0.658 nan 8.270 nan 0.000 0.437 501 L N 2.973 124.154 121.223 -0.071 0.000 2.672 501 L HA 0.280 4.622 4.340 0.003 0.000 0.236 501 L C 0.956 177.779 176.870 -0.079 0.000 1.092 501 L CA -0.124 54.689 54.840 -0.044 0.000 0.887 501 L CB 0.093 42.164 42.059 0.021 0.000 1.168 501 L HN 0.666 nan 8.230 nan 0.000 0.502 502 H N -1.554 117.339 119.070 -0.294 0.000 2.905 502 H HA 0.139 4.697 4.556 0.003 0.000 0.280 502 H C 0.244 175.295 175.328 -0.462 0.000 1.445 502 H CA -0.029 55.749 56.048 -0.450 0.000 1.165 502 H CB 1.698 31.011 29.762 -0.747 0.000 1.857 502 H HN -0.276 nan 8.280 nan 0.000 0.567 503 T N 0.029 114.202 114.554 -0.634 0.000 2.635 503 T HA -0.156 4.196 4.350 0.003 0.000 0.267 503 T C 0.879 175.194 174.700 -0.642 0.000 1.040 503 T CA 1.502 63.207 62.100 -0.658 0.000 1.156 503 T CB -0.277 68.167 68.868 -0.706 0.000 0.863 503 T HN 0.445 nan 8.240 nan 0.000 0.430 504 H N -0.451 118.542 119.070 -0.128 0.000 2.486 504 H HA 0.502 5.060 4.556 0.004 0.000 0.284 504 H C -0.628 174.621 175.328 -0.133 0.000 1.103 504 H CA -0.483 55.457 56.048 -0.181 0.000 1.089 504 H CB 0.052 29.790 29.762 -0.040 0.000 1.603 504 H HN 0.159 nan 8.280 nan 0.000 0.557 505 L N 1.732 122.953 121.223 -0.003 0.000 2.381 505 L HA 0.412 4.754 4.340 0.003 0.000 0.274 505 L C -1.012 175.904 176.870 0.076 0.000 0.988 505 L CA -0.571 54.307 54.840 0.063 0.000 0.824 505 L CB 1.640 43.726 42.059 0.045 0.000 1.263 505 L HN -0.035 nan 8.230 nan 0.000 0.410 506 I N 3.885 124.540 120.570 0.142 0.000 2.404 506 I HA 0.405 4.577 4.170 0.003 0.000 0.293 506 I C 0.592 176.784 176.117 0.125 0.000 0.992 506 I CA -0.396 60.992 61.300 0.148 0.000 1.149 506 I CB 1.690 39.809 38.000 0.197 0.000 1.315 506 I HN 0.745 nan 8.210 nan 0.000 0.446 507 G N 5.612 114.478 108.800 0.110 0.000 2.391 507 G HA2 0.234 4.196 3.960 0.003 0.000 0.305 507 G HA3 0.234 4.196 3.960 0.003 0.000 0.305 507 G C -0.024 174.972 174.900 0.160 0.000 1.072 507 G CA -0.444 44.726 45.100 0.116 0.000 1.016 507 G HN 0.628 nan 8.290 nan 0.000 0.418 508 N N 1.231 120.052 118.700 0.203 0.000 2.458 508 N HA 0.046 4.788 4.740 0.003 0.000 0.258 508 N C 0.588 176.322 175.510 0.372 0.000 1.219 508 N CA -0.236 52.990 53.050 0.292 0.000 0.902 508 N CB 1.476 40.165 38.487 0.337 0.000 1.076 508 N HN 0.576 nan 8.380 nan 0.000 0.455 509 I N 3.322 124.054 120.570 0.270 0.000 2.815 509 I HA -0.036 4.136 4.170 0.003 0.000 0.291 509 I C 0.121 176.331 176.117 0.156 0.000 1.209 509 I CA 0.434 61.836 61.300 0.170 0.000 1.431 509 I CB 0.074 38.136 38.000 0.104 0.000 1.351 509 I HN 0.718 nan 8.210 nan 0.000 0.585 510 H N 2.883 121.831 119.070 -0.203 0.000 2.967 510 H HA 0.409 4.967 4.556 0.004 0.000 0.318 510 H C -1.684 173.441 175.328 -0.338 0.000 1.375 510 H CA -1.024 54.746 56.048 -0.463 0.000 1.132 510 H CB 0.991 30.009 29.762 -1.240 0.000 1.848 510 H HN 0.393 nan 8.280 nan 0.000 0.524 511 T N 1.784 116.115 114.554 -0.371 0.000 2.824 511 T HA 0.276 4.629 4.350 0.003 0.000 0.282 511 T C -0.504 173.991 174.700 -0.341 0.000 0.993 511 T CA -0.682 61.218 62.100 -0.332 0.000 0.967 511 T CB 0.902 69.644 68.868 -0.210 0.000 0.960 511 T HN 0.433 nan 8.240 nan 0.000 0.441 512 H N 3.068 121.901 119.070 -0.396 0.000 2.562 512 H HA 0.465 5.023 4.556 0.004 0.000 0.314 512 H C -0.524 174.689 175.328 -0.193 0.000 1.079 512 H CA -0.223 55.629 56.048 -0.327 0.000 1.349 512 H CB 1.076 30.419 29.762 -0.697 0.000 1.432 512 H HN 0.322 nan 8.280 nan 0.000 0.479 513 L N 3.560 124.849 121.223 0.110 0.000 2.410 513 L HA 0.412 4.754 4.340 0.003 0.000 0.270 513 L C -0.524 176.554 176.870 0.347 0.000 0.983 513 L CA -0.870 54.114 54.840 0.240 0.000 0.822 513 L CB 2.350 44.558 42.059 0.249 0.000 1.285 513 L HN 0.245 nan 8.230 nan 0.000 0.409 514 V N 1.436 121.541 119.914 0.319 0.000 2.604 514 V HA 0.409 4.531 4.120 0.003 0.000 0.305 514 V C -0.728 175.443 176.094 0.128 0.000 1.043 514 V CA -0.572 61.837 62.300 0.181 0.000 0.888 514 V CB 2.116 34.036 31.823 0.162 0.000 0.995 514 V HN 0.667 nan 8.190 nan 0.000 0.429 515 H N 3.295 122.101 119.070 -0.440 0.000 2.466 515 H HA 0.534 5.092 4.556 0.003 0.000 0.338 515 H C -1.710 173.401 175.328 -0.362 0.000 1.091 515 H CA -0.433 55.303 56.048 -0.520 0.000 1.207 515 H CB 1.426 30.364 29.762 -1.374 0.000 1.466 515 H HN 0.610 nan 8.280 nan 0.000 0.493 516 Y N 2.666 122.766 120.300 -0.334 0.000 2.409 516 Y HA 0.265 4.818 4.550 0.004 0.000 0.339 516 Y C 0.305 175.969 175.900 -0.393 0.000 1.033 516 Y CA -0.796 57.178 58.100 -0.211 0.000 1.094 516 Y CB 1.479 39.986 38.460 0.079 0.000 1.210 516 Y HN 0.467 nan 8.280 nan 0.000 0.456 517 R N 2.091 122.498 120.500 -0.155 0.000 2.346 517 R HA 0.685 5.027 4.340 0.003 0.000 0.311 517 R C -1.911 174.183 176.300 -0.344 0.000 0.983 517 R CA -0.475 55.344 56.100 -0.469 0.000 0.880 517 R CB 0.779 30.758 30.300 -0.536 0.000 1.100 517 R HN 0.573 nan 8.270 nan 0.000 0.453 518 V N 4.491 124.114 119.914 -0.485 0.000 2.380 518 V HA 0.099 4.221 4.120 0.003 0.000 0.268 518 V C -0.670 175.188 176.094 -0.393 0.000 1.008 518 V CA -0.790 61.293 62.300 -0.362 0.000 0.823 518 V CB 0.977 32.559 31.823 -0.402 0.000 1.053 518 V HN 0.733 nan 8.190 nan 0.000 0.446 519 D N 4.449 124.684 120.400 -0.276 0.000 2.517 519 D HA 0.274 4.916 4.640 0.003 0.000 0.220 519 D C 0.093 176.307 176.300 -0.145 0.000 1.158 519 D CA -0.027 53.867 54.000 -0.177 0.000 0.992 519 D CB 0.296 41.087 40.800 -0.014 0.000 1.058 519 D HN 0.430 nan 8.370 nan 0.000 0.516 520 L N 2.358 123.442 121.223 -0.232 0.000 2.416 520 L HA 0.228 4.570 4.340 0.003 0.000 0.272 520 L C 0.255 177.067 176.870 -0.096 0.000 1.161 520 L CA 0.016 54.737 54.840 -0.198 0.000 0.845 520 L CB 0.695 42.578 42.059 -0.292 0.000 1.119 520 L HN 0.137 nan 8.230 nan 0.000 0.464 521 D N 2.368 122.728 120.400 -0.066 0.000 2.441 521 D HA 0.198 4.840 4.640 0.003 0.000 0.287 521 D C -0.557 175.741 176.300 -0.003 0.000 1.198 521 D CA -0.190 53.794 54.000 -0.027 0.000 0.894 521 D CB 1.312 42.095 40.800 -0.027 0.000 1.070 521 D HN 0.020 nan 8.370 nan 0.000 0.499 522 V N 1.484 121.433 119.914 0.059 0.000 2.421 522 V HA 0.268 4.390 4.120 0.003 0.000 0.271 522 V C 1.331 177.556 176.094 0.218 0.000 1.031 522 V CA 0.020 62.414 62.300 0.156 0.000 1.032 522 V CB 0.310 32.294 31.823 0.269 0.000 1.009 522 V HN 0.727 nan 8.190 nan 0.000 0.477 523 A N 3.741 126.735 122.820 0.290 0.000 2.798 523 A HA 0.070 4.392 4.320 0.003 0.000 0.282 523 A C 1.127 178.749 177.584 0.064 0.000 1.464 523 A CA 1.331 53.474 52.037 0.176 0.000 0.844 523 A CB -1.515 17.511 19.000 0.044 0.000 1.006 523 A HN 2.683 nan 8.150 nan 0.000 0.577 524 G N -4.127 104.696 108.800 0.039 0.000 2.357 524 G HA2 0.419 4.381 3.960 0.003 0.000 0.643 524 G HA3 0.419 4.381 3.960 0.003 0.000 0.643 524 G C 0.611 175.513 174.900 0.003 0.000 1.358 524 G CA 0.637 45.744 45.100 0.012 0.000 0.986 524 G HN 1.842 nan 8.290 nan 0.000 0.620 525 T N -1.773 112.768 114.554 -0.023 0.000 2.857 525 T HA 0.101 4.453 4.350 0.003 0.000 0.266 525 T C 0.890 175.583 174.700 -0.011 0.000 1.048 525 T CA 1.301 63.372 62.100 -0.048 0.000 1.139 525 T CB -0.025 68.787 68.868 -0.094 0.000 0.874 525 T HN 0.410 nan 8.240 nan 0.000 0.455 526 K N 3.104 123.509 120.400 0.008 0.000 2.284 526 K HA 0.466 4.788 4.320 0.003 0.000 0.287 526 K C -0.728 175.906 176.600 0.056 0.000 1.081 526 K CA -0.027 56.276 56.287 0.027 0.000 0.910 526 K CB 0.630 33.140 32.500 0.017 0.000 1.088 526 K HN 0.566 nan 8.250 nan 0.000 0.478 527 N N -0.101 118.649 118.700 0.085 0.000 2.469 527 N HA 0.402 5.144 4.740 0.003 0.000 0.286 527 N C -0.903 174.687 175.510 0.133 0.000 1.275 527 N CA -0.756 52.373 53.050 0.131 0.000 0.790 527 N CB 1.686 40.293 38.487 0.200 0.000 1.446 527 N HN 0.473 nan 8.380 nan 0.000 0.501 528 S N -0.498 115.291 115.700 0.148 0.000 2.671 528 S HA 0.658 5.131 4.470 0.003 0.000 0.299 528 S C -1.380 173.321 174.600 0.168 0.000 1.116 528 S CA -0.768 57.514 58.200 0.137 0.000 0.912 528 S CB 1.502 64.749 63.200 0.078 0.000 1.130 528 S HN 0.474 nan 8.310 nan 0.000 0.501 529 F N 1.730 121.648 119.950 -0.054 0.000 2.507 529 F HA 0.653 5.182 4.527 0.004 0.000 0.325 529 F C -0.587 175.150 175.800 -0.105 0.000 1.116 529 F CA -0.415 57.426 58.000 -0.265 0.000 0.930 529 F CB 1.765 40.548 39.000 -0.361 0.000 1.146 529 F HN 0.950 nan 8.300 nan 0.000 0.447 530 Q N 2.844 122.091 119.800 -0.921 0.000 2.501 530 Q HA 0.750 5.092 4.340 0.003 0.000 0.288 530 Q C -1.777 173.773 176.000 -0.751 0.000 1.051 530 Q CA -1.072 54.410 55.803 -0.535 0.000 0.788 530 Q CB 2.424 31.054 28.738 -0.179 0.000 1.469 530 Q HN 0.668 nan 8.270 nan 0.000 0.416 531 T N -0.667 113.732 114.554 -0.258 0.000 2.907 531 T