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 2qjy_1_M DATA FIRST_RESID 3 DATA SEQUENCE GIPHDHYEPR TGIEKWLHSR LPIVALAYDT IMIPTPRNLN WMWIWGVVLA DATA SEQUENCE FCLVLQIVTG IVLAMHYTPH VDLAFASVEH IMRNVNGGFM LRYLHANGAS DATA SEQUENCE LFFIAVYLHI FRGLYYGSYK APREVTWIVG MLIYLAMMAT AFMGYVLPWG DATA SEQUENCE QMSFWGATVI TGLFGAIPGI GHSIQTWLLG GPAVDNATLN RFFSLHYLLP DATA SEQUENCE FVIAALVAIH IWAFHSTGNN NPTGVEVRRT SKAEAQKDTV PFWPYFIIKD DATA SEQUENCE VFALAVVLLV FFAIVGFMPN YLGHPDNYIE ANPLRTPAHI VPEWYFLPFY DATA SEQUENCE AILRAFTADV WVVQIANFIS FGIIDAKFFG VLAMFGAILV MALVPWLDTS DATA SEQUENCE PVRSGRYRPM FKIYFWLLAA DFVILTWVGA QQTTFPYDWI SLIASAYWFA DATA SEQUENCE YFLVILPILG AIEKPVAPPA TIEEDFNA 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 3 G C 0.000 174.907 174.900 0.011 0.000 0.946 3 G CA 0.000 45.120 45.100 0.033 0.000 0.502 4 I N 2.096 122.683 120.570 0.028 0.000 2.836 4 I HA 0.339 4.508 4.170 -0.001 0.000 0.285 4 I C -1.917 174.194 176.117 -0.009 0.000 1.174 4 I CA -1.971 59.341 61.300 0.020 0.000 1.405 4 I CB 0.299 38.327 38.000 0.047 0.000 1.385 4 I HN -0.138 nan 8.210 nan 0.000 0.594 5 P HA 0.306 nan 4.420 nan 0.000 0.275 5 P C -1.391 175.926 177.300 0.028 0.000 1.227 5 P CA 0.172 63.235 63.100 -0.061 0.000 0.781 5 P CB 0.607 32.288 31.700 -0.031 0.000 0.906 6 H N -1.527 117.572 119.070 0.048 0.000 3.014 6 H HA 0.468 5.023 4.556 -0.002 0.000 0.337 6 H C -1.477 173.906 175.328 0.091 0.000 1.320 6 H CA -1.053 55.042 56.048 0.079 0.000 1.128 6 H CB 0.311 30.136 29.762 0.104 0.000 1.862 6 H HN 0.087 nan 8.280 nan 0.000 0.536 7 D N 1.181 121.845 120.400 0.441 0.000 2.264 7 D HA 0.136 4.775 4.640 -0.001 0.000 0.250 7 D C 0.487 177.149 176.300 0.603 0.000 1.113 7 D CA -0.132 54.118 54.000 0.417 0.000 0.871 7 D CB 0.587 41.573 40.800 0.310 0.000 1.167 7 D HN 0.768 nan 8.370 nan 0.000 0.447 8 H N 0.227 119.540 119.070 0.405 0.000 2.307 8 H HA 0.124 4.679 4.556 -0.001 0.000 0.349 8 H C -0.185 175.340 175.328 0.329 0.000 1.754 8 H CA -0.870 55.423 56.048 0.409 0.000 1.431 8 H CB 0.287 30.239 29.762 0.317 0.000 1.666 8 H HN 0.361 nan 8.280 nan 0.000 0.582 9 Y N 0.250 120.631 120.300 0.134 0.000 2.301 9 Y HA 0.272 4.821 4.550 -0.002 0.000 0.325 9 Y C -0.767 174.866 175.900 -0.444 0.000 1.203 9 Y CA -0.845 56.959 58.100 -0.493 0.000 1.255 9 Y CB 1.323 39.563 38.460 -0.367 0.000 1.232 9 Y HN 0.678 nan 8.280 nan 0.000 0.501 10 E N 6.407 125.681 120.200 -1.544 0.000 2.260 10 E HA 0.413 4.762 4.350 -0.001 0.000 0.266 10 E C -2.931 172.923 176.600 -1.244 0.000 0.887 10 E CA -2.816 52.857 56.400 -1.213 0.000 0.777 10 E CB 1.583 30.897 29.700 -0.642 0.000 1.205 10 E HN 0.363 nan 8.360 nan 0.000 0.414 11 P HA 0.084 nan 4.420 nan 0.000 0.261 11 P C 0.040 177.175 177.300 -0.274 0.000 1.203 11 P CA -0.035 