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 3b60_1_B DATA FIRST_RESID 10 DATA SEQUENCE WQTFRRLWPT IAPFKAGLIV AGIALILNAA SDTFMLSLLK PLLDDGFGKT DATA SEQUENCE DRSVLLWMPL VVIGLMILRG ITSYISSYCI SWVSGKVVMT MRRRLFGHMM DATA SEQUENCE GMPVAFFDKQ STGTLLSRIT YDSEQVASSS SGALITVVRE GASIIGLFIM DATA SEQUENCE MFYYSWQLSI ILVVLAPIVS IAIRVVSKRF RSISKNMQNT MGQVTTSAEQ DATA SEQUENCE MLKGHKEVLI FGGQEVETKR FDKVSNKMRL QGMKMVSASS ISDPIIQLIA DATA SEQUENCE SLALAFVLYA ASFPSVMDSL TAGTITVVFS SMIALMRPLK SLTNVNAQFQ DATA SEQUENCE RGMAACQTLF AILDSEQEKD EGKRVIDRAT GDLEFRNVTF TYPGREVPAL DATA SEQUENCE RNINLKIPAG KTVALVGRSG SGKSTIASLI TRFYDIDEGH ILMDGHDLRE DATA SEQUENCE YTLASLRNQV ALVSQNVHLF NDTVANNIAY ARTEEYSREQ IEEAARMAYA DATA SEQUENCE MDFINKMDNG LDTIIGENGV LLSGGQRQRI AIARALLRDS PILILDEATS DATA SEQUENCE ALDTESERAI QAALDELQKN RTSLVIAHRL STIEQADEIV VVEDGIIVER DATA SEQUENCE GTHSELLAQH GVYAQLHKMQ FG 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 10 W HA 0.000 nan 4.660 nan 0.000 0.303 10 W C 0.000 176.705 176.519 0.310 0.000 1.175 10 W CA 0.000 57.475 57.345 0.217 0.000 1.226 10 W CB 0.000 29.536 29.460 0.126 0.000 1.126 11 Q N -0.315 118.930 119.800 -0.925 0.000 1.097 11 Q HA -0.394 3.946 4.340 0.000 0.000 0.315 11 Q C 1.234 177.032 176.000 -0.337 0.000 1.024 11 Q CA 3.182 58.493 55.803 -0.820 0.000 0.655 11 Q CB -1.503 27.042 28.738 -0.322 0.000 4.546 11 Q HN 1.088 nan 8.270 nan 0.000 0.464 12 T N -0.742 113.635 114.554 -0.295 0.000 2.594 12 T HA -0.262 4.088 4.350 0.000 0.000 0.266 12 T C 1.603 176.254 174.700 -0.082 0.000 1.070 12 T CA 2.735 64.719 62.100 -0.193 0.000 1.166 12 T CB -0.961 67.673 68.868 -0.391 0.000 0.862 12 T HN 0.408 nan 8.240 nan 0.000 0.436 13 F N 2.679 122.681 119.950 0.087 0.000 2.065 13 F HA -0.024 4.503 4.527 0.000 0.000 0.298 13 F C 2.890 178.785 175.800 0.158 0.000 1.112 13 F CA 1.449 59.529 58.000 0.133 0.000 1.212 13 F CB -1.079 38.041 39.000 0.200 0.000 0.975 13 F HN 0.114 nan 8.300 nan 0.000 0.476 14 R N 1.326 122.010 120.500 0.306 0.000 2.094 14 R HA -0.211 4.129 4.340 0.000 0.000 0.239 14 R C 2.208 178.631 176.300 0.205 0.000 1.137 14 R CA 2.003 58.219 56.100 0.192 0.000 0.943 14 R CB -0.856 29.365 30.300 -0.131 0.000 0.850 14 R HN 0.270 nan 8.270 nan 0.000 0.433 15 R N -0.129 120.432 120.500 0.103 0.000 2.249 15 R HA -0.099 4.241 4.340 0.000 0.000 0.230 15 R C 2.110 178.613 176.300 0.337 0.000 1.121 15 R CA 1.457 57.619 56.100 0.102 0.000 0.997 15 R CB -0.296 29.977 30.300 -0.044 0.000 0.867 15 R HN 0.458 nan 8.270 nan 0.000 0.465 16 L N -0.737 120.798 121.223 0.521 0.000 2.249 16 L HA -0.038 4.302 4.340 0.000 0.000 0.207 16 L C 1.800 178.863 176.870 0.321 0.000 1.090 16 L CA 0.441 55.593 54.840 0.519 0.000 0.802 16 L CB -0.245 41.919 42.059 0.174 0.000 0.947 16 L HN 0.293 nan 8.230 nan 0.000 0.453 17 W N 2.137 123.535 121.300 0.163 0.000 2.331 17 W HA -0.150 4.510 4.660 0.000 0.000 0.291 17 W C -1.009 175.568 176.519 0.096 0.000 1.214 17 W CA 1.420 58.841 57.345 0.127 0.000 1.228 17 W CB -1.479 28.058 29.460 0.128 0.000 1.135 17 W HN 0.128 nan 8.180 nan 0.000 0.537 18 P HA -0.228 nan 4.420 nan 0.000 0.215 18 P C 1.758 178.898 177.300 -0.267 0.000 1.157 18 P CA 3.573 66.548 63.100 -0.208 0.000 0.874 18 P CB -0.607 31.061 31.700 -0.054 0.000 0.790 19 T N -4.004 110.484 114.554 -0.110 0.000 3.035 19 T HA -0.006 4.344 4.350 0.000 0.000 0.268 19 T C 1.621 176.276 174.700 -0.075 0.000 1.109 19 T CA 0.701 62.755 62.100 -0.078 0.000 1.119 19 T CB -0.749 68.146 68.868 0.045 0.000 0.900 19 T HN -0.058 nan 8.240 nan 0.000 0.503 20 I N 1.327 121.821 120.570 -0.127 0.000 2.867 20 I HA 0.211 4.381 4.170 0.000 0.000 0.265 20 I C 3.032 179.010 176.117 -0.230 0.000 1.162 20 I CA 0.643 61.917 61.300 -0.043 0.000 1.471 20 I CB -1.573 36.447 38.000 0.032 0.000 1.123 20 I HN 0.315 nan 8.210 nan 0.000 0.440 21 A N 2.807 125.235 122.820 -0.653 0.000 1.863 21 A HA -0.201 4.119 4.320 0.000 0.000 0.218 21 A C -0.042 177.314 177.584 -0.379 0.000 1.233 21 A CA 2.262 53.848 52.037 -0.751 0.000 0.655 21 A CB -2.304 16.080 19.000 -1.027 0.000 0.839 21 A HN 0.249 nan 8.150 nan 0.000 0.454 22 P HA -0.129 nan 4.420 nan 0.000 0.223 22 P C 0.323 177.364 177.300 -0.431 0.000 1.140 22 P CA 1.065 63.870 63.100 -0.492 0.000 0.783 22 P CB -0.134 31.140 31.700 -0.711 0.000 0.759 23 F N -1.124 118.833 119.950 0.012 0.000 2.661 23 F HA 0.185 4.712 4.527 0.000 0.000 0.306 23 F C 1.783 177.741 175.800 0.262 0.000 1.094 23 F CA -0.480 57.627 58.000 0.179 0.000 1.254 23 F CB -0.574 38.375 39.000 -0.085 0.000 1.040 23 F HN -0.077 nan 8.300 nan 0.000 0.562 24 K N 0.475 121.028 120.400 0.254 0.000 2.360 24 K HA -0.084 4.236 4.320 0.000 0.000 0.201 24 K C 1.914 178.638 176.600 0.207 0.000 1.046 24 K CA 1.250 57.679 56.287 0.236 0.000 0.940 24 K CB -0.490 32.139 32.500 0.215 0.000 0.748 24 K HN 0.165 nan 8.250 nan 0.000 0.465 25 A N 1.730 124.662 122.820 0.188 0.000 2.019 25 A HA -0.047 4.273 4.320 0.000 0.000 0.219 25 A C 2.410 180.004 177.584 0.016 0.000 1.164 25 A CA 1.603 53.684 52.037 0.073 0.000 0.644 25 A CB -1.000 18.003 19.000 0.004 0.000 0.805 25 A HN 0.564 nan 8.150 nan 0.000 0.449 26 G N -0.500 108.357 108.800 0.096 0.000 2.396 26 G HA2 -0.064 3.896 3.960 0.000 0.000 0.214 26 G HA3 -0.064 3.896 3.960 0.000 0.000 0.214 26 G C 1.538 176.473 174.900 0.057 0.000 1.166 26 G CA 0.742 45.853 45.100 0.018 0.000 0.793 26 G HN 0.454 nan 8.290 nan 0.000 0.533 27 L N 0.139 121.446 121.223 0.140 0.000 1.989 27 L HA -0.043 4.297 4.340 0.000 0.000 0.211 27 L C 2.661 179.583 176.870 0.087 0.000 1.071 27 L CA 1.512 56.426 54.840 0.123 0.000 0.749 27 L CB -0.196 41.969 42.059 0.178 0.000 0.890 27 L HN 0.276 nan 8.230 nan 0.000 0.431 28 I N -1.093 119.531 120.570 0.089 0.000 2.179 28 I HA -0.277 3.893 4.170 0.000 0.000 0.242 28 I C 2.253 178.399 176.117 0.049 0.000 1.088 28 I CA 1.295 62.636 61.300 0.068 0.000 1.357 28 I CB 0.082 38.124 38.000 0.070 0.000 1.051 28 I HN 0.073 nan 8.210 nan 0.000 0.409 29 V N 1.339 121.276 119.914 0.039 0.000 2.568 29 V HA -0.288 3.833 4.120 0.000 0.000 0.253 29 V C 2.546 178.674 176.094 0.057 0.000 1.072 29 V CA 1.795 64.127 62.300 0.054 0.000 1.084 29 V CB -1.132 30.741 31.823 0.084 0.000 0.676 29 V HN 0.596 nan 8.190 nan 0.000 0.469 30 A N 0.185 123.019 122.820 0.024 0.000 1.975 30 A HA 0.124 4.444 4.320 0.000 0.000 0.215 30 A C 2.351 179.954 177.584 0.033 0.000 1.170 30 A CA 1.298 53.347 52.037 0.020 0.000 0.656 30 A CB -0.721 18.276 19.000 -0.005 0.000 0.821 30 A HN 0.502 nan 8.150 nan 0.000 0.449 31 G N -0.168 108.654 108.800 0.037 0.000 2.448 31 G HA2 -0.032 3.928 3.960 0.000 0.000 0.218 31 G HA3 -0.032 3.928 3.960 0.000 0.000 0.218 31 G C 1.279 176.197 174.900 0.030 0.000 1.135 31 G CA 0.914 46.035 45.100 0.034 0.000 0.784 31 G HN 0.351 nan 8.290 nan 0.000 0.543 32 I N 1.582 122.172 120.570 0.033 0.000 2.617 32 I HA 0.028 4.198 4.170 0.000 0.000 0.256 32 I C 3.052 179.186 176.117 0.027 0.000 1.167 32 I CA 0.905 62.222 61.300 0.028 0.000 1.469 32 I CB -1.004 37.013 38.000 0.029 0.000 1.098 32 I HN 0.233 nan 8.210 nan 0.000 0.436 33 A N 0.893 123.735 122.820 0.036 0.000 1.929 33 A HA -0.125 4.195 4.320 0.000 0.000 0.216 33 A C 2.409 180.010 177.584 0.030 0.000 1.176 33 A CA 0.884 52.943 52.037 0.037 0.000 0.628 33 A CB -0.647 18.385 19.000 0.054 0.000 0.816 33 A HN 0.365 nan 8.150 nan 0.000 0.444 34 L N -0.732 120.508 121.223 0.028 0.000 1.976 34 L HA -0.204 4.136 4.340 0.000 0.000 0.209 34 L C 2.405 179.287 176.870 0.020 0.000 1.071 34 L CA 1.737 56.592 54.840 0.024 0.000 0.746 34 L CB -0.374 41.698 42.059 0.022 0.000 0.890 34 L HN 0.339 nan 8.230 nan 0.000 0.432 35 I N -0.104 120.477 120.570 0.018 0.000 2.113 35 I HA -0.364 3.806 4.170 0.000 0.000 0.242 35 I C 2.316 178.441 176.117 0.014 0.000 1.064 35 I CA 1.512 62.821 61.300 0.016 0.000 1.320 35 I CB -0.615 37.394 38.000 0.014 0.000 1.028 35 I HN 0.187 nan 8.210 nan 0.000 0.406 36 L N -0.078 121.151 121.223 0.009 0.000 2.127 36 L HA -0.233 4.107 4.340 0.000 0.000 0.211 36 L C 2.061 178.931 176.870 -0.001 0.000 1.089 36 L CA 1.788 56.627 54.840 -0.002 0.000 0.757 36 L CB -1.067 40.988 42.059 -0.006 0.000 0.899 36 L HN 0.358 nan 8.230 nan 0.000 0.434 37 N N -1.343 117.364 118.700 0.012 0.000 2.354 37 N HA -0.087 4.653 4.740 0.000 0.000 0.179 37 N C 1.854 177.378 175.510 0.024 0.000 1.021 37 N CA 0.636 53.696 53.050 0.017 0.000 0.887 37 N CB 0.074 38.575 38.487 0.023 0.000 0.974 37 N HN 0.370 nan 8.380 nan 0.000 0.437 38 A N 1.216 124.051 122.820 0.025 0.000 1.902 38 A HA -0.032 4.288 4.320 0.000 0.000 0.217 38 A C 2.296 179.914 177.584 0.057 0.000 1.181 38 A CA 1.639 53.696 52.037 0.034 0.000 0.623 38 A CB -0.697 18.319 19.000 0.027 0.000 0.818 38 A HN 0.337 nan 8.150 nan 0.000 0.443 39 A N -0.890 121.961 122.820 0.051 0.000 1.933 39 A HA -0.089 4.231 4.320 0.000 0.000 0.218 39 A C 2.441 180.083 177.584 0.097 0.000 1.175 39 A CA 2.031 54.119 52.037 0.084 0.000 0.628 39 A CB -0.925 18.082 19.000 0.013 0.000 0.814 39 A HN 0.567 nan 8.150 nan 0.000 0.444 40 S N -0.371 115.341 115.700 0.020 0.000 2.442 40 S HA -0.157 4.313 4.470 0.000 0.000 0.236 40 S C 1.331 175.992 174.600 0.101 0.000 1.007 40 S CA 1.614 59.826 58.200 0.019 0.000 0.965 40 S CB -0.498 62.701 63.200 -0.002 0.000 0.773 40 S HN 0.576 nan 8.310 nan 0.000 0.504 41 D N 0.651 121.112 120.400 0.101 0.000 2.162 41 D HA -0.014 4.626 4.640 0.000 0.000 0.205 41 D C 2.371 178.741 176.300 0.117 0.000 0.964 41 D CA 1.672 55.727 54.000 0.091 0.000 0.847 41 D CB -0.982 39.853 40.800 0.057 0.000 0.988 41 D HN 0.641 nan 8.370 nan 0.000 0.480 42 T N -1.276 113.374 114.554 0.160 0.000 2.833 42 T HA -0.153 4.197 4.350 0.000 0.000 0.269 42 T C 1.881 176.643 174.700 0.104 0.000 1.054 42 T CA 0.801 62.973 62.100 0.120 0.000 1.135 42 T CB -0.578 68.368 68.868 0.131 0.000 0.869 42 T HN -0.036 nan 8.240 nan 0.000 0.466 43 F N 0.829 120.780 119.950 0.003 0.000 2.234 43 F HA 0.338 4.865 4.527 0.000 0.000 0.296 43 F C 2.489 178.290 175.800 0.002 0.000 1.089 43 F CA 0.321 58.324 58.000 0.006 0.000 1.343 43 F CB -0.505 38.513 39.000 0.029 0.000 1.040 43 F HN 0.039 nan 8.300 nan 0.000 0.498 44 M N -0.435 119.280 119.600 0.191 0.000 2.296 44 M HA -0.115 4.365 4.480 0.000 0.000 0.265 44 M C 2.287 178.617 176.300 0.050 0.000 1.064 44 M CA 1.165 56.529 55.300 0.106 0.000 1.109 44 M CB -1.213 31.439 32.600 0.085 0.000 1.396 44 M HN 0.254 nan 8.290 nan 0.000 0.430 45 L N -0.790 120.453 121.223 0.032 0.000 2.209 45 L HA -0.008 4.332 4.340 0.000 0.000 0.207 45 L C 1.307 178.151 176.870 -0.044 0.000 1.094 45 L CA 0.716 55.553 54.840 -0.006 0.000 0.790 45 L CB 0.023 42.075 42.059 -0.011 0.000 0.932 45 L HN 0.069 nan 8.230 nan 0.000 0.447 46 S N 0.751 116.408 115.700 -0.071 0.000 2.942 46 S HA 0.107 4.577 4.470 0.000 0.000 0.244 46 S C 0.874 175.384 174.600 -0.150 0.000 1.011 46 S CA 0.139 58.252 58.200 -0.146 0.000 1.102 46 S CB 0.038 63.082 63.200 -0.260 0.000 0.812 46 S HN 0.388 nan 8.310 nan 0.000 0.486 47 L N -0.844 120.325 121.223 -0.090 0.000 2.598 47 L HA 0.206 4.546 4.340 0.000 0.000 0.284 47 L C 0.912 177.756 176.870 -0.043 0.000 1.073 47 L CA 0.482 55.268 54.840 -0.090 0.000 1.361 47 L CB -0.839 41.204 42.059 -0.026 0.000 2.544 47 L HN 0.204 nan 8.230 nan 0.000 0.561 48 L N 1.045 122.259 121.223 -0.015 0.000 2.027 48 L HA -0.104 4.236 4.340 0.000 0.000 0.206 48 L C 2.481 179.345 176.870 -0.010 0.000 1.074 48 L CA 1.508 56.347 54.840 -0.001 0.000 0.745 48 L CB -1.030 41.036 42.059 0.011 0.000 0.898 48 L HN 0.299 nan 8.230 nan 0.000 0.433 49 K N 0.184 120.572 120.400 -0.021 0.000 2.062 49 K HA -0.099 4.221 4.320 0.000 0.000 0.205 49 K C -0.263 176.322 176.600 -0.026 0.000 1.051 49 K CA 0.952 57.227 56.287 -0.020 0.000 0.941 49 K CB -0.959 31.527 32.500 -0.024 0.000 0.719 49 K HN 0.170 nan 8.250 nan 0.000 0.440 50 P HA -0.092 nan 4.420 nan 0.000 0.214 50 P C 1.334 178.615 177.300 -0.032 0.000 1.162 50 P CA 1.052 64.120 63.100 -0.053 0.000 0.879 50 P CB 0.021 31.663 31.700 -0.096 0.000 0.786 51 L N -1.624 119.581 121.223 -0.031 0.000 2.633 51 L HA -0.111 4.229 4.340 0.000 0.000 0.235 51 L C 1.986 178.864 176.870 0.013 0.000 1.163 51 L CA 0.121 54.958 54.840 -0.005 0.000 0.859 51 L CB -0.556 41.506 42.059 0.005 0.000 0.973 51 L HN 0.046 nan 8.230 nan 0.000 0.451 52 L N 0.761 121.988 121.223 0.007 0.000 1.909 52 L HA -0.213 4.127 4.340 0.000 0.000 0.216 52 L C 1.977 178.861 176.870 0.023 0.000 1.097 52 L CA 2.529 57.377 54.840 0.014 0.000 0.777 52 L CB -0.455 41.608 42.059 0.007 0.000 0.887 52 L HN 0.388 nan 8.230 nan 0.000 0.432 53 D N -2.428 117.984 120.400 0.019 0.000 2.183 53 D HA -0.152 4.488 4.640 0.000 0.000 0.205 53 D C 1.437 177.762 176.300 0.041 0.000 0.962 53 D CA 0.834 54.850 54.000 0.026 0.000 0.849 53 D CB -0.506 40.303 40.800 0.016 0.000 0.978 53 D HN 0.389 nan 8.370 nan 0.000 0.488 54 D N -0.042 120.375 120.400 0.029 0.000 2.352 54 D HA 0.075 4.715 4.640 0.000 0.000 0.232 54 D C 2.082 178.411 176.300 0.048 0.000 1.055 54 D CA 0.557 54.578 54.000 0.035 0.000 0.891 54 D CB -0.265 40.538 40.800 0.004 0.000 0.897 54 D HN 0.251 nan 8.370 nan 0.000 0.529 55 G N 0.674 109.510 108.800 0.059 0.000 2.672 55 G HA2 -0.312 3.648 3.960 0.000 0.000 0.218 55 G HA3 -0.312 3.648 3.960 0.000 0.000 0.218 55 G C 0.667 175.625 174.900 0.096 0.000 1.238 55 G CA 0.279 45.420 45.100 0.069 0.000 0.791 55 G HN 0.416 nan 8.290 nan 0.000 0.606 56 F N 1.959 121.912 119.950 0.005 0.000 2.652 56 F HA 0.499 5.026 4.527 0.000 0.000 0.352 56 F C 1.138 176.941 175.800 0.004 0.000 1.259 56 F CA -0.065 57.940 58.000 0.007 0.000 1.249 56 F CB 0.222 39.226 39.000 0.006 0.000 1.628 56 F HN 0.145 nan 8.300 nan 0.000 0.654 57 G N 2.757 111.549 108.800 -0.014 0.000 4.260 57 G HA2 -0.017 3.943 3.960 0.000 0.000 0.164 57 G HA3 -0.017 3.943 3.960 0.000 0.000 0.164 57 G C 0.547 175.413 174.900 -0.057 0.000 0.955 57 G CA -0.350 44.749 45.100 -0.001 0.000 0.797 57 G HN 0.208 nan 8.290 nan 0.000 0.516 58 K N 1.542 121.899 120.400 -0.071 0.000 2.562 58 K HA 0.172 4.492 4.320 0.000 0.000 0.201 58 K C 0.823 177.386 176.600 -0.063 0.000 1.131 58 K CA 0.327 56.582 56.287 -0.055 0.000 1.059 58 K CB 0.646 33.125 32.500 -0.035 0.000 0.913 58 K HN 0.343 nan 8.250 nan 0.000 0.563 59 T N -0.358 114.111 114.554 -0.141 0.000 4.216 59 T HA 0.083 4.433 4.350 0.000 0.000 0.221 59 T C 0.279 174.912 174.700 -0.111 0.000 0.939 59 T CA 0.485 62.497 62.100 -0.146 0.000 1.218 59 T CB 0.075 68.767 68.868 -0.293 0.000 1.266 59 T HN 0.211 nan 8.240 nan 0.000 0.917 60 D N 1.954 122.330 120.400 -0.039 0.000 1.948 60 D HA -0.143 4.497 4.640 0.000 0.000 0.034 60 D C 1.671 177.989 176.300 0.031 0.000 1.448 60 D CA 0.187 54.176 54.000 -0.018 0.000 0.627 60 D CB -0.493 40.284 40.800 -0.039 0.000 3.227 60 D HN 0.457 nan 8.370 nan 0.000 0.192 61 R N 1.608 122.137 120.500 0.049 0.000 2.088 61 R HA -0.013 4.327 4.340 0.000 0.000 0.232 61 R C 2.292 178.740 176.300 0.245 0.000 1.136 61 R CA 2.393 58.560 56.100 0.112 0.000 0.926 61 R CB -1.063 29.304 30.300 0.111 0.000 0.837 61 R HN 0.128 nan 8.270 nan 0.000 0.429 62 S N 0.508 116.346 115.700 0.229 0.000 2.349 62 S HA -0.132 4.338 4.470 0.000 0.000 0.216 62 S C 2.112 176.908 174.600 0.325 0.000 1.033 62 S CA 1.477 59.857 58.200 0.300 0.000 1.021 62 S CB -0.454 62.761 63.200 0.025 0.000 0.968 62 S HN 0.240 nan 8.310 nan 0.000 0.426 63 V N 2.381 122.381 119.914 0.144 0.000 2.225 63 V HA -0.270 3.850 4.120 0.000 0.000 0.252 63 V C 2.444 178.612 176.094 0.124 0.000 1.055 63 V CA 2.567 64.932 62.300 0.108 0.000 1.032 63 V CB -0.916 30.934 31.823 0.046 0.000 0.655 63 V HN 0.604 nan 8.190 nan 0.000 0.458 64 L N -1.134 120.139 121.223 0.083 0.000 1.943 64 L HA -0.207 4.133 4.340 0.000 0.000 0.215 64 L C 2.366 179.251 176.870 0.025 0.000 1.074 64 L CA 2.043 56.911 54.840 0.045 0.000 0.759 64 L CB -0.389 41.680 42.059 0.017 0.000 0.888 64 L HN 0.393 nan 8.230 nan 0.000 0.433 65 L N -1.195 120.023 121.223 -0.008 0.000 2.349 65 L HA -0.196 4.144 4.340 0.000 0.000 0.220 65 L C 1.359 178.018 176.870 -0.351 0.000 1.130 65 L CA 1.684 56.408 54.840 -0.193 0.000 0.791 65 L CB -0.544 41.343 42.059 -0.287 0.000 0.918 65 L HN 0.339 nan 8.230 nan 0.000 0.444 66 W N -2.244 119.060 121.300 0.006 0.000 3.220 66 W HA 0.202 4.862 4.660 0.000 0.000 0.328 66 W C 2.093 178.622 176.519 0.016 0.000 1.205 66 W CA -0.037 57.317 57.345 0.015 0.000 1.773 66 W CB -0.208 29.262 29.460 0.017 0.000 1.086 66 W HN 0.064 nan 8.180 nan 0.000 0.622 67 M N 1.800 121.487 119.600 0.144 0.000 2.099 67 M HA -0.054 4.426 4.480 0.000 0.000 0.262 67 M C -1.084 175.252 176.300 0.060 0.000 1.067 67 M CA 1.918 57.275 55.300 0.095 0.000 1.124 67 M CB -1.161 31.474 32.600 0.059 0.000 1.353 67 M HN -0.255 nan 8.290 nan 0.000 0.410 68 P HA -0.067 nan 4.420 nan 0.000 0.234 68 P C 1.143 178.447 177.300 0.006 0.000 1.167 68 P CA 0.815 63.913 63.100 -0.004 0.000 0.763 68 P CB -0.045 31.631 31.700 -0.040 0.000 0.835 69 L N -1.505 119.742 121.223 0.040 0.000 2.529 69 L HA 0.092 4.432 4.340 0.000 0.000 0.223 69 L C 1.900 178.843 176.870 0.121 0.000 1.113 69 L CA 0.935 55.824 54.840 0.082 0.000 0.861 69 L CB -0.674 41.475 42.059 0.150 0.000 1.012 69 L HN -0.178 nan 8.230 nan 0.000 0.461 70 V N -1.627 118.357 119.914 0.116 0.000 2.379 70 V HA -0.127 3.993 4.120 0.000 0.000 0.243 70 V C 2.221 178.352 176.094 0.061 0.000 1.035 70 V CA 1.592 63.953 62.300 0.101 0.000 1.035 70 V CB 0.374 32.255 31.823 0.096 0.000 0.673 70 V HN 0.200 nan 8.190 nan 0.000 0.457 71 V N 0.281 120.222 119.914 0.045 0.000 2.490 71 V HA -0.187 3.933 4.120 0.000 0.000 0.250 71 V C 2.256 178.360 176.094 0.016 0.000 1.061 71 V CA 1.979 64.294 62.300 0.025 0.000 1.064 71 V CB -0.513 31.320 31.823 0.016 0.000 0.670 71 V HN 0.466 nan 8.190 nan 0.000 0.461 72 I N 1.049 121.629 120.570 0.015 0.000 2.400 72 I HA 0.070 4.240 4.170 0.000 0.000 0.248 72 I C 2.589 178.707 176.117 0.002 0.000 1.109 72 I CA 1.308 62.609 61.300 0.002 0.000 1.425 72 I CB -1.556 36.441 38.000 -0.006 0.000 1.094 72 I HN 0.224 nan 8.210 nan 0.000 0.425 73 G N 0.717 109.530 108.800 0.021 0.000 2.476 73 G HA2 -0.256 3.705 3.960 0.000 0.000 0.218 73 G HA3 -0.256 3.705 3.960 0.000 0.000 0.218 73 G C 1.791 176.692 174.900 0.001 0.000 1.164 73 G CA 1.131 46.237 45.100 0.010 0.000 0.768 73 G HN 0.354 nan 8.290 nan 0.000 0.560 74 L N -0.559 120.676 121.223 0.020 0.000 1.982 74 L HA 0.002 4.342 4.340 0.000 0.000 0.206 74 L C 3.002 179.876 176.870 0.007 0.000 1.078 74 L CA 1.013 55.863 54.840 0.017 0.000 0.749 74 L CB -0.216 41.859 42.059 0.027 0.000 0.894 74 L HN 0.094 nan 8.230 nan 0.000 0.436 75 M N 0.055 119.658 119.600 0.005 0.000 2.226 75 M HA -0.315 4.165 4.480 0.000 0.000 0.257 75 M C 2.299 178.595 176.300 -0.007 0.000 1.070 75 M CA 1.934 57.233 55.300 -0.003 0.000 1.087 75 M CB -1.449 31.146 32.600 -0.008 0.000 1.278 75 M HN 0.248 nan 8.290 nan 0.000 0.426 76 I N 0.172 120.734 120.570 -0.013 0.000 2.032 76 I HA -0.322 3.848 4.170 0.000 0.000 0.231 76 I C 2.627 178.734 176.117 -0.017 0.000 1.035 76 I CA 1.647 62.936 61.300 -0.019 0.000 1.312 76 I CB -1.442 36.540 38.000 -0.030 0.000 1.041 76 I HN 0.318 nan 8.210 nan 0.000 0.390 77 L N -0.370 120.836 121.223 -0.029 0.000 1.961 77 L HA -0.256 4.084 4.340 0.000 0.000 0.210 77 L C 2.768 179.635 176.870 -0.004 0.000 1.072 77 L CA 1.494 56.316 54.840 -0.030 0.000 0.749 77 L CB -0.770 41.252 42.059 -0.062 0.000 0.889 77 L HN 0.219 nan 8.230 nan 0.000 0.432 78 R N 0.502 121.004 120.500 0.003 0.000 2.113 78 R HA -0.159 4.181 4.340 0.000 0.000 0.231 78 R C 2.163 178.482 176.300 0.031 0.000 1.129 78 R CA 2.060 58.171 56.100 0.019 0.000 0.915 78 R CB -1.340 28.973 30.300 0.021 0.000 0.837 78 R HN 0.380 nan 8.270 nan 0.000 0.430 79 G N 0.214 109.030 108.800 0.026 0.000 2.514 79 G HA2 -0.275 3.685 3.960 0.000 0.000 0.217 79 G HA3 -0.275 3.685 3.960 0.000 0.000 0.217 79 G C 1.430 176.368 174.900 0.064 0.000 1.198 79 G CA 1.238 46.358 45.100 0.033 0.000 0.780 79 G HN 0.328 nan 8.290 nan 0.000 0.565 80 I N 1.050 121.650 120.570 0.051 0.000 2.361 80 I HA -0.095 4.075 4.170 0.000 0.000 0.251 80 I C 2.917 179.100 176.117 0.110 0.000 1.133 80 I CA 1.472 62.826 61.300 0.089 0.000 1.413 80 I CB -0.335 37.690 38.000 0.041 0.000 1.073 80 I HN 0.095 nan 8.210 nan 0.000 0.424 81 T N -1.351 113.244 114.554 0.068 0.000 2.942 81 T HA -0.116 4.234 4.350 0.000 0.000 0.265 81 T C 2.135 176.883 174.700 0.079 0.000 1.062 81 T CA 1.414 63.549 62.100 0.059 0.000 1.139 81 T CB -0.144 68.744 68.868 0.033 0.000 0.883 81 T HN 0.318 nan 8.240 nan 0.000 0.468 82 S N 0.401 116.158 115.700 0.094 0.000 2.368 82 S HA -0.122 4.348 4.470 0.000 0.000 0.224 82 S C 1.778 176.468 174.600 0.149 0.000 1.029 82 S CA 0.811 59.072 58.200 0.101 0.000 0.988 82 S CB -0.418 62.837 63.200 0.092 0.000 0.838 82 S HN 0.643 nan 8.310 nan 0.000 0.462 83 Y N 1.008 121.336 120.300 0.046 0.000 2.583 83 Y HA 0.246 4.796 4.550 0.000 0.000 0.293 83 Y C 1.450 177.426 175.900 0.127 0.000 1.157 83 Y CA 0.364 58.504 58.100 0.067 0.000 1.315 83 Y CB -0.037 38.438 38.460 0.027 0.000 1.021 83 Y HN 0.258 nan 8.280 nan 0.000 0.536 84 I N -1.255 119.334 120.570 0.032 0.000 2.585 84 I HA -0.124 4.046 4.170 0.000 0.000 0.254 84 I C 2.213 178.443 176.117 0.188 0.000 1.129 84 I CA 0.830 62.181 61.300 0.083 0.000 1.455 84 I CB -1.161 36.880 38.000 0.068 0.000 1.111 84 I HN 0.146 nan 8.210 nan 0.000 0.433 85 S N 1.052 116.800 115.700 0.081 0.000 2.335 85 S HA -0.112 4.358 4.470 0.000 0.000 0.216 85 S C 2.237 176.838 174.600 0.001 0.000 1.032 85 S CA 1.656 59.879 58.200 0.039 0.000 1.000 85 S CB -0.209 63.016 63.200 0.040 0.000 0.928 85 S HN 0.362 nan 8.310 nan 0.000 0.434 86 S N 1.178 116.891 115.700 0.022 0.000 2.365 86 S HA -0.190 4.280 4.470 0.000 0.000 0.225 86 S C 1.645 176.221 174.600 -0.040 0.000 1.039 86 S CA 1.798 60.006 58.200 0.013 0.000 1.033 86 S CB -0.748 62.492 63.200 0.066 0.000 0.887 86 S HN 0.629 nan 8.310 nan 0.000 0.447 87 Y N 1.543 121.720 120.300 -0.206 0.000 1.956 87 Y HA -0.343 4.207 4.550 0.000 0.000 0.258 87 Y C 2.588 178.415 175.900 -0.121 0.000 1.152 87 Y CA 1.427 59.351 58.100 -0.294 0.000 1.093 87 Y CB -1.265 36.835 38.460 -0.599 0.000 0.945 87 Y HN 0.280 nan 8.280 nan 0.000 0.488 88 C N 0.415 118.943 119.300 -1.286 0.000 2.448 88 C HA -0.015 4.445 4.460 0.000 0.000 0.280 88 C C 2.863 177.690 174.990 -0.273 0.000 1.398 88 C CA 0.720 59.123 59.018 -1.024 0.000 1.774 88 C CB -1.883 25.350 27.740 -0.846 0.000 1.888 88 C HN 0.789 nan 8.230 nan 0.000 0.519 89 I N 0.035 120.509 120.570 -0.161 0.000 2.235 89 I HA -0.114 4.056 4.170 0.000 0.000 0.241 89 I C 2.418 178.518 176.117 -0.028 0.000 1.085 89 I CA 1.437 62.710 61.300 -0.046 0.000 1.378 89 I CB -0.177 37.807 38.000 -0.027 0.000 1.076 89 I HN 0.130 nan 8.210 nan 0.000 0.415 90 S N 0.405 116.084 115.700 -0.035 0.000 2.383 90 S HA -0.278 4.192 4.470 0.000 0.000 0.229 90 S C 1.423 176.002 174.600 -0.034 0.000 1.030 90 S CA 1.909 60.090 58.200 -0.033 0.000 1.002 90 S CB -0.635 62.558 63.200 -0.011 0.000 0.829 90 S HN 0.735 nan 8.310 nan 0.000 0.467 91 W N 1.782 122.953 121.300 -0.215 0.000 2.354 91 W HA -0.152 4.508 4.660 0.000 0.000 0.315 91 W C 2.252 178.607 176.519 -0.272 0.000 1.206 91 W CA 1.280 58.486 57.345 -0.232 0.000 1.290 91 W CB -0.791 28.510 29.460 -0.265 0.000 1.152 91 W HN 0.062 nan 8.180 nan 0.000 0.489 92 V N 1.309 121.259 119.914 0.060 0.000 2.392 92 V HA -0.313 3.807 4.120 0.000 0.000 0.249 92 V C 2.448 178.289 176.094 -0.422 0.000 1.059 92 V CA 3.091 65.268 62.300 -0.204 0.000 1.051 92 V CB -1.024 30.875 31.823 0.125 0.000 0.658 92 V HN 0.449 nan 8.190 nan 0.000 0.455 93 S N 0.019 115.551 115.700 -0.280 0.000 2.325 93 S HA 0.012 4.482 4.470 0.000 0.000 0.214 93 S C 2.234 176.618 174.600 -0.360 0.000 1.031 93 S CA 1.167 59.211 58.200 -0.261 0.000 0.972 93 S CB -1.328 61.775 63.200 -0.161 0.000 0.908 93 S HN 0.695 nan 8.310 nan 0.000 0.453 94 G N 2.029 110.621 108.800 -0.348 0.000 2.545 94 G HA2 -0.291 3.669 3.960 0.000 0.000 0.222 94 G HA3 -0.291 3.669 3.960 0.000 0.000 0.222 94 G C 1.570 176.182 174.900 -0.481 0.000 1.126 94 G CA 1.503 46.394 45.100 -0.348 0.000 0.754 94 G HN 0.502 nan 8.290 nan 0.000 0.583 95 K N -0.355 119.555 120.400 -0.816 0.000 2.044 95 K HA 0.164 4.485 4.320 0.000 0.000 0.204 95 K C 2.511 178.634 176.600 -0.794 0.000 1.049 95 K CA 0.591 56.250 56.287 -1.046 0.000 0.945 95 K CB -1.007 30.239 32.500 -2.090 0.000 0.724 95 K HN 0.133 nan 8.250 nan 0.000 0.440 96 V N 0.489 119.961 119.914 -0.738 0.000 2.490 96 V HA -0.180 3.940 4.120 0.000 0.000 0.250 96 V C 1.946 177.943 176.094 -0.162 0.000 1.061 96 V CA 1.854 64.000 62.300 -0.256 0.000 1.064 96 V CB -0.084 31.657 31.823 -0.137 0.000 0.670 96 V HN 0.187 nan 8.190 nan 0.000 0.461 97 V N -0.218 119.567 119.914 -0.214 0.000 2.239 97 V HA -0.221 3.899 4.120 0.000 0.000 0.242 97 V C 2.393 178.413 176.094 -0.123 0.000 1.038 97 V CA 2.670 64.880 62.300 -0.151 0.000 1.002 97 V CB -0.225 31.500 31.823 -0.163 0.000 0.641 97 V HN 0.549 nan 8.190 nan 0.000 0.449 98 M N 0.255 119.761 119.600 -0.157 0.000 2.267 98 M HA -0.105 4.375 4.480 0.000 0.000 0.263 98 M C 2.222 178.473 176.300 -0.081 0.000 1.063 98 M CA 2.287 57.514 55.300 -0.121 0.000 1.090 98 M CB -1.141 31.371 32.600 -0.146 0.000 1.392 98 M HN 0.511 nan 8.290 nan 0.000 0.422 99 T N -1.147 113.363 114.554 -0.074 0.000 3.023 99 T HA -0.056 4.294 4.350 0.000 0.000 0.266 99 T C 1.621 176.335 174.700 0.024 0.000 1.093 99 T CA 0.929 63.033 62.100 0.005 0.000 1.129 99 T CB -0.005 68.926 68.868 0.105 0.000 0.899 99 T HN 0.272 nan 8.240 nan 0.000 0.491 100 M N 2.257 121.860 119.600 0.006 0.000 2.062 100 M HA 0.033 4.513 4.480 0.000 0.000 0.259 100 M C 2.298 178.627 176.300 0.047 0.000 1.076 100 M CA 1.736 57.054 55.300 0.031 0.000 1.122 100 M CB -0.421 32.183 32.600 0.007 0.000 1.312 100 M HN 0.211 nan 8.290 nan 0.000 0.412 101 R N -0.245 120.272 120.500 0.027 0.000 2.159 101 R HA -0.203 4.137 4.340 0.000 0.000 0.237 101 R C 2.305 178.658 176.300 0.088 0.000 1.131 101 R CA 1.817 57.952 56.100 0.057 0.000 0.982 101 R CB -1.091 29.221 30.300 0.022 0.000 0.868 101 R HN 0.486 nan 8.270 nan 0.000 0.453 102 R N 1.286 121.813 120.500 0.046 0.000 2.070 102 R HA -0.105 4.235 4.340 0.000 0.000 0.233 102 R C 2.488 178.873 176.300 0.143 0.000 1.137 102 R CA 1.644 57.773 56.100 0.049 0.000 0.945 102 R CB -0.236 30.068 30.300 0.007 0.000 0.845 102 R HN 0.240 nan 8.270 nan 0.000 0.430 103 R N 0.321 120.888 120.500 0.112 0.000 2.105 103 R HA -0.101 4.239 4.340 0.000 0.000 0.239 103 R C 2.251 178.655 176.300 0.174 0.000 1.135 103 R CA 1.490 57.662 56.100 0.121 0.000 0.967 103 R CB -0.186 30.157 30.300 0.071 0.000 0.861 103 R HN 0.285 nan 8.270 nan 0.000 0.442 104 L N -0.600 120.735 121.223 0.186 0.000 1.988 104 L HA -0.147 4.193 4.340 0.000 0.000 0.207 104 L C 2.212 179.242 176.870 0.267 0.000 1.071 104 L CA 1.260 56.235 54.840 0.225 0.000 0.744 104 L CB -0.787 41.384 42.059 0.188 0.000 0.893 104 L HN 0.177 nan 8.230 nan 0.000 0.433 105 F N 1.307 121.322 119.950 0.107 0.000 2.050 105 F HA -0.344 4.183 4.527 0.000 0.000 0.294 105 F C 2.244 178.110 175.800 0.110 0.000 1.113 105 F CA 2.146 60.204 58.000 0.098 0.000 1.225 105 F CB -0.942 38.096 39.000 0.064 0.000 0.953 105 F HN 0.051 nan 8.300 nan 0.000 0.501 106 G N -1.605 107.387 108.800 0.321 0.000 2.491 106 G HA2 -0.413 3.547 3.960 0.000 0.000 0.218 106 G HA3 -0.413 3.547 3.960 0.000 0.000 0.218 106 G C 1.439 176.386 174.900 0.078 0.000 1.180 106 G CA 1.308 46.501 45.100 0.155 0.000 0.774 106 G HN 0.648 nan 8.290 nan 0.000 0.562 107 H N 0.219 119.321 119.070 0.053 0.000 2.352 107 H HA -0.031 4.525 4.556 0.000 0.000 0.299 107 H C 2.622 177.970 175.328 0.035 0.000 1.097 107 H CA 1.908 57.973 56.048 0.028 0.000 1.311 107 H CB -0.184 29.595 29.762 0.028 0.000 1.377 107 H HN 0.186 nan 8.280 nan 0.000 0.504 108 M N 0.157 119.718 119.600 -0.066 0.000 2.110 108 M HA -0.238 4.242 4.480 0.000 0.000 0.257 108 M C 2.501 178.867 176.300 0.109 0.000 1.071 108 M CA 2.291 57.578 55.300 -0.022 0.000 1.096 108 M CB -0.869 31.764 32.600 0.056 0.000 1.300 108 M HN 0.647 nan 8.290 nan 0.000 0.411 109 M N -1.251 118.355 119.600 0.010 0.000 2.630 109 M HA 0.117 4.597 4.480 0.000 0.000 0.254 109 M C 1.397 177.709 176.300 0.020 0.000 1.092 109 M CA 1.535 56.855 55.300 0.033 0.000 1.087 109 M CB -0.798 31.701 32.600 -0.168 0.000 1.453 109 M HN 0.146 nan 8.290 nan 0.000 0.509 110 G N 1.045 109.817 108.800 -0.046 0.000 3.181 110 G HA2 0.198 4.158 3.960 0.000 0.000 0.219 110 G HA3 0.198 4.158 3.960 0.000 0.000 0.219 110 G C 0.639 175.477 174.900 -0.104 0.000 1.182 110 G CA -0.286 44.780 45.100 -0.057 0.000 0.791 110 G HN 0.380 nan 8.290 nan 0.000 0.537 111 M N 1.285 120.861 119.600 -0.040 0.000 3.462 111 M HA 0.255 4.735 4.480 0.000 0.000 0.219 111 M C -2.643 173.765 176.300 0.180 0.000 1.207 111 M CA -2.190 53.069 55.300 -0.068 0.000 1.284 111 M CB 0.159 32.650 32.600 -0.182 0.000 1.160 111 M HN -0.149 nan 8.290 nan 0.000 0.598 112 P HA 0.028 nan 4.420 nan 0.000 0.270 112 P C 0.680 178.052 177.300 0.120 0.000 1.216 112 P CA 0.328 63.499 63.100 0.118 0.000 0.788 112 P CB 0.843 32.564 31.700 0.035 0.000 0.883 113 V N 0.240 120.195 119.914 0.067 0.000 3.464 113 V HA -0.262 3.858 4.120 0.000 0.000 0.494 113 V C 1.406 177.534 176.094 0.057 0.000 0.698 113 V CA 0.679 62.920 62.300 -0.098 0.000 2.220 113 V CB -1.527 30.250 31.823 -0.076 0.000 2.347 113 V HN 0.728 nan 8.190 nan 0.000 0.485 114 A N 0.049 122.894 122.820 0.042 0.000 2.285 114 A HA -0.102 4.218 4.320 0.000 0.000 0.214 114 A C 1.405 179.130 177.584 0.235 0.000 1.188 114 A CA 2.293 54.462 52.037 0.220 0.000 0.707 114 A CB -0.807 18.395 19.000 0.336 0.000 0.771 114 A HN 1.352 nan 8.150 nan 0.000 0.488 115 F N -0.381 119.592 119.950 0.037 0.000 2.026 115 F HA -0.249 4.278 4.527 0.000 0.000 0.296 115 F C 1.822 177.532 175.800 -0.149 0.000 1.133 115 F CA 1.956 59.890 58.000 -0.109 0.000 1.188 115 F CB -0.223 38.621 39.000 -0.259 0.000 0.968 115 F HN 0.304 nan 8.300 nan 0.000 0.476 116 F N 1.066 120.991 119.950 -0.042 0.000 2.373 116 F HA -0.207 4.320 4.527 0.000 0.000 0.300 116 F C 1.766 177.503 175.800 -0.105 0.000 1.080 116 F CA 1.320 59.226 58.000 -0.156 0.000 1.417 116 F CB -0.747 38.212 39.000 -0.068 0.000 1.070 116 F HN 0.087 nan 8.300 nan 0.000 0.546 117 D N -0.102 120.370 120.400 0.119 0.000 2.091 117 D HA -0.110 4.530 4.640 0.000 0.000 0.199 117 D C 2.191 178.501 176.300 0.016 0.000 0.980 117 D CA 0.943 54.995 54.000 0.086 0.000 0.831 117 D CB -0.129 40.761 40.800 0.150 0.000 0.987 117 D HN -0.075 nan 8.370 nan 0.000 0.460 118 K N 0.954 121.352 120.400 -0.004 0.000 1.965 118 K HA -0.074 4.246 4.320 0.000 0.000 0.220 118 K C 1.232 177.781 176.600 -0.086 0.000 1.046 118 K CA 0.977 57.245 56.287 -0.032 0.000 0.974 118 K CB -1.062 31.430 32.500 -0.012 0.000 0.738 118 K HN 0.357 nan 8.250 nan 0.000 0.444 119 Q N 1.473 121.166 119.800 -0.178 0.000 2.306 119 Q HA 0.119 4.459 4.340 0.000 0.000 0.241 119 Q C -0.166 175.739 176.000 -0.159 0.000 0.948 119 Q CA -0.058 55.641 55.803 -0.173 0.000 0.886 119 Q CB 1.112 29.718 28.738 -0.219 0.000 1.227 119 Q HN 0.081 nan 8.270 nan 0.000 0.457 120 S N 1.032 116.671 115.700 -0.102 0.000 2.552 120 S HA -0.035 4.435 4.470 0.000 0.000 0.289 120 S C 1.395 175.948 174.600 -0.078 0.000 1.304 120 S CA 0.392 58.551 58.200 -0.069 0.000 1.063 120 S CB 0.230 63.404 63.200 -0.044 0.000 0.848 120 S HN 0.759 nan 8.310 nan 0.000 0.499 121 T N 3.133 117.662 114.554 -0.041 0.000 2.803 121 T HA -0.084 4.266 4.350 0.000 0.000 0.269 121 T C 2.003 176.695 174.700 -0.012 0.000 1.052 121 T CA 1.517 63.609 62.100 -0.013 0.000 1.136 121 T CB -1.146 67.738 68.868 0.027 0.000 0.864 121 T HN 0.759 nan 8.240 nan 0.000 0.467 122 G N 1.871 110.664 108.800 -0.012 0.000 2.476 122 G HA2 -0.291 3.669 3.960 0.000 0.000 0.218 122 G HA3 -0.291 3.669 3.960 0.000 0.000 0.218 122 G C 1.925 176.819 174.900 -0.010 0.000 1.164 122 G CA 2.082 47.181 45.100 -0.001 0.000 0.768 122 G HN 0.735 nan 8.290 nan 0.000 0.560 123 T N 0.034 114.567 114.554 -0.036 0.000 2.720 123 T HA -0.051 4.299 4.350 0.000 0.000 0.268 123 T C 2.434 177.116 174.700 -0.030 0.000 1.037 123 T CA 1.385 63.460 62.100 -0.042 0.000 1.144 123 T CB -0.364 68.464 68.868 -0.067 0.000 0.864 123 T HN 0.218 nan 8.240 nan 0.000 0.444 124 L N 0.059 121.251 121.223 -0.051 0.000 1.994 124 L HA 0.042 4.382 4.340 0.000 0.000 0.208 124 L C 2.742 179.634 176.870 0.036 0.000 1.071 124 L CA 1.134 55.958 54.840 -0.027 0.000 0.745 124 L CB -0.913 41.104 42.059 -0.070 0.000 0.892 124 L HN 0.224 nan 8.230 nan 0.000 0.431 125 L N -0.095 121.153 121.223 0.043 0.000 1.997 125 L HA -0.312 4.028 4.340 0.000 0.000 0.216 125 L C 2.853 179.767 176.870 0.073 0.000 1.074 125 L CA 2.214 57.096 54.840 0.069 0.000 0.763 125 L CB -0.728 41.366 42.059 0.057 0.000 0.890 125 L HN 0.271 nan 8.230 nan 0.000 0.434 126 S N -1.222 114.511 115.700 0.055 0.000 2.359 126 S HA -0.306 4.164 4.470 0.000 0.000 0.222 126 S C 2.155 176.813 174.600 0.097 0.000 1.038 126 S CA 1.637 59.877 58.200 0.067 0.000 1.051 126 S CB -0.310 62.903 63.200 0.021 0.000 0.944 126 S HN 0.449 nan 8.310 nan 0.000 0.433 127 R N 0.968 121.514 120.500 0.077 0.000 2.159 127 R HA -0.114 4.226 4.340 0.000 0.000 0.249 127 R C 2.129 178.492 176.300 0.105 0.000 1.136 127 R CA 2.155 58.310 56.100 0.092 0.000 0.951 127 R CB -1.219 29.130 30.300 0.080 0.000 0.876 127 R HN 0.585 nan 8.270 nan 0.000 0.440 128 I N -0.356 120.278 120.570 0.107 0.000 2.039 128 I HA -0.389 3.781 4.170 0.000 0.000 0.233 128 I C 2.316 178.482 176.117 0.080 0.000 1.040 128 I CA 2.201 63.564 61.300 0.106 0.000 1.308 128 I CB -0.967 37.113 38.000 0.133 0.000 1.035 128 I HN 0.425 nan 8.210 nan 0.000 0.392 129 T N -0.475 114.130 114.554 0.085 0.000 2.469 129 T HA -0.374 3.976 4.350 0.000 0.000 0.254 129 T C 1.817 176.557 174.700 0.066 0.000 1.214 129 T CA 2.130 64.272 62.100 0.070 0.000 1.202 129 T CB -1.270 67.652 68.868 0.090 0.000 0.864 129 T HN 0.367 nan 8.240 nan 0.000 0.408 130 Y N 2.716 123.018 120.300 0.003 0.000 2.133 130 Y HA -0.072 4.478 4.550 0.000 0.000 0.287 130 Y C 2.313 178.204 175.900 -0.015 0.000 1.134 130 Y CA 2.002 60.098 58.100 -0.007 0.000 1.133 130 Y CB -0.669 37.788 38.460 -0.004 0.000 0.987 130 Y HN 0.253 nan 8.280 nan 0.000 0.502 131 D N -0.767 119.768 120.400 0.225 0.000 2.123 131 D HA -0.172 4.468 4.640 0.000 0.000 0.196 131 D C 2.355 178.649 176.300 -0.010 0.000 0.992 131 D CA 1.745 55.820 54.000 0.125 0.000 0.833 131 D CB -0.456 40.413 40.800 0.114 0.000 0.954 131 D HN 0.288 nan 8.370 nan 0.000 0.455 132 S N 0.578 116.269 115.700 -0.015 0.000 2.356 132 S HA -0.145 4.325 4.470 0.000 0.000 0.223 132 S C 1.758 176.290 174.600 -0.113 0.000 1.032 132 S CA 0.840 59.010 58.200 -0.051 0.000 1.005 132 S CB -0.166 63.018 63.200 -0.027 0.000 0.867 132 S HN 0.222 nan 8.310 nan 0.000 0.449 133 E N 1.262 121.371 120.200 -0.153 0.000 2.114 133 E HA -0.186 4.164 4.350 0.000 0.000 0.199 133 E C 2.298 178.763 176.600 -0.225 0.000 1.008 133 E CA 1.125 57.401 56.400 -0.206 0.000 0.810 133 E CB -0.363 29.168 29.700 -0.282 0.000 0.739 133 E HN 0.487 nan 8.360 nan 0.000 0.456 134 Q N 0.317 119.963 119.800 -0.257 0.000 1.948 134 Q HA -0.118 4.222 4.340 0.000 0.000 0.205 134 Q C 2.412 178.307 176.000 -0.175 0.000 0.992 134 Q CA 1.043 56.720 55.803 -0.210 0.000 0.849 134 Q CB -1.204 27.445 28.738 -0.149 0.000 0.918 134 Q HN 0.241 nan 8.270 nan 0.000 0.421 135 V N 1.326 121.140 119.914 -0.167 0.000 2.660 135 V HA -0.292 3.828 4.120 0.000 0.000 0.257 135 V C 2.071 178.056 176.094 -0.182 0.000 1.088 135 V CA 1.871 64.054 62.300 -0.194 0.000 1.106 135 V CB -0.793 30.914 31.823 -0.194 0.000 0.686 135 V HN 0.404 nan 8.190 nan 0.000 0.481 136 A N -0.705 122.019 122.820 -0.161 0.000 1.828 136 A HA -0.223 4.097 4.320 0.000 0.000 0.215 136 A C 2.563 180.063 177.584 -0.141 0.000 1.203 136 A CA 2.312 54.258 52.037 -0.152 0.000 0.614 136 A CB -1.379 17.529 19.000 -0.154 0.000 0.844 136 A HN 0.618 nan 8.150 nan 0.000 0.445 137 S N -0.455 115.163 115.700 -0.136 0.000 2.380 137 S HA -0.224 4.246 4.470 0.000 0.000 0.229 137 S C 2.336 176.874 174.600 -0.104 0.000 1.043 137 S CA 2.315 60.450 58.200 -0.109 0.000 1.038 137 S CB -0.648 62.489 63.200 -0.105 0.000 0.872 137 S HN 0.761 nan 8.310 nan 0.000 0.456 138 S N 0.448 116.054 115.700 -0.157 0.000 2.365 138 S HA -0.166 4.304 4.470 0.000 0.000 0.221 138 S C 2.131 176.630 174.600 -0.168 0.000 1.037 138 S CA 2.337 60.400 58.200 -0.227 0.000 1.060 138 S CB -1.346 61.602 63.200 -0.421 0.000 0.974 138 S HN 0.708 nan 8.310 nan 0.000 0.427 139 S N 0.950 116.555 115.700 -0.158 0.000 2.369 139 S HA -0.193 4.277 4.470 0.000 0.000 0.225 139 S C 2.144 176.751 174.600 0.011 0.000 1.043 139 S CA 2.653 60.820 58.200 -0.055 0.000 1.074 139 S CB -1.264 61.906 63.200 -0.050 0.000 0.962 139 S HN 0.895 nan 8.310 nan 0.000 0.433 140 S N 0.901 116.589 115.700 -0.020 0.000 2.436 140 S HA 0.088 4.558 4.470 0.000 0.000 0.208 140 S C 2.201 176.816 174.600 0.025 0.000 1.063 140 S CA 1.237 59.438 58.200 0.000 0.000 1.120 140 S CB -1.793 61.385 63.200 -0.035 0.000 1.053 140 S HN 0.701 nan 8.310 nan 0.000 0.407 141 G N 1.314 110.120 108.800 0.009 0.000 2.475 141 G HA2 0.003 3.963 3.960 0.000 0.000 0.220 141 G HA3 0.003 3.963 3.960 0.000 0.000 0.220 141 G C 1.598 176.530 174.900 0.054 0.000 1.125 141 G CA 1.230 46.343 45.100 0.022 0.000 0.755 141 G HN 0.902 nan 8.290 nan 0.000 0.565 142 A N 0.289 123.166 122.820 0.094 0.000 1.898 142 A HA 0.270 4.591 4.320 0.000 0.000 0.214 142 A C 2.396 180.098 177.584 0.197 0.000 1.183 142 A CA 0.850 53.001 52.037 0.190 0.000 0.622 142 A CB -0.315 18.918 19.000 0.388 0.000 0.824 142 A HN 0.319 nan 8.150 nan 0.000 0.444 143 L N 0.323 121.667 121.223 0.203 0.000 2.079 143 L HA -0.209 4.131 4.340 0.000 0.000 0.210 143 L C 2.642 179.566 176.870 0.090 0.000 1.081 143 L CA 1.707 56.647 54.840 0.167 0.000 0.752 143 L CB -0.703 41.459 42.059 0.172 0.000 0.896 143 L HN 0.693 nan 8.230 nan 0.000 0.433 144 I N -2.071 118.543 120.570 0.075 0.000 2.179 144 I HA -0.246 3.924 4.170 0.000 0.000 0.242 144 I C 2.556 178.692 176.117 0.032 0.000 1.088 144 I CA 2.019 63.348 61.300 0.048 0.000 1.357 144 I CB -0.951 37.072 38.000 0.039 0.000 1.051 144 I HN 0.247 nan 8.210 nan 0.000 0.409 145 T N -1.388 113.184 114.554 0.030 0.000 3.014 145 T HA 0.036 4.386 4.350 0.000 0.000 0.263 145 T C 1.921 176.615 174.700 -0.009 0.000 1.078 145 T CA 0.885 62.991 62.100 0.011 0.000 1.135 145 T CB -0.453 68.421 68.868 0.011 0.000 0.895 145 T HN 0.259 nan 8.240 nan 0.000 0.480 146 V N 1.065 120.967 119.914 -0.019 0.000 2.970 146 V HA 0.022 4.142 4.120 0.000 0.000 0.260 146 V C 2.197 178.257 176.094 -0.057 0.000 1.100 146 V CA 1.135 63.388 62.300 -0.078 0.000 1.122 146 V CB -0.240 31.481 31.823 -0.171 0.000 0.721 146 V HN 0.501 nan 8.190 nan 0.000 0.483 147 V N -0.329 119.573 119.914 -0.021 0.000 3.431 147 V HA 0.085 4.205 4.120 0.000 0.000 0.253 147 V C 2.286 178.376 176.094 -0.008 0.000 1.184 147 V CA 1.386 63.679 62.300 -0.013 0.000 1.104 147 V CB -0.253 31.573 31.823 0.005 0.000 0.799 147 V HN 0.500 nan 8.190 nan 0.000 0.462 148 R N 0.674 121.172 120.500 -0.004 0.000 2.052 148 R HA -0.066 4.274 4.340 0.000 0.000 0.224 148 R C 2.125 178.419 176.300 -0.009 0.000 1.165 148 R CA 1.319 57.417 56.100 -0.003 0.000 0.939 148 R CB -0.066 30.236 30.300 0.003 0.000 0.834 148 R HN 0.311 nan 8.270 nan 0.000 0.435 149 E N -0.101 120.093 120.200 -0.011 0.000 2.347 149 E HA -0.049 4.301 4.350 0.000 0.000 0.196 149 E C 1.685 178.278 176.600 -0.010 0.000 1.008 149 E CA 0.961 57.354 56.400 -0.011 0.000 0.852 149 E CB -0.040 29.653 29.700 -0.013 0.000 0.783 149 E HN 0.618 nan 8.360 nan 0.000 0.505 150 G N 1.151 109.941 108.800 -0.016 0.000 2.394 150 G HA2 -0.141 3.819 3.960 0.000 0.000 0.215 150 G HA3 -0.141 3.819 3.960 0.000 0.000 0.215 150 G C 1.656 176.560 174.900 0.006 0.000 1.165 150 G CA 0.789 45.883 45.100 -0.010 0.000 0.784 150 G HN 0.377 nan 8.290 nan 0.000 0.535 151 A N 0.318 123.132 122.820 -0.011 0.000 2.067 151 A HA 0.184 4.504 4.320 0.000 0.000 0.217 151 A C 2.499 180.055 177.584 -0.047 0.000 1.156 151 A CA 1.853 53.874 52.037 -0.027 0.000 0.683 151 A CB -0.433 18.550 19.000 -0.028 0.000 0.808 151 A HN 0.386 nan 8.150 nan 0.000 0.455 152 S N -0.367 115.314 115.700 -0.031 0.000 2.368 152 S HA -0.110 4.360 4.470 0.000 0.000 0.224 152 S C 1.758 176.337 174.600 -0.036 0.000 1.029 152 S CA 1.444 59.621 58.200 -0.038 0.000 0.988 152 S CB -0.374 62.812 63.200 -0.023 