HA 0.745 5.097 4.350 0.003 0.000 0.292 531 T C -0.553 174.109 174.700 -0.062 0.000 1.043 531 T CA -0.851 61.138 62.100 -0.185 0.000 1.003 531 T CB 1.032 69.893 68.868 -0.012 0.000 1.084 531 T HN 0.543 nan 8.240 nan 0.000 0.483 532 L N 1.165 122.354 121.223 -0.058 0.000 2.346 532 L HA 0.849 5.191 4.340 0.003 0.000 0.274 532 L C 0.272 177.143 176.870 0.001 0.000 1.007 532 L CA -0.907 53.894 54.840 -0.064 0.000 0.818 532 L CB 1.547 43.482 42.059 -0.207 0.000 1.284 532 L HN 1.039 nan 8.230 nan 0.000 0.424 533 Q N 2.920 122.720 119.800 -0.000 0.000 2.456 533 Q HA 0.667 5.009 4.340 0.003 0.000 0.283 533 Q C -1.093 174.912 176.000 0.009 0.000 1.084 533 Q CA -0.793 55.029 55.803 0.031 0.000 0.801 533 Q CB 2.853 31.620 28.738 0.050 0.000 1.434 533 Q HN 0.634 nan 8.270 nan 0.000 0.419 534 M N 1.961 121.576 119.600 0.025 0.000 2.188 534 M HA 0.529 5.011 4.480 0.003 0.000 0.357 534 M C -1.031 175.283 176.300 0.023 0.000 1.204 534 M CA -0.062 55.248 55.300 0.018 0.000 1.095 534 M CB 0.564 33.180 32.600 0.027 0.000 1.604 534 M HN 0.839 nan 8.290 nan 0.000 0.464 535 K N 5.237 125.647 120.400 0.018 0.000 2.427 535 K HA 0.549 4.871 4.320 0.003 0.000 0.252 535 K C -1.542 175.068 176.600 0.017 0.000 0.931 535 K CA -0.670 55.629 56.287 0.020 0.000 0.793 535 K CB 1.903 34.414 32.500 0.018 0.000 1.211 535 K HN 0.776 nan 8.250 nan 0.000 0.426 536 L N 3.595 124.828 121.223 0.018 0.000 2.417 536 L HA 0.267 4.609 4.340 0.003 0.000 0.268 536 L C 0.350 177.229 176.870 0.014 0.000 1.158 536 L CA -0.076 54.774 54.840 0.016 0.000 0.819 536 L CB 0.860 42.929 42.059 0.017 0.000 1.112 536 L HN 0.743 nan 8.230 nan 0.000 0.458 537 E N 1.530 121.738 120.200 0.013 0.000 2.299 537 E HA 0.390 4.742 4.350 0.003 0.000 0.265 537 E C -1.159 175.446 176.600 0.009 0.000 0.911 537 E CA -1.006 55.400 56.400 0.011 0.000 0.789 537 E CB 2.067 31.774 29.700 0.011 0.000 1.246 537 E HN 0.373 nan 8.360 nan 0.000 0.427 538 N N 2.513 121.216 118.700 0.005 0.000 2.531 538 N HA 0.327 5.069 4.740 0.003 0.000 0.268 538 N C -1.177 174.331 175.510 -0.003 0.000 1.023 538 N CA -0.669 52.382 53.050 0.001 0.000 0.896 538 N CB 0.869 39.356 38.487 0.000 0.000 1.233 538 N HN 0.725 nan 8.380 nan 0.000 0.512 539 I N -1.049 119.517 120.570 -0.006 0.000 3.002 539 I HA 0.611 4.783 4.170 0.003 0.000 0.310 539 I C -0.074 176.028 176.117 -0.025 0.000 1.087 539 I CA -0.811 60.483 61.300 -0.010 0.000 1.017 539 I CB 1.802 39.800 38.000 -0.003 0.000 1.226 539 I HN 0.082 nan 8.210 nan 0.000 0.443 540 T N 2.791 117.326 114.554 -0.030 0.000 2.928 540 T HA 0.007 4.359 4.350 0.003 0.000 0.305 540 T C 0.333 174.991 174.700 -0.071 0.000 1.035 540 T CA 0.060 62.130 62.100 -0.050 0.000 1.145 540 T CB -0.264 68.577 68.868 -0.044 0.000 0.963 540 T HN 0.602 nan 8.240 nan 0.000 0.545 541 N N 4.167 122.793 118.700 -0.124 0.000 2.438 541 N HA 0.048 4.791 4.740 0.003 0.000 0.267 541 N C -1.764 173.607 175.510 -0.233 0.000 1.222 541 N CA -1.993 50.910 53.050 -0.244 0.000 0.930 541 N CB 1.243 39.476 38.487 -0.424 0.000 1.083 541 N HN 0.212 nan 8.380 nan 0.000 0.476 542 P HA -0.032 nan 4.420 nan 0.000 0.223 542 P C 0.816 178.161 177.300 0.074 0.000 1.151 542 P CA 1.081 64.189 63.100 0.012 0.000 0.787 542 P CB -0.067 31.701 31.700 0.114 0.000 0.788 543 W N -2.261 119.053 121.300 0.023 0.000 3.127 543 W HA 0.508 5.171 4.660 0.004 0.000 0.344 543 W C -0.293 176.249 176.519 0.037 0.000 1.151 543 W CA -0.051 57.307 57.345 0.021 0.000 1.765 543 W CB -0.341 29.124 29.460 0.009 0.000 1.085 543 W HN -0.076 nan 8.180 nan 0.000 0.596 544 S N 1.950 117.428 115.700 -0.371 0.000 2.356 544 S HA 0.346 4.818 4.470 0.003 0.000 0.171 544 S C -1.923 172.608 174.600 -0.115 0.000 1.399 544 S CA -0.810 57.260 58.200 -0.217 0.000 1.225 544 S CB 0.739 63.682 63.200 -0.427 0.000 1.271 544 S HN -0.329 nan 8.310 nan 0.000 0.427 545 P HA -0.062 nan 4.420 nan 0.000 0.218 545 P C 1.064 178.288 177.300 -0.127 0.000 1.146 545 P CA 0.907 63.956 63.100 -0.084 0.000 0.813 545 P CB 0.075 31.744 31.700 -0.050 0.000 0.778 546 R N -2.066 118.320 120.500 -0.190 0.000 2.339 546 R HA -0.000 4.342 4.340 0.003 0.000 0.199 546 R C 0.294 176.240 176.300 -0.590 0.000 1.018 546 R CA 0.479 56.355 56.100 -0.374 0.000 1.036 546 R CB -0.439 29.594 30.300 -0.446 0.000 0.899 546 R HN 0.469 nan 8.270 nan 0.000 0.473 547 H N -0.980 118.000 119.070 -0.150 0.000 2.754 547 H HA 0.437 4.995 4.556 0.004 0.000 0.352 547 H C -0.165 175.071 175.328 -0.153 0.000 1.213 547 H CA -0.922 55.031 56.048 -0.158 0.000 1.244 547 H CB 0.991 30.623 29.762 -0.216 0.000 1.843 547 H HN -0.282 nan 8.280 nan 0.000 0.587 548 R N 0.525 121.034 120.500 0.016 0.000 2.732 548 R HA 0.530 4.872 4.340 0.003 0.000 0.278 548 R C -1.165 175.114 176.300 -0.035 0.000 0.976 548 R CA -1.041 55.044 56.100 -0.025 0.000 0.963 548 R CB 2.028 32.319 30.300 -0.015 0.000 1.150 548 R HN 0.319 nan 8.270 nan 0.000 0.478 549 V N 2.253 122.146 119.914 -0.034 0.000 2.378 549 V HA 0.291 4.413 4.120 0.003 0.000 0.288 549 V C -0.276 175.819 176.094 0.001 0.000 1.016 549 V CA -0.791 61.502 62.300 -0.013 0.000 0.840 549 V CB 1.951 33.773 31.823 -0.002 0.000 0.994 549 V HN 0.387 nan 8.190 nan 0.000 0.431 550 V N 6.921 126.840 119.914 0.008 0.000 2.328 550 V HA 0.568 4.691 4.120 0.003 0.000 0.278 550 V C -0.088 176.016 176.094 0.018 0.000 1.021 550 V CA -0.257 62.050 62.300 0.011 0.000 0.838 550 V CB 1.247 33.076 31.823 0.010 0.000 0.999 550 V HN 1.058 nan 8.190 nan 0.000 0.447 551 Q N 5.269 125.080 119.800 0.019 0.000 2.462 551 Q HA 0.644 4.986 4.340 0.003 0.000 0.285 551 Q C -3.139 172.873 176.000 0.020 0.000 1.035 551 Q CA -2.336 53.481 55.803 0.023 0.000 0.799 551 Q CB 2.530 31.285 28.738 0.029 0.000 1.452 551 Q HN 0.315 nan 8.270 nan 0.000 0.404 552 P HA 0.048 nan 4.420 nan 0.000 0.268 552 P C -0.761 176.547 177.300 0.014 0.000 1.204 552 P CA 0.403 63.513 63.100 0.017 0.000 0.768 552 P CB 0.729 32.439 31.700 0.016 0.000 0.842 553 T N 0.583 115.144 114.554 0.011 0.000 2.930 553 T HA 0.592 4.944 4.350 0.003 0.000 0.290 553 T C -0.768 173.932 174.700 0.001 0.000 1.052 553 T CA -0.984 61.120 62.100 0.008 0.000 1.017 553 T CB 0.931 69.805 68.868 0.010 0.000 1.137 553 T HN 0.141 nan 8.240 nan 0.000 0.511 554 L N 1.480 122.701 121.223 -0.004 0.000 2.257 554 L HA 0.589 4.931 4.340 0.003 0.000 0.290 554 L C -0.060 176.805 176.870 -0.007 0.000 1.044 554 L CA -0.363 54.467 54.840 -0.017 0.000 0.810 554 L CB 0.459 42.506 42.059 -0.020 0.000 1.193 554 L HN 0.927 nan 8.230 nan 0.000 0.425 555 E N 3.513 123.707 120.200 -0.010 0.000 2.171 555 E HA 0.663 5.015 4.350 0.003 0.000 0.271 555 E C -1.150 175.445 176.600 -0.008 0.000 0.916 555 E CA -0.433 55.966 56.400 -0.002 0.000 0.774 555 E CB 1.311 31.014 29.700 0.006 0.000 1.128 555 E HN 0.771 nan 8.360 nan 0.000 0.403 556 Q N 2.023 121.820 119.800 -0.004 0.000 2.316 556 Q HA 0.460 4.802 4.340 0.003 0.000 0.264 556 Q C -0.773 175.222 176.000 -0.009 0.000 0.987 556 Q CA -0.722 55.076 55.803 -0.007 0.000 0.852 556 Q CB 1.807 30.546 28.738 0.002 0.000 1.287 556 Q HN 0.566 nan 8.270 nan 0.000 0.448 557 T N 2.958 117.511 114.554 -0.002 0.000 2.807 557 T HA 0.516 4.868 4.350 0.003 0.000 0.279 557 T C -0.574 174.106 174.700 -0.033 0.000 0.993 557 T CA -0.615 61.456 62.100 -0.048 0.000 0.970 557 T CB 1.192 70.019 68.868 -0.068 0.000 0.950 557 T HN 0.669 nan 8.240 nan 0.000 0.441 558 Q N 1.919 121.661 119.800 -0.098 0.000 2.222 558 Q HA 0.456 4.799 4.340 0.003 0.000 0.252 558 Q C -1.191 174.737 176.000 -0.120 0.000 0.926 558 Q CA -0.517 55.277 55.803 -0.014 0.000 0.899 558 Q CB 1.336 30.066 28.738 -0.015 0.000 1.250 558 Q HN 0.651 nan 8.270 nan 0.000 0.441 559 Y N -0.502 119.812 120.300 0.022 0.000 2.350 559 Y HA 0.259 4.811 4.550 0.003 0.000 0.338 559 Y C 0.784 176.691 175.900 0.011 0.000 0.961 559 Y CA -0.492 57.665 58.100 0.095 0.000 1.100 559 Y CB 2.151 40.771 38.460 0.267 0.000 1.179 559 Y HN 0.545 nan 8.280 nan 0.000 0.454 560 S N 1.270 116.990 115.700 0.032 0.000 2.506 560 S HA 0.140 4.612 4.470 0.003 0.000 0.219 560 S C -0.783 173.417 174.600 -0.667 0.000 1.031 560 S CA -0.099 57.873 58.200 -0.379 0.000 0.911 560 S CB 0.290 63.148 63.200 -0.569 0.000 0.812 560 S HN 0.627 nan 8.310 nan 0.000 0.497 561 W N 1.274 122.648 121.300 0.124 0.000 3.032 561 W HA 0.481 5.143 4.660 0.003 0.000 0.335 561 W C 0.718 177.290 176.519 0.089 0.000 1.154 561 W CA -0.830 56.568 57.345 0.088 0.000 1.204 561 W CB 0.771 30.265 29.460 0.057 0.000 1.416 561 W HN -0.120 nan 8.180 nan 0.000 0.521 562 E N 0.464 120.837 120.200 0.288 0.000 2.097 562 E HA -0.301 4.052 4.350 0.003 0.000 0.196 562 E C 2.014 178.673 176.600 0.099 0.000 