62.795 63.100 -0.450 0.000 0.767 11 P CB 0.759 32.272 31.700 -0.312 0.000 0.785 12 R N 1.430 121.832 120.500 -0.162 0.000 2.009 12 R HA 0.170 4.510 4.340 -0.001 0.000 0.206 12 R C 0.733 177.009 176.300 -0.039 0.000 1.356 12 R CA 0.758 56.798 56.100 -0.101 0.000 1.088 12 R CB -1.281 28.970 30.300 -0.081 0.000 0.959 12 R HN 0.307 nan 8.270 nan 0.000 0.469 13 T N 0.371 114.923 114.554 -0.004 0.000 2.716 13 T HA 0.063 4.412 4.350 -0.001 0.000 0.335 13 T C 1.540 176.260 174.700 0.033 0.000 1.081 13 T CA 0.588 62.697 62.100 0.015 0.000 1.073 13 T CB 0.415 69.300 68.868 0.029 0.000 0.993 13 T HN 0.462 nan 8.240 nan 0.000 0.547 14 G N -0.174 108.647 108.800 0.034 0.000 2.394 14 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.214 14 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.214 14 G C 1.501 176.466 174.900 0.108 0.000 1.176 14 G CA 0.224 45.358 45.100 0.057 0.000 0.786 14 G HN 0.726 nan 8.290 nan 0.000 0.533 15 I N 0.641 121.254 120.570 0.072 0.000 2.264 15 I HA -0.198 3.971 4.170 -0.001 0.000 0.248 15 I C 2.718 178.958 176.117 0.206 0.000 1.111 15 I CA 1.299 62.660 61.300 0.102 0.000 1.382 15 I CB -0.283 37.737 38.000 0.034 0.000 1.060 15 I HN 0.265 nan 8.210 nan 0.000 0.418 16 E N 1.092 121.385 120.200 0.155 0.000 2.051 16 E HA -0.224 4.125 4.350 -0.001 0.000 0.192 16 E C 2.197 178.924 176.600 0.211 0.000 0.991 16 E CA 1.240 57.750 56.400 0.184 0.000 0.799 16 E CB -0.001 29.787 29.700 0.147 0.000 0.748 16 E HN 0.471 nan 8.360 nan 0.000 0.449 17 K N -0.186 120.308 120.400 0.157 0.000 2.097 17 K HA -0.185 4.134 4.320 -0.001 0.000 0.206 17 K C 1.819 178.533 176.600 0.190 0.000 1.049 17 K CA 1.267 57.632 56.287 0.131 0.000 0.933 17 K CB -0.221 32.324 32.500 0.075 0.000 0.717 17 K HN 0.235 nan 8.250 nan 0.000 0.442 18 W N 1.521 122.850 121.300 0.049 0.000 2.379 18 W HA -0.158 4.501 4.660 -0.002 0.000 0.307 18 W C 1.812 178.360 176.519 0.048 0.000 1.200 18 W CA 0.807 58.175 57.345 0.039 0.000 1.297 18 W CB -0.296 29.177 29.460 0.022 0.000 1.140 18 W HN -0.038 nan 8.180 nan 0.000 0.507 19 L N 0.347 121.763 121.223 0.322 0.000 2.017 19 L HA -0.231 4.108 4.340 -0.001 0.000 0.208 19 L C 2.725 179.592 176.870 -0.005 0.000 1.073 19 L CA 2.450 57.376 54.840 0.144 0.000 0.745 19 L CB -1.667 40.545 42.059 0.254 0.000 0.894 19 L HN 0.205 nan 8.230 nan 0.000 0.432 20 H N -0.734 118.349 119.070 0.021 0.000 2.422 20 H HA -0.094 4.461 4.556 -0.001 0.000 0.298 20 H C 1.991 177.289 175.328 -0.050 0.000 1.098 20 H CA 1.560 57.618 56.048 0.016 0.000 1.315 20 H CB 0.207 30.023 29.762 0.090 0.000 1.382 20 H HN 0.564 nan 8.280 nan 0.000 0.523 21 S N -0.435 115.258 115.700 -0.010 0.000 2.603 21 S HA 0.077 4.546 4.470 -0.001 0.000 0.220 21 S C 1.821 176.299 174.600 -0.204 0.000 0.967 21 S CA 