0.000 0.838 152 S HN 0.354 nan 8.310 nan 0.000 0.462 153 I N 1.681 122.256 120.570 0.008 0.000 2.394 153 I HA -0.011 4.159 4.170 0.000 0.000 0.251 153 I C 1.953 178.134 176.117 0.106 0.000 1.136 153 I CA 0.881 62.230 61.300 0.082 0.000 1.425 153 I CB -0.389 37.683 38.000 0.121 0.000 1.079 153 I HN 0.357 nan 8.210 nan 0.000 0.425 154 I N -0.192 120.357 120.570 -0.035 0.000 2.315 154 I HA -0.192 3.978 4.170 0.000 0.000 0.248 154 I C 2.523 178.149 176.117 -0.818 0.000 1.117 154 I CA 1.464 62.490 61.300 -0.456 0.000 1.404 154 I CB -0.934 36.958 38.000 -0.179 0.000 1.071 154 I HN 0.278 nan 8.210 nan 0.000 0.419 155 G N 0.943 109.518 108.800 -0.375 0.000 2.394 155 G HA2 -0.105 3.855 3.960 0.000 0.000 0.215 155 G HA3 -0.105 3.855 3.960 0.000 0.000 0.215 155 G C 1.602 176.345 174.900 -0.260 0.000 1.165 155 G CA 0.131 45.052 45.100 -0.299 0.000 0.784 155 G HN 0.134 nan 8.290 nan 0.000 0.535 156 L N 0.629 121.747 121.223 -0.174 0.000 2.141 156 L HA 0.048 4.388 4.340 0.000 0.000 0.209 156 L C 2.662 179.532 176.870 -0.001 0.000 1.094 156 L CA 1.308 56.097 54.840 -0.086 0.000 0.763 156 L CB -1.070 40.969 42.059 -0.034 0.000 0.908 156 L HN 0.484 nan 8.230 nan 0.000 0.437 157 F N -0.691 119.272 119.950 0.022 0.000 2.335 157 F HA 0.019 4.546 4.527 0.000 0.000 0.296 157 F C 2.188 178.096 175.800 0.180 0.000 1.091 157 F CA 0.522 58.565 58.000 0.072 0.000 1.399 157 F CB -0.945 38.096 39.000 0.068 0.000 1.067 157 F HN -0.090 nan 8.300 nan 0.000 0.520 158 I N -0.097 120.377 120.570 -0.161 0.000 2.928 158 I HA -0.093 4.077 4.170 0.000 0.000 0.266 158 I C 2.212 178.347 176.117 0.030 0.000 1.234 158 I CA 0.643 61.977 61.300 0.057 0.000 1.483 158 I CB -0.033 37.824 38.000 -0.238 0.000 1.097 158 I HN 0.391 nan 8.210 nan 0.000 0.455 159 M N 0.136 119.680 119.600 -0.093 0.000 2.115 159 M HA -0.143 4.337 4.480 0.000 0.000 0.261 159 M C 1.986 178.199 176.300 -0.146 0.000 1.079 159 M CA 1.550 56.714 55.300 -0.228 0.000 1.143 159 M CB 0.044 32.504 32.600 -0.234 0.000 1.332 159 M HN 0.096 nan 8.290 nan 0.000 0.421 160 M N -0.024 119.581 119.600 0.009 0.000 2.446 160 M HA -0.126 4.354 4.480 0.000 0.000 0.263 160 M C 1.869 178.273 176.300 0.173 0.000 1.066 160 M CA 1.155 56.524 55.300 0.115 0.000 1.087 160 M CB -1.555 31.098 32.600 0.088 0.000 1.406 160 M HN 0.317 nan 8.290 nan 0.000 0.459 161 F N 1.858 121.838 119.950 0.049 0.000 2.048 161 F HA -0.352 4.175 4.527 0.000 0.000 0.300 161 F C 2.521 178.451 175.800 0.218 0.000 1.221 161 F CA 2.627 60.725 58.000 0.163 0.000 1.214 161 F CB -1.048 38.118 39.000 0.277 0.000 0.941 161 F HN 0.251 nan 8.300 nan 0.000 0.531 162 Y N -2.381 118.330 120.300 0.686 0.000 2.365 162 Y HA -0.038 4.512 4.550 0.000 0.000 0.293 162 Y C 2.159 178.274 175.900 0.357 0.000 1.119 162 Y CA 0.528 58.911 58.100 0.473 0.000 1.203 162 Y CB -2.191 36.468 38.460 0.332 0.000 1.026 162 Y HN 0.327 nan 8.280 nan 0.000 0.549 163 Y N 1.752 121.948 120.300 -0.174 0.000 2.446 163 Y HA -0.102 4.449 4.550 0.000 0.000 0.287 163 Y C 0.831 176.786 175.900 0.092 0.000 1.159 163 Y CA 1.136 59.196 58.100 -0.067 0.000 1.297 163 Y CB 0.103 38.436 38.460 -0.212 0.000 0.974 163 Y HN 0.203 nan 8.280 nan 0.000 0.557 164 S N -0.689 115.116 115.700 0.175 0.000 2.751 164 S HA 0.025 4.495 4.470 0.000 0.000 0.148 164 S C 0.094 174.796 174.600 0.170 0.000 1.057 164 S CA -0.278 58.002 58.200 0.133 0.000 1.103 164 S CB -1.442 61.804 63.200 0.076 0.000 1.709 164 S HN 0.574 nan 8.310 nan 0.000 0.484 165 W N 2.878 124.203 121.300 0.042 0.000 2.336 165 W HA -0.201 4.459 4.660 0.000 0.000 0.277 165 W C 1.272 177.784 176.519 -0.012 0.000 1.211 165 W CA 1.746 59.103 57.345 0.020 0.000 1.187 165 W CB -0.048 29.442 29.460 0.049 0.000 1.132 165 W HN 0.470 nan 8.180 nan 0.000 0.562 166 Q N 0.677 119.854 119.800 -1.039 0.000 2.049 166 Q HA -0.102 4.238 4.340 0.000 0.000 0.198 166 Q C 2.268 177.987 176.000 -0.469 0.000 0.971 166 Q CA 1.344 56.511 55.803 -1.060 0.000 0.833 166 Q CB -0.744 27.415 28.738 -0.965 0.000 0.896 166 Q HN 0.398 nan 8.270 nan 0.000 0.434 167 L N 0.203 121.261 121.223 -0.274 0.000 2.395 167 L HA 0.025 4.365 4.340 0.000 0.000 0.218 167 L C 2.154 178.915 176.870 -0.180 0.000 1.130 167 L CA 0.871 55.610 54.840 -0.168 0.000 0.826 167 L CB -1.140 40.895 42.059 -0.040 0.000 0.941 167 L HN 0.145 nan 8.230 nan 0.000 0.451 168 S N -0.178 115.424 115.700 -0.163 0.000 2.522 168 S HA 0.040 4.510 4.470 0.000 0.000 0.227 168 S C 1.657 176.127 174.600 -0.217 0.000 0.986 168 S CA 0.199 58.307 58.200 -0.153 0.000 0.929 168 S CB -0.058 63.066 63.200 -0.127 0.000 0.769 168 S HN 0.400 nan 8.310 nan 0.000 0.529 169 I N 1.059 121.473 120.570 -0.261 0.000 3.735 169 I HA 0.080 4.250 4.170 0.000 0.000 0.310 169 I C 0.714 176.644 176.117 -0.312 0.000 1.270 169 I CA 0.030 61.180 61.300 -0.249 0.000 1.207 169 I CB 0.092 37.945 38.000 -0.244 0.000 1.013 169 I HN 0.315 nan 8.210 nan 0.000 0.452 170 I N -0.315 120.034 120.570 -0.368 0.000 3.445 170 I HA -0.003 4.167 4.170 0.000 0.000 0.288 170 I C 1.996 177.936 176.117 -0.296 0.000 1.198 170 I CA 0.820 61.816 61.300 -0.505 0.000 1.417 170 I CB -0.662 36.944 38.000 -0.657 0.000 1.205 170 I HN 0.160 nan 8.210 nan 0.000 0.448 171 L N 0.742 121.837 121.223 -0.213 0.000 2.141 171 L HA -0.056 4.284 4.340 0.000 0.000 0.209 171 L C 1.446 178.226 176.870 -0.150 0.000 1.094 171 L CA 1.111 55.865 54.840 -0.144 0.000 0.763 171 L CB 0.136 42.138 42.059 -0.096 0.000 0.908 171 L HN -0.039 nan 8.230 nan 0.000 0.437 172 V N -0.317 119.495 119.914 -0.171 0.000 3.544 172 V HA -0.012 4.108 4.120 0.000 0.000 0.304 172 V C 1.339 177.356 176.094 -0.128 0.000 1.256 172 V CA 0.343 62.553 62.300 -0.150 0.000 1.232 172 V CB 0.258 31.988 31.823 -0.155 0.000 1.065 172 V HN 0.327 nan 8.190 nan 0.000 0.423 173 V N -1.260 118.572 119.914 -0.136 0.000 3.368 173 V HA 0.229 4.349 4.120 0.000 0.000 0.255 173 V C 1.370 177.411 176.094 -0.088 0.000 1.466 173 V CA 0.439 62.672 62.300 -0.110 0.000 1.095 173 V CB 1.154 32.897 31.823 -0.134 0.000 0.899 173 V HN 0.441 nan 8.190 nan 0.000 0.440 174 L N 0.076 121.240 121.223 -0.098 0.000 2.575 174 L HA 0.447 4.787 4.340 0.000 0.000 0.228 174 L C 2.372 179.204 176.870 -0.063 0.000 1.075 174 L CA 1.452 56.251 54.840 -0.068 0.000 0.867 174 L CB -0.466 41.555 42.059 -0.063 0.000 1.097 174 L HN 0.203 nan 8.230 nan 0.000 0.485 175 A N 1.238 124.010 122.820 -0.081 0.000 1.902 175 A HA -0.066 4.254 4.320 0.000 0.000 0.217 175 A C -0.194 177.346 177.584 -0.074 0.000 1.181 175 A CA 1.888 53.875 52.037 -0.083 0.000 0.623 175 A CB -1.695 17.233 19.000 -0.120 0.000 0.818 175 A HN 0.338 nan 8.150 nan 0.000 0.443 176 P HA -0.014 nan 4.420 nan 0.000 0.225 176 P C 1.381 178.657 177.300 -0.040 0.000 1.156 176 P CA 0.740 63.806 63.100 -0.057 0.000 0.787 176 P CB -0.037 31.630 31.700 -0.056 0.000 0.802 177 I N -0.554 119.993 120.570 -0.039 0.000 2.480 177 I HA -0.105 4.065 4.170 0.000 0.000 0.251 177 I C 2.588 178.693 176.117 -0.021 0.000 1.124 177 I CA 0.706 61.990 61.300 -0.027 0.000 1.444 177 I CB -0.452 37.532 38.000 -0.025 0.000 1.098 177 I HN -0.170 nan 8.210 nan 0.000 0.428 178 V N -0.499 119.401 119.914 -0.024 0.000 2.548 178 V HA -0.220 3.900 4.120 0.000 0.000 0.249 178 V C 2.527 178.613 176.094 -0.014 0.000 1.055 178 V CA 2.245 64.536 62.300 -0.015 0.000 1.065 178 V CB 0.208 32.021 31.823 -0.016 0.000 0.681 178 V HN 0.452 nan 8.190 nan 0.000 0.462 179 S N -0.433 115.253 115.700 -0.024 0.000 2.383 179 S HA -0.093 4.377 4.470 0.000 0.000 0.227 179 S C 1.867 176.461 174.600 -0.010 0.000 1.026 179 S CA 1.591 59.778 58.200 -0.023 0.000 0.981 179 S CB -0.239 62.937 63.200 -0.039 0.000 0.818 179 S HN 0.527 nan 8.310 nan 0.000 0.472 180 I N 1.836 122.399 120.570 -0.011 0.000 2.333 180 I HA 0.058 4.228 4.170 0.000 0.000 0.246 180 I C 2.815 178.932 176.117 -0.001 0.000 1.106 180 I CA 1.133 62.430 61.300 -0.004 0.000 1.411 180 I CB -1.828 36.167 38.000 -0.008 0.000 1.082 180 I HN 0.359 nan 8.210 nan 0.000 0.420 181 A N 0.561 123.378 122.820 -0.004 0.000 1.972 181 A HA -0.178 4.142 4.320 0.000 0.000 0.219 181 A C 2.306 179.890 177.584 0.001 0.000 1.169 181 A CA 1.348 53.382 52.037 -0.005 0.000 0.635 181 A CB -0.612 18.385 19.000 -0.006 0.000 0.810 181 A HN 0.327 nan 8.150 nan 0.000 0.446 182 I N -1.276 119.302 120.570 0.012 0.000 2.480 182 I HA -0.013 4.157 4.170 0.000 0.000 0.251 182 I C 2.237 178.383 176.117 0.048 0.000 1.124 182 I CA 0.936 62.257 61.300 0.035 0.000 1.444 182 I CB -0.166 37.854 38.000 0.034 0.000 1.098 182 I HN 0.213 nan 8.210 nan 0.000 0.428 183 R N -0.025 120.496 120.500 0.035 0.000 2.096 183 R HA -0.097 4.243 4.340 0.000 0.000 0.235 183 R C 2.118 178.449 176.300 0.051 0.000 1.127 183 R CA 1.783 57.914 56.100 0.052 0.000 0.968 183 R CB -0.881 29.444 30.300 0.041 0.000 0.861 183 R HN 0.265 nan 8.270 nan 0.000 0.440 184 V N -0.667 119.259 119.914 0.021 0.000 2.270 184 V HA -0.199 3.921 4.120 0.000 0.000 0.245 184 V C 2.197 178.268 176.094 -0.039 0.000 1.043 184 V CA 1.779 64.078 62.300 -0.002 0.000 1.014 184 V CB -0.349 31.464 31.823 -0.017 0.000 0.645 184 V HN 0.155 nan 8.190 nan 0.000 0.447 185 V N -0.086 119.786 119.914 -0.070 0.000 2.546 185 V HA -0.268 3.852 4.120 0.000 0.000 0.254 185 V C 2.521 178.480 176.094 -0.225 0.000 1.076 185 V CA 2.247 64.415 62.300 -0.220 0.000 1.087 185 V CB -0.783 30.927 31.823 -0.188 0.000 0.674 185 V HN 0.537 nan 8.190 nan 0.000 0.470 186 S N -0.748 115.001 115.700 0.082 0.000 2.383 186 S HA -0.190 4.280 4.470 0.000 0.000 0.227 186 S C 2.031 176.762 174.600 0.217 0.000 1.026 186 S CA 1.428 59.806 58.200 0.297 0.000 0.981 186 S CB -0.211 63.135 63.200 0.243 0.000 0.818 186 S HN 0.505 nan 8.310 nan 0.000 0.472 187 K N 1.187 121.648 120.400 0.102 0.000 2.148 187 K HA 0.105 4.425 4.320 0.000 0.000 0.204 187 K C 2.127 178.755 176.600 0.047 0.000 1.050 187 K CA 0.706 57.043 56.287 0.084 0.000 0.942 187 K CB -0.040 32.491 32.500 0.052 0.000 0.724 187 K HN 0.092 nan 8.250 nan 0.000 0.446 188 R N -0.852 119.624 120.500 -0.039 0.000 2.276 188 R HA -0.014 4.326 4.340 0.000 0.000 0.203 188 R C 1.152 177.429 176.300 -0.039 0.000 1.017 188 R CA 0.618 56.668 56.100 -0.083 0.000 1.010 188 R CB 0.049 30.241 30.300 -0.181 0.000 0.900 188 R HN 0.104 nan 8.270 nan 0.000 0.469 189 F N 0.569 120.548 119.950 0.048 0.000 2.149 189 F HA 0.056 4.583 4.527 0.000 0.000 0.294 189 F C 2.249 178.082 175.800 0.055 0.000 1.095 189 F CA 0.993 59.026 58.000 0.055 0.000 1.276 189 F CB -0.361 38.682 39.000 0.072 0.000 1.023 189 F HN -0.103 nan 8.300 nan 0.000 0.480 190 R N -0.632 120.026 120.500 0.264 0.000 2.083 190 R HA -0.173 4.167 4.340 0.000 0.000 0.237 190 R C 2.476 178.840 176.300 0.107 0.000 1.137 190 R CA 1.711 57.906 56.100 0.159 0.000 0.951 190 R CB -1.034 29.342 30.300 0.127 0.000 0.851 190 R HN 0.171 nan 8.270 nan 0.000 0.434 191 S N 0.581 116.334 115.700 0.088 0.000 2.344 191 S HA -0.082 4.388 4.470 0.000 0.000 0.217 191 S C 1.988 176.623 174.600 0.058 0.000 1.033 191 S CA 0.997 59.230 58.200 0.055 0.000 1.017 191 S CB -0.105 63.114 63.200 0.032 0.000 0.941 191 S HN 0.138 nan 8.310 nan 0.000 0.430 192 I N 1.703 122.314 120.570 0.069 0.000 2.315 192 I HA -0.128 4.042 4.170 0.000 0.000 0.251 192 I C 2.614 178.778 176.117 0.079 0.000 1.125 192 I CA 1.418 62.759 61.300 0.068 0.000 1.392 192 I CB -1.798 36.253 38.000 0.085 0.000 1.065 192 I HN 0.361 nan 8.210 nan 0.000 0.424 193 S N 0.314 116.078 115.700 0.106 0.000 2.357 193 S HA -0.167 4.303 4.470 0.000 0.000 0.221 193 S C 2.140 176.777 174.600 0.062 0.000 1.031 193 S CA 1.044 59.300 58.200 0.093 0.000 0.982 193 S CB -0.086 63.175 63.200 0.102 0.000 0.853 193 S HN 0.295 nan 8.310 nan 0.000 0.458 194 K N 1.819 122.250 120.400 0.052 0.000 2.000 194 K HA -0.174 4.146 4.320 0.000 0.000 0.218 194 K C 1.734 178.341 176.600 0.011 0.000 1.053 194 K CA 2.092 58.398 56.287 0.031 0.000 0.946 194 K CB -1.014 31.502 32.500 0.027 0.000 0.723 194 K HN 0.405 nan 8.250 nan 0.000 0.446 195 N N 0.997 119.702 118.700 0.008 0.000 2.149 195 N HA -0.201 4.539 4.740 0.000 0.000 0.188 195 N C 1.907 177.399 175.510 -0.030 0.000 1.019 195 N CA 1.432 54.476 53.050 -0.011 0.000 0.857 195 N CB -0.339 38.145 38.487 -0.006 0.000 0.997 195 N HN 0.368 nan 8.380 nan 0.000 0.426 196 M N 1.144 120.734 119.600 -0.018 0.000 2.202 196 M HA -0.234 4.246 4.480 0.000 0.000 0.262 196 M C 1.814 178.042 176.300 -0.120 0.000 1.063 196 M CA 1.461 56.735 55.300 -0.044 0.000 1.097 196 M CB 0.069 32.673 32.600 0.007 0.000 1.382 196 M HN 0.160 nan 8.290 nan 0.000 0.413 197 Q N 0.158 119.905 119.800 -0.089 0.000 1.916 197 Q HA -0.164 4.176 4.340 0.000 0.000 0.203 197 Q C 1.663 177.563 176.000 -0.167 0.000 0.983 197 Q CA 2.103 57.816 55.803 -0.150 0.000 0.846 197 Q CB -0.549 28.180 28.738 -0.015 0.000 0.909 197 Q HN 0.660 nan 8.270 nan 0.000 0.427 198 N N -0.066 118.582 118.700 -0.087 0.000 2.111 198 N HA -0.227 4.514 4.740 0.000 0.000 0.197 198 N C 1.815 177.262 175.510 -0.104 0.000 1.011 198 N CA 1.654 54.658 53.050 -0.076 0.000 0.880 198 N CB -0.274 38.185 38.487 -0.047 0.000 1.031 198 N HN 0.234 nan 8.380 nan 0.000 0.444 199 T N 1.233 115.718 114.554 -0.115 0.000 2.607 199 T HA -0.205 4.145 4.350 0.000 0.000 0.267 199 T C 1.891 176.488 174.700 -0.170 0.000 1.049 199 T CA 1.420 63.444 62.100 -0.127 0.000 1.162 199 T CB -0.305 68.493 68.868 -0.118 0.000 0.863 199 T HN 0.175 nan 8.240 nan 0.000 0.424 200 M N 1.517 120.966 119.600 -0.251 0.000 2.144 200 M HA -0.022 4.458 4.480 0.000 0.000 0.260 200 M C 2.217 178.391 176.300 -0.210 0.000 1.067 200 M CA 1.732 56.841 55.300 -0.318 0.000 1.095 200 M CB -1.111 31.069 32.600 -0.699 0.000 1.365 200 M HN 0.275 nan 8.290 nan 0.000 0.406 201 G N -0.842 107.853 108.800 -0.174 0.000 2.446 201 G HA2 -0.251 3.709 3.960 0.000 0.000 0.217 201 G HA3 -0.251 3.709 3.960 0.000 0.000 0.217 201 G C 1.410 176.268 174.900 -0.069 0.000 1.168 201 G CA 0.882 45.925 45.100 -0.094 0.000 0.771 201 G HN 0.625 nan 8.290 nan 0.000 0.551 202 Q N -0.107 119.644 119.800 -0.081 0.000 2.124 202 Q HA -0.062 4.278 4.340 0.000 0.000 0.202 202 Q C 2.847 178.808 176.000 -0.066 0.000 0.977 202 Q CA 1.234 56.998 55.803 -0.065 0.000 0.850 202 Q CB -0.283 28.411 28.738 -0.073 0.000 0.901 202 Q HN 0.400 nan 8.270 nan 0.000 0.429 203 V N 0.887 120.737 119.914 -0.107 0.000 2.324 203 V HA -0.305 3.815 4.120 0.000 0.000 0.250 203 V C 2.195 178.303 176.094 0.024 0.000 1.060 203 V CA 2.246 64.470 62.300 -0.128 0.000 1.042 203 V CB -1.049 30.680 31.823 -0.158 0.000 0.650 203 V HN 0.434 nan 8.190 nan 0.000 0.450 204 T N -0.259 114.303 114.554 0.014 0.000 2.595 204 T HA -0.227 4.123 4.350 0.000 0.000 0.264 204 T C 1.980 176.715 174.700 0.058 0.000 1.058 204 T CA 2.295 64.425 62.100 0.050 0.000 1.166 204 T CB -0.578 68.304 68.868 0.024 0.000 0.863 204 T HN 0.571 nan 8.240 nan 0.000 0.415 205 T N 1.720 116.290 114.554 0.026 0.000 2.597 205 T HA -0.195 4.155 4.350 0.000 0.000 0.267 205 T C 2.256 176.988 174.700 0.053 0.000 1.053 205 T CA 1.814 63.929 62.100 0.024 0.000 1.165 205 T CB -0.767 68.102 68.868 0.001 0.000 0.863 205 T HN 0.394 nan 8.240 nan 0.000 0.427 206 S N 0.561 116.307 115.700 0.077 0.000 2.419 206 S HA -0.093 4.377 4.470 0.000 0.000 0.235 206 S C 2.221 176.932 174.600 0.186 0.000 1.019 206 S CA 1.327 59.608 58.200 0.136 0.000 0.982 206 S CB -0.453 62.850 63.200 0.171 0.000 0.789 206 S HN 0.550 nan 8.310 nan 0.000 0.490 207 A N 0.813 123.756 122.820 0.205 0.000 1.898 207 A HA 0.016 4.336 4.320 0.000 0.000 0.214 207 A C 2.052 179.662 177.584 0.043 0.000 1.183 207 A CA 1.383 53.500 52.037 0.135 0.000 0.622 207 A CB -0.737 18.368 19.000 0.175 0.000 0.824 207 A HN 0.716 nan 8.150 nan 0.000 0.444 208 E N -0.424 119.802 120.200 0.044 0.000 2.023 208 E HA -0.272 4.078 4.350 0.000 0.000 0.196 208 E C 2.075 178.677 176.600 0.002 0.000 1.003 208 E CA 1.461 57.871 56.400 0.017 0.000 0.809 208 E CB -0.194 29.516 29.700 0.017 0.000 0.755 208 E HN 0.502 nan 8.360 nan 0.000 0.449 209 Q N 0.355 120.160 119.800 0.008 0.000 2.062 209 Q HA -0.260 4.080 4.340 0.000 0.000 0.209 209 Q C 2.173 178.159 176.000 -0.023 0.000 0.996 209 Q CA 2.005 57.803 55.803 -0.010 0.000 0.859 209 Q CB -0.857 27.884 28.738 0.005 0.000 0.920 209 Q HN 0.405 nan 8.270 nan 0.000 0.415 210 M N 0.576 120.171 119.600 -0.008 0.000 2.226 210 M HA -0.211 4.269 4.480 0.000 0.000 0.257 210 M C 1.652 177.930 176.300 -0.037 0.000 1.070 210 M CA 1.793 57.076 55.300 -0.028 0.000 1.087 210 M CB -0.765 31.799 32.600 -0.059 0.000 1.278 210 M HN 0.170 nan 8.290 nan 0.000 0.426 211 L N 0.130 121.324 121.223 -0.049 0.000 2.005 211 L HA -0.140 4.200 4.340 0.000 0.000 0.207 211 L C 2.453 179.313 176.870 -0.017 0.000 1.072 211 L CA 1.768 56.574 54.840 -0.057 0.000 0.744 211 L CB -2.150 39.870 42.059 -0.064 0.000 0.895 211 L HN 0.343 nan 8.230 nan 0.000 0.433 212 K N 0.154 120.543 120.400 -0.018 0.000 2.127 212 K HA -0.140 4.180 4.320 0.000 0.000 0.208 212 K C 1.736 178.321 176.600 -0.025 0.000 1.047 212 K CA 1.464 57.742 56.287 -0.015 0.000 0.927 212 K CB -0.775 31.712 32.500 -0.022 0.000 0.716 212 K HN 0.453 nan 8.250 nan 0.000 0.450 213 G N -0.084 108.685 108.800 -0.052 0.000 3.314 213 G HA2 -0.103 3.857 3.960 0.000 0.000 0.238 213 G HA3 -0.103 3.857 3.960 0.000 0.000 0.238 213 G C 0.983 175.833 174.900 -0.084 0.000 1.184 213 G CA -0.111 44.919 45.100 -0.116 0.000 0.806 213 G HN 0.275 nan 8.290 nan 0.000 0.536 214 H N 2.050 121.053 119.070 -0.111 0.000 2.261 214 H HA -0.163 4.393 4.556 0.000 0.000 0.290 214 H C 2.534 177.814 175.328 -0.081 0.000 1.081 214 H CA 2.051 58.048 56.048 -0.084 0.000 1.196 214 H CB 0.261 29.990 29.762 -0.055 0.000 1.350 214 H HN 0.094 nan 8.280 nan 0.000 0.498 215 K N 0.436 120.748 120.400 -0.146 0.000 2.049 215 K HA -0.218 4.102 4.320 0.000 0.000 0.219 215 K C 2.172 178.667 176.600 -0.175 0.000 1.056 215 K CA 1.952 58.123 56.287 -0.193 0.000 0.946 215 K CB -0.701 31.743 32.500 -0.094 0.000 0.723 215 K HN 0.408 nan 8.250 nan 0.000 0.453 216 E N 0.593 120.691 120.200 -0.170 0.000 2.019 216 E HA -0.154 4.196 4.350 0.000 0.000 0.208 216 E C 2.086 178.586 176.600 -0.166 0.000 1.030 216 E CA 1.385 57.661 56.400 -0.206 0.000 0.856 216 E CB -0.794 28.653 29.700 -0.422 0.000 0.781 216 E HN 0.062 nan 8.360 nan 0.000 0.471 217 V N 0.646 120.372 119.914 -0.313 0.000 2.680 217 V HA -0.298 3.822 4.120 0.000 0.000 0.267 217 V C 1.953 178.110 176.094 0.105 0.000 1.137 217 V CA 1.469 63.742 62.300 -0.045 0.000 1.143 217 V CB -0.683 31.127 31.823 -0.023 0.000 0.711 217 V HN 0.137 nan 8.190 nan 0.000 0.490 218 L N -0.533 120.679 121.223 -0.019 0.000 2.116 218 L HA 0.090 4.430 4.340 0.000 0.000 0.200 218 L C 2.212 179.105 176.870 0.039 0.000 1.084 218 L CA 2.037 56.863 54.840 -0.023 0.000 0.766 218 L CB -0.674 41.298 42.059 -0.145 0.000 0.930 218 L HN 0.420 nan 8.230 nan 0.000 0.453 219 I N -4.407 116.184 120.570 0.034 0.000 2.546 219 I HA -0.174 3.996 4.170 0.000 0.000 0.255 219 I C 2.482 178.673 176.117 0.123 0.000 1.163 219 I CA 0.834 62.165 61.300 0.052 0.000 1.457 219 I CB -0.562 37.456 38.000 0.030 0.000 1.092 219 I HN 0.065 nan 8.210 nan 0.000 0.434 220 F N 3.633 123.564 119.950 -0.032 0.000 2.037 220 F HA -0.138 4.389 4.527 0.000 0.000 0.296 220 F C 1.827 177.618 175.800 -0.015 0.000 1.132 220 F CA 2.194 60.182 58.000 -0.020 0.000 1.211 220 F CB -0.999 37.991 39.000 -0.016 0.000 0.951 220 F HN 0.392 nan 8.300 nan 0.000 0.503 221 G N -1.277 107.593 108.800 0.117 0.000 2.427 221 G HA2 0.173 4.133 3.960 0.000 0.000 0.193 221 G HA3 0.173 4.133 3.960 0.000 0.000 0.193 221 G C 0.330 175.177 174.900 -0.088 0.000 1.086 221 G CA 0.140 45.232 45.100 -0.014 0.000 0.818 221 G HN 1.373 nan 8.290 nan 0.000 0.490 222 G N -0.344 108.474 108.800 0.029 0.000 5.364 222 G HA2 0.438 4.398 3.960 0.000 0.000 0.220 222 G HA3 0.438 4.398 3.960 0.000 0.000 0.220 222 G C 1.110 176.106 174.900 0.160 0.000 0.838 222 G CA 0.957 46.066 45.100 0.015 0.000 0.727 222 G HN 0.632 nan 8.290 nan 0.000 0.303 223 Q N 1.288 121.180 119.800 0.153 0.000 2.152 223 Q HA -0.212 4.129 4.340 0.000 0.000 0.206 223 Q C 1.647 177.702 176.000 0.091 0.000 0.985 223 Q CA 2.188 58.068 55.803 0.128 0.000 0.863 223 Q CB -0.422 28.370 28.738 0.091 0.000 0.904 223 Q HN 0.600 nan 8.270 nan 0.000 0.422 224 E N 1.194 121.434 120.200 