1.000 562 E CA 1.426 57.917 56.400 0.152 0.000 0.804 562 E CB 0.050 29.818 29.700 0.112 0.000 0.740 562 E HN 0.206 nan 8.360 nan 0.000 0.454 563 R N 1.426 121.999 120.500 0.123 0.000 2.120 563 R HA -0.142 4.200 4.340 0.003 0.000 0.234 563 R C 1.887 178.211 176.300 0.039 0.000 1.123 563 R CA 1.568 57.700 56.100 0.054 0.000 0.975 563 R CB -0.276 30.059 30.300 0.060 0.000 0.866 563 R HN 0.268 nan 8.270 nan 0.000 0.446 564 Q N -1.175 118.705 119.800 0.134 0.000 2.224 564 Q HA 0.006 4.348 4.340 0.003 0.000 0.203 564 Q C 1.167 177.223 176.000 0.094 0.000 0.970 564 Q CA 1.425 57.322 55.803 0.157 0.000 0.865 564 Q CB 0.058 28.966 28.738 0.285 0.000 0.922 564 Q HN 0.389 nan 8.270 nan 0.000 0.445 565 A N 0.161 122.987 122.820 0.010 0.000 2.423 565 A HA 0.484 4.806 4.320 0.003 0.000 0.246 565 A C 0.463 177.835 177.584 -0.354 0.000 1.278 565 A CA -0.107 51.787 52.037 -0.238 0.000 0.903 565 A CB 0.378 19.270 19.000 -0.179 0.000 0.997 565 A HN 0.184 nan 8.150 nan 0.000 0.510 566 A N 0.387 123.003 122.820 -0.339 0.000 2.366 566 A HA 0.652 4.974 4.320 0.003 0.000 0.322 566 A C -0.852 176.651 177.584 -0.135 0.000 1.397 566 A CA -0.302 51.574 52.037 -0.268 0.000 0.984 566 A CB -0.586 18.180 19.000 -0.391 0.000 1.149 566 A HN 0.279 nan 8.150 nan 0.000 0.540 567 F N 2.317 122.364 119.950 0.163 0.000 2.391 567 F HA 0.422 4.951 4.527 0.004 0.000 0.359 567 F C 1.036 176.957 175.800 0.203 0.000 1.122 567 F CA -0.169 57.934 58.000 0.171 0.000 1.120 567 F CB 1.284 40.339 39.000 0.092 0.000 1.142 567 F HN 0.539 nan 8.300 nan 0.000 0.483 568 R N 2.113 122.789 120.500 0.294 0.000 2.577 568 R HA 0.277 4.619 4.340 0.003 0.000 0.269 568 R C 0.722 177.044 176.300 0.038 0.000 1.084 568 R CA -0.518 55.639 56.100 0.094 0.000 1.163 568 R CB 0.567 30.924 30.300 0.094 0.000 1.100 568 R HN 0.607 nan 8.270 nan 0.000 0.547 569 F N 1.254 121.255 119.950 0.086 0.000 2.269 569 F HA -0.183 4.346 4.527 0.003 0.000 0.301 569 F C 2.670 178.515 175.800 0.076 0.000 1.082 569 F CA 1.893 59.939 58.000 0.077 0.000 1.360 569 F CB -0.177 38.840 39.000 0.029 0.000 1.041 569 F HN 0.635 nan 8.300 nan 0.000 0.512 570 K N 0.804 121.341 120.400 0.228 0.000 2.217 570 K HA -0.038 4.284 4.320 0.003 0.000 0.202 570 K C 1.182 177.872 176.600 0.150 0.000 1.051 570 K CA 0.688 57.069 56.287 0.158 0.000 0.952 570 K CB -0.754 31.816 32.500 0.116 0.000 0.736 570 K HN 0.243 nan 8.250 nan 0.000 0.453 571 R N 0.836 121.437 120.500 0.170 0.000 2.543 571 R HA 0.358 4.700 4.340 0.003 0.000 0.277 571 R C 0.105 176.525 176.300 0.200 0.000 1.074 571 R CA 0.375 56.590 56.100 0.193 0.000 1.076 571 R CB 0.470 30.918 30.300 0.247 0.000 0.993 571 R HN 0.351 nan 8.270 nan 0.000 0.459 572 K N 4.130 124.640 120.400 0.184 0.000 2.412 572 K HA 0.055 4.377 4.320 0.003 0.000 0.284 572 K C -0.474 176.229 176.600 0.171 0.000 1.046 572 K CA -0.079 56.300 56.287 0.154 0.000 0.999 572 K CB 0.226 32.804 32.500 0.131 0.000 0.941 572 K HN 0.438 nan 8.250 nan 0.000 0.474 573 L N 5.246 126.517 121.223 0.079 0.000 2.260 573 L HA 0.402 4.744 4.340 0.003 0.000 0.289 573 L C -2.143 174.683 176.870 -0.073 0.000 1.057 573 L CA -1.996 52.799 54.840 -0.074 0.000 0.811 573 L CB 1.139 43.127 42.059 -0.119 0.000 1.184 573 L HN 0.585 nan 8.230 nan 0.000 0.429 574 P HA 0.114 nan 4.420 nan 0.000 0.268 574 P C 0.344 177.612 177.300 -0.054 0.000 1.208 574 P CA -0.207 62.880 63.100 -0.021 0.000 0.777 574 P CB 0.430 32.138 31.700 0.013 0.000 0.875 575 K N -0.413 119.993 120.400 0.010 0.000 2.296 575 K HA -0.001 4.321 4.320 0.003 0.000 0.200 575 K C 0.201 176.704 176.600 -0.162 0.000 1.048 575 K CA 1.031 57.298 56.287 -0.034 0.000 0.966 575 K CB -0.673 31.862 32.500 0.059 0.000 0.754 575 K HN 0.497 nan 8.250 nan 0.000 0.466 576 Y N 0.100 120.317 120.300 -0.139 0.000 2.345 576 Y HA 0.450 5.002 4.550 0.003 0.000 0.331 576 Y C -0.291 175.461 175.900 -0.248 0.000 0.959 576 Y CA -1.191 56.777 58.100 -0.221 0.000 1.204 576 Y CB 1.012 39.286 38.460 -0.310 0.000 1.135 576 Y HN -0.079 nan 8.280 nan 0.000 0.477 577 L N 6.073 127.218 121.223 -0.131 0.000 2.277 577 L HA 0.515 4.857 4.340 0.003 0.000 0.284 577 L C -0.892 175.920 176.870 -0.096 0.000 1.028 577 L CA -0.336 54.437 54.840 -0.111 0.000 0.835 577 L CB 0.628 42.713 42.059 0.043 0.000 1.215 577 L HN 0.451 nan 8.230 nan 0.000 0.425 578 L N 3.125 124.135 121.223 -0.355 0.000 2.329 578 L HA 0.553 4.895 4.340 0.003 0.000 0.279 578 L C -0.910 175.744 176.870 -0.361 0.000 1.014 578 L CA -0.467 54.241 54.840 -0.219 0.000 0.814 578 L CB 1.762 43.695 42.059 -0.209 0.000 1.257 578 L HN 0.335 nan 8.230 nan 0.000 0.424 579 F N 0.906 120.968 119.950 0.187 0.000 2.375 579 F HA 0.426 4.955 4.527 0.003 0.000 0.361 579 F C 0.689 176.606 175.800 0.196 0.000 1.117 579 F CA -0.609 57.525 58.000 0.224 0.000 1.037 579 F CB 1.944 41.068 39.000 0.207 0.000 1.192 579 F HN 0.382 nan 8.300 nan 0.000 0.452 580 T N -0.575 114.125 114.554 0.244 0.000 2.918 580 T HA 0.634 4.986 4.350 0.003 0.000 0.286 580 T C -0.300 174.506 174.700 0.177 0.000 1.026 580 T CA -0.826 61.395 62.100 0.201 0.000 1.031 580 T CB 1.850 70.792 68.868 0.123 0.000 1.046 580 T HN 0.458 nan 8.240 nan 0.000 0.479 581 S N 1.473 117.265 115.700 0.154 0.000 2.608 581 S HA 0.536 5.008 4.470 0.003 0.000 0.291 581 S C -1.784 172.846 174.600 0.051 0.000 1.146 581 S CA -1.906 56.351 58.200 0.096 0.000 1.043 581 S CB 0.906 64.151 63.200 0.075 0.000 1.037 581 S HN 0.621 nan 8.310 nan 0.000 0.520 582 P HA -0.003 nan 4.420 nan 0.000 0.226 582 P C -0.338 176.952 177.300 -0.016 0.000 1.153 582 P CA 0.730 63.835 63.100 0.008 0.000 0.777 582 P CB -0.007 31.694 31.700 0.002 0.000 0.794 583 Q N 0.559 120.338 119.800 -0.035 0.000 2.337 583 Q HA 0.144 4.486 4.340 0.003 0.000 0.270 583 Q C -0.031 175.919 176.000 -0.084 0.000 1.002 583 Q CA 0.315 56.074 55.803 -0.073 0.000 0.888 583 Q CB 0.500 29.171 28.738 -0.112 0.000 1.222 583 Q HN 0.285 nan 8.270 nan 0.000 0.400 584 E N 1.689 121.832 120.200 -0.095 0.000 2.222 584 E HA 0.104 4.456 4.350 0.003 0.000 0.272 584 E C -0.337 176.173 176.600 -0.150 0.000 0.982 584 E CA -0.815 55.528 56.400 -0.095 0.000 0.842 584 E CB 0.905 30.552 29.700 -0.089 0.000 1.144 584 E HN 0.530 nan 8.360 nan 0.000 0.397 585 N N 1.664 120.279 118.700 -0.141 0.000 2.327 585 N HA 0.094 4.836 4.740 0.003 0.000 0.257 585 N C -2.140 173.158 175.510 -0.354 0.000 1.281 585 N CA -1.437 51.477 53.050 -0.228 0.000 0.942 585 N CB -0.306 38.093 38.487 -0.148 0.000 1.199 585 N HN 0.060 nan 8.380 nan 0.000 0.532 586 P HA 0.012 nan 4.420 nan 0.000 0.228 586 P C -0.007 176.805 177.300 -0.814 0.000 1.151 586 P CA 1.217 63.774 63.100 -0.905 0.000 0.770 586 P CB -0.107 30.753 31.700 -1.399 0.000 0.786 587 W N -1.826 119.477 121.300 0.004 0.000 3.239 587 W HA 0.444 5.107 4.660 0.004 0.000 0.348 587 W C 1.136 177.646 176.519 -0.016 0.000 1.183 587 W CA -0.026 57.336 57.345 0.029 0.000 1.819 587 W CB -0.180 29.332 29.460 0.086 0.000 1.091 587 W HN -0.064 nan 8.180 nan 0.000 0.629 588 G N 0.340 109.147 108.800 0.013 0.000 2.141 588 G HA2 -0.243 3.719 3.960 0.003 0.000 0.242 588 G HA3 -0.243 3.719 3.960 0.003 0.000 0.242 588 G C -0.034 174.717 174.900 -0.248 0.000 0.982 588 G CA -0.385 44.641 45.100 -0.123 0.000 0.662 588 G HN 0.416 nan 8.290 nan 0.000 0.527 589 H N 0.569 119.654 119.070 0.025 0.000 2.463 589 H HA 0.421 4.979 4.556 0.004 0.000 0.332 589 H C 0.164 175.491 175.328 -0.002 0.000 1.127 589 H CA -0.223 55.837 56.048 0.020 0.000 1.238 589 H CB 1.416 31.191 29.762 0.021 0.000 1.478 589 H HN 0.108 nan 8.280 nan 0.000 0.499 590 K N 2.238 122.717 120.400 0.130 0.000 2.448 590 K HA 0.105 4.427 4.320 0.003 0.000 0.278 590 K C 0.558 177.222 176.600 0.108 0.000 1.009 590 K CA -0.342 55.996 56.287 0.086 0.000 0.995 590 K CB 0.099 32.654 32.500 0.092 0.000 0.917 590 K HN 0.541 nan 8.250 nan 0.000 0.481 591 R N 1.525 122.049 120.500 0.040 0.000 2.316 591 R HA 0.198 4.540 4.340 0.003 0.000 0.314 591 R C 0.368 176.814 176.300 0.244 0.000 1.069 591 R CA -0.041 56.078 56.100 0.032 0.000 0.959 591 R CB 0.435 30.590 30.300 -0.242 0.000 0.987 591 R HN 0.832 nan 8.270 nan 0.000 0.446 592 S N 2.198 118.119 115.700 0.368 0.000 2.627 592 S HA 0.500 4.972 4.470 0.003 0.000 0.283 592 S C -1.371 173.477 174.600 0.414 0.000 1.127 592 S CA -0.901 57.549 58.200 0.415 0.000 0.863 592 S CB 1.377 64.790 63.200 0.353 0.000 1.121 592 S HN 0.476 nan 8.310 nan 0.000 0.479 593 Y N 0.401 120.858 120.300 0.261 0.000 2.446 593 Y HA 0.629 5.182 4.550 0.004 0.000 0.345 593 Y C 0.280 176.324 175.900 0.239 0.000 0.984 593 Y CA -0.661 57.548 58.100 0.182 0.000 1.058 593 Y CB 1.989 40.482 38.460 0.054 0.000 1.220 593 Y HN 0.857 nan 8.280 nan 0.000 0.455 594 R N 3.979 124.620 120.500 0.235 0.000 2.460 594 R HA 0.609 4.951 4.340 0.003 0.000 0.303 594 R C -1.906 174.506 176.300 0.188 0.000 0.968 594 R CA -0.900 55.291 56.100 0.151 0.000 0.889 594 R CB 1.047 31.346 30.300 -0.001 0.000 1.123 594 R HN 0.687 nan 8.270 nan 0.000 0.455 595 L N 3.543 124.885 121.223 0.199 0.000 2.296 595 L HA 0.389 4.732 4.340 0.003 0.000 0.286 595 L C -1.099 175.808 176.870 0.062 0.000 1.023 595 L CA 0.051 54.989 54.840 0.163 0.000 0.812 595 L CB 1.616 43.796 42.059 0.202 0.000 1.223 595 L HN 0.725 nan 8.230 nan 0.000 0.421 596 Q N 5.023 124.866 119.800 0.072 0.000 2.321 596 Q HA 0.575 4.918 4.340 0.003 0.000 0.270 596 Q C -1.638 174.423 176.000 0.102 0.000 1.032 596 Q CA -0.543 55.273 55.803 0.023 0.000 0.784 596 Q CB 1.591 30.314 28.738 -0.026 0.000 1.264 596 Q HN 0.794 nan 8.270 nan 0.000 0.448 597 I N 3.239 123.858 120.570 0.081 0.000 2.377 597 I HA 0.251 4.423 4.170 0.003 0.000 0.293 597 I C -0.361 175.847 176.117 0.151 0.000 0.987 597 I CA -0.727 60.655 61.300 0.136 0.000 1.185 597 I CB 1.351 39.402 38.000 0.084 0.000 1.341 597 I HN 0.597 nan 8.210 nan 0.000 0.455 598 H N 5.946 125.064 119.070 0.080 0.000 2.638 598 H HA 0.522 5.080 4.556 0.003 0.000 0.303 598 H C -1.360 174.015 175.328 0.078 0.000 1.034 598 H CA -0.019 56.056 56.048 0.045 0.000 1.225 598 H CB 1.392 31.152 29.762 -0.003 0.000 1.394 598 H HN 0.614 nan 8.280 nan 0.000 0.477 599 S N 4.229 119.813 115.700 -0.193 0.000 2.547 599 S HA 0.317 4.789 4.470 0.003 0.000 0.270 599 S C -0.250 174.304 174.600 -0.078 0.000 1.150 599 S CA -0.710 57.461 58.200 -0.049 0.000 0.850 599 S CB 1.364 64.650 63.200 0.143 0.000 1.118 599 S HN 0.748 nan 8.310 nan 0.000 0.461 600 M N 2.739 122.338 119.600 -0.001 0.000 2.685 600 M HA 0.362 4.844 4.480 0.003 0.000 0.355 600 M C 0.316 176.632 176.300 0.025 0.000 1.197 600 M CA -0.356 54.951 55.300 0.012 0.000 0.947 600 M CB 0.522 33.125 32.600 0.005 0.000 1.346 600 M HN 0.641 nan 8.290 nan 0.000 0.516 601 A N 0.704 123.552 122.820 0.047 0.000 2.313 601 A HA 0.551 4.873 4.320 0.003 0.000 0.261 601 A C -0.325 176.950 177.584 -0.516 0.000 1.090 601 A CA 0.113 52.080 52.037 -0.116 0.000 0.807 601 A CB 0.618 19.655 19.000 0.061 0.000 1.055 601 A HN 0.385 nan 8.150 nan 0.000 0.492 602 D N -1.546 118.298 120.400 -0.927 0.000 2.665 602 D HA 0.319 4.962 4.640 0.003 0.000 0.287 602 D C -1.103 174.566 176.300 -1.051 0.000 1.266 602 D CA -0.418 52.879 54.000 -1.170 0.000 0.830 602 D CB 1.318 41.853 40.800 -0.442 0.000 1.356 602 D HN 0.415 nan 8.370 nan 0.000 0.437 603 Q N 0.609 120.048 119.800 -0.601 0.000 2.255 603 Q HA 0.238 4.580 4.340 0.003 0.000 0.280 603 Q C 0.041 175.918 176.000 -0.205 0.000 1.068 603 Q CA 0.454 56.114 55.803 -0.239 0.000 0.911 603 Q CB 0.972 29.678 28.738 -0.053 0.000 1.157 603 Q HN 0.273 nan 8.270 nan 0.000 0.380 604 V N 4.285 124.090 119.914 -0.181 0.000 2.490 604 V HA 0.118 4.240 4.120 0.003 0.000 0.238 604 V C 0.767 176.806 176.094 -0.092 0.000 1.056 604 V CA 0.547 62.762 62.300 -0.141 0.000 1.075 604 V CB -0.231 31.502 31.823 -0.150 0.000 0.746 604 V HN 0.633 nan 8.190 nan 0.000 0.479 605 L N 0.861 122.036 121.223 -0.081 0.000 2.375 605 L HA 0.431 4.773 4.340 0.003 0.000 0.268 605 L C -2.508 174.354 176.870 -0.014 0.000 1.058 605 L CA -1.822 53.003 54.840 -0.026 0.000 0.803 605 L CB 0.983 43.043 42.059 0.002 0.000 1.212 605 L HN 0.106 nan 8.230 nan 0.000 0.451 606 P HA 0.195 nan 4.420 nan 0.000 0.276 606 P C -2.532 174.811 177.300 0.072 0.000 1.235 606 P CA -1.379 61.739 63.100 0.030 0.000 0.772 606 P CB 0.036 31.742 31.700 0.010 0.000 0.871 607 P HA 0.085 nan 4.420 nan 0.000 0.264 607 P C 1.048 178.395 177.300 0.078 0.000 1.193 607 P CA 1.154 64.269 63.100 0.026 0.000 0.763 607 P CB 0.109 31.810 31.700 0.002 0.000 0.810 608 G N 1.960 110.804 108.800 0.074 0.000 2.175 608 G HA2 -0.200 3.762 3.960 0.003 0.000 0.244 608 G HA3 -0.200 3.762 3.960 0.003 0.000 0.244 608 G C -0.362 174.626 174.900 0.147 0.000 0.982 608 G CA -0.506 44.649 45.100 0.092 0.000 0.641 608 G HN 0.603 nan 8.290 nan 0.000 0.527 609 W N 2.426 123.724 121.300 -0.004 0.000 2.311 609 W HA 0.489 5.151 4.660 0.003 0.000 0.317 609 W C 0.839 177.375 176.519 0.029 0.000 1.065 609 W CA 0.117 57.471 57.345 0.016 0.000 1.364 609 W CB 0.297 29.762 29.460 0.007 0.000 1.233 609 W HN 0.411 nan 8.180 nan 0.000 0.409 610 Q N 2.577 121.982 119.800 -0.658 0.000 2.286 610 Q HA -0.379 3.963 4.340 0.003 0.000 0.417 610 Q C 1.288 177.132 176.000 -0.261 0.000 0.587 610 Q CA 2.839 58.336 55.803 -0.510 0.000 0.976 610 Q CB -1.129 27.095 28.738 -0.857 0.000 2.322 610 Q HN 0.659 nan 8.270 nan 0.000 0.927 611 E N 1.169 121.179 120.200 -0.317 0.000 2.338 611 E HA -0.076 4.276 4.350 0.003 0.000 0.197 611 E C 1.642 178.093 176.600 -0.248 0.000 1.007 611 E CA 0.867 57.010 56.400 -0.428 0.000 0.849 611 E CB -0.102 29.359 29.700 -0.398 0.000 0.774 611 E HN 0.354 nan 8.360 nan 0.000 0.506 612 E N 0.738 120.852 120.200 -0.144 0.000 2.331 612 E HA -0.266 4.086 4.350 0.003 0.000 0.199 612 E C 1.664 178.183 176.600 -0.136 0.000 1.008 612 E CA 0.787 57.116 56.400 -0.118 0.000 0.843 612 E CB 0.126 29.808 29.700 -0.031 0.000 0.761 612 E HN 0.213 nan 8.360 nan 0.000 0.507 613 Q N 0.110 119.836 119.800 -0.122 0.000 2.234 613 Q HA -0.072 4.270 4.340 0.003 0.000 0.206 613 Q C 1.711 177.661 176.000 -0.083 0.000 0.980 613 Q CA 1.602 57.351 55.803 -0.091 0.000 0.869 613 Q CB -0.306 28.389 28.738 -0.072 0.000 0.912 613 Q HN 0.294 nan 8.270 nan 0.000 0.436 614 A N 0.061 122.820 122.820 -0.102 0.000 2.123 614 A HA 0.106 4.428 4.320 0.003 0.000 0.214 614 A C 1.313 178.914 177.584 0.028 0.000 1.152 614 A CA 0.905 52.959 52.037 0.029 0.000 0.728 614 A CB -0.297 18.692 19.000 -0.020 0.000 0.814 614 A HN 0.532 nan 8.150 nan 0.000 0.464 615 I N -3.429 116.989 120.570 -0.253 0.000 3.083 615 I HA 0.229 4.401 4.170 0.003 0.000 0.336 615 I C 1.047 176.671 176.117 -0.822 0.000 1.497 615 I CA 0.362 61.207 61.300 -0.758 0.000 0.936 615 I CB -0.035 37.498 38.000 -0.777 0.000 1.671 615 I HN 0.041 nan 8.210 nan 0.000 0.535 616 T N -1.749 112.552 114.554 -0.422 0.000 2.929 616 T HA -0.162 4.190 4.350 0.003 0.000 0.271 616 T C 1.569 176.177 174.700 -0.154 0.000 1.085 616 T CA 1.228 63.198 62.100 -0.216 0.000 1.125 616 T CB -0.506 68.347 68.868 -0.026 0.000 0.874 616 T HN 0.776 nan 8.240 nan 0.000 0.494 617 W N 1.924 123.099 121.300 -0.209 0.000 2.364 617 W HA 0.165 4.827 4.660 0.003 0.000 0.281 617 W C 1.896 178.196 176.519 -0.365 0.000 1.219 617 W CA 0.402 57.373 57.345 -0.624 0.000 1.220 617 W CB -1.070 27.466 29.460 -1.539 0.000 1.127 617 W HN 0.390 nan 8.180 nan 0.000 0.556 618 A N 1.475 123.926 122.820 -0.617 0.000 2.235 618 A HA 0.012 4.334 4.320 0.003 0.000 0.208 618 A C 2.074 179.638 177.584 -0.033 0.000 1.172 618 A CA 0.362 52.205 52.037 -0.323 0.000 0.786 618 A CB -0.690 17.885 19.000 -0.709 0.000 0.804 618 A HN 0.354 nan 8.150 nan 0.000 0.479 619 R N -1.590 118.771 120.500 -0.232 0.000 2.193 619 R HA -0.002 4.340 4.340 0.003 0.000 0.213 619 R C -0.657 175.327 176.300 -0.526 0.000 1.055 619 R CA 0.678 56.537 56.100 -0.402 0.000 0.995 619 R CB -0.042 29.731 30.300 -0.878 0.000 0.893 619 R HN 0.560 nan 8.270 nan 0.000 0.459 620 Y N 0.358 120.644 120.300 -0.023 0.000 2.338 620 Y HA 0.256 4.808 4.550 0.003 0.000 0.328 620 Y C -1.703 174.067 175.900 -0.216 0.000 0.965 620 Y CA -3.233 54.791 58.100 -0.128 0.000 1.208 620 Y CB 1.485 39.994 38.460 0.081 0.000 1.132 620 Y HN -0.138 nan 8.280 nan 0.000 0.469 621 P HA -0.133 nan 4.420 nan 0.000 0.216 621 P C -0.122 177.211 177.300 0.055 0.000 1.150 621 P CA 1.138 64.119 63.100 -0.198 0.000 0.837 621 P CB 0.945 32.452 31.700 -0.322 0.000 0.786 622 L N -1.320 119.981 121.223 0.130 0.000 2.464 622 L HA 0.748 5.090 4.340 0.003 0.000 0.266 622 L C -1.628 175.419 176.870 0.295 0.000 0.965 622 L CA -1.191 53.763 54.840 0.189 0.000 0.833 622 L CB 1.941 44.062 42.059 0.102 0.000 1.296 622 L HN -0.085 nan 8.230 nan 0.000 0.405 623 A N 4.117 127.101 122.820 0.273 0.000 2.475 623 A HA 0.870 5.192 4.320 0.003 0.000 0.301 623 A C -1.707 176.049 177.584 0.286 0.000 1.059 623 A CA -0.581 51.576 52.037 0.200 0.000 0.710 623 A CB 2.011 21.094 19.000 0.138 0.000 1.288 623 A HN 0.528 nan 8.150 nan 0.000 0.408 624 V N 1.994 121.990 119.914 0.138 0.000 2.448 624 V HA 0.718 4.840 4.120 0.003 0.000 0.295 624 V C 0.301 176.517 176.094 0.204 0.000 1.025 624 V CA -0.009 62.382 62.300 0.151 0.000 0.859 624 V CB 1.579 33.350 31.823 -0.086 0.000 0.988 624 V HN 1.172 nan 8.190 nan 0.000 0.431 625 T N 1.224 115.968 114.554 0.318 0.000 2.924 625 