0.066 0.000 2.216 224 E HA -0.023 4.327 4.350 0.000 0.000 0.192 224 E C 2.093 178.728 176.600 0.059 0.000 0.988 224 E CA 0.942 57.373 56.400 0.052 0.000 0.834 224 E CB -0.785 28.934 29.700 0.033 0.000 0.772 224 E HN 0.158 nan 8.360 nan 0.000 0.479 225 V N 1.431 121.382 119.914 0.061 0.000 2.490 225 V HA -0.213 3.907 4.120 0.000 0.000 0.250 225 V C 2.142 178.295 176.094 0.098 0.000 1.061 225 V CA 1.979 64.314 62.300 0.059 0.000 1.064 225 V CB -0.486 31.359 31.823 0.037 0.000 0.670 225 V HN 0.229 nan 8.190 nan 0.000 0.461 226 E N 0.162 120.437 120.200 0.126 0.000 2.046 226 E HA -0.126 4.224 4.350 0.000 0.000 0.190 226 E C 2.381 179.055 176.600 0.125 0.000 0.982 226 E CA 1.683 58.161 56.400 0.131 0.000 0.800 226 E CB -0.743 29.029 29.700 0.119 0.000 0.756 226 E HN 0.583 nan 8.360 nan 0.000 0.449 227 T N 2.167 116.777 114.554 0.094 0.000 2.624 227 T HA -0.233 4.117 4.350 0.000 0.000 0.268 227 T C 1.883 176.666 174.700 0.138 0.000 1.041 227 T CA 2.023 64.181 62.100 0.098 0.000 1.159 227 T CB -0.198 68.707 68.868 0.062 0.000 0.863 227 T HN 0.180 nan 8.240 nan 0.000 0.434 228 K N 1.008 121.467 120.400 0.098 0.000 2.020 228 K HA -0.213 4.107 4.320 0.000 0.000 0.212 228 K C 2.526 179.182 176.600 0.094 0.000 1.050 228 K CA 1.752 58.089 56.287 0.082 0.000 0.929 228 K CB -0.230 32.303 32.500 0.055 0.000 0.714 228 K HN 0.180 nan 8.250 nan 0.000 0.443 229 R N -0.500 120.062 120.500 0.105 0.000 2.103 229 R HA -0.196 4.144 4.340 0.000 0.000 0.242 229 R C 2.284 178.650 176.300 0.110 0.000 1.142 229 R CA 1.950 58.107 56.100 0.095 0.000 0.960 229 R CB -0.445 29.919 30.300 0.107 0.000 0.858 229 R HN 0.289 nan 8.270 nan 0.000 0.439 230 F N 1.693 121.652 119.950 0.014 0.000 2.084 230 F HA -0.201 4.326 4.527 0.000 0.000 0.296 230 F C 1.891 177.694 175.800 0.004 0.000 1.111 230 F CA 1.934 59.939 58.000 0.008 0.000 1.224 230 F CB -0.231 38.775 39.000 0.010 0.000 0.991 230 F HN 0.081 nan 8.300 nan 0.000 0.471 231 D N 0.263 120.756 120.400 0.155 0.000 2.133 231 D HA -0.264 4.376 4.640 0.000 0.000 0.195 231 D C 2.153 178.427 176.300 -0.043 0.000 0.997 231 D CA 1.579 55.612 54.000 0.056 0.000 0.840 231 D CB -0.443 40.404 40.800 0.080 0.000 0.947 231 D HN 0.332 nan 8.370 nan 0.000 0.452 232 K N 0.765 121.145 120.400 -0.033 0.000 2.057 232 K HA -0.103 4.217 4.320 0.000 0.000 0.207 232 K C 2.074 178.610 176.600 -0.107 0.000 1.049 232 K CA 0.782 57.038 56.287 -0.051 0.000 0.931 232 K CB 0.114 32.600 32.500 -0.024 0.000 0.714 232 K HN -0.074 nan 8.250 nan 0.000 0.440 233 V N 1.148 120.957 119.914 -0.175 0.000 2.346 233 V HA -0.229 3.891 4.120 0.000 0.000 0.244 233 V C 2.373 178.283 176.094 -0.306 0.000 1.037 233 V CA 1.838 63.998 62.300 -0.234 0.000 1.029 233 V CB -0.263 31.397 31.823 -0.272 0.000 0.663 233 V HN 0.553 nan 8.190 nan 0.000 0.454 234 S N 1.405 116.816 115.700 -0.482 0.000 2.369 234 S HA -0.375 4.095 4.470 0.000 0.000 0.225 234 S C 1.850 176.336 174.600 -0.189 0.000 1.043 234 S CA 2.300 60.257 58.200 -0.406 0.000 1.074 234 S CB -1.023 61.939 63.200 -0.397 0.000 0.962 234 S HN 0.599 nan 8.310 nan 0.000 0.433 235 N N 2.020 120.640 118.700 -0.133 0.000 2.036 235 N HA -0.179 4.561 4.740 0.000 0.000 0.195 235 N C 1.675 177.142 175.510 -0.073 0.000 1.037 235 N CA 1.964 54.970 53.050 -0.073 0.000 0.855 235 N CB -0.497 37.961 38.487 -0.048 0.000 1.033 235 N HN 0.629 nan 8.380 nan 0.000 0.423 236 K N -0.879 119.469 120.400 -0.086 0.000 2.442 236 K HA -0.194 4.126 4.320 0.000 0.000 0.200 236 K C 1.687 178.240 176.600 -0.078 0.000 1.045 236 K CA 1.025 57.267 56.287 -0.074 0.000 0.937 236 K CB -0.085 32.367 32.500 -0.079 0.000 0.757 236 K HN 0.282 nan 8.250 nan 0.000 0.474 237 M N 0.879 120.421 119.600 -0.097 0.000 2.384 237 M HA -0.047 4.433 4.480 0.000 0.000 0.258 237 M C 1.917 178.185 176.300 -0.053 0.000 1.130 237 M CA 1.122 56.367 55.300 -0.091 0.000 1.187 237 M CB -0.127 32.400 32.600 -0.121 0.000 1.307 237 M HN 0.060 nan 8.290 nan 0.000 0.468 238 R N 0.494 120.967 120.500 -0.044 0.000 2.139 238 R HA -0.160 4.180 4.340 0.000 0.000 0.243 238 R C 1.598 177.892 176.300 -0.010 0.000 1.145 238 R CA 2.000 58.089 56.100 -0.018 0.000 0.976 238 R CB -1.335 28.958 30.300 -0.013 0.000 0.866 238 R HN 0.463 nan 8.270 nan 0.000 0.449 239 L N 0.024 121.236 121.223 -0.018 0.000 2.416 239 L HA 0.058 4.398 4.340 0.000 0.000 0.216 239 L C 2.561 179.426 176.870 -0.008 0.000 1.098 239 L CA 0.365 55.199 54.840 -0.010 0.000 0.840 239 L CB -0.232 41.818 42.059 -0.015 0.000 0.981 239 L HN 0.161 nan 8.230 nan 0.000 0.462 240 Q N 1.006 120.795 119.800 -0.018 0.000 2.016 240 Q HA -0.092 4.248 4.340 0.000 0.000 0.200 240 Q C 2.157 178.161 176.000 0.007 0.000 0.978 240 Q CA 2.166 57.961 55.803 -0.014 0.000 0.833 240 Q CB -0.591 28.126 28.738 -0.035 0.000 0.895 240 Q HN 0.333 nan 8.270 nan 0.000 0.427 241 G N 0.137 108.943 108.800 0.009 0.000 2.404 241 G HA2 -0.281 3.679 3.960 0.000 0.000 0.215 241 G HA3 -0.281 3.679 3.960 0.000 0.000 0.215 241 G C 1.418 176.343 174.900 0.043 0.000 1.174 241 G CA 1.022 46.143 45.100 0.035 0.000 0.780 241 G HN 0.392 nan 8.290 nan 0.000 0.537 242 M N 0.421 120.038 119.600 0.029 0.000 2.144 242 M HA -0.042 4.438 4.480 0.000 0.000 0.260 242 M C 2.292 178.614 176.300 0.037 0.000 1.067 242 M CA 1.645 56.964 55.300 0.031 0.000 1.095 242 M CB -0.183 32.428 32.600 0.019 0.000 1.365 242 M HN 0.191 nan 8.290 nan 0.000 0.406 243 K N -0.228 120.190 120.400 0.030 0.000 2.032 243 K HA -0.186 4.134 4.320 0.000 0.000 0.209 243 K C 2.026 178.656 176.600 0.050 0.000 1.048 243 K CA 2.137 58.441 56.287 0.028 0.000 0.927 243 K CB -0.530 31.980 32.500 0.017 0.000 0.712 243 K HN 0.514 nan 8.250 nan 0.000 0.441 244 M N 0.121 119.768 119.600 0.079 0.000 2.077 244 M HA -0.148 4.332 4.480 0.000 0.000 0.261 244 M C 1.961 178.373 176.300 0.187 0.000 1.070 244 M CA 2.044 57.433 55.300 0.148 0.000 1.125 244 M CB -0.173 32.539 32.600 0.188 0.000 1.339 244 M HN 0.099 nan 8.290 nan 0.000 0.409 245 V N -1.945 118.049 119.914 0.133 0.000 2.324 245 V HA -0.222 3.898 4.120 0.000 0.000 0.250 245 V C 2.002 178.162 176.094 0.110 0.000 1.060 245 V CA 2.476 64.847 62.300 0.118 0.000 1.042 245 V CB -1.425 30.442 31.823 0.073 0.000 0.650 245 V HN 0.532 nan 8.190 nan 0.000 0.450 246 S N 0.712 116.459 115.700 0.079 0.000 2.387 246 S HA 0.095 4.565 4.470 0.000 0.000 0.226 246 S C 2.264 176.898 174.600 0.058 0.000 1.026 246 S CA 1.383 59.617 58.200 0.057 0.000 0.972 246 S CB -0.570 62.651 63.200 0.035 0.000 0.814 246 S HN 0.962 nan 8.310 nan 0.000 0.477 247 A N 0.589 123.442 122.820 0.055 0.000 1.972 247 A HA -0.075 4.245 4.320 0.000 0.000 0.219 247 A C 2.234 179.841 177.584 0.038 0.000 1.169 247 A CA 1.888 53.922 52.037 -0.004 0.000 0.635 247 A CB -0.753 18.203 19.000 -0.073 0.000 0.810 247 A HN 0.461 nan 8.150 nan 0.000 0.446 248 S N -1.081 114.758 115.700 0.231 0.000 2.414 248 S HA -0.085 4.385 4.470 0.000 0.000 0.227 248 S C 2.298 177.021 174.600 0.206 0.000 1.022 248 S CA 1.476 59.925 58.200 0.415 0.000 0.958 248 S CB -0.389 63.087 63.200 0.461 0.000 0.797 248 S HN 0.649 nan 8.310 nan 0.000 0.493 249 S N 1.858 117.634 115.700 0.127 0.000 2.348 249 S HA -0.110 4.360 4.470 0.000 0.000 0.221 249 S C 1.918 176.555 174.600 0.062 0.000 1.033 249 S CA 1.575 59.823 58.200 0.080 0.000 1.010 249 S CB -0.744 62.491 63.200 0.058 0.000 0.891 249 S HN 0.711 nan 8.310 nan 0.000 0.442 250 I N -0.372 120.226 120.570 0.047 0.000 2.676 250 I HA 0.053 4.223 4.170 0.000 0.000 0.259 250 I C 2.287 178.421 176.117 0.030 0.000 1.194 250 I CA 1.362 62.678 61.300 0.028 0.000 1.473 250 I CB -0.653 37.353 38.000 0.010 0.000 1.096 250 I HN 0.272 nan 8.210 nan 0.000 0.443 251 S N 1.376 117.105 115.700 0.049 0.000 2.382 251 S HA -0.195 4.275 4.470 0.000 0.000 0.228 251 S C 1.643 176.284 174.600 0.068 0.000 1.027 251 S CA 1.895 60.130 58.200 0.058 0.000 0.991 251 S CB -0.427 62.850 63.200 0.128 0.000 0.823 251 S HN 0.575 nan 8.310 nan 0.000 0.469 252 D N 1.183 121.627 120.400 0.074 0.000 2.077 252 D HA -0.014 4.626 4.640 0.000 0.000 0.197 252 D C -0.599 175.723 176.300 0.037 0.000 0.983 252 D CA 1.247 55.280 54.000 0.056 0.000 0.841 252 D CB -1.890 38.941 40.800 0.053 0.000 0.992 252 D HN 0.296 nan 8.370 nan 0.000 0.450 253 P HA -0.120 nan 4.420 nan 0.000 0.218 253 P C 1.513 178.825 177.300 0.020 0.000 1.146 253 P CA 0.804 63.918 63.100 0.024 0.000 0.820 253 P CB 0.050 31.763 31.700 0.022 0.000 0.778 254 I N -1.766 118.815 120.570 0.019 0.000 2.315 254 I HA -0.158 4.012 4.170 0.000 0.000 0.248 254 I C 2.038 178.163 176.117 0.014 0.000 1.117 254 I CA 1.379 62.687 61.300 0.013 0.000 1.404 254 I CB -1.155 36.849 38.000 0.007 0.000 1.071 254 I HN -0.040 nan 8.210 nan 0.000 0.419 255 I N 0.496 121.078 120.570 0.019 0.000 2.676 255 I HA -0.200 3.970 4.170 0.000 0.000 0.259 255 I C 2.531 178.657 176.117 0.015 0.000 1.194 255 I CA 0.992 62.302 61.300 0.017 0.000 1.473 255 I CB -0.412 37.602 38.000 0.024 0.000 1.096 255 I HN 0.257 nan 8.210 nan 0.000 0.443 256 Q N -0.596 119.214 119.800 0.017 0.000 2.167 256 Q HA -0.202 4.138 4.340 0.000 0.000 0.202 256 Q C 2.241 178.251 176.000 0.016 0.000 0.970 256 Q CA 1.177 56.989 55.803 0.016 0.000 0.855 256 Q CB -0.250 28.499 28.738 0.017 0.000 0.911 256 Q HN 0.395 nan 8.270 nan 0.000 0.438 257 L N 0.949 122.181 121.223 0.016 0.000 1.989 257 L HA -0.193 4.147 4.340 0.000 0.000 0.211 257 L C 2.026 178.906 176.870 0.017 0.000 1.071 257 L CA 1.692 56.542 54.840 0.017 0.000 0.749 257 L CB -0.392 41.674 42.059 0.013 0.000 0.890 257 L HN 0.160 nan 8.230 nan 0.000 0.431 258 I N -0.458 120.118 120.570 0.011 0.000 2.361 258 I HA -0.293 3.877 4.170 0.000 0.000 0.251 258 I C 2.536 178.659 176.117 0.010 0.000 1.133 258 I CA 1.098 62.402 61.300 0.008 0.000 1.413 258 I CB -0.707 37.293 38.000 -0.001 0.000 1.073 258 I HN 0.385 nan 8.210 nan 0.000 0.424 259 A N 0.156 122.982 122.820 0.010 0.000 1.872 259 A HA -0.143 4.177 4.320 0.000 0.000 0.214 259 A C 2.415 180.013 177.584 0.022 0.000 1.187 259 A CA 1.833 53.875 52.037 0.008 0.000 0.614 259 A CB -0.700 18.302 19.000 0.003 0.000 0.826 259 A HN 0.360 nan 8.150 nan 0.000 0.442 260 S N -0.415 115.303 115.700 0.030 0.000 2.547 260 S HA 0.014 4.484 4.470 0.000 0.000 0.235 260 S C 1.625 176.265 174.600 0.067 0.000 0.980 260 S CA 0.852 59.081 58.200 0.048 0.000 0.941 260 S CB -0.273 62.952 63.200 0.042 0.000 0.763 260 S HN 0.512 nan 8.310 nan 0.000 0.532 261 L N 0.882 122.140 121.223 0.058 0.000 2.084 261 L HA 0.088 4.428 4.340 0.000 0.000 0.202 261 L C 2.442 179.384 176.870 0.120 0.000 1.074 261 L CA 1.015 55.901 54.840 0.076 0.000 0.757 261 L CB -0.547 41.542 42.059 0.050 0.000 0.918 261 L HN 0.345 nan 8.230 nan 0.000 0.444 262 A N -0.296 122.568 122.820 0.074 0.000 2.015 262 A HA -0.149 4.171 4.320 0.000 0.000 0.219 262 A C 2.096 179.761 177.584 0.134 0.000 1.163 262 A CA 1.048 53.120 52.037 0.057 0.000 0.646 262 A CB -0.587 18.394 19.000 -0.030 0.000 0.806 262 A HN 0.464 nan 8.150 nan 0.000 0.448 263 L N -0.560 120.740 121.223 0.129 0.000 2.095 263 L HA 0.005 4.345 4.340 0.000 0.000 0.204 263 L C 2.522 179.555 176.870 0.272 0.000 1.080 263 L CA 2.158 57.105 54.840 0.178 0.000 0.759 263 L CB -1.186 40.934 42.059 0.102 0.000 0.914 263 L HN 0.377 nan 8.230 nan 0.000 0.439 264 A N -0.936 122.013 122.820 0.215 0.000 2.014 264 A HA -0.239 4.081 4.320 0.000 0.000 0.218 264 A C 2.058 179.779 177.584 0.228 0.000 1.163 264 A CA 1.019 53.172 52.037 0.194 0.000 0.652 264 A CB -0.838 18.236 19.000 0.124 0.000 0.808 264 A HN 0.468 nan 8.150 nan 0.000 0.449 265 F N 0.543 120.551 119.950 0.098 0.000 2.216 265 F HA -0.112 4.415 4.527 0.000 0.000 0.300 265 F C 2.131 178.023 175.800 0.153 0.000 1.085 265 F CA 1.504 59.567 58.000 0.104 0.000 1.326 265 F CB -0.146 38.884 39.000 0.050 0.000 1.027 265 F HN 0.036 nan 8.300 nan 0.000 0.497 266 V N -0.168 120.016 119.914 0.451 0.000 2.427 266 V HA -0.265 3.855 4.120 0.000 0.000 0.248 266 V C 2.336 178.551 176.094 0.202 0.000 1.051 266 V CA 1.459 63.966 62.300 0.345 0.000 1.048 266 V CB -0.647 31.403 31.823 0.380 0.000 0.666 266 V HN 0.251 nan 8.190 nan 0.000 0.456 267 L N -1.167 120.155 121.223 0.165 0.000 2.141 267 L HA -0.157 4.183 4.340 0.000 0.000 0.209 267 L C 2.274 179.200 176.870 0.093 0.000 1.094 267 L CA 1.835 56.702 54.840 0.044 0.000 0.763 267 L CB -0.847 41.236 42.059 0.040 0.000 0.908 267 L HN 0.464 nan 8.230 nan 0.000 0.437 268 Y N -0.170 120.132 120.300 0.004 0.000 2.314 268 Y HA -0.081 4.469 4.550 0.000 0.000 0.293 268 Y C 2.134 178.073 175.900 0.065 0.000 1.129 268 Y CA 1.057 59.157 58.100 -0.001 0.000 1.201 268 Y CB -0.065 38.281 38.460 -0.190 0.000 0.999 268 Y HN 0.097 nan 8.280 nan 0.000 0.541 269 A N -0.821 122.013 122.820 0.024 0.000 2.307 269 A HA 0.492 4.812 4.320 0.000 0.000 0.218 269 A C 1.839 179.429 177.584 0.010 0.000 1.228 269 A CA 0.612 52.646 52.037 -0.004 0.000 0.857 269 A CB -0.831 18.244 19.000 0.125 0.000 0.897 269 A HN 0.462 nan 8.150 nan 0.000 0.495 270 A N -1.416 121.397 122.820 -0.011 0.000 2.197 270 A HA 0.266 4.586 4.320 0.000 0.000 0.210 270 A C 2.026 179.541 177.584 -0.115 0.000 1.180 270 A CA 1.150 53.153 52.037 -0.057 0.000 0.846 270 A CB -0.238 18.706 19.000 -0.092 0.000 0.884 270 A HN 0.389 nan 8.150 nan 0.000 0.487 271 S N -1.585 114.028 115.700 -0.146 0.000 2.458 271 S HA 0.136 4.606 4.470 0.000 0.000 0.223 271 S C 1.206 175.446 174.600 -0.601 0.000 1.019 271 S CA 1.007 58.984 58.200 -0.372 0.000 0.937 271 S CB -0.239 62.695 63.200 -0.443 0.000 0.788 271 S HN 0.461 nan 8.310 nan 0.000 0.511 272 F N 0.676 120.487 119.950 -0.231 0.000 2.537 272 F HA 0.396 4.923 4.527 0.000 0.000 0.275 272 F C -1.193 174.523 175.800 -0.141 0.000 0.947 272 F CA -0.335 57.545 58.000 -0.201 0.000 1.238 272 F CB -1.349 37.482 39.000 -0.282 0.000 1.071 272 F HN 0.034 nan 8.300 nan 0.000 0.749 273 P HA -0.112 nan 4.420 nan 0.000 0.219 273 P C 1.784 179.085 177.300 0.003 0.000 1.150 273 P CA 1.821 64.935 63.100 0.022 0.000 0.814 273 P CB 0.068 31.775 31.700 0.011 0.000 0.787 274 S N -0.960 114.729 115.700 -0.019 0.000 2.436 274 S HA -0.031 4.439 4.470 0.000 0.000 0.228 274 S C 1.211 175.788 174.600 -0.038 0.000 1.014 274 S CA 0.513 58.697 58.200 -0.027 0.000 0.950 274 S CB -0.679 62.494 63.200 -0.045 0.000 0.784 274 S HN -0.146 nan 8.310 nan 0.000 0.504 275 V N 2.860 122.740 119.914 -0.057 0.000 3.099 275 V HA 0.375 4.495 4.120 0.000 0.000 0.387 275 V C 0.520 176.598 176.094 -0.027 0.000 1.358 275 V CA 0.271 62.531 62.300 -0.066 0.000 1.528 275 V CB 0.040 31.784 31.823 -0.132 0.000 1.342 275 V HN 0.594 nan 8.190 nan 0.000 0.513 276 M N -0.012 119.582 119.600 -0.009 0.000 4.816 276 M HA 0.173 4.653 4.480 0.000 0.000 0.611 276 M C -0.152 176.156 176.300 0.013 0.000 2.092 276 M CA 0.325 55.631 55.300 0.009 0.000 0.523 276 M CB -0.148 32.466 32.600 0.023 0.000 1.584 276 M HN 0.455 nan 8.290 nan 0.000 0.657 277 D N 0.904 121.306 120.400 0.003 0.000 3.301 277 D HA -0.243 4.397 4.640 0.000 0.000 0.217 277 D C 0.764 177.076 176.300 0.021 0.000 1.548 277 D CA 2.523 56.528 54.000 0.009 0.000 1.118 277 D CB -1.096 39.712 40.800 0.014 0.000 0.684 277 D HN 0.441 nan 8.370 nan 0.000 0.821 278 S N -2.977 112.743 115.700 0.033 0.000 2.378 278 S HA -0.290 4.180 4.470 0.000 0.000 0.240 278 S C 0.986 175.608 174.600 0.036 0.000 1.229 278 S CA 1.712 59.944 58.200 0.054 0.000 1.607 278 S CB -0.999 62.245 63.200 0.074 0.000 2.074 278 S HN 0.443 nan 8.310 nan 0.000 0.620 279 L N 0.259 121.493 121.223 0.018 0.000 2.641 279 L HA 0.152 4.492 4.340 0.000 0.000 0.207 279 L C 1.358 178.235 176.870 0.011 0.000 1.049 279 L CA 0.827 55.675 54.840 0.013 0.000 0.866 279 L CB -0.281 41.784 42.059 0.009 0.000 1.264 279 L HN 0.656 nan 8.230 nan 0.000 0.483 280 T N -0.967 113.588 114.554 0.003 0.000 0.542 280 T HA -0.385 3.965 4.350 0.000 0.000 0.774 280 T C 0.668 175.370 174.700 0.003 0.000 0.992 280 T CA 0.387 62.487 62.100 -0.000 0.000 4.076 280 T CB -0.985 67.886 68.868 0.006 0.000 2.303 280 T HN 0.319 nan 8.240 nan 0.000 0.398 281 A N 0.478 123.301 122.820 0.005 0.000 2.337 281 A HA 0.640 4.960 4.320 0.000 0.000 0.227 281 A C 2.010 179.612 177.584 0.030 0.000 1.259 281 A CA 1.075 53.119 52.037 0.010 0.000 0.870 281 A CB -0.914 18.088 19.000 0.003 0.000 0.927 281 A HN 1.494 nan 8.150 nan 0.000 0.497 282 G N -1.425 107.397 108.800 0.036 0.000 2.742 282 G HA2 0.092 4.052 3.960 0.000 0.000 0.204 282 G HA3 0.092 4.052 3.960 0.000 0.000 0.204 282 G C 1.308 176.257 174.900 0.081 0.000 1.126 282 G CA 1.129 46.261 45.100 0.054 0.000 0.829 282 G HN 0.342 nan 8.290 nan 0.000 0.574 283 T N 1.370 115.961 114.554 0.062 0.000 3.035 283 T HA 0.139 4.489 4.350 0.000 0.000 0.259 283 T C 1.823 176.590 174.700 0.111 0.000 1.078 283 T CA 0.021 62.169 62.100 0.079 0.000 1.132 283 T CB 0.172 69.045 68.868 0.007 0.000 0.900 283 T HN 0.081 nan 8.240 nan 0.000 0.480 284 I N 2.235 122.851 120.570 0.076 0.000 3.605 284 I HA 0.037 4.207 4.170 0.000 0.000 0.301 284 I C 0.834 177.017 176.117 0.111 0.000 1.267 284 I CA 0.828 62.170 61.300 0.070 0.000 1.236 284 I CB -0.888 37.108 38.000 -0.007 0.000 1.010 284 I HN 0.190 nan 8.210 nan 0.000 0.491 285 T N -1.108 113.532 114.554 0.144 0.000 3.098 285 T HA 0.096 4.446 4.350 0.000 0.000 0.246 285 T C 1.714 176.525 174.700 0.185 0.000 0.983 285 T CA 0.343 62.541 62.100 0.162 0.000 1.094 285 T CB 0.446 69.377 68.868 0.105 0.000 1.035 285 T HN 0.071 nan 8.240 nan 0.000 0.456 286 V N 1.505 121.527 119.914 0.181 0.000 2.599 286 V HA 0.029 4.149 4.120 0.000 0.000 0.245 286 V C 2.504 178.708 176.094 0.184 0.000 1.046 286 V CA 0.877 63.278 62.300 0.168 0.000 1.065 286 V CB -0.278 31.677 31.823 0.221 0.000 0.703 286 V HN 0.245 nan 8.190 nan 0.000 0.464 287 V N -0.488 119.590 119.914 0.275 0.000 2.548 287 V HA -0.168 3.952 4.120 0.000 0.000 0.249 287 V C 2.086 178.297 176.094 0.196 0.000 1.055 287 V CA 2.028 64.483 62.300 0.258 0.000 1.065 287 V CB -0.531 31.443 31.823 0.252 0.000 0.681 287 V HN 0.598 nan 8.190 nan 0.000 0.462 288 F N 0.537 120.532 119.950 0.074 0.000 2.270 288 F HA -0.021 4.506 4.527 0.000 0.000 0.295 288 F C 2.611 178.435 175.800 0.039 0.000 1.087 288 F CA 1.479 59.512 58.000 0.055 0.000 1.365 288 F CB -0.267 38.764 39.000 0.052 0.000 1.056 288 F HN 0.081 nan 8.300 nan 0.000 0.506 289 S N -1.116 114.576 115.700 -0.013 0.000 2.383 289 S HA -0.191 4.279 4.470 0.000 0.000 0.227 289 S C 2.329 176.839 174.600 -0.150 0.000 1.026 289 S CA 1.559 59.688 58.200 -0.118 0.000 0.981 289 S CB -0.834 62.373 63.200 0.011 0.000 0.818 289 S HN 0.451 nan 8.310 nan 0.000 0.472 290 S N -0.146 115.502 115.700 -0.088 0.000 2.453 290 S HA -0.005 4.465 4.470 0.000 0.000 0.231 290 S C 1.747 176.285 174.600 -0.104 0.000 1.005 290 S CA 1.204 59.349 58.200 -0.093 0.000 0.949 290 S CB -0.369 62.779 63.200 -0.087 0.000 0.774 290 S HN 0.598 nan 8.310 nan 0.000 0.510 291 M N 1.199 120.717 119.600 -0.137 0.000 2.115 291 M HA 0.243 4.723 4.480 0.000 0.000 0.261 291 M C 1.734 177.918 176.300 -0.193 0.000 1.079 291 M CA 1.442 56.661 55.300 -0.136 0.000 1.143 291 M CB -0.421 32.111 32.600 -0.114 0.000 1.332 291 M HN 0.346 nan 8.290 nan 0.000 0.421 292 I N 0.105 120.463 120.570 -0.354 0.000 2.850 292 I HA -0.186 3.984 4.170 0.000 0.000 0.266 292 I C 1.663 177.676 176.117 -0.173 0.000 1.257 292 I CA 1.160 62.278 61.300 -0.303 0.000 1.465 292 I CB -0.256 37.467 38.000 -0.461 0.000 1.091 292 I HN 0.430 nan 8.210 nan 0.000 0.467 293 A N 0.448 123.179 122.820 -0.149 0.000 1.862 293 A HA -0.110 4.210 4.320 0.000 0.000 0.211 293 A C 2.028 179.571 177.584 -0.068 0.000 1.220 293 A CA 0.490 52.470 52.037 -0.095 0.000 0.616 293 A CB -0.808 18.139 19.000 -0.089 0.000 0.878 293 A HN 0.375 nan 8.150 nan 0.000 0.453 294 L N 0.460 121.644 121.223 -0.064 0.000 2.129 294 L HA -0.202 4.138 4.340 0.000 0.000 0.212 294 L C 2.321 179.175 176.870 -0.025 0.000 1.087 294 L CA 2.877 57.696 54.840 -0.036 0.000 0.757 294 L CB -0.748 41.299 42.059 -0.020 0.000 0.896 294 L HN 0.578 nan 8.230 nan 0.000 0.434 295 M N -1.835 117.742 119.600 -0.037 0.000 2.460 295 M HA -0.069 4.411 4.480 0.000 0.000 0.263 295 M C 2.069 178.357 176.300 -0.020 0.000 1.071 295 M CA 1.528 56.813 55.300 -0.025 0.000 1.096 295 M CB -0.956 31.626 32.600 -0.031 0.000 1.408 295 M HN 0.148 nan 8.290 nan 0.000 0.463 296 