T HA 0.578 4.930 4.350 0.003 0.000 0.291 625 T C -0.539 174.278 174.700 0.195 0.000 1.045 625 T CA -0.942 61.312 62.100 0.258 0.000 1.015 625 T CB 1.908 70.993 68.868 0.361 0.000 1.103 625 T HN 0.585 nan 8.240 nan 0.000 0.496 626 K N 1.445 121.925 120.400 0.134 0.000 2.322 626 K HA 0.175 4.497 4.320 0.003 0.000 0.283 626 K C -0.577 176.088 176.600 0.108 0.000 1.042 626 K CA -0.703 55.655 56.287 0.117 0.000 0.958 626 K CB 0.214 32.766 32.500 0.086 0.000 0.984 626 K HN 0.694 nan 8.250 nan 0.000 0.473 627 Y N 4.136 124.449 120.300 0.020 0.000 2.702 627 Y HA -0.056 4.496 4.550 0.003 0.000 0.336 627 Y C -0.184 175.701 175.900 -0.024 0.000 1.235 627 Y CA 0.842 58.939 58.100 -0.005 0.000 1.492 627 Y CB 0.501 38.942 38.460 -0.032 0.000 1.308 627 Y HN 0.696 nan 8.280 nan 0.000 0.589 628 R N 4.595 124.659 120.500 -0.727 0.000 2.563 628 R HA 0.136 4.478 4.340 0.003 0.000 0.262 628 R C 0.164 176.098 176.300 -0.609 0.000 1.128 628 R CA -0.608 55.224 56.100 -0.445 0.000 0.969 628 R CB 1.100 31.245 30.300 -0.258 0.000 1.251 628 R HN 0.730 nan 8.270 nan 0.000 0.442 629 E N 1.009 121.030 120.200 -0.299 0.000 2.209 629 E HA -0.123 4.229 4.350 0.003 0.000 0.196 629 E C 1.052 177.585 176.600 -0.110 0.000 0.993 629 E CA 1.867 58.183 56.400 -0.139 0.000 0.819 629 E CB 0.174 29.893 29.700 0.032 0.000 0.745 629 E HN 0.654 nan 8.360 nan 0.000 0.477 630 S N -0.093 115.528 115.700 -0.131 0.000 2.603 630 S HA 0.036 4.508 4.470 0.003 0.000 0.220 630 S C 0.797 175.297 174.600 -0.168 0.000 0.967 630 S CA 0.061 58.203 58.200 -0.095 0.000 0.920 630 S CB -0.014 63.143 63.200 -0.071 0.000 0.773 630 S HN 0.141 nan 8.310 nan 0.000 0.529 631 E N 0.585 120.604 120.200 -0.301 0.000 3.575 631 E HA 0.326 4.678 4.350 0.003 0.000 0.201 631 E C 0.236 176.761 176.600 -0.125 0.000 0.999 631 E CA -0.076 56.021 56.400 -0.504 0.000 1.315 631 E CB 0.447 29.475 29.700 -1.120 0.000 1.146 631 E HN 0.396 nan 8.360 nan 0.000 0.453 632 L N -0.285 120.948 121.223 0.017 0.000 2.395 632 L HA 0.111 4.453 4.340 0.003 0.000 0.218 632 L C 0.601 177.664 176.870 0.321 0.000 1.130 632 L CA 0.521 55.431 54.840 0.118 0.000 0.826 632 L CB 0.175 42.291 42.059 0.096 0.000 0.941 632 L HN 0.252 nan 8.230 nan 0.000 0.451 633 C N -1.293 118.246 119.300 0.398 0.000 2.626 633 C HA 0.284 4.747 4.460 0.003 0.000 0.310 633 C C 1.497 176.773 174.990 0.477 0.000 1.191 633 C CA -0.714 58.556 59.018 0.420 0.000 1.517 633 C CB 1.881 29.771 27.740 0.251 0.000 2.102 633 C HN 0.382 nan 8.230 nan 0.000 0.479 634 S N 0.181 116.103 115.700 0.369 0.000 2.517 634 S HA 0.139 4.611 4.470 0.003 0.000 0.214 634 S C 0.570 175.172 174.600 0.003 0.000 0.991 634 S CA 0.232 58.523 58.200 0.152 0.000 0.906 634 S CB 0.126 63.315 63.200 -0.018 0.000 0.789 634 S HN 0.713 nan 8.310 nan 0.000 0.513 635 S N 0.345 116.001 115.700 -0.073 0.000 2.911 635 S HA 0.849 5.321 4.470 0.003 0.000 0.319 635 S C -1.097 173.361 174.600 -0.237 0.000 1.154 635 S CA 0.079 58.038 58.200 -0.402 0.000 0.857 635 S CB 1.596 64.619 63.200 -0.296 0.000 1.279 635 S HN 0.859 nan 8.310 nan 0.000 0.593 636 S N -0.417 115.143 115.700 -0.234 0.000 2.615 636 S HA 0.311 4.783 4.470 0.003 0.000 0.268 636 S C 0.701 175.346 174.600 0.076 0.000 1.146 636 S CA -0.269 57.991 58.200 0.101 0.000 0.818 636 S CB -0.103 63.331 63.200 0.390 0.000 1.111 636 S HN 1.081 nan 8.310 nan 0.000 0.465 637 I N -1.219 119.294 120.570 -0.095 0.000 2.850 637 I HA 0.036 4.208 4.170 0.003 0.000 0.266 637 I C 1.170 177.131 176.117 -0.260 0.000 1.257 637 I CA 0.979 62.156 61.300 -0.204 0.000 1.465 637 I CB -0.610 37.229 38.000 -0.267 0.000 1.091 637 I HN 0.675 nan 8.210 nan 0.000 0.467 638 Y N -0.162 120.250 120.300 0.187 0.000 2.497 638 Y HA 0.101 4.653 4.550 0.004 0.000 0.265 638 Y C 2.246 178.202 175.900 0.093 0.000 1.111 638 Y CA 0.137 58.297 58.100 0.101 0.000 1.288 638 Y CB -0.381 38.120 38.460 0.068 0.000 1.082 638 Y HN 0.126 nan 8.280 nan 0.000 0.536 639 H N -0.014 119.138 119.070 0.137 0.000 2.387 639 H HA -0.193 4.365 4.556 0.004 0.000 0.299 639 H C 2.162 177.512 175.328 0.037 0.000 1.090 639 H CA 1.872 57.973 56.048 0.088 0.000 1.332 639 H CB -0.085 29.741 29.762 0.108 0.000 1.386 639 H HN 0.243 nan 8.280 nan 0.000 0.516 640 Q N 0.561 120.463 119.800 0.171 0.000 2.096 640 Q HA -0.129 4.213 4.340 0.003 0.000 0.204 640 Q C 1.115 177.130 176.000 0.025 0.000 0.982 640 Q CA 1.840 57.711 55.803 0.113 0.000 0.850 640 Q CB -0.003 28.801 28.738 0.110 0.000 0.901 640 Q HN 0.332 nan 8.270 nan 0.000 0.422 641 N N -0.237 118.470 118.700 0.011 0.000 2.254 641 N HA 0.040 4.783 4.740 0.003 0.000 0.190 641 N C -0.762 174.794 175.510 0.076 0.000 1.107 641 N CA 0.421 53.476 53.050 0.009 0.000 0.869 641 N CB 0.687 39.144 38.487 -0.050 0.000 0.983 641 N HN 0.170 nan 8.380 nan 0.000 0.487 642 D N 0.190 120.629 120.400 0.065 0.000 2.552 642 D HA 0.191 4.834 4.640 0.003 0.000 0.285 642 D C -1.983 174.283 176.300 -0.056 0.000 1.206 642 D CA -1.702 52.381 54.000 0.139 0.000 0.826 642 D CB 1.248 42.189 40.800 0.236 0.000 1.179 642 D HN -0.014 nan 8.370 nan 0.000 0.508 643 P HA -0.041 nan 4.420 nan 0.000 0.226 643 P C 1.454 178.510 177.300 -0.407 0.000 1.153 643 P CA 0.463 63.299 63.100 -0.439 0.000 0.777 643 P CB 0.107 31.412 31.700 -0.657 0.000 0.794 644 W N 0.422 121.683 121.300 -0.066 0.000 2.436 644 W HA 0.023 4.685 4.660 0.004 0.000 0.284 644 W C 0.480 176.954 176.519 -0.076 0.000 1.225 644 W CA 0.690 57.982 57.345 -0.087 0.000 1.271 644 W CB -0.589 28.819 29.460 -0.088 0.000 1.114 644 W HN 0.088 nan 8.180 nan 0.000 0.559 645 D N -0.671 119.817 120.400 0.147 0.000 2.849 645 D HA 0.191 4.833 4.640 0.003 0.000 0.314 645 D C -2.585 173.645 176.300 -0.118 0.000 1.210 645 D CA -1.810 52.224 54.000 0.058 0.000 0.756 645 D CB 0.760 41.671 40.800 0.186 0.000 1.222 645 D HN -0.177 nan 8.370 nan 0.000 0.521 646 P HA 0.307 nan 4.420 nan 0.000 0.276 646 P C -2.006 175.072 177.300 -0.369 0.000 1.252 646 P CA -1.106 61.719 63.100 -0.458 0.000 0.802 646 P CB 0.936 32.084 31.700 -0.919 0.000 1.035 647 P HA 0.015 nan 4.420 nan 0.000 0.229 647 P C 0.012 177.339 177.300 0.044 0.000 1.160 647 P CA 0.847 63.868 63.100 -0.132 0.000 0.777 647 P CB 0.366 32.046 31.700 -0.033 0.000 0.814 648 V N 0.519 120.533 119.914 0.166 0.000 2.577 648 V HA 0.268 4.391 4.120 0.003 0.000 0.303 648 V C -0.292 175.907 176.094 0.175 0.000 1.042 648 V CA -0.805 61.637 62.300 0.237 0.000 0.872 648 V CB 2.846 34.883 31.823 0.357 0.000 0.998 648 V HN -0.337 nan 8.190 nan 0.000 0.423 649 V N 5.016 124.920 119.914 -0.017 0.000 2.349 649 V HA 0.269 4.391 4.120 0.003 0.000 0.284 649 V C 0.643 176.513 176.094 -0.374 0.000 1.014 649 V CA -0.277 61.964 62.300 -0.098 0.000 0.826 649 V CB 1.117 32.883 31.823 -0.094 0.000 1.009 649 V HN 0.863 nan 8.190 nan 0.000 0.431 650 F N 3.530 123.180 119.950 -0.500 0.000 2.126 650 F HA -0.185 4.344 4.527 0.004 0.000 0.299 650 F C 2.147 177.513 175.800 -0.725 0.000 1.096 650 F CA 2.369 59.817 58.000 -0.920 0.000 1.255 650 F CB 0.190 38.898 39.000 -0.485 0.000 0.997 650 F HN 0.671 nan 8.300 nan 0.000 0.479 651 E N 0.509 120.518 120.200 -0.319 0.000 2.171 651 E HA -0.285 4.067 4.350 0.003 0.000 0.197 651 E C 2.031 178.263 176.600 -0.614 0.000 0.997 651 E CA 1.867 58.106 56.400 -0.267 0.000 0.810 651 E CB -0.414 29.261 29.700 -0.041 0.000 0.738 651 E HN 0.639 nan 8.360 nan 0.000 0.467 652 Q N -1.141 118.220 119.800 -0.733 0.000 2.226 652 Q HA -0.124 4.218 4.340 0.003 0.000 0.204 652 Q C 1.540 177.329 176.000 -0.351 0.000 0.975 652 Q CA 1.035 56.338 55.803 -0.834 0.000 0.866 652 Q CB -0.156 28.355 28.738 -0.379 0.000 0.915 652 Q HN 0.366 nan 8.270 nan 0.000 0.440 653 F N 0.076 119.706 119.950 -0.533 0.000 2.365 653 F HA -0.089 4.440 4.527 0.003 0.000 0.300 653 F C 1.696 177.291 175.800 -0.342 0.000 1.090 653 F CA 0.693 58.425 58.000 -0.446 0.000 1.408 653 F CB -0.471 38.138 39.000 -0.652 0.000 1.060 653 F HN 0.069 nan 8.300 nan 0.000 0.534 654 L N -1.808 119.291 121.223 -0.205 0.000 2.529 654 L HA 0.023 4.366 4.340 0.003 0.000 0.223 654 L C 2.140 179.049 176.870 0.065 0.000 1.113 654 L CA 0.226 55.012 54.840 -0.090 0.000 0.861 654 L CB -0.773 41.196 42.059 -0.150 0.000 1.012 654 L HN 0.173 nan 8.230 nan 0.000 0.461 655 H N 1.400 120.458 119.070 -0.020 0.000 2.353 655 H HA -0.166 4.392 4.556 0.003 0.000 0.298 655 H C 1.688 177.022 175.328 0.009 0.000 1.103 655 H CA 1.572 57.619 56.048 -0.002 0.000 1.293 655 H CB 0.104 29.868 29.762 0.003 0.000 1.372 655 H HN 0.505 nan 8.280 nan 0.000 0.501 656 N N 0.672 119.464 118.700 0.153 0.000 2.461 656 N HA -0.124 4.618 4.740 0.003 0.000 0.188 656 N C -0.013 175.561 175.510 0.106 0.000 1.134 656 N CA 0.497 53.609 53.050 0.103 0.000 0.878 656 N CB -0.380 38.161 38.487 0.089 0.000 0.972 656 N HN 0.172 nan 8.380 nan 0.000 0.456 657 N N 1.036 119.805 118.700 0.115 0.000 2.686 657 N HA -0.216 4.526 4.740 0.003 0.000 0.261 657 N C -1.289 174.393 175.510 0.287 0.000 1.001 657 N CA 0.530 53.673 53.050 0.154 0.000 0.764 657 N CB -1.154 37.378 38.487 0.074 0.000 0.898 657 N HN 0.566 nan 8.380 nan 0.000 0.544 658 E N 0.278 120.629 120.200 0.252 0.000 2.392 658 E HA 0.069 4.421 4.350 0.003 0.000 0.259 658 E C 0.469 177.254 176.600 0.308 0.000 1.108 658 E CA -0.697 55.871 56.400 0.280 0.000 0.916 658 E CB 0.439 30.230 29.700 0.152 0.000 0.989 658 E HN 0.336 nan 8.360 nan 0.000 0.432 659 N N 2.422 121.221 118.700 0.165 0.000 2.468 659 N HA -0.010 4.733 4.740 0.003 0.000 0.265 659 N C -0.005 175.414 175.510 -0.152 0.000 1.199 659 N CA 0.228 53.090 53.050 -0.313 0.000 0.928 659 N CB 0.462 38.674 38.487 -0.458 0.000 1.059 659 N HN 0.464 nan 8.380 nan 0.000 0.467 660 I N -0.301 120.162 120.570 -0.179 0.000 3.707 660 I HA 0.355 4.527 4.170 0.003 0.000 0.330 660 I C -0.602 175.495 176.117 -0.034 0.000 1.572 660 I CA -0.591 60.689 61.300 -0.034 0.000 1.104 660 I CB 0.145 38.180 38.000 0.059 0.000 1.240 660 I HN 0.205 nan 8.210 nan 0.000 0.475 661 E N 2.419 122.547 120.200 -0.120 0.000 2.194 661 E HA 0.273 4.626 4.350 0.003 0.000 0.284 661 E C -0.422 176.157 176.600 -0.035 0.000 1.035 661 E CA -0.633 55.722 56.400 -0.075 0.000 0.836 661 E CB 0.350 29.971 29.700 -0.133 0.000 1.070 661 E HN 0.263 nan 8.360 nan 0.000 0.401 662 N N 2.593 121.297 118.700 0.006 0.000 2.696 662 N HA -0.193 4.549 4.740 0.003 0.000 0.256 662 N C -0.685 174.834 175.510 0.015 0.000 1.031 662 N CA 1.051 54.110 53.050 0.014 0.000 0.730 662 N CB -0.719 37.769 38.487 0.000 0.000 0.894 662 N HN 0.545 nan 8.380 nan 0.000 0.544 663 E N 0.277 120.498 120.200 0.035 0.000 2.410 663 E HA 0.385 4.737 4.350 0.003 0.000 0.269 663 E C -1.256 175.375 176.600 0.053 0.000 0.937 663 E CA -0.755 55.668 56.400 0.039 0.000 0.793 663 E CB 1.007 30.732 29.700 0.042 0.000 1.314 663 E HN 0.093 nan 8.360 nan 0.000 0.447 664 D N 1.696 122.123 120.400 0.044 0.000 2.344 664 D HA 0.191 4.833 4.640 0.003 0.000 0.253 664 D C -0.644 175.715 176.300 0.098 0.000 1.255 664 D CA 0.101 54.121 54.000 0.033 0.000 0.894 664 D CB -0.113 40.665 40.800 -0.036 0.000 1.067 664 D HN 0.317 nan 8.370 nan 0.000 0.492 665 L N 2.680 123.962 121.223 0.098 0.000 2.344 665 L HA 0.567 4.909 4.340 0.003 0.000 0.272 665 L C -0.181 176.723 176.870 0.055 0.000 1.035 665 L CA -1.211 53.703 54.840 0.124 0.000 0.807 665 L CB 1.953 44.133 42.059 0.202 0.000 1.237 665 L HN 0.049 nan 8.230 nan 0.000 0.442 666 V N 1.172 121.109 119.914 0.039 0.000 2.531 666 V HA 0.571 4.693 4.120 0.003 0.000 0.301 666 V C 0.035 176.015 176.094 -0.190 0.000 1.034 666 V CA -0.652 61.556 62.300 -0.154 0.000 0.865 666 V CB 1.667 33.374 31.823 -0.194 0.000 0.995 666 V HN 0.864 nan 8.190 nan 0.000 0.424 667 A N 4.424 127.015 122.820 -0.381 0.000 2.309 667 A HA 0.793 5.116 4.320 0.003 0.000 0.298 667 A C -1.340 176.036 177.584 -0.347 0.000 1.165 667 A CA -0.279 51.588 52.037 -0.284 0.000 0.821 667 A CB 0.445 19.132 19.000 -0.522 0.000 1.102 667 A HN 0.818 nan 8.150 nan 0.000 0.500 668 W N 1.498 122.759 121.300 -0.065 0.000 2.683 668 W HA 0.546 5.208 4.660 0.003 0.000 0.329 668 W C -0.939 175.499 176.519 -0.134 0.000 1.037 668 W CA -0.536 56.722 57.345 -0.144 0.000 1.232 668 W CB 2.002 31.483 29.460 0.036 0.000 1.390 668 W HN 0.422 nan 8.180 nan 0.000 0.465 669 V N 2.901 122.774 119.914 -0.067 0.000 2.487 669 V HA 0.525 4.647 4.120 0.003 0.000 0.298 669 V C -0.211 176.026 176.094 0.239 0.000 1.028 669 V CA -0.779 61.518 62.300 -0.004 0.000 0.860 669 V CB 1.783 33.407 31.823 -0.332 0.000 0.991 669 V HN 0.490 nan 8.190 nan 0.000 0.427 670 T N 4.929 119.709 114.554 0.377 0.000 2.749 670 T HA 0.608 4.961 4.350 0.003 0.000 0.287 670 T C -0.213 174.746 174.700 0.431 0.000 0.970 670 T CA -0.329 62.082 62.100 0.518 0.000 0.980 670 T CB 1.283 70.509 68.868 0.597 0.000 0.924 670 T HN 0.718 nan 8.240 nan 0.000 0.456 671 V N 0.874 121.048 119.914 0.432 0.000 2.960 671 V HA 1.117 5.239 4.120 0.003 0.000 0.315 671 V C 0.101 176.391 176.094 0.326 0.000 1.087 671 V CA -0.543 61.977 62.300 0.366 0.000 0.982 671 V CB 1.599 33.639 31.823 0.362 0.000 1.039 671 V HN 1.090 nan 8.190 nan 0.000 0.437 672 G N 1.433 110.398 108.800 0.275 0.000 2.321 672 G HA2 0.688 4.650 3.960 0.003 0.000 0.296 672 G HA3 0.688 4.650 3.960 0.003 0.000 0.296 672 G C -1.565 173.512 174.900 0.295 0.000 1.287 672 G CA -0.075 45.162 45.100 0.229 0.000 0.846 672 G HN 2.184 nan 8.290 nan 0.000 0.508 673 F N -1.731 118.245 119.950 0.044 0.000 2.672 673 F HA 0.703 5.232 4.527 0.004 0.000 0.311 673 F C -1.222 174.589 175.800 0.019 0.000 1.113 673 F CA -1.407 56.595 58.000 0.003 0.000 0.996 673 F CB 1.334 40.321 39.000 -0.023 0.000 1.286 673 F HN 0.624 nan 8.300 nan 0.000 0.441 674 L N 3.908 125.195 121.223 0.106 0.000 2.410 674 L HA 0.327 4.670 4.340 0.003 0.000 0.273 674 L C -0.621 176.351 176.870 0.169 0.000 1.144 674 L CA 0.428 55.276 54.840 0.013 0.000 0.863 674 L CB 0.144 42.201 42.059 -0.003 0.000 1.140 674 L HN 0.868 nan 8.230 nan 0.000 0.463 675 H N 5.861 124.827 119.070 -0.175 0.000 2.685 675 H HA 0.429 4.987 4.556 0.004 0.000 0.307 675 H C -0.918 174.323 175.328 -0.146 0.000 1.017 675 H CA -0.983 55.010 56.048 -0.092 0.000 1.237 675 H CB 0.829 30.497 29.762 -0.157 0.000 1.409 675 H HN 0.647 nan 8.280 nan 0.000 0.488 676 I N 8.260 128.974 120.570 0.240 0.000 2.297 676 I HA 0.211 4.383 4.170 0.003 0.000 0.291 676 I C -2.172 174.129 176.117 0.308 0.000 1.033 676 I CA -2.044 59.354 61.300 0.163 0.000 1.253 676 I CB 1.280 39.356 38.000 0.126 0.000 1.396 676 I HN 0.483 nan 8.210 nan 0.000 0.476 677 P HA 0.130 nan 4.420 nan 0.000 0.269 677 P C -1.253 176.207 177.300 0.267 0.000 1.215 677 P CA 0.177 63.384 63.100 0.178 0.000 0.780 677 P CB 0.407 32.134 31.700 0.045 0.000 0.898 678 H N -3.250 115.909 119.070 0.149 0.000 2.990 678 H HA 0.441 4.999 4.556 0.004 0.000 0.343 678 H C 0.860 176.234 175.328 0.077 0.000 1.270 678 H CA -0.840 55.262 56.048 0.090 0.000 1.118 678 H CB 0.397 30.207 29.762 0.080 0.000 1.861 678 H HN 0.182 nan 8.280 nan 0.000 0.544 679 S N -0.092 115.667 115.700 0.098 0.000 2.419 679 S HA -0.217 4.255 4.470 0.003 0.000 0.235 679 S C 1.114 175.714 174.600 0.001 0.000 1.019 679 S CA 1.540 59.757 58.200 0.028 0.000 0.982 679 S CB -0.495 62.719 63.200 0.024 0.000 0.789 679 S HN 0.706 nan 8.310 nan 0.000 0.490 680 E N 1.590 121.807 120.200 0.028 0.000 2.409 680 E HA -0.018 4.334 4.350 0.003 0.000 0.198 680 E C 1.069 177.602 176.600 -0.112 0.000 1.024 680 E CA 0.801 57.205 56.400 0.006 0.000 0.861 680 E CB -0.284 29.502 29.700 0.143 0.000 0.788 680 E HN 0.532 nan 8.360 nan 0.000 0.521 681 D N 0.061 120.312 120.400 -0.248 0.000 2.378 681 D HA -0.058 4.585 4.640 0.003 0.000 0.227 681 D C -0.013 176.241 176.300 -0.076 0.000 1.012 681 D CA 0.524 54.431 54.000 -0.155 0.000 0.905 681 D CB 0.213 40.950 40.800 -0.105 0.000 0.895 681 D HN 0.140 nan 8.370 nan 0.000 0.532 682 I N 2.297 122.840 120.570 -0.045 0.000 2.321 682 I HA 0.103 4.275 4.170 0.003 0.000 0.291 682 I C -1.203 174.880 176.117 -0.057 0.000 0.998 682 I CA -1.970 59.331 61.300 0.001 0.000 1.227 682 I CB 1.397 39.456 38.000 0.098 0.000 1.368 682 I HN -0.226 nan 8.210 nan 0.000 0.466 683 P HA 0.059 nan 4.420 nan 0.000 0.230 683 P C 0.028 177.072 177.300 -0.427 0.000 1.168 683 P CA 0.655 63.626 63.100 -0.216 0.000 0.793 683 P CB 0.891 32.382 31.700 -0.348 0.000 0.851 684 N N -0.621 117.820 118.700 -0.431 0.000 2.262 684 N HA 0.232 4.974 4.740 0.003 0.000 0.295 684 N C -0.474 174.931 175.510 -0.175 0.000 1.161 684 N CA -0.475 52.339 53.050 -0.394 0.000 0.767 684 N CB 2.110 40.346 38.487 -0.418 0.000 1.499 684 N HN -0.124 nan 8.380 nan 0.000 0.476 685 T N -0.568 113.936 114.554 -0.083 0.000 2.930 685 T HA 0.473 4.825 4.350 0.003 0.000 0.306 685 T C 0.182 174.855 174.700 -0.046 0.000 1.045 685 T CA -0.630 61.458 62.100 -0.019 0.000 1.134 685 T CB 0.967 69.889 68.868 0.091 0.000 0.961 685 T HN 0.456 nan 8.240 nan 0.000 0.545 686 A N 2.692 125.486 122.820 -0.043 0.000 2.299 686 A HA 0.662 4.984 4.320 0.003 0.000 0.332 686 A C 1.560 179.118 177.584 -0.044 0.000 1.131 686 A CA -0.286 51.726 52.037 -0.042 0.000 0.844 686 A CB 0.822 19.802 19.000 -0.032 0.000 1.251 686 A HN 1.096 nan 8.150 nan 0.000 0.486 687 T N -1.946 112.581 114.554 -0.044 0.000 2.951 687 T HA 0.087 4.440 4.350 0.003 0.000 0.268 687 T C -1.582 173.095 174.700 -0.037 0.000 1.073 