R N 1.516 122.000 120.500 -0.026 0.000 2.055 296 R HA 0.047 4.387 4.340 0.000 0.000 0.226 296 R C -0.749 175.544 176.300 -0.012 0.000 1.135 296 R CA 1.568 57.657 56.100 -0.019 0.000 0.959 296 R CB -1.851 28.434 30.300 -0.024 0.000 0.854 296 R HN 0.338 nan 8.270 nan 0.000 0.431 297 P HA -0.120 nan 4.420 nan 0.000 0.221 297 P C 1.743 179.040 177.300 -0.005 0.000 1.150 297 P CA 0.900 63.994 63.100 -0.009 0.000 0.800 297 P CB -0.135 31.558 31.700 -0.012 0.000 0.787 298 L N -0.073 121.148 121.223 -0.002 0.000 2.131 298 L HA 0.037 4.377 4.340 0.000 0.000 0.206 298 L C 1.875 178.746 176.870 0.001 0.000 1.087 298 L CA 1.382 56.223 54.840 0.002 0.000 0.767 298 L CB -0.417 41.646 42.059 0.006 0.000 0.917 298 L HN -0.229 nan 8.230 nan 0.000 0.441 299 K N -0.732 119.669 120.400 0.002 0.000 2.591 299 K HA 0.001 4.321 4.320 0.000 0.000 0.197 299 K C 1.301 177.905 176.600 0.007 0.000 1.026 299 K CA 0.456 56.747 56.287 0.007 0.000 1.127 299 K CB 0.285 32.789 32.500 0.007 0.000 0.871 299 K HN 0.285 nan 8.250 nan 0.000 0.507 300 S N 0.233 115.934 115.700 0.002 0.000 2.830 300 S HA 0.013 4.483 4.470 0.000 0.000 0.249 300 S C 1.456 176.053 174.600 -0.005 0.000 1.084 300 S CA -0.272 57.928 58.200 -0.000 0.000 0.852 300 S CB 0.070 63.269 63.200 -0.003 0.000 0.802 300 S HN 0.265 nan 8.310 nan 0.000 0.481 301 L N 2.315 123.532 121.223 -0.011 0.000 2.261 301 L HA 0.023 4.363 4.340 0.000 0.000 0.216 301 L C 2.326 179.182 176.870 -0.023 0.000 1.114 301 L CA 2.393 57.218 54.840 -0.025 0.000 0.777 301 L CB -0.989 41.051 42.059 -0.032 0.000 0.910 301 L HN 0.493 nan 8.230 nan 0.000 0.440 302 T N -1.126 113.427 114.554 -0.001 0.000 2.732 302 T HA -0.195 4.155 4.350 0.000 0.000 0.261 302 T C 1.946 176.655 174.700 0.014 0.000 1.040 302 T CA 1.450 63.564 62.100 0.023 0.000 1.145 302 T CB -0.414 68.482 68.868 0.047 0.000 0.866 302 T HN 0.558 nan 8.240 nan 0.000 0.427 303 N N 0.605 119.310 118.700 0.009 0.000 2.205 303 N HA -0.098 4.642 4.740 0.000 0.000 0.186 303 N C 1.930 177.413 175.510 -0.044 0.000 1.015 303 N CA 1.471 54.517 53.050 -0.007 0.000 0.862 303 N CB -0.374 38.115 38.487 0.005 0.000 0.986 303 N HN 0.392 nan 8.380 nan 0.000 0.429 304 V N 1.457 121.351 119.914 -0.033 0.000 2.878 304 V HA -0.050 4.070 4.120 0.000 0.000 0.250 304 V C 2.282 178.356 176.094 -0.033 0.000 1.075 304 V CA 0.991 63.274 62.300 -0.029 0.000 1.096 304 V CB -0.733 31.087 31.823 -0.006 0.000 0.724 304 V HN 0.369 nan 8.190 nan 0.000 0.467 305 N N 1.212 119.881 118.700 -0.052 0.000 2.094 305 N HA -0.225 4.515 4.740 0.000 0.000 0.191 305 N C 1.812 177.254 175.510 -0.114 0.000 1.023 305 N CA 2.039 55.059 53.050 -0.051 0.000 0.857 305 N CB -0.161 38.299 38.487 -0.044 0.000 1.013 305 N HN 0.550 nan 8.380 nan 0.000 0.426 306 A N 1.053 123.660 122.820 -0.356 0.000 1.852 306 A HA -0.282 4.039 4.320 0.000 0.000 0.217 306 A C 2.223 179.591 177.584 -0.360 0.000 1.215 306 A CA 2.381 53.939 52.037 -0.799 0.000 0.641 306 A CB -1.359 17.179 19.000 -0.770 0.000 0.838 306 A HN 0.509 nan 8.150 nan 0.000 0.450 307 Q N -1.300 118.389 119.800 -0.186 0.000 2.173 307 Q HA -0.212 4.128 4.340 0.000 0.000 0.208 307 Q C 1.707 177.692 176.000 -0.025 0.000 0.989 307 Q CA 2.373 58.123 55.803 -0.088 0.000 0.872 307 Q CB -0.631 28.076 28.738 -0.051 0.000 0.909 307 Q HN 0.668 nan 8.270 nan 0.000 0.420 308 F N 0.196 120.083 119.950 -0.106 0.000 2.171 308 F HA -0.202 4.325 4.527 0.000 0.000 0.300 308 F C 1.919 177.706 175.800 -0.022 0.000 1.090 308 F CA 1.561 59.530 58.000 -0.053 0.000 1.293 308 F CB -0.162 38.813 39.000 -0.041 0.000 1.013 308 F HN 0.120 nan 8.300 nan 0.000 0.486 309 Q N 0.482 120.432 119.800 0.250 0.000 1.990 309 Q HA -0.215 4.125 4.340 0.000 0.000 0.200 309 Q C 2.412 178.434 176.000 0.037 0.000 0.980 309 Q CA 1.728 57.654 55.803 0.206 0.000 0.832 309 Q CB -0.916 27.945 28.738 0.205 0.000 0.897 309 Q HN 0.447 nan 8.270 nan 0.000 0.427 310 R N -0.045 120.448 120.500 -0.012 0.000 2.159 310 R HA -0.230 4.110 4.340 0.000 0.000 0.249 310 R C 2.238 178.502 176.300 -0.059 0.000 1.136 310 R CA 2.104 58.194 56.100 -0.017 0.000 0.951 310 R CB -0.732 29.544 30.300 -0.040 0.000 0.876 310 R HN 0.389 nan 8.270 nan 0.000 0.440 311 G N 0.064 108.784 108.800 -0.135 0.000 2.394 311 G HA2 -0.255 3.705 3.960 0.000 0.000 0.214 311 G HA3 -0.255 3.705 3.960 0.000 0.000 0.214 311 G C 1.371 176.123 174.900 -0.246 0.000 1.176 311 G CA 0.598 45.578 45.100 -0.200 0.000 0.786 311 G HN 0.199 nan 8.290 nan 0.000 0.533 312 M N 1.656 121.074 119.600 -0.303 0.000 2.073 312 M HA -0.060 4.420 4.480 0.000 0.000 0.258 312 M C 2.863 179.060 176.300 -0.172 0.000 1.070 312 M CA 1.918 57.065 55.300 -0.255 0.000 1.103 312 M CB -1.113 31.456 32.600 -0.052 0.000 1.321 312 M HN 0.296 nan 8.290 nan 0.000 0.405 313 A N -0.185 122.592 122.820 -0.071 0.000 1.892 313 A HA -0.117 4.203 4.320 0.000 0.000 0.218 313 A C 2.378 179.915 177.584 -0.078 0.000 1.188 313 A CA 2.844 54.854 52.037 -0.044 0.000 0.631 313 A CB -1.319 17.694 19.000 0.023 0.000 0.822 313 A HN 0.628 nan 8.150 nan 0.000 0.447 314 A N -0.792 121.981 122.820 -0.078 0.000 1.892 314 A HA -0.263 4.057 4.320 0.000 0.000 0.218 314 A C 2.484 179.986 177.584 -0.138 0.000 1.188 314 A CA 2.041 54.037 52.037 -0.069 0.000 0.631 314 A CB -1.625 17.340 19.000 -0.059 0.000 0.822 314 A HN 1.125 nan 8.150 nan 0.000 0.447 315 C N -0.838 118.303 119.300 -0.264 0.000 2.388 315 C HA -0.206 4.254 4.460 0.000 0.000 0.277 315 C C 2.685 177.402 174.990 -0.455 0.000 1.210 315 C CA 1.970 60.696 59.018 -0.487 0.000 1.743 315 C CB -1.402 25.863 27.740 -0.793 0.000 2.047 315 C HN 0.641 nan 8.230 nan 0.000 0.458 316 Q N 0.430 120.012 119.800 -0.364 0.000 2.181 316 Q HA -0.116 4.224 4.340 0.000 0.000 0.205 316 Q C 2.268 178.277 176.000 0.016 0.000 0.980 316 Q CA 2.265 58.002 55.803 -0.111 0.000 0.862 316 Q CB -1.273 27.404 28.738 -0.102 0.000 0.905 316 Q HN 0.783 nan 8.270 nan 0.000 0.429 317 T N 2.070 116.616 114.554 -0.013 0.000 2.588 317 T HA -0.135 4.215 4.350 0.000 0.000 0.261 317 T C 1.799 176.536 174.700 0.062 0.000 1.069 317 T CA 1.650 63.765 62.100 0.026 0.000 1.172 317 T CB -0.360 68.521 68.868 0.021 0.000 0.863 317 T HN 0.393 nan 8.240 nan 0.000 0.408 318 L N -0.572 120.687 121.223 0.061 0.000 2.465 318 L HA 0.297 4.637 4.340 0.000 0.000 0.224 318 L C 2.020 178.991 176.870 0.169 0.000 1.145 318 L CA 1.142 56.041 54.840 0.098 0.000 0.834 318 L CB -1.485 40.623 42.059 0.082 0.000 0.944 318 L HN 0.199 nan 8.230 nan 0.000 0.451 319 F N 0.787 120.716 119.950 -0.035 0.000 2.102 319 F HA -0.209 4.318 4.527 0.000 0.000 0.298 319 F C 2.608 178.368 175.800 -0.067 0.000 1.105 319 F CA 0.726 58.690 58.000 -0.059 0.000 1.239 319 F CB 0.042 39.000 39.000 -0.070 0.000 0.991 319 F HN 0.304 nan 8.300 nan 0.000 0.474 320 A N 0.155 123.072 122.820 0.162 0.000 1.858 320 A HA -0.229 4.091 4.320 0.000 0.000 0.216 320 A C 1.888 179.492 177.584 0.034 0.000 1.190 320 A CA 1.549 53.620 52.037 0.056 0.000 0.617 320 A CB -1.076 17.957 19.000 0.056 0.000 0.827 320 A HN 0.372 nan 8.150 nan 0.000 0.443 321 I N -0.431 120.183 120.570 0.072 0.000 2.315 321 I HA -0.232 3.938 4.170 0.000 0.000 0.251 321 I C 2.219 178.393 176.117 0.096 0.000 1.125 321 I CA 1.150 62.514 61.300 0.106 0.000 1.392 321 I CB -0.097 37.986 38.000 0.138 0.000 1.065 321 I HN 0.439 nan 8.210 nan 0.000 0.424 322 L N -0.691 120.516 121.223 -0.027 0.000 2.209 322 L HA -0.112 4.228 4.340 0.000 0.000 0.207 322 L C 1.903 178.473 176.870 -0.500 0.000 1.094 322 L CA 1.217 55.847 54.840 -0.350 0.000 0.790 322 L CB -0.407 41.533 42.059 -0.198 0.000 0.932 322 L HN 0.206 nan 8.230 nan 0.000 0.447 323 D N -0.280 119.984 120.400 -0.226 0.000 2.378 323 D HA -0.086 4.554 4.640 0.000 0.000 0.227 323 D C 1.150 177.378 176.300 -0.121 0.000 1.012 323 D CA 0.118 54.004 54.000 -0.190 0.000 0.905 323 D CB 0.258 40.974 40.800 -0.140 0.000 0.895 323 D HN 0.242 nan 8.370 nan 0.000 0.532 324 S N 0.151 115.812 115.700 -0.065 0.000 2.611 324 S HA -0.099 4.371 4.470 0.000 0.000 0.252 324 S C 0.047 174.649 174.600 0.004 0.000 1.369 324 S CA -0.259 57.940 58.200 -0.002 0.000 0.975 324 S CB 0.462 63.689 63.200 0.046 0.000 0.937 324 S HN 0.274 nan 8.310 nan 0.000 0.584 325 E N 1.508 121.679 120.200 -0.048 0.000 2.167 325 E HA 0.210 4.560 4.350 0.000 0.000 0.284 325 E C -0.779 175.780 176.600 -0.068 0.000 1.016 325 E CA -0.788 55.583 56.400 -0.048 0.000 0.817 325 E CB 0.488 30.149 29.700 -0.065 0.000 1.080 325 E HN 0.383 nan 8.360 nan 0.000 0.397 326 Q N 3.244 123.041 119.800 -0.005 0.000 2.371 326 Q HA -0.055 4.285 4.340 0.000 0.000 0.254 326 Q C -0.043 175.920 176.000 -0.062 0.000 1.264 326 Q CA 0.539 56.325 55.803 -0.028 0.000 0.904 326 Q CB 0.220 28.969 28.738 0.018 0.000 1.507 326 Q HN 0.704 nan 8.270 nan 0.000 0.495 327 E N 1.521 121.655 120.200 -0.110 0.000 2.501 327 E HA -0.167 4.183 4.350 0.000 0.000 0.203 327 E C -0.028 176.552 176.600 -0.033 0.000 1.072 327 E CA 0.537 56.894 56.400 -0.073 0.000 0.885 327 E CB -0.031 29.617 29.700 -0.086 0.000 0.813 327 E HN 0.396 nan 8.360 nan 0.000 0.556 328 K N 1.414 121.796 120.400 -0.031 0.000 2.333 328 K HA 0.182 4.502 4.320 0.000 0.000 0.241 328 K C -0.963 175.630 176.600 -0.012 0.000 1.193 328 K CA -0.478 55.799 56.287 -0.017 0.000 1.142 328 K CB 0.270 32.761 32.500 -0.015 0.000 1.731 328 K HN -0.207 nan 8.250 nan 0.000 0.344 329 D N 2.173 122.568 120.400 -0.008 0.000 2.449 329 D HA 0.023 4.663 4.640 0.000 0.000 0.236 329 D C -0.003 176.295 176.300 -0.003 0.000 1.149 329 D CA 0.538 54.535 54.000 -0.004 0.000 0.878 329 D CB 0.620 41.422 40.800 0.002 0.000 1.198 329 D HN 0.349 nan 8.370 nan 0.000 0.446 330 E N 0.043 120.242 120.200 -0.002 0.000 2.256 330 E HA 0.545 4.895 4.350 0.000 0.000 0.267 330 E C 0.417 177.016 176.600 -0.001 0.000 0.892 330 E CA -0.814 55.585 56.400 -0.001 0.000 0.775 330 E CB 2.088 31.786 29.700 -0.003 0.000 1.207 330 E HN 0.452 nan 8.360 nan 0.000 0.420 331 G N 0.886 109.688 108.800 0.004 0.000 3.365 331 G HA2 0.315 4.275 3.960 0.000 0.000 0.185 331 G HA3 0.315 4.275 3.960 0.000 0.000 0.185 331 G C 0.355 175.243 174.900 -0.019 0.000 1.565 331 G CA 0.157 45.254 45.100 -0.005 0.000 0.984 331 G HN 0.405 nan 8.290 nan 0.000 0.604 332 K N -1.474 118.903 120.400 -0.038 0.000 3.105 332 K HA 0.153 4.473 4.320 0.000 0.000 0.209 332 K C 0.447 177.007 176.600 -0.067 0.000 1.828 332 K CA -0.438 55.819 56.287 -0.050 0.000 1.382 332 K CB 0.537 32.998 32.500 -0.065 0.000 2.153 332 K HN 0.088 nan 8.250 nan 0.000 0.588 333 R N 2.434 122.844 120.500 -0.150 0.000 2.473 333 R HA 0.086 4.426 4.340 0.000 0.000 0.315 333 R C -0.515 175.775 176.300 -0.016 0.000 0.972 333 R CA 0.027 56.000 56.100 -0.212 0.000 1.047 333 R CB 0.652 30.611 30.300 -0.568 0.000 0.932 333 R HN -0.038 nan 8.270 nan 0.000 0.411 334 V N 6.432 126.369 119.914 0.039 0.000 2.328 334 V HA 0.344 4.464 4.120 0.000 0.000 0.278 334 V C -0.539 175.636 176.094 0.135 0.000 1.021 334 V CA -0.853 61.517 62.300 0.117 0.000 0.838 334 V CB 1.118 32.970 31.823 0.049 0.000 0.999 334 V HN 0.564 nan 8.190 nan 0.000 0.447 335 I N 5.006 125.703 120.570 0.212 0.000 2.607 335 I HA 0.545 4.715 4.170 0.000 0.000 0.305 335 I C 0.608 176.753 176.117 0.046 0.000 0.995 335 I CA 0.156 61.546 61.300 0.151 0.000 1.148 335 I CB 2.258 40.409 38.000 0.251 0.000 1.323 335 I HN 0.794 nan 8.210 nan 0.000 0.461 336 D N 2.710 123.130 120.400 0.034 0.000 2.470 336 D HA 0.087 4.727 4.640 0.000 0.000 0.238 336 D C 0.587 176.889 176.300 0.003 0.000 1.054 336 D CA 0.126 54.133 54.000 0.012 0.000 0.896 336 D CB 0.306 41.116 40.800 0.015 0.000 1.118 336 D HN 0.317 nan 8.370 nan 0.000 0.497 337 R N 0.137 120.645 120.500 0.015 0.000 2.528 337 R HA 0.672 5.012 4.340 0.000 0.000 0.271 337 R C -0.384 175.915 176.300 -0.002 0.000 1.056 337 R CA 0.256 56.362 56.100 0.010 0.000 1.117 337 R CB 1.216 31.530 30.300 0.024 0.000 1.085 337 R HN -0.034 nan 8.270 nan 0.000 0.530 338 A N 1.893 124.707 122.820 -0.010 0.000 2.596 338 A HA 0.145 4.465 4.320 0.000 0.000 0.276 338 A C -0.176 177.398 177.584 -0.017 0.000 0.962 338 A CA 0.212 52.233 52.037 -0.027 0.000 1.010 338 A CB -0.494 18.471 19.000 -0.058 0.000 1.220 338 A HN 0.836 nan 8.150 nan 0.000 0.549 339 T N 1.124 115.677 114.554 -0.002 0.000 2.240 339 T HA -0.014 4.336 4.350 0.000 0.000 0.188 339 T C 0.918 175.613 174.700 -0.009 0.000 1.092 339 T CA 0.988 63.088 62.100 -0.001 0.000 1.595 339 T CB -0.647 68.227 68.868 0.011 0.000 1.014 339 T HN 1.173 nan 8.240 nan 0.000 0.439 340 G N 4.410 113.198 108.800 -0.019 0.000 2.843 340 G HA2 0.178 4.138 3.960 0.000 0.000 0.275 340 G HA3 0.178 4.138 3.960 0.000 0.000 0.275 340 G C 0.136 175.023 174.900 -0.022 0.000 0.709 340 G CA -0.452 44.630 45.100 -0.030 0.000 2.089 340 G HN 0.878 nan 8.290 nan 0.000 0.571 341 D N 1.656 122.049 120.400 -0.011 0.000 2.563 341 D HA 0.146 4.786 4.640 0.000 0.000 0.222 341 D C 0.584 176.882 176.300 -0.004 0.000 1.145 341 D CA -0.512 53.488 54.000 0.000 0.000 1.001 341 D CB 0.098 40.906 40.800 0.014 0.000 1.049 341 D HN 0.290 nan 8.370 nan 0.000 0.515 342 L N 2.252 123.460 121.223 -0.026 0.000 2.367 342 L HA 0.394 4.734 4.340 0.000 0.000 0.275 342 L C -0.735 176.129 176.870 -0.010 0.000 1.129 342 L CA 0.030 54.836 54.840 -0.056 0.000 0.839 342 L CB 0.382 42.375 42.059 -0.110 0.000 1.133 342 L HN 0.259 nan 8.230 nan 0.000 0.453 343 E N 6.728 126.940 120.200 0.021 0.000 2.347 343 E HA 0.417 4.767 4.350 0.000 0.000 0.285 343 E C -1.633 175.137 176.600 0.284 0.000 0.925 343 E CA -0.493 55.992 56.400 0.140 0.000 0.779 343 E CB 1.896 31.658 29.700 0.103 0.000 1.233 343 E HN 0.588 nan 8.360 nan 0.000 0.414 344 F N -0.409 119.563 119.950 0.037 0.000 2.604 344 F HA 0.753 5.280 4.527 0.000 0.000 0.316 344 F C -1.288 174.542 175.800 0.050 0.000 1.136 344 F CA -1.289 56.743 58.000 0.054 0.000 0.989 344 F CB 1.345 40.375 39.000 0.050 0.000 1.258 344 F HN 0.168 nan 8.300 nan 0.000 0.451 345 R N 1.976 122.511 120.500 0.059 0.000 2.664 345 R HA 0.337 4.677 4.340 0.000 0.000 0.286 345 R C -0.237 176.023 176.300 -0.068 0.000 0.967 345 R CA -0.843 55.222 56.100 -0.058 0.000 0.933 345 R CB 0.836 31.132 30.300 -0.007 0.000 1.146 345 R HN 0.892 nan 8.270 nan 0.000 0.468 346 N N -1.351 117.284 118.700 -0.108 0.000 2.685 346 N HA -0.194 4.546 4.740 0.000 0.000 0.251 346 N C -0.990 174.494 175.510 -0.043 0.000 1.020 346 N CA 0.761 53.769 53.050 -0.071 0.000 0.762 346 N CB -1.679 36.792 38.487 -0.026 0.000 0.958 346 N HN 0.268 nan 8.380 nan 0.000 0.539 347 V N -0.265 119.586 119.914 -0.105 0.000 2.470 347 V HA 0.265 4.385 4.120 0.000 0.000 0.276 347 V C 0.964 177.059 176.094 0.001 0.000 1.040 347 V CA -0.016 62.270 62.300 -0.023 0.000 1.008 347 V CB 0.973 32.776 31.823 -0.033 0.000 0.990 347 V HN 0.452 nan 8.190 nan 0.000 0.477 348 T N 5.777 120.367 114.554 0.059 0.000 2.925 348 T HA 0.737 5.087 4.350 0.000 0.000 0.285 348 T C -0.895 173.903 174.700 0.162 0.000 1.021 348 T CA -0.263 61.881 62.100 0.073 0.000 1.042 348 T CB 1.515 70.405 68.868 0.036 0.000 1.037 348 T HN 0.495 nan 8.240 nan 0.000 0.481 349 F N 0.812 120.739 119.950 -0.039 0.000 2.650 349 F HA 0.578 5.106 4.527 0.000 0.000 0.310 349 F C -0.667 175.077 175.800 -0.094 0.000 1.112 349 F CA -0.359 57.595 58.000 -0.077 0.000 0.986 349 F CB 2.048 40.980 39.000 -0.114 0.000 1.285 349 F HN 0.607 nan 8.300 nan 0.000 0.440 350 T N 3.196 117.206 114.554 -0.907 0.000 2.864 350 T HA 0.486 4.836 4.350 0.000 0.000 0.299 350 T C -0.514 173.630 174.700 -0.926 0.000 1.166 350 T CA -0.111 61.675 62.100 -0.522 0.000 1.007 350 T CB 1.017 69.740 68.868 -0.242 0.000 1.219 350 T HN 0.564 nan 8.240 nan 0.000 0.506 351 Y N 1.743 121.881 120.300 -0.269 0.000 2.788 351 Y HA 0.331 4.881 4.550 0.000 0.000 0.224 351 Y C -1.475 174.400 175.900 -0.041 0.000 0.961 351 Y CA -0.122 57.916 58.100 -0.105 0.000 1.023 351 Y CB -0.619 37.862 38.460 0.036 0.000 1.053 351 Y HN 0.416 nan 8.280 nan 0.000 0.465 352 P HA 0.130 nan 4.420 nan 0.000 0.263 352 P C 0.400 177.730 177.300 0.050 0.000 1.601 352 P CA 1.012 64.189 63.100 0.129 0.000 1.161 352 P CB 0.169 31.946 31.700 0.127 0.000 1.730 353 G N 3.857 112.658 108.800 0.002 0.000 3.282 353 G HA2 -0.377 3.584 3.960 0.000 0.000 0.367 353 G HA3 -0.377 3.584 3.960 0.000 0.000 0.367 353 G C 0.670 175.553 174.900 -0.028 0.000 1.377 353 G CA 0.048 45.132 45.100 -0.026 0.000 1.254 353 G HN 0.595 nan 8.290 nan 0.000 0.717 354 R N 2.536 123.032 120.500 -0.006 0.000 2.408 354 R HA 0.472 4.812 4.340 0.000 0.000 0.308 354 R C 0.081 176.383 176.300 0.004 0.000 1.210 354 R CA 0.674 56.772 56.100 -0.004 0.000 1.115 354 R CB -0.165 30.136 30.300 0.001 0.000 1.127 354 R HN 0.745 nan 8.270 nan 0.000 0.523 355 E N 0.560 120.760 120.200 0.001 0.000 1.980 355 E HA 0.213 4.563 4.350 0.000 0.000 0.139 355 E C -1.655 174.950 176.600 0.008 0.000 1.408 355 E CA -0.761 55.646 56.400 0.011 0.000 0.911 355 E CB 1.007 30.723 29.700 0.026 0.000 2.060 355 E HN 0.139 nan 8.360 nan 0.000 0.556 356 V N 2.317 122.243 119.914 0.020 0.000 2.444 356 V HA 0.486 4.606 4.120 0.000 0.000 0.294 356 V C -2.631 173.484 176.094 0.036 0.000 1.022 356 V CA -2.182 60.131 62.300 0.021 0.000 0.850 356 V CB 1.323 33.161 31.823 0.024 0.000 0.992 356 V HN 0.382 nan 8.190 nan 0.000 0.426 357 P HA 0.060 nan 4.420 nan 0.000 0.259 357 P C 0.274 177.627 177.300 0.089 0.000 1.163 357 P CA 0.684 63.806 63.100 0.037 0.000 0.760 357 P CB 0.809 32.523 31.700 0.023 0.000 0.762 358 A N 3.927 126.841 122.820 0.158 0.000 2.275 358 A HA 0.231 4.551 4.320 0.000 0.000 0.212 358 A C 0.420 178.105 177.584 0.167 0.000 1.201 358 A CA 0.561 52.717 52.037 0.198 0.000 0.843 358 A CB -0.158 19.058 19.000 0.361 0.000 0.873 358 A HN 0.502 nan 8.150 nan 0.000 0.492 359 L N 0.107 121.424 121.223 0.156 0.000 2.562 359 L HA 0.376 4.716 4.340 0.000 0.000 0.266 359 L C -0.022 176.899 176.870 0.085 0.000 0.949 359 L CA -0.565 54.344 54.840 0.115 0.000 0.879 359 L CB 2.053 44.188 42.059 0.127 0.000 1.278 359 L HN 0.254 nan 8.230 nan 0.000 0.404 360 R N 0.910 121.436 120.500 0.044 0.000 2.596 360 R HA 0.366 4.706 4.340 0.000 0.000 0.216 360 R C 0.052 176.349 176.300 -0.005 0.000 1.348 360 R CA -1.038 55.075 56.100 0.023 0.000 1.009 360 R CB 0.354 30.663 30.300 0.015 0.000 1.947 360 R HN 0.481 nan 8.270 nan 0.000 0.526 361 N N 2.091 120.781 118.700 -0.015 0.000 2.380 361 N HA -0.034 4.706 4.740 0.000 0.000 0.292 361 N C -0.742 174.722 175.510 -0.076 0.000 1.302 361 N CA 0.794 53.820 53.050 -0.040 0.000 1.007 361 N CB 0.078 38.548 38.487 -0.028 0.000 1.408 361 N HN 0.221 nan 8.380 nan 0.000 0.487 362 I N 2.604 123.089 120.570 -0.140 0.000 2.389 362 I HA 0.251 4.421 4.170 0.000 0.000 0.288 362 I C 0.039 175.919 176.117 -0.395 0.000 0.999 362 I CA -0.574 60.590 61.300 -0.227 0.000 1.129 362 I CB 1.226 39.084 38.000 -0.235 0.000 1.288 362 I HN 0.186 nan 8.210 nan 0.000 0.444 363 N N 7.005 125.538 118.700 -0.280 0.000 2.321 363 N HA 0.726 5.466 4.740 0.000 0.000 0.299 363 N C -1.153 174.255 175.510 -0.169 0.000 1.048 363 N CA -0.593 52.306 53.050 -0.251 0.000 0.836 363 N CB 3.197 41.616 38.487 -0.114 0.000 1.269 363 N HN 0.351 nan 8.380 nan 0.000 0.486 364 L N 0.783 121.963 121.223 -0.071 0.000 2.643 364 L HA 0.385 4.725 4.340 0.000 0.000 0.256 364 L C -1.726 175.317 176.870 0.287 0.000 0.931 364 L CA -0.456 54.476 54.840 0.153 0.000 0.895 364 L CB 1.908 44.139 42.059 0.287 0.000 1.430 364 L HN 0.553 nan 8.230 nan 0.000 0.419 365 K N 4.650 125.152 120.400 0.169 0.000 2.443 365 K HA 0.709 5.029 4.320 0.000 0.000 0.252 365 K C -1.632 175.016 176.600 0.081 0.000 0.933 365 K CA -0.521 55.842 56.287 0.127 0.000 0.792 365 K CB 1.404 33.953 32.500 0.082 0.000 1.185 365 K HN 0.685 nan 8.250 nan 0.000 0.425 366 I N 6.304 126.905 120.570 0.052 0.000 2.555 366 I HA 0.268 4.438 4.170 0.000 0.000 0.275 366 I C -2.347 173.777 176.117 0.010 0.000 1.082 366 I CA -2.358 58.955 61.300 0.023 0.000 1.167 366 I CB 1.499 39.499 38.000 -0.000 0.000 1.312 366 I HN 0.359 nan 8.210 nan 0.000 0.493 367 P HA 0.077 nan 4.420 nan 0.000 0.271 367 P C 0.065 177.367 177.300 0.003 0.000 1.218 367 P CA -0.166 62.939 63.100 0.009 0.000 0.780 367 P CB 0.684 32.390 31.700 0.011 0.000 0.901 368 A N 3.136 125.956 122.820 0.001 0.000 2.609 368 A HA 0.293 4.613 4.320 0.000 0.000 0.232 368 A C 1.750 