687 T CA 0.305 62.384 62.100 -0.035 0.000 1.134 687 T CB -1.445 67.386 68.868 -0.061 0.000 0.884 687 T HN 0.422 nan 8.240 nan 0.000 0.479 688 P HA 0.330 nan 4.420 nan 0.000 0.267 688 P C 1.086 178.344 177.300 -0.069 0.000 1.209 688 P CA 1.071 64.145 63.100 -0.043 0.000 0.763 688 P CB 0.179 31.858 31.700 -0.035 0.000 0.816 689 G N 3.193 111.946 108.800 -0.078 0.000 2.189 689 G HA2 -0.280 3.682 3.960 0.003 0.000 0.267 689 G HA3 -0.280 3.682 3.960 0.003 0.000 0.267 689 G C 0.615 175.376 174.900 -0.232 0.000 0.975 689 G CA -0.142 44.889 45.100 -0.116 0.000 0.644 689 G HN 0.559 nan 8.290 nan 0.000 0.537 690 N N 0.555 119.103 118.700 -0.253 0.000 2.538 690 N HA 0.374 5.116 4.740 0.003 0.000 0.291 690 N C 0.117 175.389 175.510 -0.397 0.000 1.323 690 N CA 0.689 53.453 53.050 -0.476 0.000 0.934 690 N CB 0.825 39.111 38.487 -0.334 0.000 1.255 690 N HN 0.731 nan 8.380 nan 0.000 0.509 691 S N -1.144 114.375 115.700 -0.301 0.000 2.568 691 S HA 0.827 5.299 4.470 0.003 0.000 0.293 691 S C -0.197 174.333 174.600 -0.115 0.000 1.089 691 S CA -0.617 57.428 58.200 -0.258 0.000 0.945 691 S CB 2.198 65.197 63.200 -0.335 0.000 1.077 691 S HN -0.058 nan 8.310 nan 0.000 0.485 692 V N -1.400 118.476 119.914 -0.063 0.000 3.159 692 V HA 1.073 5.195 4.120 0.003 0.000 0.308 692 V C 0.352 176.482 176.094 0.060 0.000 1.190 692 V CA 0.036 62.407 62.300 0.117 0.000 1.037 692 V CB 0.999 32.932 31.823 0.182 0.000 1.060 692 V HN 1.788 nan 8.190 nan 0.000 0.437 693 G N 0.789 109.669 108.800 0.135 0.000 2.455 693 G HA2 0.598 4.560 3.960 0.003 0.000 0.223 693 G HA3 0.598 4.560 3.960 0.003 0.000 0.223 693 G C -1.481 173.497 174.900 0.131 0.000 1.226 693 G CA 0.097 45.216 45.100 0.032 0.000 0.948 693 G HN 2.214 nan 8.290 nan 0.000 0.478 694 F N -1.544 118.319 119.950 -0.145 0.000 2.713 694 F HA 0.873 5.402 4.527 0.003 0.000 0.311 694 F C -1.668 174.066 175.800 -0.111 0.000 1.141 694 F CA -1.439 56.499 58.000 -0.102 0.000 0.939 694 F CB 1.144 40.075 39.000 -0.115 0.000 1.325 694 F HN 0.478 nan 8.300 nan 0.000 0.453 695 L N 2.528 123.820 121.223 0.115 0.000 2.334 695 L HA 0.666 5.008 4.340 0.003 0.000 0.273 695 L C -0.848 176.138 176.870 0.192 0.000 1.013 695 L CA -0.629 54.242 54.840 0.051 0.000 0.816 695 L CB 1.921 43.979 42.059 -0.002 0.000 1.278 695 L HN 0.632 nan 8.230 nan 0.000 0.431 696 L N 3.441 124.773 121.223 0.182 0.000 2.298 696 L HA 0.683 5.025 4.340 0.003 0.000 0.284 696 L C -0.398 176.664 176.870 0.320 0.000 1.013 696 L CA -0.623 54.389 54.840 0.287 0.000 0.824 696 L CB 1.354 43.578 42.059 0.274 0.000 1.221 696 L HN 0.677 nan 8.230 nan 0.000 0.418 697 R N 3.310 123.931 120.500 0.201 0.000 2.628 697 R HA 0.678 5.020 4.340 0.003 0.000 0.288 697 R C -3.003 173.018 176.300 -0.465 0.000 0.980 697 R CA -1.958 54.121 56.100 -0.034 0.000 0.891 697 R CB 1.770 32.054 30.300 -0.027 0.000 1.188 697 R HN 0.142 nan 8.270 nan 0.000 0.450 698 P HA 0.063 nan 4.420 nan 0.000 0.271 698 P C -1.308 175.870 177.300 -0.203 0.000 1.216 698 P CA -0.031 62.486 63.100 -0.972 0.000 0.776 698 P CB 0.391 31.794 31.700 -0.494 0.000 0.881 699 F N 3.708 123.526 119.950 -0.219 0.000 2.828 699 F HA 0.290 4.819 4.527 0.003 0.000 0.355 699 F C 0.222 176.040 175.800 0.030 0.000 1.200 699 F CA -0.381 57.596 58.000 -0.038 0.000 1.062 699 F CB 0.427 39.439 39.000 0.020 0.000 1.351 699 F HN 0.282 nan 8.300 nan 0.000 0.504 700 N N 3.587 122.114 118.700 -0.289 0.000 2.753 700 N HA -0.323 4.419 4.740 0.003 0.000 0.251 700 N C 0.776 176.286 175.510 -0.001 0.000 1.097 700 N CA 1.531 54.495 53.050 -0.144 0.000 0.786 700 N CB -1.722 36.654 38.487 -0.184 0.000 1.137 700 N HN 0.707 nan 8.380 nan 0.000 0.566 701 F N 0.064 119.916 119.950 -0.164 0.000 2.163 701 F HA 0.155 4.684 4.527 0.003 0.000 0.297 701 F C 0.743 176.283 175.800 -0.434 0.000 1.094 701 F CA 1.056 58.864 58.000 -0.320 0.000 1.290 701 F CB 0.188 38.894 39.000 -0.490 0.000 1.017 701 F HN -0.020 nan 8.300 nan 0.000 0.483 702 F N -0.013 120.033 119.950 0.160 0.000 2.507 702 F HA 0.351 4.880 4.527 0.003 0.000 0.327 702 F C -1.272 174.560 175.800 0.052 0.000 1.068 702 F CA -2.180 55.874 58.000 0.091 0.000 0.965 702 F CB 0.304 39.381 39.000 0.129 0.000 1.192 702 F HN -0.307 nan 8.300 nan 0.000 0.476 703 P HA -0.069 nan 4.420 nan 0.000 0.221 703 P C -0.648 176.873 177.300 0.369 0.000 1.150 703 P CA 1.197 64.422 63.100 0.207 0.000 0.800 703 P CB 0.158 31.902 31.700 0.074 0.000 0.787 704 E N -2.047 118.299 120.200 0.244 0.000 2.425 704 E HA 0.216 4.568 4.350 0.003 0.000 0.272 704 E C -1.328 175.320 176.600 0.079 0.000 1.061 704 E CA -0.946 55.544 56.400 0.150 0.000 0.877 704 E CB -0.198 29.573 29.700 0.118 0.000 1.590 704 E HN -0.324 nan 8.360 nan 0.000 0.462 705 D N 1.819 122.225 120.400 0.010 0.000 2.479 705 D HA 0.013 4.656 4.640 0.003 0.000 0.257 705 D C -1.206 175.029 176.300 -0.109 0.000 1.230 705 D CA -1.606 52.365 54.000 -0.049 0.000 0.912 705 D CB 0.957 41.727 40.800 -0.051 0.000 1.130 705 D HN 0.183 nan 8.370 nan 0.000 0.515 706 P HA -0.117 nan 4.420 nan 0.000 0.230 706 P C 0.988 178.209 177.300 -0.132 0.000 1.158 706 P CA 0.550 63.446 63.100 -0.339 0.000 0.769 706 P CB -0.016 31.104 31.700 -0.968 0.000 0.807 707 S N -0.678 114.963 115.700 -0.099 0.000 2.555 707 S HA -0.022 4.450 4.470 0.003 0.000 0.230 707 S C 1.882 176.448 174.600 -0.055 0.000 0.978 707 S CA 0.215 58.398 58.200 -0.028 0.000 0.934 707 S CB -1.496 61.704 63.200 -0.001 0.000 0.766 707 S HN 0.074 nan 8.310 nan 0.000 0.533 708 L N 0.789 121.964 121.223 -0.079 0.000 2.261 708 L HA -0.027 4.315 4.340 0.003 0.000 0.216 708 L C 2.875 179.666 176.870 -0.131 0.000 1.114 708 L CA 1.044 55.821 54.840 -0.105 0.000 0.777 708 L CB -0.595 41.408 42.059 -0.093 0.000 0.910 708 L HN 0.517 nan 8.230 nan 0.000 0.440 709 A N -1.192 121.565 122.820 -0.105 0.000 2.209 709 A HA -0.053 4.269 4.320 0.003 0.000 0.212 709 A C 1.438 178.954 177.584 -0.115 0.000 1.158 709 A CA 0.391 52.360 52.037 -0.113 0.000 0.742 709 A CB -0.272 18.671 19.000 -0.095 0.000 0.790 709 A HN 0.293 nan 8.150 nan 0.000 0.472 710 S N -0.167 115.475 115.700 -0.096 0.000 2.549 710 S HA 0.215 4.687 4.470 0.003 0.000 0.283 710 S C 0.893 175.437 174.600 -0.093 0.000 1.320 710 S CA -0.501 57.658 58.200 -0.069 0.000 1.058 710 S CB 0.267 63.451 63.200 -0.028 0.000 0.882 710 S HN 0.379 nan 8.310 nan 0.000 0.498 711 R N 2.808 123.285 120.500 -0.038 0.000 2.334 711 R HA 0.187 4.529 4.340 0.003 0.000 0.220 711 R C 0.355 176.732 176.300 0.128 0.000 0.917 711 R CA 0.037 56.148 56.100 0.019 0.000 1.073 711 R CB -0.555 29.796 30.300 0.085 0.000 1.056 711 R HN 0.613 nan 8.270 nan 0.000 0.506 712 D N 0.248 120.699 120.400 0.086 0.000 2.347 712 D HA -0.020 4.622 4.640 0.003 0.000 0.213 712 D C 0.026 176.413 176.300 0.146 0.000 0.985 712 D CA 0.533 54.603 54.000 0.116 0.000 0.879 712 D CB 0.060 40.915 40.800 0.092 0.000 0.919 712 D HN -0.018 nan 8.370 nan 0.000 0.526 713 T N 1.033 115.657 114.554 0.117 0.000 2.933 713 T HA 0.134 4.486 4.350 0.003 0.000 0.306 713 T C 0.343 175.227 174.700 0.306 0.000 1.045 713 T CA 0.142 62.320 62.100 0.131 0.000 1.143 713 T CB 1.242 70.096 68.868 -0.024 0.000 1.003 713 T HN -0.231 nan 8.240 nan 0.000 0.540 714 V N 4.953 125.007 119.914 0.233 0.000 2.604 714 V HA 0.549 4.671 4.120 0.003 0.000 0.305 714 V C -0.071 176.121 176.094 0.164 0.000 1.043 714 V CA -0.832 61.609 62.300 0.234 0.000 0.888 714 V CB 1.813 33.745 31.823 0.180 0.000 0.995 714 V HN 0.738 nan 8.190 nan 0.000 0.429 715 I N 4.312 124.949 120.570 0.112 0.000 2.447 715 I HA 0.491 4.663 4.170 0.003 0.000 0.287 715 I C -0.785 175.207 176.117 -0.210 0.000 1.023 715 I CA -0.888 60.346 61.300 -0.110 0.000 1.083 715 I CB 2.124 40.005 38.000 -0.199 0.000 1.245 715 I HN 0.240 nan 8.210 nan 0.000 0.434 716 V N 5.161 124.999 119.914 -0.128 0.000 2.394 716 V HA 0.352 4.474 4.120 0.003 0.000 0.282 716 V C -0.953 175.055 176.094 -0.143 0.000 1.031 716 V CA -0.390 61.919 62.300 0.016 0.000 0.881 716 V CB 1.060 33.045 31.823 0.270 0.000 0.982 716 V HN 0.586 nan 8.190 nan 0.000 0.451 717 W N 6.004 127.352 121.300 0.079 0.000 2.666 717 W HA 0.569 5.231 4.660 0.003 0.000 0.334 717 W C -2.280 174.222 176.519 -0.030 0.000 1.051 717 W CA -2.341 54.974 57.345 -0.050 0.000 1.224 717 W CB 1.382 30.875 29.460 0.055 0.000 1.405 717 W HN 0.300 nan 8.180 nan 0.000 0.513 718 P HA 0.283 nan 4.420 nan 0.000 0.274 718 P C -0.767 176.623 177.300 0.151 0.000 1.231 718 P CA -0.222 62.943 63.100 0.109 0.000 0.790 718 P CB 1.248 32.925 31.700 -0.037 0.000 0.951 719 R N 0.994 121.584 120.500 0.150 0.000 2.575 719 R HA 0.309 4.651 4.340 0.003 0.000 0.293 719 R C -0.638 175.709 176.300 0.078 0.000 0.983 719 R CA -0.708 55.451 56.100 0.099 0.000 0.887 719 R CB 1.060 31.418 30.300 0.096 0.000 1.184 719 R HN 0.391 nan 8.270 nan 0.000 0.445 720 D N 3.274 123.705 120.400 0.050 0.000 2.450 720 D HA -0.026 4.616 4.640 0.003 0.000 0.247 720 D C 0.193 176.517 176.300 0.040 0.000 1.162 720 D CA 0.809 54.835 54.000 0.043 0.000 0.879 720 D CB 0.364 41.180 40.800 0.027 0.000 1.163 720 D HN 0.515 nan 8.370 nan 0.000 0.472 721 N N 0.894 119.620 118.700 0.044 0.000 2.708 721 N HA -0.171 4.572 4.740 0.003 0.000 0.251 721 N C 0.385 175.919 175.510 0.040 0.000 1.123 721 N CA 1.364 54.437 53.050 0.038 0.000 0.739 721 N CB -1.095 37.408 38.487 0.026 0.000 1.113 721 N HN 0.589 nan 8.380 nan 0.000 0.561 722 G N -0.396 108.436 108.800 0.054 0.000 2.766 722 G HA2 0.700 4.662 3.960 0.003 0.000 0.288 722 G HA3 0.700 4.662 3.960 0.003 0.000 0.288 722 G C -2.872 172.076 174.900 0.079 0.000 1.408 722 G CA -0.730 44.404 45.100 0.056 0.000 0.852 722 G HN -0.043 nan 8.290 nan 0.000 0.487 723 P HA 0.218 nan 4.420 nan 0.000 0.274 723 P C -0.526 176.861 177.300 0.145 0.000 1.237 723 P CA -0.589 62.571 63.100 0.099 0.000 0.793 723 P CB 0.811 32.559 31.700 0.081 0.000 0.977 724 N N 0.246 119.054 118.700 0.180 0.000 2.415 724 N HA -0.004 4.738 4.740 0.003 0.000 0.248 724 N C -0.385 175.294 175.510 0.281 0.000 1.271 724 N CA 0.148 53.352 53.050 0.257 0.000 0.913 724 N CB -0.143 38.529 38.487 0.310 0.000 1.129 724 N HN 0.467 nan 8.380 nan 0.000 0.444 725 Y N 1.024 121.436 120.300 0.187 0.000 2.367 725 Y HA 0.285 4.837 4.550 0.003 0.000 0.342 725 Y C -0.601 175.430 175.900 0.218 0.000 0.979 725 Y CA -0.927 57.272 58.100 0.165 0.000 1.161 725 Y CB 0.391 38.934 38.460 0.138 0.000 1.155 725 Y HN 0.138 nan 8.280 nan 0.000 0.503 726 V N 7.949 127.784 119.914 -0.132 0.000 2.339 726 V HA 0.155 4.277 4.120 0.003 0.000 0.261 726 V C 0.061 175.813 176.094 -0.570 0.000 1.058 726 V CA -0.465 61.699 62.300 -0.227 0.000 0.897 726 V CB 0.498 32.286 31.823 -0.059 0.000 1.052 726 V HN 0.750 nan 8.190 nan 0.000 0.480 727 Q N 5.667 125.065 119.800 -0.671 0.000 2.279 727 Q HA 0.502 4.844 4.340 0.003 0.000 0.256 727 Q C -0.369 175.294 176.000 -0.561 0.000 0.937 727 Q CA -0.324 55.018 55.803 -0.769 0.000 0.933 727 Q CB 0.839 29.286 28.738 -0.485 0.000 1.189 727 Q HN 0.690 nan 8.270 nan 0.000 0.417 728 R N 2.722 122.824 120.500 -0.664 0.000 2.837 728 R HA 0.364 4.706 4.340 0.003 0.000 0.271 728 R C -0.240 175.688 176.300 -0.619 0.000 0.993 728 R CA -0.589 55.275 56.100 -0.394 0.000 0.931 728 R CB 1.273 31.485 30.300 -0.147 0.000 1.206 728 R HN 0.768 nan 8.270 nan 0.000 0.474 729 W N 1.019 122.331 121.300 0.020 0.000 2.870 729 W HA 0.386 5.048 4.660 0.003 0.000 0.358 729 W C -0.186 176.340 176.519 0.011 0.000 1.043 729 W CA 0.064 57.421 57.345 0.020 0.000 1.692 729 W CB 0.825 30.296 29.460 0.018 0.000 1.100 729 W HN 0.291 nan 8.180 nan 0.000 0.557 730 I N 1.864 122.532 120.570 0.163 0.000 2.656 730 I HA 0.233 4.405 4.170 0.003 0.000 0.292 730 I C -2.046 174.094 176.117 0.039 0.000 1.144 730 I CA -1.899 59.451 61.300 0.084 0.000 1.038 730 I CB 2.759 40.803 38.000 0.073 0.000 1.244 730 I HN -0.455 nan 8.210 nan 0.000 0.420 731 P HA 0.070 nan 4.420 nan 0.000 0.272 731 P C -0.597 176.715 177.300 0.019 0.000 1.223 731 P CA -0.234 62.874 63.100 0.014 0.000 0.784 731 P CB 0.637 32.348 31.700 0.019 0.000 0.923 732 E N 1.177 121.392 120.200 0.026 0.000 2.465 732 E HA -0.046 4.306 4.350 0.003 0.000 0.260 732 E C -0.542 176.090 176.600 0.052 0.000 0.980 732 E CA -0.087 56.335 56.400 0.037 0.000 0.927 732 E CB 0.152 29.872 29.700 0.034 0.000 0.934 732 E HN 0.357 nan 8.360 nan 0.000 0.459 733 D N 3.352 123.791 120.400 0.066 0.000 2.233 733 D HA 0.195 4.838 4.640 0.003 0.000 0.240 733 D C -0.301 176.061 176.300 0.104 0.000 1.074 733 D CA -0.470 53.601 54.000 0.118 0.000 0.838 733 D CB 0.817 41.714 40.800 0.161 0.000 1.124 733 D HN 0.444 nan 8.370 nan 0.000 0.475 734 R N 2.534 123.092 120.500 0.096 0.000 2.590 734 R HA 0.220 4.562 4.340 0.003 0.000 0.410 734 R C -0.524 175.810 176.300 0.057 0.000 1.010 734 R CA -0.608 55.533 56.100 0.068 0.000 1.155 734 R CB 0.493 30.822 30.300 0.047 0.000 1.455 734 R HN 0.415 nan 8.270 nan 0.000 0.567 735 D N 0.345 120.786 120.400 0.069 0.000 2.363 735 D HA 0.113 4.755 4.640 0.003 0.000 0.240 735 D C -0.113 176.184 176.300 -0.004 0.000 1.236 735 D CA 0.103 54.111 54.000 0.013 0.000 0.927 735 D CB 0.987 41.756 40.800 -0.052 0.000 1.150 735 D HN 0.027 nan 8.370 nan 0.000 0.458 736 C N 0.132 119.417 119.300 -0.026 0.000 2.802 736 C HA 0.754 5.216 4.460 0.003 0.000 0.307 736 C C -0.286 174.685 174.990 -0.031 0.000 1.222 736 C CA -0.314 58.694 59.018 -0.016 0.000 1.580 736 C CB 1.005 28.743 27.740 -0.004 0.000 2.119 736 C HN 0.767 nan 8.230 nan 0.000 0.479 737 S N 2.150 117.840 115.700 -0.016 0.000 2.615 737 S HA 0.817 5.289 4.470 0.003 0.000 0.269 737 S C -1.401 173.201 174.600 0.002 0.000 1.161 737 S CA -0.817 57.374 58.200 -0.015 0.000 0.817 737 S CB 1.181 64.366 63.200 -0.025 0.000 1.131 737 S HN 0.671 nan 8.310 nan 0.000 0.467 738 M N 1.784 121.388 119.600 0.007 0.000 2.457 738 M HA 0.557 5.039 4.480 0.003 0.000 0.300 738 M C -2.627 173.689 176.300 0.026 0.000 1.141 738 M CA -1.586 53.724 55.300 0.017 0.000 0.901 738 M CB 2.029 34.638 32.600 0.015 0.000 1.687 738 M HN 0.674 nan 8.290 nan 0.000 0.449 739 P HA 0.516 nan 4.420 nan 0.000 0.276 739 P C -2.782 174.544 177.300 0.044 0.000 1.261 739 P CA -1.027 62.102 63.100 0.049 0.000 0.800 739 P CB -0.621 31.117 31.700 0.064 0.000 1.066 740 P HA 0.296 nan 4.420 nan 0.000 0.272 740 P C -2.350 174.974 177.300 0.041 0.000 1.230 740 P CA -1.032 62.086 63.100 0.031 0.000 0.788 740 P CB -1.330 30.380 31.700 0.016 0.000 0.949 741 P HA 0.061 nan 4.420 nan 0.000 0.267 741 P C -0.407 176.944 177.300 0.084 0.000 1.200 741 P CA -0.144 62.998 63.100 0.069 0.000 0.772 741 P CB 0.139 31.871 31.700 0.052 0.000 0.855 742 F N 2.500 122.442 119.950 -0.013 0.000 2.578 742 F HA 0.218 4.747 4.527 0.003 0.000 0.376 742 F C 0.432 176.226 175.800 -0.009 0.000 1.085 742 F CA 0.770 58.759 58.000 -0.018 0.000 1.260 742 F CB 0.227 39.217 39.000 -0.016 0.000 1.095 742 F HN 0.356 nan 8.300 nan 0.000 0.573 743 S N 5.418 120.640 115.700 -0.795 0.000 2.627 743 S HA 0.674 5.146 4.470 0.003 0.000 0.283 743 S C -1.610 172.476 174.600 -0.857 0.000 1.127 743 S CA -0.776 57.051 58.200 -0.621 0.000 0.863 743 S CB 2.104 65.126 63.200 -0.296 0.000 1.121 743 S HN 0.764 nan 8.310 nan 0.000 0.479 744 Y N 0.924 120.904 120.300 -0.532 0.000 2.442 744 Y HA 0.444 4.996 4.550 0.003 0.000 0.330 744 Y C 0.310 176.124 175.900 -0.142 0.000 1.100 744 Y CA -0.685 57.214 58.100 -0.335 0.000 1.034 744 Y CB 1.815 40.170 38.460 -0.175 0.000 1.285 744 Y HN 0.864 nan 8.280 nan 0.000 0.440 745 N N 2.244 120.678 118.700 -0.443 0.000 2.414 745 N HA 0.116 4.858 4.740 0.003 0.000 0.189 745 N C 1.247 176.681 175.510 -0.126 0.000 1.039 745 N CA 1.548 54.462 53.050 -0.227 0.000 0.889 745 N CB 0.532 38.883 38.487 -0.227 0.000 1.085 745 N HN 1.126 nan 8.380 nan 0.000 0.442 746 G N 0.265 108.926 108.800 -0.232 0.000 2.213 746 G HA2 -0.239 3.723 3.960 0.003 0.000 0.236 746 G HA3 -0.239 3.723 3.960 0.003 0.000 0.236 746 G C 0.286 175.231 174.900 0.076 0.000 0.991 746 G CA 0.928 46.054 45.100 0.043 0.000 0.629 746 G HN 0.753 nan 8.290 nan 0.000 0.517 747 T N -1.146 113.405 114.554 -0.005 0.000 2.940 747 T HA 0.754 5.106 4.350 0.003 0.000 0.288 747 T C -0.548 174.140 174.700 -0.021 0.000 1.033 747 T CA -0.218 61.833 62.100 -0.082 0.000 1.033 747 T CB 2.082 70.862 68.868 -0.147 0.000 1.079 747 T HN 1.417 nan 8.240 nan 0.000 0.496 748 Y N -0.338 119.855 120.300 -0.178 0.000 2.307 748 Y HA 0.818 5.370 4.550 0.004 0.000 0.323 748 Y C -0.623 175.152 175.900 -0.208 0.000 1.100 748 Y CA -1.337 56.568 58.100 -0.325 0.000 1.140 748 Y CB 1.292 39.327 38.460 -0.708 0.000 1.159 748 Y HN 0.618 nan 8.280 nan 0.000 0.436 749 R N 2.080 122.515 120.500 -0.108 0.000 2.739 749 R HA 0.495 4.837 4.340 0.003 0.000 0.271 749 R C -3.286 173.039 176.300 0.043 0.000 1.010 749 R CA -2.242 53.816 56.100 -0.069 0.000 0.897 749 R CB 2.039 32.284 30.300 -0.091 0.000 1.236 749 R HN 0.420 nan 8.270 nan 0.000 0.466 750 P HA 0.120 nan 4.420 nan 0.000 0.268 750 P C -0.366 177.009 177.300 0.125 0.000 1.208 750 P CA -0.195 62.989 63.100 0.140 0.000 0.777 750 P CB 0.607 32.357 31.700 0.084 0.000 0.875 751 V N 0.000 120.040 119.914 0.211 0.000 2.409 751 V HA 0.000 4.122 4.120 0.003 0.000 0.244 751 V CA 0.000 62.381 62.300 0.135 0.000 1.235 751 V CB 0.000 31.934 31.823 0.186 0.000 1.184 751 V HN 0.000 nan 8.190 nan 0.000 0.556