179.333 177.584 -0.002 0.000 1.041 368 A CA 1.116 53.152 52.037 -0.003 0.000 0.753 368 A CB -1.509 17.490 19.000 -0.001 0.000 0.966 368 A HN 0.890 nan 8.150 nan 0.000 0.510 369 G N 1.567 110.365 108.800 -0.004 0.000 2.435 369 G HA2 -0.306 3.654 3.960 0.000 0.000 0.245 369 G HA3 -0.306 3.654 3.960 0.000 0.000 0.245 369 G C 0.545 175.444 174.900 -0.002 0.000 1.073 369 G CA 0.992 46.090 45.100 -0.003 0.000 0.638 369 G HN 0.946 nan 8.290 nan 0.000 0.521 370 K N 1.064 121.464 120.400 -0.000 0.000 2.258 370 K HA 0.467 4.787 4.320 0.000 0.000 0.264 370 K C -0.333 176.268 176.600 0.002 0.000 1.007 370 K CA 0.607 56.895 56.287 0.002 0.000 0.941 370 K CB 0.538 33.042 32.500 0.005 0.000 0.966 370 K HN 0.152 nan 8.250 nan 0.000 0.480 371 T N 1.686 116.243 114.554 0.004 0.000 2.809 371 T HA 0.279 4.629 4.350 0.000 0.000 0.296 371 T C -0.573 174.133 174.700 0.011 0.000 1.015 371 T CA -0.689 61.414 62.100 0.005 0.000 0.954 371 T CB 0.876 69.747 68.868 0.005 0.000 0.950 371 T HN 0.150 nan 8.240 nan 0.000 0.450 372 V N 2.777 122.699 119.914 0.013 0.000 2.435 372 V HA 0.823 4.943 4.120 0.000 0.000 0.290 372 V C 0.295 176.405 176.094 0.026 0.000 1.030 372 V CA -0.898 61.417 62.300 0.024 0.000 0.881 372 V CB 1.469 33.310 31.823 0.031 0.000 0.983 372 V HN 1.023 nan 8.190 nan 0.000 0.445 373 A N 5.362 128.205 122.820 0.037 0.000 2.320 373 A HA 0.876 5.196 4.320 0.000 0.000 0.334 373 A C -1.014 176.601 177.584 0.051 0.000 1.147 373 A CA -0.623 51.439 52.037 0.041 0.000 0.820 373 A CB 1.126 20.157 19.000 0.052 0.000 1.218 373 A HN 0.645 nan 8.150 nan 0.000 0.482 374 L N 2.739 123.984 121.223 0.037 0.000 2.342 374 L HA 0.520 4.860 4.340 0.000 0.000 0.276 374 L C -0.881 176.003 176.870 0.023 0.000 0.997 374 L CA -0.157 54.705 54.840 0.037 0.000 0.838 374 L CB 0.774 42.847 42.059 0.022 0.000 1.224 374 L HN 0.503 nan 8.230 nan 0.000 0.416 375 V N 1.706 121.654 119.914 0.058 0.000 2.876 375 V HA 1.025 5.145 4.120 0.000 0.000 0.312 375 V C 0.252 176.395 176.094 0.082 0.000 1.085 375 V CA -0.558 61.780 62.300 0.063 0.000 0.945 375 V CB 2.019 33.892 31.823 0.083 0.000 1.017 375 V HN 0.895 nan 8.190 nan 0.000 0.428 376 G N 1.992 110.858 108.800 0.110 0.000 2.342 376 G HA2 0.397 4.357 3.960 0.000 0.000 0.297 376 G HA3 0.397 4.357 3.960 0.000 0.000 0.297 376 G C -1.499 173.495 174.900 0.156 0.000 1.313 376 G CA -1.132 44.031 45.100 0.105 0.000 0.830 376 G HN 0.564 nan 8.290 nan 0.000 0.506 377 R N 0.173 120.733 120.500 0.099 0.000 2.643 377 R HA 0.331 4.671 4.340 0.000 0.000 0.270 377 R C 0.884 177.261 176.300 0.128 0.000 1.061 377 R CA 0.315 56.468 56.100 0.088 0.000 1.107 377 R CB 0.904 31.230 30.300 0.043 0.000 0.999 377 R HN 0.481 nan 8.270 nan 0.000 0.460 378 S N 1.672 117.454 115.700 0.137 0.000 3.106 378 S HA 0.097 4.567 4.470 0.000 0.000 0.304 378 S C 0.869 175.516 174.600 0.079 0.000 1.118 378 S CA 0.807 59.105 58.200 0.163 0.000 1.403 378 S CB -0.655 62.618 63.200 0.122 0.000 1.555 378 S HN 0.840 nan 8.310 nan 0.000 0.584 379 G N 2.054 110.893 108.800 0.066 0.000 3.859 379 G HA2 -0.049 3.912 3.960 0.000 0.000 0.220 379 G HA3 -0.049 3.912 3.960 0.000 0.000 0.220 379 G C 0.073 175.000 174.900 0.045 0.000 0.892 379 G CA 0.092 45.217 45.100 0.042 0.000 0.858 379 G HN 0.796 nan 8.290 nan 0.000 0.625 380 S N 0.362 116.093 115.700 0.052 0.000 2.601 380 S HA 0.496 4.966 4.470 0.000 0.000 0.271 380 S C 1.682 176.313 174.600 0.050 0.000 1.305 380 S CA 0.722 58.953 58.200 0.052 0.000 1.022 380 S CB 1.043 64.275 63.200 0.054 0.000 0.940 380 S HN 1.198 nan 8.310 nan 0.000 0.525 381 G N 3.184 112.021 108.800 0.061 0.000 2.975 381 G HA2 -0.106 3.854 3.960 0.000 0.000 0.201 381 G HA3 -0.106 3.854 3.960 0.000 0.000 0.201 381 G C 1.028 175.954 174.900 0.043 0.000 1.191 381 G CA 0.315 45.454 45.100 0.065 0.000 0.913 381 G HN 0.799 nan 8.290 nan 0.000 0.505 382 K N 0.297 120.713 120.400 0.027 0.000 1.970 382 K HA -0.136 4.184 4.320 0.000 0.000 0.225 382 K C 2.768 179.368 176.600 0.000 0.000 1.045 382 K CA 1.717 58.008 56.287 0.006 0.000 1.002 382 K CB -0.484 31.995 32.500 -0.035 0.000 0.743 382 K HN 0.222 nan 8.250 nan 0.000 0.445 383 S N 0.483 116.174 115.700 -0.015 0.000 2.407 383 S HA -0.193 4.277 4.470 0.000 0.000 0.235 383 S C 1.949 176.554 174.600 0.008 0.000 1.036 383 S CA 1.862 60.056 58.200 -0.010 0.000 1.013 383 S CB -0.516 62.673 63.200 -0.019 0.000 0.820 383 S HN 0.380 nan 8.310 nan 0.000 0.476 384 T N 2.468 117.033 114.554 0.018 0.000 2.614 384 T HA -0.039 4.311 4.350 0.000 0.000 0.263 384 T C 1.767 176.418 174.700 -0.082 0.000 1.055 384 T CA 1.405 63.502 62.100 -0.005 0.000 1.162 384 T CB -0.487 68.404 68.868 0.039 0.000 0.863 384 T HN 0.505 nan 8.240 nan 0.000 0.414 385 I N 1.118 121.667 120.570 -0.035 0.000 2.208 385 I HA -0.191 3.979 4.170 0.000 0.000 0.245 385 I C 2.610 178.717 176.117 -0.015 0.000 1.097 385 I CA 1.570 62.868 61.300 -0.003 0.000 1.363 385 I CB -0.568 37.509 38.000 0.128 0.000 1.051 385 I HN 0.255 nan 8.210 nan 0.000 0.413 386 A N 1.282 124.104 122.820 0.003 0.000 1.881 386 A HA -0.340 3.980 4.320 0.000 0.000 0.219 386 A C 2.465 180.082 177.584 0.056 0.000 1.215 386 A CA 3.160 55.203 52.037 0.011 0.000 0.648 386 A CB -1.385 17.623 19.000 0.014 0.000 0.832 386 A HN 0.711 nan 8.150 nan 0.000 0.455 387 S N -0.904 114.858 115.700 0.104 0.000 2.461 387 S HA 0.098 4.568 4.470 0.000 0.000 0.228 387 S C 1.784 176.580 174.600 0.327 0.000 1.005 387 S CA 0.968 59.352 58.200 0.306 0.000 0.942 387 S CB -0.427 62.907 63.200 0.223 0.000 0.776 387 S HN 0.431 nan 8.310 nan 0.000 0.514 388 L N 0.303 121.567 121.223 0.068 0.000 2.217 388 L HA 0.084 4.424 4.340 0.000 0.000 0.211 388 L C 2.046 178.892 176.870 -0.040 0.000 1.107 388 L CA 0.721 55.537 54.840 -0.039 0.000 0.783 388 L CB -0.296 41.610 42.059 -0.256 0.000 0.919 388 L HN 0.260 nan 8.230 nan 0.000 0.442 389 I N -0.258 120.267 120.570 -0.075 0.000 2.099 389 I HA -0.306 3.864 4.170 0.000 0.000 0.239 389 I C 2.103 178.143 176.117 -0.129 0.000 1.066 389 I CA 1.958 63.167 61.300 -0.151 0.000 1.324 389 I CB -0.557 37.338 38.000 -0.174 0.000 1.037 389 I HN 0.327 nan 8.210 nan 0.000 0.401 390 T N -1.249 113.226 114.554 -0.132 0.000 3.584 390 T HA 0.091 4.441 4.350 0.000 0.000 0.252 390 T C 1.222 175.696 174.700 -0.376 0.000 1.103 390 T CA 0.023 61.953 62.100 -0.284 0.000 0.977 390 T CB -0.620 68.002 68.868 -0.411 0.000 1.044 390 T HN 0.336 nan 8.240 nan 0.000 0.589 391 R N -1.546 118.856 120.500 -0.164 0.000 4.018 391 R HA -0.238 4.102 4.340 0.000 0.000 0.412 391 R C 0.557 176.853 176.300 -0.006 0.000 1.112 391 R CA 1.216 57.268 56.100 -0.081 0.000 1.358 391 R CB -2.335 27.904 30.300 -0.102 0.000 1.925 391 R HN 0.520 nan 8.270 nan 0.000 0.561 392 F N -1.344 118.625 119.950 0.031 0.000 2.269 392 F HA -0.280 4.247 4.527 0.000 0.000 0.300 392 F C 1.334 176.980 175.800 -0.258 0.000 1.035 392 F CA 1.936 59.908 58.000 -0.046 0.000 1.373 392 F CB -0.279 38.770 39.000 0.081 0.000 1.094 392 F HN 0.246 nan 8.300 nan 0.000 0.535 393 Y N -1.933 118.499 120.300 0.220 0.000 2.830 393 Y HA 0.176 4.726 4.550 0.000 0.000 0.255 393 Y C 0.276 176.316 175.900 0.235 0.000 1.130 393 Y CA -1.256 56.992 58.100 0.246 0.000 1.217 393 Y CB -0.450 38.178 38.460 0.281 0.000 1.296 393 Y HN -0.111 nan 8.280 nan 0.000 0.571 394 D N 1.408 121.942 120.400 0.224 0.000 2.859 394 D HA -0.285 4.355 4.640 0.000 0.000 0.225 394 D C 0.402 176.820 176.300 0.197 0.000 1.168 394 D CA 1.749 55.841 54.000 0.155 0.000 0.665 394 D CB -0.721 40.136 40.800 0.094 0.000 1.059 394 D HN 0.533 nan 8.370 nan 0.000 0.418 395 I N -2.200 118.565 120.570 0.326 0.000 9.256 395 I HA -0.356 3.814 4.170 0.000 0.000 0.140 395 I C 0.617 176.923 176.117 0.315 0.000 1.871 395 I CA 1.121 62.662 61.300 0.401 0.000 2.039 395 I CB 0.149 38.272 38.000 0.206 0.000 3.985 395 I HN 0.055 nan 8.210 nan 0.000 0.170 396 D N 1.447 121.998 120.400 0.251 0.000 3.161 396 D HA 0.186 4.826 4.640 0.000 0.000 0.287 396 D C -0.218 176.095 176.300 0.022 0.000 1.343 396 D CA 1.151 55.141 54.000 -0.016 0.000 1.070 396 D CB 0.553 41.266 40.800 -0.144 0.000 1.188 396 D HN 0.480 nan 8.370 nan 0.000 0.409 397 E N -0.181 120.055 120.200 0.060 0.000 2.522 397 E HA 0.486 4.836 4.350 0.000 0.000 0.315 397 E C -0.589 176.056 176.600 0.075 0.000 0.917 397 E CA -0.124 56.305 56.400 0.048 0.000 0.796 397 E CB 0.936 30.652 29.700 0.027 0.000 1.323 397 E HN 0.381 nan 8.360 nan 0.000 0.397 398 G N 3.052 111.906 108.800 0.090 0.000 2.334 398 G HA2 0.144 4.104 3.960 0.000 0.000 0.249 398 G HA3 0.144 4.104 3.960 0.000 0.000 0.249 398 G C -1.769 173.250 174.900 0.198 0.000 1.327 398 G CA -0.827 44.379 45.100 0.178 0.000 0.979 398 G HN 0.468 nan 8.290 nan 0.000 0.471 399 H N -0.749 118.368 119.070 0.079 0.000 2.934 399 H HA 0.671 5.227 4.556 0.000 0.000 0.340 399 H C -0.595 174.845 175.328 0.186 0.000 1.008 399 H CA -0.323 55.791 56.048 0.110 0.000 1.317 399 H CB 1.542 31.351 29.762 0.079 0.000 1.670 399 H HN 0.514 nan 8.280 nan 0.000 0.516 400 I N 5.354 126.078 120.570 0.257 0.000 2.411 400 I HA 0.305 4.475 4.170 0.000 0.000 0.284 400 I C -0.823 175.397 176.117 0.171 0.000 1.012 400 I CA -0.687 60.778 61.300 0.276 0.000 1.119 400 I CB 0.997 39.118 38.000 0.202 0.000 1.261 400 I HN 0.323 nan 8.210 nan 0.000 0.448 401 L N 3.846 125.170 121.223 0.169 0.000 2.385 401 L HA 0.700 5.040 4.340 0.000 0.000 0.273 401 L C -0.697 176.239 176.870 0.110 0.000 0.990 401 L CA -0.834 54.096 54.840 0.151 0.000 0.821 401 L CB 2.156 44.309 42.059 0.157 0.000 1.279 401 L HN 0.633 nan 8.230 nan 0.000 0.412 402 M N 4.186 123.873 119.600 0.145 0.000 2.206 402 M HA 0.293 4.773 4.480 0.000 0.000 0.353 402 M C -1.019 175.393 176.300 0.187 0.000 1.242 402 M CA 0.479 55.832 55.300 0.089 0.000 1.179 402 M CB -0.346 32.235 32.600 -0.031 0.000 1.374 402 M HN 0.860 nan 8.290 nan 0.000 0.427 403 D N 3.963 124.426 120.400 0.105 0.000 2.800 403 D HA -0.116 4.524 4.640 0.000 0.000 0.248 403 D C 0.860 177.157 176.300 -0.006 0.000 1.091 403 D CA 1.638 55.691 54.000 0.088 0.000 0.746 403 D CB -1.339 39.558 40.800 0.161 0.000 1.062 403 D HN 1.115 nan 8.370 nan 0.000 0.431 404 G N -0.357 108.415 108.800 -0.046 0.000 2.412 404 G HA2 -0.384 3.576 3.960 0.000 0.000 0.252 404 G HA3 -0.384 3.576 3.960 0.000 0.000 0.252 404 G C 0.222 175.006 174.900 -0.193 0.000 1.038 404 G CA 0.736 45.736 45.100 -0.166 0.000 0.628 404 G HN 0.651 nan 8.290 nan 0.000 0.531 405 H N 1.590 120.721 119.070 0.102 0.000 2.517 405 H HA 0.405 4.961 4.556 0.000 0.000 0.317 405 H C -0.063 175.352 175.328 0.146 0.000 1.080 405 H CA -0.384 55.698 56.048 0.057 0.000 1.301 405 H CB 1.280 30.968 29.762 -0.122 0.000 1.425 405 H HN 0.400 nan 8.280 nan 0.000 0.471 406 D N 2.065 122.596 120.400 0.218 0.000 2.382 406 D HA -0.077 4.563 4.640 0.000 0.000 0.240 406 D C 1.160 177.585 176.300 0.207 0.000 1.146 406 D CA -0.438 53.671 54.000 0.183 0.000 0.897 406 D CB 1.354 42.225 40.800 0.119 0.000 1.197 406 D HN 0.241 nan 8.370 nan 0.000 0.432 407 L N 3.422 124.743 121.223 0.164 0.000 2.051 407 L HA -0.222 4.118 4.340 0.000 0.000 0.214 407 L C 2.581 179.533 176.870 0.137 0.000 1.076 407 L CA 1.710 56.642 54.840 0.153 0.000 0.758 407 L CB -0.835 41.260 42.059 0.061 0.000 0.890 407 L HN 0.426 nan 8.230 nan 0.000 0.433 408 R N -0.182 120.364 120.500 0.076 0.000 2.080 408 R HA -0.148 4.192 4.340 0.000 0.000 0.236 408 R C 2.193 178.510 176.300 0.028 0.000 1.137 408 R CA 1.280 57.405 56.100 0.042 0.000 0.943 408 R CB -0.609 29.699 30.300 0.013 0.000 0.846 408 R HN 0.441 nan 8.270 nan 0.000 0.431 409 E N -0.953 119.249 120.200 0.004 0.000 2.169 409 E HA -0.215 4.135 4.350 0.000 0.000 0.202 409 E C -0.074 176.423 176.600 -0.172 0.000 1.016 409 E CA 1.098 57.437 56.400 -0.101 0.000 0.817 409 E CB -0.195 29.416 29.700 -0.149 0.000 0.736 409 E HN 0.245 nan 8.360 nan 0.000 0.462 410 Y N 0.325 120.611 120.300 -0.023 0.000 2.314 410 Y HA 0.051 4.601 4.550 0.000 0.000 0.334 410 Y C 0.788 176.665 175.900 -0.038 0.000 1.266 410 Y CA -0.015 58.062 58.100 -0.038 0.000 1.391 410 Y CB 1.047 39.491 38.460 -0.026 0.000 1.306 410 Y HN -0.262 nan 8.280 nan 0.000 0.558 411 T N 3.553 118.221 114.554 0.190 0.000 2.794 411 T HA 0.114 4.464 4.350 0.000 0.000 0.296 411 T C 1.268 176.000 174.700 0.053 0.000 0.949 411 T CA -0.425 61.723 62.100 0.080 0.000 1.101 411 T CB 0.135 69.036 68.868 0.055 0.000 0.905 411 T HN 0.767 nan 8.240 nan 0.000 0.516 412 L N 5.788 127.021 121.223 0.017 0.000 1.997 412 L HA -0.123 4.217 4.340 0.000 0.000 0.216 412 L C 2.659 179.505 176.870 -0.039 0.000 1.074 412 L CA 2.384 57.211 54.840 -0.022 0.000 0.763 412 L CB -0.922 41.118 42.059 -0.031 0.000 0.890 412 L HN 0.927 nan 8.230 nan 0.000 0.434 413 A N 0.009 122.815 122.820 -0.023 0.000 1.877 413 A HA -0.405 3.915 4.320 0.000 0.000 0.218 413 A C 2.403 179.963 177.584 -0.039 0.000 1.301 413 A CA 3.546 55.567 52.037 -0.027 0.000 0.699 413 A CB -1.598 17.396 19.000 -0.011 0.000 0.844 413 A HN 0.711 nan 8.150 nan 0.000 0.464 414 S N -0.575 115.109 115.700 -0.027 0.000 2.399 414 S HA -0.126 4.345 4.470 0.000 0.000 0.231 414 S C 1.804 176.344 174.600 -0.100 0.000 1.022 414 S CA 1.443 59.615 58.200 -0.046 0.000 0.983 414 S CB -0.705 62.484 63.200 -0.020 0.000 0.803 414 S HN 0.591 nan 8.310 nan 0.000 0.480 415 L N 2.179 123.333 121.223 -0.115 0.000 1.978 415 L HA -0.072 4.268 4.340 0.000 0.000 0.218 415 L C 2.562 179.332 176.870 -0.168 0.000 1.075 415 L CA 1.894 56.620 54.840 -0.190 0.000 0.767 415 L CB -0.771 41.208 42.059 -0.133 0.000 0.890 415 L HN 0.212 nan 8.230 nan 0.000 0.434 416 R N -0.782 119.632 120.500 -0.143 0.000 2.285 416 R HA -0.126 4.214 4.340 0.000 0.000 0.213 416 R C 1.698 177.936 176.300 -0.103 0.000 1.068 416 R CA 0.984 56.995 56.100 -0.148 0.000 1.004 416 R CB -0.492 29.710 30.300 -0.164 0.000 0.873 416 R HN 0.520 nan 8.270 nan 0.000 0.467 417 N N 0.139 118.787 118.700 -0.088 0.000 2.422 417 N HA -0.088 4.652 4.740 0.000 0.000 0.181 417 N C 0.829 176.300 175.510 -0.065 0.000 1.080 417 N CA 0.417 53.432 53.050 -0.059 0.000 0.893 417 N CB 0.405 38.865 38.487 -0.044 0.000 0.973 417 N HN -0.064 nan 8.380 nan 0.000 0.456 418 Q N 0.014 119.754 119.800 -0.101 0.000 2.228 418 Q HA 0.319 4.659 4.340 0.000 0.000 0.211 418 Q C -1.223 174.721 176.000 -0.094 0.000 0.890 418 Q CA -0.107 55.631 55.803 -0.109 0.000 0.953 418 Q CB 0.396 29.029 28.738 -0.176 0.000 1.053 418 Q HN 0.143 nan 8.270 nan 0.000 0.471 419 V N -1.109 118.762 119.914 -0.073 0.000 3.077 419 V HA 0.845 4.965 4.120 0.000 0.000 0.299 419 V C -1.934 174.142 176.094 -0.030 0.000 1.276 419 V CA -0.725 61.540 62.300 -0.058 0.000 0.993 419 V CB 2.059 33.835 31.823 -0.079 0.000 1.076 419 V HN 0.045 nan 8.190 nan 0.000 0.434 420 A N 4.962 127.773 122.820 -0.015 0.000 2.350 420 A HA 0.992 5.312 4.320 0.000 0.000 0.324 420 A C -1.457 176.133 177.584 0.011 0.000 1.118 420 A CA -0.573 51.467 52.037 0.004 0.000 0.783 420 A CB 1.638 20.644 19.000 0.009 0.000 1.236 420 A HN 1.473 nan 8.150 nan 0.000 0.457 421 L N 1.703 122.941 121.223 0.025 0.000 2.424 421 L HA 0.751 5.091 4.340 0.000 0.000 0.258 421 L C -1.363 175.525 176.870 0.029 0.000 0.995 421 L CA -0.334 54.528 54.840 0.037 0.000 0.821 421 L CB 2.531 44.636 42.059 0.076 0.000 1.383 421 L HN 0.420 nan 8.230 nan 0.000 0.410 422 V N 2.930 122.858 119.914 0.023 0.000 2.383 422 V HA 0.312 4.432 4.120 0.000 0.000 0.264 422 V C -0.123 175.977 176.094 0.010 0.000 1.001 422 V CA -0.416 61.892 62.300 0.013 0.000 0.828 422 V CB 0.981 32.809 31.823 0.008 0.000 1.069 422 V HN 0.867 nan 8.190 nan 0.000 0.451 423 S N 2.505 118.213 115.700 0.013 0.000 2.563 423 S HA 0.060 4.530 4.470 0.000 0.000 0.294 423 S C 1.279 175.874 174.600 -0.008 0.000 1.279 423 S CA -0.366 57.835 58.200 0.002 0.000 1.069 423 S CB 1.004 64.201 63.200 -0.006 0.000 0.828 423 S HN 0.671 nan 8.310 nan 0.000 0.497 424 Q N 2.620 122.410 119.800 -0.017 0.000 2.062 424 Q HA -0.292 4.048 4.340 0.000 0.000 0.216 424 Q C 0.525 176.517 176.000 -0.014 0.000 1.052 424 Q CA 2.418 58.208 55.803 -0.021 0.000 0.910 424 Q CB -1.011 27.710 28.738 -0.028 0.000 1.043 424 Q HN 1.085 nan 8.270 nan 0.000 0.425 425 N N 0.062 118.753 118.700 -0.014 0.000 2.425 425 N HA 0.433 5.173 4.740 0.000 0.000 0.268 425 N C -1.219 174.293 175.510 0.004 0.000 0.991 425 N CA -0.603 52.443 53.050 -0.007 0.000 0.931 425 N CB 1.427 39.907 38.487 -0.013 0.000 1.130 425 N HN -0.007 nan 8.380 nan 0.000 0.493 426 V N 1.733 121.654 119.914 0.011 0.000 2.607 426 V HA 0.216 4.336 4.120 0.000 0.000 0.289 426 V C -0.025 176.112 176.094 0.071 0.000 1.053 426 V CA -0.522 61.792 62.300 0.023 0.000 0.996 426 V CB 0.640 32.461 31.823 -0.003 0.000 0.995 426 V HN 0.823 nan 8.190 nan 0.000 0.476 427 H N 3.936 122.972 119.070 -0.056 0.000 2.472 427 H HA 0.765 5.321 4.556 0.000 0.000 0.338 427 H C -0.917 174.336 175.328 -0.124 0.000 1.133 427 H CA -0.547 55.474 56.048 -0.045 0.000 1.216 427 H CB 1.199 30.959 29.762 -0.004 0.000 1.497 427 H HN 0.568 nan 8.280 nan 0.000 0.500 428 L N 3.909 124.881 121.223 -0.418 0.000 2.250 428 L HA 0.465 4.805 4.340 0.000 0.000 0.252 428 L C -0.341 176.294 176.870 -0.391 0.000 1.054 428 L CA -0.867 53.665 54.840 -0.513 0.000 0.856 428 L CB 1.752 43.672 42.059 -0.232 0.000 1.443 428 L HN 0.545 nan 8.230 nan 0.000 0.427 429 F N -0.629 119.126 119.950 -0.325 0.000 2.561 429 F HA 0.321 4.848 4.527 0.000 0.000 0.384 429 F C 0.239 175.923 175.800 -0.193 0.000 1.131 429 F CA -0.776 57.054 58.000 -0.283 0.000 1.133 429 F CB 1.007 39.799 39.000 -0.348 0.000 1.506 429 F HN 0.366 nan 8.300 nan 0.000 0.499 430 N N 0.148 118.885 118.700 0.061 0.000 2.818 430 N HA 0.214 4.954 4.740 0.000 0.000 0.301 430 N C -1.489 174.002 175.510 -0.031 0.000 1.821 430 N CA 0.005 53.056 53.050 0.002 0.000 0.930 430 N CB 0.076 38.566 38.487 0.005 0.000 1.263 430 N HN 0.441 nan 8.380 nan 0.000 0.487 431 D N -1.458 118.903 120.400 -0.065 0.000 2.574 431 D HA 0.408 5.048 4.640 0.000 0.000 0.210 431 D C -0.059 176.217 176.300 -0.041 0.000 1.277 431 D CA 0.020 53.975 54.000 -0.076 0.000 1.121 431 D CB 0.545 41.231 40.800 -0.190 0.000 1.192 431 D HN 0.267 nan 8.370 nan 0.000 0.602 432 T N -1.589 112.945 114.554 -0.034 0.000 2.940 432 T HA 0.420 4.770 4.350 0.000 0.000 0.288 432 T C 1.264 175.953 174.700 -0.018 0.000 1.033 432 T CA -0.767 61.327 62.100 -0.010 0.000 1.033 432 T CB 1.273 70.147 68.868 0.010 0.000 1.079 432 T HN -0.022 nan 8.240 nan 0.000 0.496 433 V N 1.656 121.566 119.914 -0.006 0.000 2.231 433 V HA -0.246 3.874 4.120 0.000 0.000 0.250 433 V C 3.131 179.221 176.094 -0.007 0.000 1.058 433 V CA 2.665 64.961 62.300 -0.007 0.000 1.022 433 V CB -1.758 30.060 31.823 -0.008 0.000 0.640 433 V HN 1.129 nan 8.190 nan 0.000 0.445 434 A N 0.351 123.173 122.820 0.003 0.000 1.894 434 A HA -0.411 3.909 4.320 0.000 0.000 0.220 434 A C 2.038 179.652 177.584 0.051 0.000 1.237 434 A CA 2.976 55.028 52.037 0.024 0.000 0.660 434 A CB -1.205 17.814 19.000 0.032 0.000 0.835 434 A HN 0.747 nan 8.150 nan 0.000 0.461 435 N N -0.401 118.334 118.700 0.059 0.000 2.058 435 N HA -0.156 4.584 4.740 0.000 0.000 0.191 435 N C 1.594 177.124 175.510 0.034 0.000 1.037 435 N CA 1.115 54.239 53.050 0.123 0.000 0.848 435 N CB -0.266 38.271 38.487 0.083 0.000 1.021 435 N HN 0.486 nan 8.380 nan 0.000 0.422 436 N N 0.871 119.505 118.700 -0.109 0.000 2.334 436 N HA -0.139 4.601 4.740 0.000 0.000 0.187 436 N C 1.491 176.946 175.510 -0.091 0.000 1.016 436 N CA 0.976 53.914 53.050 -0.186 0.000 0.879 436 N CB -0.023 38.356 38.487 -0.181 0.000 0.965 436 N HN 0.390 nan 8.380 nan 0.000 0.438 437 I N -0.037 120.527 120.570 -0.008 0.000 2.628 437 I HA -0.011 4.159 4.170 0.000 0.000 0.255 437 I C 2.306 178.466 176.117 0.073 0.000 1.119 437 I CA 0.292 61.607 61.300 0.024 0.000 1.448 437 I CB -0.190 37.830 38.000 0.033 0.000 1.133 437 I HN -0.062 nan 8.210 nan 0.000 0.438 438 A N 0.369 123.254 122.820 0.108 0.000 1.930 438 A HA -0.195 4.125 4.320 0.000 0.000 0.217 438 A C 1.858 179.504 177.584 0.104 0.000 1.175 438 A CA 1.238 53.336 52.037 0.101 0.000 0.627 438 A CB -0.946 18.127 19.000 0.122 0.000 0.815 438 A HN 0.422 nan 8.150 nan 0.000 0.443 439 Y N 0.048 120.332 120.300 -0.027 0.000 2.749 439 Y HA 0.152 4.702 4.550 0.000 0.000 0.321 439 Y C 1.436 177.320 175.900 -0.026 0.000 1.195 439 Y CA -0.014 58.089 58.100 0.005 0.000 1.338 439 Y CB -0.745 37.775 38.460 0.101 0.000 1.017 439 Y HN 0.296 nan 8.280 nan 0.000 0.517 440 A N 0.959 123.811 122.820 0.053 0.000 3.095 440 A HA 0.546 4.866 4.320 0.000 0.000 0.301 440 A C -0.287 177.252 177.584 -0.075 0.000 1.432 440 A CA -0.635 51.408 52.037 0.011 0.000 1.140 440 A CB -0.166 18.858 19.000 0.042 0.000 1.174 440 A HN 0.236 nan 8.150 nan 0.000 0.546 441 R N 0.362 120.792 120.500 -0.118 0.000 2.022 441 R HA -0.130 4.210 4.340 0.000 0.000 0.372 441 R C 0.505 176.545 176.300 -0.433 0.000 1.161 441 R CA 1.102 57.097 56.100 -0.175 0.000 0.928 441 R CB -2.826 27.442 30.300 -0.053 0.000 2.817 441 R HN 1.303 nan 8.270 nan 0.000 0.489 442 T N -0.597 113.756 114.554 -0.337 0.000 6.560 442 T HA -0.187 4.163 4.350 0.000 0.000 0.282 442 T C 0.445 174.971 174.700 -0.291 0.000 2.166 442 T CA 0.982 62.899 62.100 -0.304 0.000 3.676 442 T CB -0.702 67.963 68.868 -0.338 0.000 0.961 442 T HN 0.636 nan 8.240 nan 0.000 0.735 443 E N -0.071 119.926 120.200 -0.340 0.000 3.673 443 E HA -0.135 4.215 4.350 0.000 0.000 0.309 443 E C -0.083 176.402 176.600 -0.192 0.000 0.819 443 E CA 1.794 58.032 56.400 -0.271 0.000 1.111 443 E CB -0.865 28.609 29.700 -0.376 0.000 1.561 443 E HN 0.735 nan 8.360 nan 0.000 0.450 444 E N -0.632 119.428 120.200 -0.233 0.000 2.640 444 E HA 0.346 4.696 4.350 0.000 0.000 0.360 444 E C -1.425 175.146 176.600 -0.049 0.000 1.014 444 E CA -0.320 56.017 56.400 -0.105 0.000 0.757 444 E CB 0.232 29.893 29.700 -0.065 0.000 1.565 444 E HN 0.047 nan 8.360 nan 0.000 0.381 445 Y N -0.098 120.204 120.300 0.003 0.000 2.782 445 Y HA 0.615 5.165 4.550 0.000 0.000 0.329 445 Y C 0.796 176.696 175.900 0.001 0.000 1.192 445 Y CA -1.456 56.644 58.100 0.000 0.000 1.216 445 Y CB 0.764 39.225 38.460 0.001 0.000 1.447 445 Y HN 0.181 nan 8.280 nan 0.000 0.616 446 S N 0.525 116.336 115.700 0.186 0.000 2.584 446 S HA 0.170 4.640 4.470 0.000 0.000 0.273 446 S C 1.096 175.735 174.600 0.065 0.000 1.311 446 S CA -0.603 57.644 58.200 0.078 0.000 1.034 446 S CB 1.095 64.307 63.200 0.020 0.000 0.939 446 S HN 0.515 nan 8.310 nan 0.000 0.513 447 R N 1.645 122.170 120.500 0.042 0.000 2.200 447 R HA -0.110 4.230 4.340 0.000 0.000 0.234 447 R C 1.447 177.754 176.300 0.011 0.000 1.127 447 R CA 1.544 57.661 56.100 0.028 0.000 0.989 447 R CB -0.346 29.963 30.300 0.015 0.000 0.869 447 R HN 0.604 nan 8.270 nan 0.000 0.459 448 E N -0.112 120.089 120.200 0.002 0.000 2.001 448 E HA -0.162 4.188 4.350 0.000 0.000 0.193 448 E C 1.912 178.499 176.600 -0.022 0.000 0.994 448 E CA 1.512 57.902 56.400 -0.016 0.000 0.815 448 E CB -0.291 29.393 29.700 -0.026 0.000 0.770 448 E HN 0.220 nan 8.360 nan 0.000 0.453 449 Q N 0.225 120.003 119.800 -0.036 0.000 2.142 449 Q HA -0.228 4.112 4.340 0.000 0.000 0.213 449 Q C 2.313 178.308 176.000 -0.009 0.000 1.004 449 Q CA 2.316 58.084 55.803 -0.058 0.000 0.883 449 Q CB -0.725 27.930 28.738 -0.137 0.000 0.939 449 Q HN 0.604 nan 8.270 nan 0.000 0.413 450 I N -2.277 118.311 120.570 0.030 0.000 2.233 450 I HA -0.159 4.011 4.170 0.000 0.000 0.243 450 I C 1.936 178.050 176.117 -0.006 0.000 1.093 450 I CA 1.208 62.528 61.300 0.033 0.000 1.380 450 I CB -0.507 37.525 38.000 0.052 0.000 1.067 450 I HN -0.014 nan 8.210 nan 0.000 0.413 451 E N 1.458 121.649 120.200 -0.015 0.000 2.048 451 E HA -0.309 4.041 4.350 0.000 0.000 0.202 451 E C 2.088 178.663 176.600 -0.042 0.000 1.021 451 E CA 2.020 58.398 56.400 -0.037 0.000 0.825 451 E CB -0.491 29.189 29.700 -0.033 0.000 0.756 451 E HN 0.631 nan 8.360 nan 0.000 0.454 452 E N 0.634 120.814 120.200 -0.034 0.000 2.023 452 E HA -0.211 4.139 4.350 0.000 0.000 0.196 452 E C 2.036 178.620 176.600 -0.026 0.000 1.003 452 E CA 1.397 57.777 56.400 -0.034 0.000 0.809 452 E CB -0.185 29.494 29.700 -0.035 0.000 0.755 452 E HN 0.142 nan 8.360 nan 0.000 0.449 453 A N 1.362 124.172 122.820 -0.017 0.000 1.927 453 A HA -0.195 4.125 4.320 0.000 0.000 0.220 453 A C 2.435 180.017 177.584 -0.003 0.000 1.185 453 A CA 2.723 54.758 52.037 -0.002 0.000 0.639 453 A CB -0.848 18.162 19.000 0.015 0.000 0.820 453 A HN 0.442 nan 8.150 nan 0.000 0.451 454 A N -1.003 121.802 122.820 -0.025 0.000 2.015 454 A HA -0.080 4.240 4.320 0.000 0.000 0.219 454 A C 2.225 179.771 177.584 -0.063 0.000 1.163 454 A CA 1.536 53.542 52.037 -0.052 0.000 0.646 454 A CB -0.391 18.549 19.000 -0.101 0.000 0.806 454 A HN 0.587 nan 8.150 nan 0.000 0.448 455 R N -0.973 119.492 120.500 -0.060 0.000 2.057 455 R HA 0.033 4.373 4.340 0.000 0.000 0.224 455 R C 1.024 177.314 176.300 -0.017 0.000 1.136 455 R CA 1.068 57.127 56.100 -0.068 0.000 0.968 455 R CB -0.204 30.054 30.300 -0.070 0.000 0.863 455 R HN 0.360 nan 8.270 nan 0.000 0.433 456 M N 0.650 120.249 119.600 -0.002 0.000 2.793 456 M HA 0.067 4.547 4.480 0.000 0.000 0.215 456 M C 0.571 176.901 176.300 0.051 0.000 1.087 456 M CA 0.454 55.768 55.300 0.023 0.000 1.033 456 M CB 0.084 32.689 32.600 0.009 0.000 1.760 456 M HN 0.285 nan 8.290 nan 0.000 0.514 457 A N -1.632 121.230 122.820 0.071 0.000 2.630 457 A HA 0.209 4.529 4.320 0.000 0.000 0.287 457 A C 0.035 177.744 177.584 0.208 0.000 1.040 457 A CA -0.579 51.523 52.037 0.108 0.000 0.971 457 A CB -0.066 18.981 19.000 0.077 0.000 1.241 457 A HN 0.390 nan 8.150 nan 0.000 0.558 458 Y N -0.416 119.905 120.300 0.034 0.000 2.951 458 Y HA -0.231 4.319 4.550 0.000 0.000 0.173 458 Y C 0.772 176.742 175.900 0.115 0.000 1.593 458 Y CA 0.724 58.858 58.100 0.057 0.000 0.902 458 Y CB -1.034 37.464 38.460 0.064 0.000 1.452 458 Y HN 0.906 nan 8.280 nan 0.000 0.358 459 A N 3.303 126.150 122.820 0.045 0.000 2.679 459 A HA 0.105 4.425 4.320 0.000 0.000 0.168 459 A C 1.380 178.613 177.584 -0.585 0.000 1.561 459 A CA 0.360 52.351 52.037 -0.076 0.000 1.139 459 A CB -0.224 18.808 19.000 0.055 0.000 1.395 459 A HN 0.395 nan 8.150 nan 0.000 0.483 460 M N 1.498 120.893 119.600 -0.342 0.000 2.446 460 M HA -0.111 4.369 4.480 0.000 0.000 0.263 460 M C 1.464 177.581 176.300 -0.305 0.000 1.066 460 M CA 2.077 57.185 55.300 -0.320 0.000 1.087 460 M CB -1.108 31.372 32.600 -0.200 0.000 1.406 460 M HN 0.726 nan 8.290 nan 0.000 0.459 461 D N -0.098 120.135 120.400 -0.278 0.000 2.103 461 D HA -0.202 4.438 4.640 0.000 0.000 0.199 461 D C 1.713 177.971 176.300 -0.069 0.000 0.978 461 D CA 1.256 55.161 54.000 -0.159 0.000 0.829 461 D CB -0.990 39.718 40.800 -0.154 0.000 0.981 461 D HN 0.509 nan 8.370 nan 0.000 0.464 462 F N 0.323 120.255 119.950 -0.029 0.000 2.416 462 F HA 0.209 4.736 4.527 -0.000 0.000 0.296 462 F C 1.880 177.677 175.800 -0.005 0.000 1.099 462 F CA -0.040 57.959 58.000 -0.002 0.000 1.427 462 F CB -0.294 38.720 39.000 0.024 0.000 1.079 462 F HN -0.179 nan 8.300 nan 0.000 0.536 463 I N 2.229 122.327 120.570 -0.788 0.000 2.163 463 I HA -0.305 3.865 4.170 0.000 0.000 0.243 463 I C 1.884 177.896 176.117 -0.175 0.000 1.085 463 I CA 1.597 62.612 61.300 -0.476 0.000 1.347 463 I CB -1.606 36.093 38.000 -0.502 0.000 1.044 463 I HN 0.396 nan 8.210 nan 0.000 0.408 464 N N 0.504 119.104 118.700 -0.167 0.000 2.396 464 N HA -0.142 4.598 4.740 0.000 0.000 0.180 464 N C 1.666 177.159 175.510 -0.028 0.000 1.028 464 N CA 0.541 53.542 53.050 -0.083 0.000 0.893 464 N CB 0.070 38.506 38.487 -0.085 0.000 0.967 464 N HN 0.435 nan 8.380 nan 0.000 0.440 465 K N 0.979 121.382 120.400 0.006 0.000 2.097 465 K HA -0.032 4.288 4.320 0.000 0.000 0.205 465 K C 0.993 177.621 176.600 0.047 0.000 1.050 465 K CA 0.637 56.950 56.287 0.043 0.000 0.938 465 K CB 0.007 32.561 32.500 0.090 0.000 0.718 465 K HN 0.308 nan 8.250 nan 0.000 0.442 466 M N 2.434 122.071 119.600 0.062 0.000 2.146 466 M HA 0.116 4.597 4.480 0.000 0.000 0.352 466 M C -0.583 175.734 176.300 0.027 0.000 1.343 466 M CA -0.679 54.655 55.300 0.057 0.000 1.115 466 M CB 0.624 33.279 32.600 0.090 0.000 1.657 466 M HN -0.063 nan 8.290 nan 0.000 0.471 467 D N 3.535 123.948 120.400 0.021 0.000 2.506 467 D HA -0.028 4.612 4.640 0.000 0.000 0.234 467 D C -0.212 176.094 176.300 0.009 0.000 1.143 467 D CA 0.377 54.384 54.000 0.012 0.000 0.871 467 D CB 0.341 41.148 40.800 0.011 0.000 1.190 467 D HN 1.131 nan 8.370 nan 0.000 0.459 468 N N 0.264 118.965 118.700 0.003 0.000 2.955 468 N HA -0.183 4.557 4.740 0.000 0.000 0.199 468 N C 1.189 176.696 175.510 -0.005 0.000 0.939 468 N CA 0.529 53.580 53.050 0.001 0.000 1.028 468 N CB -1.417 37.074 38.487 0.007 0.000 1.000 468 N HN 0.828 nan 8.380 nan 0.000 0.577 469 G N 1.233 110.027 108.800 -0.011 0.000 2.652 469 G HA2 -0.375 3.585 3.960 0.000 0.000 0.318 469 G HA3 -0.375 3.585 3.960 0.000 0.000 0.318 469 G C 0.614 175.496 174.900 -0.029 0.000 1.295 469 G CA 0.864 45.945 45.100 -0.031 0.000 0.999 469 G HN 0.166 nan 8.290 nan 0.000 0.548 470 L N 1.342 122.542 121.223 -0.038 0.000 2.450 470 L HA 0.109 4.449 4.340 0.000 0.000 0.224 470 L C 2.010 178.877 176.870 -0.006 0.000 1.149 470 L CA 2.032 56.855 54.840 -0.028 0.000 0.816 470 L CB -0.385 41.658 42.059 -0.026 0.000 0.932 470 L HN 0.421 nan 8.230 nan 0.000 0.449 471 D N -1.557 118.841 120.400 -0.003 0.000 2.339 471 D HA 0.036 4.676 4.640 0.000 0.000 0.217 471 D C 0.573 176.877 176.300 0.008 0.000 1.050 471 D CA 0.247 54.251 54.000 0.006 0.000 0.856 471 D CB 0.091 40.895 40.800 0.006 0.000 0.922 471 D HN 0.211 nan 8.370 nan 0.000 0.518 472 T N 1.004 115.562 114.554 0.007 0.000 2.907 472 T HA 0.209 4.559 4.350 0.000 0.000 0.298 472 T C 0.674 175.381 174.700 0.013 0.000 1.017 472 T CA -0.437 61.671 62.100 0.013 0.000 1.118 472 T CB 1.594 70.475 68.868 0.021 0.000 0.948 472 T HN 0.035 nan 8.240 nan 0.000 0.531 473 I N 3.944 124.522 120.570 0.013 0.000 2.396 473 I HA 0.394 4.564 4.170 0.000 0.000 0.289 473 I C 0.053 176.177 176.117 0.012 0.000 1.056 473 I CA -0.497 60.808 61.300 0.009 0.000 1.365 473 I CB 0.124 38.129 38.000 0.008 0.000 1.407 473 I HN 0.616 nan 8.210 nan 0.000 0.509 474 I N 6.866 127.440 120.570 0.007 0.000 2.834 474 I HA 0.473 4.643 4.170 0.000 0.000 0.305 474 I C 0.746 176.868 176.117 0.009 0.000 1.008 474 I CA -0.336 60.971 61.300 0.011 0.000 1.273 474 I CB 1.133 39.134 38.000 0.001 0.000 1.432 474 I HN 0.660 nan 8.210 nan 0.000 0.557 475 G N 3.561 112.369 108.800 0.012 0.000 2.378 475 G HA2 0.078 4.038 3.960 0.000 0.000 0.255 475 G HA3 0.078 4.038 3.960 0.000 0.000 0.255 475 G C -0.203 174.709 174.900 0.019 0.000 1.270 475 G CA -0.407 44.702 45.100 0.015 0.000 0.876 475 G HN 0.814 nan 8.290 nan 0.000 0.521 476 E N 2.109 122.325 120.200 0.026 0.000 3.111 476 E HA -0.190 4.160 4.350 0.000 0.000 0.230 476 E C 0.491 177.128 176.600 0.061 0.000 1.035 476 E CA 0.440 56.865 56.400 0.042 0.000 0.944 476 E CB -0.217 29.508 29.700 0.043 0.000 0.919 476 E HN 0.636 nan 8.360 nan 0.000 0.554 477 N N 3.527 122.262 118.700 0.058 0.000 2.725 477 N HA -0.162 4.578 4.740 0.000 0.000 0.256 477 N C 0.049 175.583 175.510 0.039 0.000 1.087 477 N CA 1.306 54.398 53.050 0.070 0.000 0.690 477 N CB -1.422 37.184 38.487 0.199 0.000 0.891 477 N HN 0.853 nan 8.380 nan 0.000 0.553 478 G N -0.237 108.565 108.800 0.003 0.000 2.424 478 G HA2 -0.267 3.693 3.960 0.000 0.000 0.294 478 G HA3 -0.267 3.693 3.960 0.000 0.000 0.294 478 G C 1.113 176.018 174.900 0.009 0.000 0.939 478 G CA 0.404 45.505 45.100 0.001 0.000 1.143 478 G HN 0.705 nan 8.290 nan 0.000 0.507 479 V N 0.078 120.001 119.914 0.015 0.000 2.500 479 V HA -0.010 4.110 4.120 0.000 0.000 0.243 479 V C 1.998 178.097 176.094 0.008 0.000 1.039 479 V CA 1.789 64.098 62.300 0.015 0.000 1.053 479 V CB -0.126 31.710 31.823 0.022 0.000 0.695 479 V HN 0.648 nan 8.190 nan 0.000 0.463 480 L N 1.659 122.887 121.223 0.009 0.000 2.998 480 L HA 0.632 4.972 4.340 0.000 0.000 0.234 480 L C -0.279 176.593 176.870 0.003 0.000 1.350 480 L CA 0.303 55.148 54.840 0.008 0.000 1.202 480 L CB -1.019 41.048 42.059 0.013 0.000 1.583 480 L HN 0.290 nan 8.230 nan 0.000 0.456 481 L N -4.267 116.949 121.223 -0.012 0.000 2.921 481 L HA 0.521 4.861 4.340 0.000 0.000 0.261 481 L C -0.269 176.562 176.870 -0.065 0.000 0.984 481 L CA -0.803 54.015 54.840 -0.037 0.000 0.951 481 L CB 1.211 43.258 42.059 -0.019 0.000 1.495 481 L HN -0.079 nan 8.230 nan 0.000 0.414 482 S N 0.517 116.149 115.700 -0.113 0.000 2.561 482 S HA 0.211 4.681 4.470 0.000 0.000 0.294 482 S C 1.390 175.925 174.600 -0.108 0.000 1.294 482 S CA 0.760 58.888 58.200 -0.120 0.000 1.055 482 S CB 0.898 63.995 63.200 -0.171 0.000 0.819 482 S HN 1.103 nan 8.310 nan 0.000 0.503 483 G N 3.847 112.603 108.800 -0.074 0.000 2.422 483 G HA2 -0.058 3.902 3.960 0.000 0.000 0.218 483 G HA3 -0.058 3.902 3.960 0.000 0.000 0.218 483 G C 1.404 176.266 174.900 -0.063 0.000 1.146 483 G CA 0.733 45.801 45.100 -0.053 0.000 0.769 483 G HN 0.965 nan 8.290 nan 0.000 0.547 484 G N 0.438 109.187 108.800 -0.086 0.000 2.480 484 G HA2 -0.227 3.733 3.960 0.000 0.000 0.216 484 G HA3 -0.227 3.733 3.960 0.000 0.000 0.216 484 G C 1.767 176.602 174.900 -0.108 0.000 1.200 484 G CA 1.159 46.208 45.100 -0.086 0.000 0.782 484 G HN 0.504 nan 8.290 nan 0.000 0.554 485 Q N -0.049 119.607 119.800 -0.241 0.000 2.077 485 Q HA -0.156 4.184 4.340 0.000 0.000 0.206 485 Q C 2.814 178.785 176.000 -0.048 0.000 0.989 485 Q CA 1.468 57.034 55.803 -0.396 0.000 0.853 485 Q CB -0.225 28.052 28.738 -0.768 0.000 0.907 485 Q HN 0.420 nan 8.270 nan 0.000 0.418 486 R N 0.553 121.023 120.500 -0.049 0.000 2.088 486 R HA -0.213 4.127 4.340 0.000 0.000 0.232 486 R C 2.421 178.731 176.300 0.017 0.000 1.136 486 R CA 1.807 57.908 56.100 0.002 0.000 0.926 486 R CB -0.417 29.872 30.300 -0.018 0.000 0.837 486 R HN 0.326 nan 8.270 nan 0.000 0.429 487 Q N 0.648 120.448 119.800 0.000 0.000 2.096 487 Q HA -0.253 4.087 4.340 0.000 0.000 0.208 487 Q C 2.128 178.148 176.000 0.034 0.000 0.993 487 Q CA 1.899 57.707 55.803 0.007 0.000 0.862 487 Q CB 0.012 28.748 28.738 -0.003 0.000 0.915 487 Q HN 0.294 nan 8.270 nan 0.000 0.416 488 R N -0.203 120.336 120.500 0.065 0.000 2.083 488 R HA -0.154 4.187 4.340 0.000 0.000 0.237 488 R C 2.359 178.728 176.300 0.115 0.000 1.137 488 R CA 1.702 57.872 56.100 0.117 0.000 0.951 488 R CB -0.461 29.972 30.300 0.222 0.000 0.851 488 R HN 0.377 nan 8.270 nan 0.000 0.434 489 I N 0.719 121.367 120.570 0.130 0.000 2.286 489 I HA -0.263 3.907 4.170 0.000 0.000 0.248 489 I C 2.605 178.739 176.117 0.027 0.000 1.115 489 I CA 1.243 62.597 61.300 0.089 0.000 1.392 489 I CB -0.400 37.657 38.000 0.095 0.000 1.065 489 I HN 0.212 nan 8.210 nan 0.000 0.418 490 A N 0.684 123.510 122.820 0.010 0.000 1.969 490 A HA -0.134 4.186 4.320 0.000 0.000 0.218 490 A C 2.286 179.871 177.584 0.002 0.000 1.169 490 A CA 1.355 53.381 52.037 -0.018 0.000 0.635 490 A CB -0.655 18.332 19.000 -0.020 0.000 0.810 490 A HN 0.390 nan 8.150 nan 0.000 0.445 491 I N -0.671 119.912 120.570 0.022 0.000 2.353 491 I HA -0.186 3.984 4.170 0.000 0.000 0.248 491 I C 2.899 179.035 176.117 0.031 0.000 1.119 491 I CA 0.676 61.993 61.300 0.027 0.000 1.417 491 I CB -0.312 37.711 38.000 0.038 0.000 1.078 491 I HN 0.372 nan 8.210 nan 0.000 0.421 492 A N 1.365 124.208 122.820 0.038 0.000 1.836 492 A HA -0.307 4.013 4.320 0.000 0.000 0.215 492 A C 2.393 179.995 177.584 0.030 0.000 1.214 492 A CA 2.239 54.297 52.037 0.035 0.000 0.636 492 A CB -1.040 17.980 19.000 0.032 0.000 0.847 492 A HN 0.387 nan 8.150 nan 0.000 0.451 493 R N -0.141 120.372 120.500 0.021 0.000 2.227 493 R HA -0.305 4.035 4.340 0.000 0.000 0.246 493 R C 2.157 178.477 176.300 0.034 0.000 1.119 493 R CA 2.802 58.915 56.100 0.022 0.000 0.930 493 R CB -1.014 29.275 30.300 -0.019 0.000 0.912 493 R HN 0.516 nan 8.270 nan 0.000 0.435 494 A N 0.539 123.371 122.820 0.020 0.000 2.024 494 A HA -0.150 4.170 4.320 0.000 0.000 0.220 494 A C 2.149 179.751 177.584 0.029 0.000 1.164 494 A CA 1.428 53.479 52.037 0.024 0.000 0.643 494 A CB -0.422 18.587 19.000 0.016 0.000 0.806 494 A HN 0.425 nan 8.150 nan 0.000 0.451 495 L N -1.050 120.191 121.223 0.030 0.000 2.095 495 L HA 0.010 4.350 4.340 0.000 0.000 0.204 495 L C 2.244 179.131 176.870 0.028 0.000 1.080 495 L CA 1.551 56.405 54.840 0.025 0.000 0.759 495 L CB -0.555 41.517 42.059 0.023 0.000 0.914 495 L HN 0.438 nan 8.230 nan 0.000 0.439 496 L N -0.322 120.929 121.223 0.048 0.000 2.017 496 L HA -0.200 4.140 4.340 0.000 0.000 0.208 496 L C 2.567 179.498 176.870 0.102 0.000 1.073 496 L CA 1.712 56.591 54.840 0.065 0.000 0.745 496 L CB -0.744 41.390 42.059 0.125 0.000 0.894 496 L HN 0.159 nan 8.230 nan 0.000 0.432 497 R N 0.289 120.879 120.500 0.149 0.000 2.140 497 R HA -0.225 4.115 4.340 0.000 0.000 0.250 497 R C 0.308 176.664 176.300 0.094 0.000 1.150 497 R CA 1.263 57.468 56.100 0.174 0.000 0.966 497 R CB -0.745 29.616 30.300 0.101 0.000 0.869 497 R HN 0.610 nan 8.270 nan 0.000 0.445 498 D N -0.005 120.419 120.400 0.041 0.000 3.357 498 D HA -0.147 4.493 4.640 0.000 0.000 0.238 498 D C -1.037 175.266 176.300 0.005 0.000 1.126 498 D CA 0.784 54.789 54.000 0.007 0.000 0.984 498 D CB -0.564 40.222 40.800 -0.023 0.000 0.925 498 D HN 0.228 nan 8.370 nan 0.000 0.414 499 S N 2.302 118.002 115.700 0.001 0.000 2.722 499 S HA 0.723 5.193 4.470 0.000 0.000 0.292 499 S C -1.664 172.925 174.600 -0.019 0.000 1.135 499 S CA -1.002 57.191 58.200 -0.010 0.000 1.003 499 S CB 1.825 65.015 63.200 -0.016 0.000 1.067 499 S HN 0.127 nan 8.310 nan 0.000 0.546 500 P HA 0.268 nan 4.420 nan 0.000 0.222 500 P C -0.517 176.762 177.300 -0.034 0.000 1.153 500 P CA 0.830 63.913 63.100 -0.030 0.000 0.798 500 P CB 0.110 31.788 31.700 -0.036 0.000 0.796 501 I N 0.087 120.631 120.570 -0.044 0.000 2.382 501 I HA 0.241 4.411 4.170 0.000 0.000 0.285 501 I C -0.808 175.285 176.117 -0.039 0.000 1.007 501 I CA -1.025 60.246 61.300 -0.049 0.000 1.142 501 I CB 1.716 39.672 38.000 -0.072 0.000 1.289 501 I HN -0.234 nan 8.210 nan 0.000 0.453 502 L N 8.986 130.192 121.223 -0.028 0.000 2.319 502 L HA 0.621 4.961 4.340 0.000 0.000 0.281 502 L C -0.929 175.932 176.870 -0.015 0.000 1.005 502 L CA -0.138 54.691 54.840 -0.017 0.000 0.828 502 L CB 1.069 43.123 42.059 -0.009 0.000 1.227 502 L HN 0.391 nan 8.230 nan 0.000 0.415 503 I N 6.339 126.903 120.570 -0.010 0.000 2.339 503 I HA 0.329 4.499 4.170 0.000 0.000 0.290 503 I C -0.628 175.491 176.117 0.003 0.000 0.994 503 I CA -0.416 60.881 61.300 -0.006 0.000 1.191 503 I CB 1.407 39.405 38.000 -0.003 0.000 1.343 503 I HN 0.467 nan 8.210 nan 0.000 0.458 504 L N 5.758 126.980 121.223 -0.001 0.000 2.371 504 L HA 0.290 4.630 4.340 0.000 0.000 0.262 504 L C -0.257 176.608 176.870 -0.009 0.000 1.054 504 L CA -0.434 54.406 54.840 -0.001 0.000 0.924 504 L CB 0.650 42.708 42.059 -0.001 0.000 1.295 504 L HN 0.523 nan 8.230 nan 0.000 0.441 505 D N 4.523 124.918 120.400 -0.008 0.000 2.455 505 D HA -0.015 4.625 4.640 0.000 0.000 0.234 505 D C 0.805 177.085 176.300 -0.033 0.000 1.224 505 D CA 0.391 54.378 54.000 -0.022 0.000 0.999 505 D CB 0.160 40.951 40.800 -0.016 0.000 1.072 505 D HN 0.550 nan 8.370 nan 0.000 0.514 506 E N 1.857 122.031 120.200 -0.045 0.000 2.389 506 E HA -0.319 4.031 4.350 0.000 0.000 0.243 506 E C 0.523 177.111 176.600 -0.021 0.000 1.154 506 E CA 0.471 56.844 56.400 -0.045 0.000 0.723 506 E CB -0.971 28.688 29.700 -0.069 0.000 1.261 506 E HN 0.538 nan 8.360 nan 0.000 0.390 507 A N -0.439 122.373 122.820 -0.013 0.000 2.186 507 A HA -0.165 4.155 4.320 0.000 0.000 0.219 507 A C 1.967 179.548 177.584 -0.004 0.000 1.159 507 A CA 1.751 53.785 52.037 -0.005 0.000 0.680 507 A CB -0.166 18.834 19.000 -0.000 0.000 0.787 507 A HN 0.433 nan 8.150 nan 0.000 0.467 508 T N -1.117 113.434 114.554 -0.005 0.000 3.044 508 T HA 0.033 4.383 4.350 0.000 0.000 0.255 508 T C 1.795 176.491 174.700 -0.007 0.000 1.073 508 T CA 0.760 62.855 62.100 -0.007 0.000 1.125 508 T CB -0.106 68.759 68.868 -0.005 0.000 0.908 508 T HN 0.495 nan 8.240 nan 0.000 0.480 509 S N 1.592 117.292 115.700 -0.001 0.000 2.600 509 S HA -0.324 4.146 4.470 0.000 0.000 0.462 509 S C 1.089 175.687 174.600 -0.002 0.000 1.124 509 S CA 1.834 60.035 58.200 0.003 0.000 2.567 509 S CB -0.927 62.271 63.200 -0.002 0.000 1.938 509 S HN 0.861 nan 8.310 nan 0.000 0.503 510 A N 1.037 123.850 122.820 -0.013 0.000 2.802 510 A HA 0.701 5.021 4.320 0.000 0.000 0.344 510 A C -0.650 176.914 177.584 -0.033 0.000 1.215 510 A CA -0.359 51.665 52.037 -0.021 0.000 0.821 510 A CB 0.288 19.274 19.000 -0.024 0.000 1.099 510 A HN 0.362 nan 8.150 nan 0.000 0.479 511 L N 0.645 121.847 121.223 -0.035 0.000 2.422 511 L HA 0.359 4.699 4.340 0.000 0.000 0.264 511 L C -0.648 176.186 176.870 -0.060 0.000 0.984 511 L CA -1.057 53.751 54.840 -0.053 0.000 0.819 511 L CB 2.347 44.372 42.059 -0.057 0.000 1.330 511 L HN 0.619 nan 8.230 nan 0.000 0.410 512 D N 0.970 121.322 120.400 -0.079 0.000 2.426 512 D HA -0.076 4.564 4.640 0.000 0.000 0.261 512 D C 1.335 177.582 176.300 -0.090 0.000 1.245 512 D CA 0.621 54.573 54.000 -0.079 0.000 0.917 512 D CB 1.122 41.866 40.800 -0.095 0.000 1.123 512 D HN 0.595 nan 8.370 nan 0.000 0.508 513 T N 2.725 117.243 114.554 -0.059 0.000 2.624 513 T HA -0.351 3.999 4.350 0.000 0.000 0.266 513 T C 1.546 176.202 174.700 -0.072 0.000 1.050 513 T CA 2.219 64.288 62.100 -0.051 0.000 1.163 513 T CB -0.269 68.582 68.868 -0.028 0.000 0.861 513 T HN 0.666 nan 8.240 nan 0.000 0.443 514 E N -0.443 119.711 120.200 -0.078 0.000 2.038 514 E HA -0.126 4.224 4.350 0.000 0.000 0.195 514 E C 2.459 178.948 176.600 -0.185 0.000 1.000 514 E CA 1.596 57.942 56.400 -0.090 0.000 0.803 514 E CB -0.318 29.346 29.700 -0.060 0.000 0.750 514 E HN 0.575 nan 8.360 nan 0.000 0.448 515 S N 0.881 116.403 115.700 -0.297 0.000 2.370 515 S HA -0.242 4.228 4.470 0.000 0.000 0.226 515 S C 1.792 176.170 174.600 -0.371 0.000 1.033 515 S CA 1.529 59.367 58.200 -0.602 0.000 1.011 515 S CB -0.396 62.474 63.200 -0.550 0.000 0.852 515 S HN 0.429 nan 8.310 nan 0.000 0.457 516 E N 1.713 121.794 120.200 -0.199 0.000 2.013 516 E HA -0.271 4.079 4.350 0.000 0.000 0.202 516 E C 2.260 178.807 176.600 -0.088 0.000 1.018 516 E CA 1.304 57.636 56.400 -0.112 0.000 0.834 516 E CB -0.268 29.390 29.700 -0.069 0.000 0.770 516 E HN 0.333 nan 8.360 nan 0.000 0.459 517 R N -0.033 120.423 120.500 -0.072 0.000 2.154 517 R HA -0.213 4.127 4.340 0.000 0.000 0.248 517 R C 2.264 178.543 176.300 -0.034 0.000 1.155 517 R CA 1.348 57.423 56.100 -0.042 0.000 0.979 517 R CB -0.359 29.923 30.300 -0.030 0.000 0.869 517 R HN 0.355 nan 8.270 nan 0.000 0.452 518 A N 0.811 123.589 122.820 -0.070 0.000 1.877 518 A HA -0.165 4.155 4.320 0.000 0.000 0.216 518 A C 2.091 179.697 177.584 0.035 0.000 1.186 518 A CA 1.489 53.522 52.037 -0.006 0.000 0.620 518 A CB -0.468 18.497 19.000 -0.058 0.000 0.822 518 A HN 0.325 nan 8.150 nan 0.000 0.443 519 I N -0.864 119.706 120.570 -0.001 0.000 2.142 519 I HA -0.312 3.858 4.170 0.000 0.000 0.240 519 I C 2.749 178.879 176.117 0.023 0.000 1.078 519 I CA 1.826 63.147 61.300 0.035 0.000 1.343 519 I CB -0.427 37.584 38.000 0.018 0.000 1.046 519 I HN 0.420 nan 8.210 nan 0.000 0.405 520 Q N 1.397 121.199 119.800 0.003 0.000 2.082 520 Q HA -0.293 4.047 4.340 0.000 0.000 0.211 520 Q C 2.134 178.140 176.000 0.010 0.000 1.002 520 Q CA 2.874 58.679 55.803 0.003 0.000 0.868 520 Q CB -0.524 28.210 28.738 -0.006 0.000 0.931 520 Q HN 0.528 nan 8.270 nan 0.000 0.414 521 A N 0.201 123.030 122.820 0.015 0.000 1.865 521 A HA -0.103 4.217 4.320 0.000 0.000 0.217 521 A C 2.349 179.947 177.584 0.024 0.000 1.191 521 A CA 2.516 54.565 52.037 0.020 0.000 0.623 521 A CB -1.476 17.540 19.000 0.028 0.000 0.826 521 A HN 0.618 nan 8.150 nan 0.000 0.444 522 A N -0.207 122.635 122.820 0.035 0.000 1.873 522 A HA -0.147 4.173 4.320 0.000 0.000 0.218 522 A C 2.211 179.808 177.584 0.023 0.000 1.193 522 A CA 1.725 53.783 52.037 0.035 0.000 0.629 522 A CB -0.805 18.227 19.000 0.053 0.000 0.826 522 A HN 0.504 nan 8.150 nan 0.000 0.447 523 L N -0.540 120.695 121.223 0.021 0.000 1.956 523 L HA -0.291 4.049 4.340 0.000 0.000 0.216 523 L C 2.402 179.277 176.870 0.009 0.000 1.073 523 L CA 1.904 56.752 54.840 0.013 0.000 0.762 523 L CB -1.022 41.043 42.059 0.010 0.000 0.889 523 L HN 0.358 nan 8.230 nan 0.000 0.433 524 D N -0.365 120.040 120.400 0.008 0.000 2.157 524 D HA -0.255 4.385 4.640 0.000 0.000 0.191 524 D C 2.104 178.407 176.300 0.005 0.000 1.004 524 D CA 1.373 55.376 54.000 0.005 0.000 0.854 524 D CB -0.290 40.513 40.800 0.005 0.000 0.936 524 D HN 0.298 nan 8.370 nan 0.000 0.446 525 E N 0.535 120.739 120.200 0.007 0.000 2.085 525 E HA -0.152 4.198 4.350 0.000 0.000 0.194 525 E C 2.261 178.862 176.600 0.002 0.000 0.994 525 E CA 0.597 57.000 56.400 0.005 0.000 0.801 525 E CB -0.340 29.364 29.700 0.008 0.000 0.743 525 E HN 0.339 nan 8.360 nan 0.000 0.453 526 L N 0.588 121.812 121.223 0.002 0.000 2.062 526 L HA -0.133 4.207 4.340 0.000 0.000 0.202 526 L C 2.762 179.630 176.870 -0.003 0.000 1.079 526 L CA 1.345 56.184 54.840 -0.002 0.000 0.755 526 L CB -0.446 41.612 42.059 -0.001 0.000 0.913 526 L HN 0.107 nan 8.230 nan 0.000 0.445 527 Q N -0.317 119.483 119.800 -0.001 0.000 2.458 527 Q HA -0.301 4.039 4.340 0.000 0.000 0.215 527 Q C 1.696 177.695 176.000 -0.002 0.000 0.989 527 Q CA 1.565 57.367 55.803 -0.002 0.000 0.895 527 Q CB -0.395 28.343 28.738 -0.001 0.000 0.934 527 Q HN 0.237 nan 8.270 nan 0.000 0.475 528 K N 0.958 121.357 120.400 -0.002 0.000 2.218 528 K HA -0.137 4.183 4.320 0.000 0.000 0.205 528 K C 1.139 177.737 176.600 -0.003 0.000 1.046 528 K CA 1.817 58.103 56.287 -0.001 0.000 0.933 528 K CB 0.116 32.615 32.500 -0.001 0.000 0.728 528 K HN 0.474 nan 8.250 nan 0.000 0.454 529 N N -0.613 118.084 118.700 -0.004 0.000 2.511 529 N HA 0.026 4.766 4.740 0.000 0.000 0.190 529 N C 0.378 175.885 175.510 -0.006 0.000 1.037 529 N CA 0.298 53.345 53.050 -0.005 0.000 0.895 529 N CB -0.112 38.371 38.487 -0.007 0.000 1.149 529 N HN -0.075 nan 8.380 nan 0.000 0.437 530 R N 0.982 121.477 120.500 -0.008 0.000 2.840 530 R HA 0.231 4.571 4.340 0.000 0.000 0.282 530 R C 0.068 176.362 176.300 -0.010 0.000 1.133 530 R CA 0.341 56.434 56.100 -0.010 0.000 1.208 530 R CB -0.248 30.044 30.300 -0.012 0.000 1.160 530 R HN -0.012 nan 8.270 nan 0.000 0.576 531 T N 0.785 115.330 114.554 -0.015 0.000 2.743 531 T HA 0.373 4.723 4.350 0.000 0.000 0.293 531 T C -0.486 174.203 174.700 -0.017 0.000 0.945 531 T CA -0.297 61.794 62.100 -0.016 0.000 1.030 531 T CB 0.669 69.523 68.868 -0.023 0.000 0.912 531 T HN 0.334 nan 8.240 nan 0.000 0.483 532 S N 3.655 119.347 115.700 -0.012 0.000 2.519 532 S HA 0.510 4.980 4.470 0.000 0.000 0.309 532 S C -0.966 173.628 174.600 -0.010 0.000 1.100 532 S CA -0.791 57.402 58.200 -0.011 0.000 1.059 532 S CB 1.114 64.311 63.200 -0.006 0.000 1.008 532 S HN 0.555 nan 8.310 nan 0.000 0.478 533 L N 5.210 126.425 121.223 -0.014 0.000 2.337 533 L HA 0.603 4.943 4.340 0.000 0.000 0.269 533 L C -0.925 175.941 176.870 -0.007 0.000 1.018 533 L CA -0.434 54.399 54.840 -0.012 0.000 0.876 533 L CB 0.794 42.837 42.059 -0.027 0.000 1.236 533 L HN 0.533 nan 8.230 nan 0.000 0.436 534 V N 7.390 127.304 119.914 -0.001 0.000 2.427 534 V HA 0.490 4.610 4.120 0.000 0.000 0.286 534 V C -0.362 175.730 176.094 -0.003 0.000 1.034 534 V CA -0.563 61.736 62.300 -0.002 0.000 0.893 534 V CB 1.949 33.773 31.823 0.001 0.000 0.982 534 V HN 0.620 nan 8.190 nan 0.000 0.452 535 I N 7.564 128.125 120.570 -0.016 0.000 2.563 535 I HA 0.741 4.911 4.170 0.000 0.000 0.276 535 I C -0.255 175.821 176.117 -0.067 0.000 1.074 535 I CA -0.023 61.257 61.300 -0.033 0.000 1.124 535 I CB 0.758 38.736 38.000 -0.036 0.000 1.225 535 I HN 0.773 nan 8.210 nan 0.000 0.482 536 A N 5.981 128.766 122.820 -0.058 0.000 2.414 536 A HA 0.681 5.001 4.320 0.000 0.000 0.278 536 A C -0.208 177.341 177.584 -0.057 0.000 1.228 536 A CA -0.313 51.685 52.037 -0.066 0.000 0.857 536 A CB 1.093 20.088 19.000 -0.010 0.000 1.389 536 A HN 0.714 nan 8.150 nan 0.000 0.452 537 H N -0.612 118.451 119.070 -0.011 0.000 2.695 537 H HA 0.244 4.800 4.556 0.000 0.000 0.267 537 H C 0.267 175.582 175.328 -0.022 0.000 0.973 537 H CA 0.457 56.493 56.048 -0.020 0.000 1.223 537 H CB 0.314 30.064 29.762 -0.020 0.000 1.442 537 H HN 0.497 nan 8.280 nan 0.000 0.478 538 R N 2.236 122.806 120.500 0.116 0.000 3.247 538 R HA 0.055 4.395 4.340 0.000 0.000 0.212 538 R C 1.041 177.370 176.300 0.049 0.000 1.604 538 R CA -0.184 55.954 56.100 0.062 0.000 1.279 538 R CB -0.351 29.976 30.300 0.044 0.000 1.277 538 R HN 0.215 nan 8.270 nan 0.000 0.669 539 L N 0.359 121.610 121.223 0.047 0.000 2.198 539 L HA -0.409 3.931 4.340 0.000 0.000 0.218 539 L C 2.420 179.303 176.870 0.022 0.000 1.084 539 L CA 1.577 56.434 54.840 0.029 0.000 0.779 539 L CB -0.657 41.417 42.059 0.025 0.000 0.890 539 L HN 0.489 nan 8.230 nan 0.000 0.439 540 S N -0.735 114.995 115.700 0.050 0.000 2.423 540 S HA -0.198 4.272 4.470 0.000 0.000 0.238 540 S C 1.547 176.143 174.600 -0.007 0.000 1.028 540 S CA 1.825 60.045 58.200 0.033 0.000 1.000 540 S CB -0.444 62.784 63.200 0.046 0.000 0.797 540 S HN 0.688 nan 8.310 nan 0.000 0.487 541 T N -1.332 113.221 114.554 -0.001 0.000 3.268 541 T HA 0.539 4.889 4.350 0.000 0.000 0.244 541 T C 0.494 175.189 174.700 -0.008 0.000 0.915 541 T CA -0.340 61.755 62.100 -0.007 0.000 0.935 541 T CB -0.029 68.839 68.868 -0.001 0.000 1.110 541 T HN 0.317 nan 8.240 nan 0.000 0.573 542 I N -1.143 119.412 120.570 -0.025 0.000 5.285 542 I HA 0.202 4.372 4.170 0.000 0.000 0.351 542 I C 1.753 177.839 176.117 -0.053 0.000 1.206 542 I CA -0.141 61.154 61.300 -0.009 0.000 1.527 542 I CB 0.060 38.084 38.000 0.040 0.000 1.694 542 I HN 0.132 nan 8.210 nan 0.000 0.585 543 E N 2.083 122.177 120.200 -0.176 0.000 2.324 543 E HA -0.271 4.079 4.350 0.000 0.000 0.205 543 E C 0.607 177.096 176.600 -0.185 0.000 1.031 543 E CA 1.539 57.673 56.400 -0.442 0.000 0.836 543 E CB -0.166 29.185 29.700 -0.581 0.000 0.742 543 E HN 0.640 nan 8.360 nan 0.000 0.491 544 Q N -0.745 119.007 119.800 -0.080 0.000 2.318 544 Q HA 0.546 4.886 4.340 0.000 0.000 0.371 544 Q C -0.616 175.380 176.000 -0.007 0.000 0.896 544 Q CA -0.443 55.344 55.803 -0.027 0.000 1.134 544 Q CB 1.316 30.040 28.738 -0.023 0.000 1.329 544 Q HN -0.024 nan 8.270 nan 0.000 0.413 545 A N 0.446 123.268 122.820 0.003 0.000 2.312 545 A HA 0.283 4.603 4.320 0.000 0.000 0.328 545 A C 0.413 178.003 177.584 0.011 0.000 1.158 545 A CA -0.559 51.484 52.037 0.010 0.000 0.821 545 A CB 0.669 19.681 19.000 0.020 0.000 1.170 545 A HN 0.294 nan 8.150 nan 0.000 0.490 546 D N 0.039 120.444 120.400 0.009 0.000 2.265 546 D HA -0.072 4.568 4.640 0.000 0.000 0.208 546 D C 0.348 176.651 176.300 0.006 0.000 0.977 546 D CA 1.703 55.707 54.000 0.007 0.000 0.871 546 D CB 0.461 41.265 40.800 0.006 0.000 0.925 546 D HN 0.731 nan 8.370 nan 0.000 0.485 547 E N -0.663 119.543 120.200 0.011 0.000 2.431 547 E HA 0.244 4.594 4.350 0.000 0.000 0.287 547 E C -1.869 174.744 176.600 0.022 0.000 1.032 547 E CA -0.551 55.854 56.400 0.008 0.000 0.839 547 E CB 1.179 30.885 29.700 0.010 0.000 1.218 547 E HN -0.219 nan 8.360 nan 0.000 0.424 548 I N 2.927 123.507 120.570 0.018 0.000 2.389 548 I HA 0.269 4.439 4.170 0.000 0.000 0.288 548 I C -0.489 175.664 176.117 0.061 0.000 0.999 548 I CA -0.685 60.650 61.300 0.058 0.000 1.129 548 I CB 1.872 39.931 38.000 0.099 0.000 1.288 548 I HN 0.256 nan 8.210 nan 0.000 0.444 549 V N 7.260 127.221 119.914 0.079 0.000 2.304 549 V HA 0.252 4.372 4.120 0.000 0.000 0.262 549 V C 0.154 176.306 176.094 0.097 0.000 1.061 549 V CA -0.723 61.622 62.300 0.076 0.000 0.872 549 V CB 0.971 32.838 31.823 0.073 0.000 1.077 549 V HN 0.426 nan 8.190 nan 0.000 0.480 550 V N 5.863 125.843 119.914 0.111 0.000 2.508 550 V HA 0.314 4.434 4.120 0.000 0.000 0.281 550 V C 0.139 176.284 176.094 0.085 0.000 1.041 550 V CA 0.095 62.472 62.300 0.130 0.000 1.016 550 V CB 1.492 33.411 31.823 0.160 0.000 0.984 550 V HN 0.571 nan 8.190 nan 0.000 0.478 551 V N 5.596 125.557 119.914 0.078 0.000 2.686 551 V HA 0.643 4.763 4.120 0.000 0.000 0.306 551 V C -0.693 175.435 176.094 0.058 0.000 1.065 551 V CA -0.230 62.106 62.300 0.060 0.000 0.894 551 V CB 1.910 33.767 31.823 0.056 0.000 1.004 551 V HN 1.023 nan 8.190 nan 0.000 0.424 552 E N 4.356 124.585 120.200 0.049 0.000 2.340 552 E HA 0.304 4.654 4.350 0.000 0.000 0.273 552 E C -0.929 175.695 176.600 0.040 0.000 0.891 552 E CA -0.540 55.887 56.400 0.045 0.000 0.757 552 E CB 1.661 31.386 29.700 0.041 0.000 1.231 552 E HN 0.898 nan 8.360 nan 0.000 0.439 553 D N 2.865 123.289 120.400 0.040 0.000 2.890 553 D HA -0.209 4.431 4.640 0.000 0.000 0.226 553 D C 0.677 177.002 176.300 0.042 0.000 1.207 553 D CA 1.581 55.604 54.000 0.038 0.000 0.764 553 D CB -0.990 39.829 40.800 0.031 0.000 0.948 553 D HN 0.952 nan 8.370 nan 0.000 0.404 554 G N 1.367 110.198 108.800 0.052 0.000 2.216 554 G HA2 -0.323 3.637 3.960 0.000 0.000 0.269 554 G HA3 -0.323 3.637 3.960 0.000 0.000 0.269 554 G C 0.561 175.488 174.900 0.045 0.000 0.981 554 G CA 0.805 45.940 45.100 0.059 0.000 0.658 554 G HN 0.722 nan 8.290 nan 0.000 0.539 555 I N -0.095 120.496 120.570 0.036 0.000 2.619 555 I HA 0.612 4.782 4.170 0.000 0.000 0.292 555 I C 0.350 176.481 176.117 0.023 0.000 1.100 555 I CA -1.523 59.791 61.300 0.023 0.000 1.043 555 I CB 1.537 39.548 38.000 0.017 0.000 1.239 555 I HN 0.145 nan 8.210 nan 0.000 0.420 556 I N 7.141 127.719 120.570 0.014 0.000 2.813 556 I HA 0.040 4.210 4.170 0.000 0.000 0.287 556 I C -0.167 175.963 176.117 0.021 0.000 1.196 556 I CA 0.543 61.855 61.300 0.020 0.000 1.421 556 I CB 0.993 38.996 38.000 0.006 0.000 1.365 556 I HN 0.544 nan 8.210 nan 0.000 0.591 557 V N 4.771 124.703 119.914 0.031 0.000 3.392 557 V HA 0.366 4.486 4.120 0.000 0.000 0.285 557 V C -0.370 175.742 176.094 0.031 0.000 1.582 557 V CA -0.052 62.266 62.300 0.030 0.000 1.034 557 V CB 0.349 32.195 31.823 0.038 0.000 0.846 557 V HN 0.764 nan 8.190 nan 0.000 0.431 558 E N 1.391 121.612 120.200 0.034 0.000 2.597 558 E HA 0.348 4.698 4.350 0.000 0.000 0.310 558 E C -1.372 175.238 176.600 0.017 0.000 0.970 558 E CA -0.277 56.136 56.400 0.023 0.000 0.819 558 E CB 1.672 31.392 29.700 0.032 0.000 1.267 558 E HN 0.338 nan 8.360 nan 0.000 0.411 559 R N 1.931 122.430 120.500 -0.003 0.000 2.337 559 R HA 0.808 5.148 4.340 0.000 0.000 0.319 559 R C 0.135 176.413 176.300 -0.038 0.000 0.954 559 R CA -0.746 55.350 56.100 -0.007 0.000 0.840 559 R CB 1.793 32.094 30.300 0.002 0.000 1.164 559 R HN 0.477 nan 8.270 nan 0.000 0.472 560 G N 0.906 109.666 108.800 -0.066 0.000 2.623 560 G HA2 0.262 4.222 3.960 0.000 0.000 0.290 560 G HA3 0.262 4.222 3.960 0.000 0.000 0.290 560 G C -0.831 173.991 174.900 -0.129 0.000 1.437 560 G CA -0.544 44.494 45.100 -0.103 0.000 0.798 560 G HN 0.262 nan 8.290 nan 0.000 0.488 561 T N -0.100 114.383 114.554 -0.119 0.000 2.860 561 T HA 0.151 4.501 4.350 0.000 0.000 0.299 561 T C 1.479 176.078 174.700 -0.169 0.000 1.045 561 T CA 0.360 62.404 62.100 -0.094 0.000 1.071 561 T CB 0.953 69.785 68.868 -0.060 0.000 0.985 561 T HN 0.716 nan 8.240 nan 0.000 0.537 562 H N 1.383 120.337 119.070 -0.192 0.000 2.400 562 H HA -0.131 4.425 4.556 0.000 0.000 0.295 562 H C 2.293 177.469 175.328 -0.254 0.000 1.118 562 H CA 2.456 58.360 56.048 -0.240 0.000 1.256 562 H CB -0.266 29.439 29.762 -0.094 0.000 1.365 562 H HN 0.460 nan 8.280 nan 0.000 0.502 563 S N -0.577 114.969 115.700 -0.257 0.000 2.336 563 S HA -0.146 4.324 4.470 0.000 0.000 0.214 563 S C 1.973 176.413 174.600 -0.266 0.000 1.032 563 S CA 1.248 59.291 58.200 -0.263 0.000 1.001 563 S CB -0.218 62.910 63.200 -0.119 0.000 0.953 563 S HN 0.709 nan 8.310 nan 0.000 0.430 564 E N 0.934 121.011 120.200 -0.205 0.000 2.065 564 E HA -0.227 4.123 4.350 0.000 0.000 0.201 564 E C 2.199 178.653 176.600 -0.243 0.000 1.016 564 E CA 1.662 57.953 56.400 -0.183 0.000 0.818 564 E CB -0.540 29.077 29.700 -0.138 0.000 0.749 564 E HN 0.435 nan 8.360 nan 0.000 0.453 565 L N 0.660 121.675 121.223 -0.348 0.000 1.956 565 L HA -0.253 4.087 4.340 0.000 0.000 0.216 565 L C 2.609 179.254 176.870 -0.375 0.000 1.073 565 L CA 0.917 55.494 54.840 -0.438 0.000 0.762 565 L CB -0.593 40.904 42.059 -0.938 0.000 0.889 565 L HN 0.245 nan 8.230 nan 0.000 0.433 566 L N -0.105 120.844 121.223 -0.457 0.000 1.991 566 L HA -0.323 4.017 4.340 0.000 0.000 0.221 566 L C 2.784 179.414 176.870 -0.400 0.000 1.079 566 L CA 2.550 57.220 54.840 -0.283 0.000 0.778 566 L CB -1.362 40.498 42.059 -0.330 0.000 0.893 566 L HN 0.377 nan 8.230 nan 0.000 0.437 567 A N -1.058 121.550 122.820 -0.354 0.000 1.908 567 A HA -0.309 4.011 4.320 0.000 0.000 0.218 567 A C 2.212 179.575 177.584 -0.368 0.000 1.181 567 A CA 1.944 53.773 52.037 -0.347 0.000 0.627 567 A CB -0.671 18.220 19.000 -0.182 0.000 0.818 567 A HN 0.654 nan 8.150 nan 0.000 0.445 568 Q N -1.824 117.834 119.800 -0.236 0.000 2.291 568 Q HA -0.209 4.131 4.340 0.000 0.000 0.206 568 Q C -0.267 175.728 176.000 -0.008 0.000 0.976 568 Q CA 1.094 56.836 55.803 -0.102 0.000 0.875 568 Q CB -0.157 28.535 28.738 -0.076 0.000 0.927 568 Q HN 0.737 nan 8.270 nan 0.000 0.450 569 H N -1.991 117.091 119.070 0.019 0.000 2.770 569 H HA -0.151 4.405 4.556 0.000 0.000 0.309 569 H C -0.356 174.999 175.328 0.045 0.000 1.206 569 H CA 0.990 57.063 56.048 0.041 0.000 1.147 569 H CB -1.790 27.989 29.762 0.028 0.000 1.422 569 H HN 0.410 nan 8.280 nan 0.000 0.420 570 G N -0.090 108.785 108.800 0.126 0.000 2.788 570 G HA2 0.431 4.391 3.960 0.000 0.000 0.327 570 G HA3 0.431 4.391 3.960 0.000 0.000 0.327 570 G C 0.935 175.909 174.900 0.123 0.000 1.249 570 G CA 0.257 45.420 45.100 0.104 0.000 1.063 570 G HN 0.533 nan 8.290 nan 0.000 0.497 571 V N 2.552 122.531 119.914 0.109 0.000 1.282 571 V HA -0.436 3.684 4.120 0.000 0.000 0.028 571 V C 1.723 177.886 176.094 0.116 0.000 1.758 571 V CA 3.267 65.621 62.300 0.091 0.000 2.654 571 V CB -1.578 30.285 31.823 0.067 0.000 1.549 571 V HN 0.966 nan 8.190 nan 0.000 0.905 572 Y N 1.180 121.498 120.300 0.031 0.000 2.130 572 Y HA 0.134 4.684 4.550 0.000 0.000 0.287 572 Y C 2.327 178.259 175.900 0.053 0.000 1.124 572 Y CA 3.201 61.321 58.100 0.032 0.000 1.118 572 Y CB -0.977 37.489 38.460 0.009 0.000 0.994 572 Y HN 0.415 nan 8.280 nan 0.000 0.497 573 A N 0.885 123.962 122.820 0.429 0.000 1.903 573 A HA -0.328 3.992 4.320 0.000 0.000 0.219 573 A C 2.270 179.953 177.584 0.166 0.000 1.191 573 A CA 2.206 54.437 52.037 0.324 0.000 0.638 573 A CB -1.126 18.021 19.000 0.246 0.000 0.823 573 A HN 0.641 nan 8.150 nan 0.000 0.451 574 Q N -0.244 119.623 119.800 0.113 0.000 2.062 574 Q HA -0.206 4.134 4.340 0.000 0.000 0.209 574 Q C 2.168 178.143 176.000 -0.041 0.000 0.996 574 Q CA 2.175 57.998 55.803 0.033 0.000 0.859 574 Q CB -0.453 28.301 28.738 0.027 0.000 0.920 574 Q HN 0.743 nan 8.270 nan 0.000 0.415 575 L N -0.593 120.588 121.223 -0.071 0.000 2.083 575 L HA -0.200 4.140 4.340 0.000 0.000 0.209 575 L C 2.468 179.248 176.870 -0.150 0.000 1.083 575 L CA 1.375 56.132 54.840 -0.138 0.000 0.752 575 L CB -0.589 41.360 42.059 -0.183 0.000 0.899 575 L HN 0.299 nan 8.230 nan 0.000 0.433 576 H N 0.108 119.026 119.070 -0.253 0.000 2.546 576 H HA -0.085 4.471 4.556 0.000 0.000 0.277 576 H C 2.063 177.228 175.328 -0.271 0.000 1.004 576 H CA 0.934 56.862 56.048 -0.199 0.000 1.231 576 H CB 0.211 29.960 29.762 -0.022 0.000 1.382 576 H HN 0.035 nan 8.280 nan 0.000 0.580 577 K N -0.001 120.233 120.400 -0.276 0.000 2.063 577 K HA -0.023 4.297 4.320 0.000 0.000 0.204 577 K C 1.798 178.028 176.600 -0.617 0.000 1.039 577 K CA 0.804 56.839 56.287 -0.421 0.000 0.957 577 K CB -0.105 32.299 32.500 -0.160 0.000 0.764 577 K HN 0.243 nan 8.250 nan 0.000 0.447 578 M N 1.968 121.355 119.600 -0.356 0.000 2.331 578 M HA -0.191 4.289 4.480 0.000 0.000 0.260 578 M C 1.881 177.948 176.300 -0.388 0.000 1.072 578 M CA 1.257 56.379 55.300 -0.297 0.000 1.065 578 M CB -1.084 31.404 32.600 -0.187 0.000 1.392 578 M HN 0.243 nan 8.290 nan 0.000 0.427 579 Q N 0.695 120.179 119.800 -0.526 0.000 2.207 579 Q HA -0.201 4.139 4.340 0.000 0.000 0.215 579 Q C 0.651 176.467 176.000 -0.307 0.000 1.006 579 Q CA 1.923 57.457 55.803 -0.448 0.000 0.903 579 Q CB -0.069 28.315 28.738 -0.589 0.000 0.947 579 Q HN 0.599 nan 8.270 nan 0.000 0.414 580 F N -3.788 116.116 119.950 -0.076 0.000 3.430 580 F HA 0.724 5.251 4.527 0.000 0.000 0.299 580 F C 0.555 176.327 175.800 -0.045 0.000 1.472 580 F CA -0.412 57.554 58.000 -0.056 0.000 1.004 580 F CB 0.196 39.160 39.000 -0.058 0.000 1.708 580 F HN 0.030 nan 8.300 nan 0.000 0.435 581 G N 0.000 109.023 108.800 0.372 0.000 5.446 581 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 581 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 581 G CA 0.000 45.214 45.100 0.190 0.000 0.502 581 G HN 0.000 nan 8.290 nan 0.000 0.925