0.063 58.216 58.200 -0.078 0.000 0.920 21 S CB 0.252 63.407 63.200 -0.075 0.000 0.773 21 S HN 0.397 nan 8.310 nan 0.000 0.529 22 R N -0.696 119.635 120.500 -0.281 0.000 2.215 22 R HA 0.484 4.823 4.340 -0.001 0.000 0.190 22 R C -0.749 175.416 176.300 -0.226 0.000 0.968 22 R CA 0.042 55.962 56.100 -0.301 0.000 1.122 22 R CB 0.218 30.226 30.300 -0.487 0.000 1.151 22 R HN 0.321 nan 8.270 nan 0.000 0.582 23 L N 2.525 123.619 121.223 -0.215 0.000 2.568 23 L HA 0.360 4.699 4.340 -0.001 0.000 0.262 23 L C -2.572 174.183 176.870 -0.191 0.000 0.980 23 L CA -1.846 52.891 54.840 -0.170 0.000 0.882 23 L CB 2.078 44.067 42.059 -0.117 0.000 1.198 23 L HN -0.113 nan 8.230 nan 0.000 0.425 24 P HA 0.006 nan 4.420 nan 0.000 0.286 24 P C 1.234 178.438 177.300 -0.161 0.000 1.577 24 P CA 0.388 63.304 63.100 -0.307 0.000 0.805 24 P CB 0.005 31.493 31.700 -0.352 0.000 1.706 25 I N -0.210 120.284 120.570 -0.126 0.000 2.315 25 I HA -0.195 3.975 4.170 -0.001 0.000 0.248 25 I C 1.897 177.939 176.117 -0.124 0.000 1.117 25 I CA 1.087 62.324 61.300 -0.105 0.000 1.404 25 I CB 0.186 38.138 38.000 -0.079 0.000 1.071 25 I HN -0.154 nan 8.210 nan 0.000 0.419 26 V N 1.291 121.118 119.914 -0.144 0.000 2.515 26 V HA -0.230 3.889 4.120 -0.001 0.000 0.250 26 V C 2.678 178.488 176.094 -0.472 0.000 1.058 26 V CA 1.619 63.770 62.300 -0.249 0.000 1.064 26 V CB -1.083 30.605 31.823 -0.225 0.000 0.675 26 V HN 0.563 nan 8.190 nan 0.000 0.461 27 A N 0.068 122.641 122.820 -0.412 0.000 1.877 27 A HA -0.189 4.131 4.320 -0.001 0.000 0.216 27 A C 2.162 179.708 177.584 -0.062 0.000 1.186 27 A CA 2.029 53.870 52.037 -0.327 0.000 0.620 27 A CB -0.591 18.514 19.000 0.175 0.000 0.822 27 A HN 0.441 nan 8.150 nan 0.000 0.443 28 L N -0.128 121.062 121.223 -0.055 0.000 2.042 28 L HA -0.100 4.239 4.340 -0.001 0.000 0.210 28 L C 2.687 179.532 176.870 -0.043 0.000 1.076 28 L CA 2.270 57.090 54.840 -0.033 0.000 0.749 28 L CB -0.788 41.225 42.059 -0.076 0.000 0.893 28 L HN 0.359 nan 8.230 nan 0.000 0.432 29 A N -1.327 121.450 122.820 -0.073 0.000 1.883 29 A HA -0.310 4.009 4.320 -0.001 0.000 0.217 29 A C 2.315 179.886 177.584 -0.021 0.000 1.186 29 A CA 1.977 53.978 52.037 -0.060 0.000 0.624 29 A CB -1.280 17.672 19.000 -0.080 0.000 0.822 29 A HN 0.663 nan 8.150 nan 0.000 0.444 30 Y N 1.225 121.429 120.300 -0.159 0.000 2.114 30 Y HA -0.232 4.317 4.550 -0.001 0.000 0.284 30 Y C 1.766 177.662 175.900 -0.007 0.000 1.143 30 Y CA 2.193 60.234 58.100 -0.097 0.000 1.135 30 Y CB -0.236 38.125 38.460 -0.164 0.000 0.980 30 Y HN 0.348 nan 8.280 nan 0.000 0.499 31 D N -0.841 119.595 120.400 0.059 0.000 2.263 31 D HA -0.129 4.510 4.640 -0.001 0.000 0.208 31 D C 1.921 178.208 176.300 -0.021 0.000 0.971 31 D CA 1.625 55.606 54.000 -0.031 0.000 0.867 31 D CB -0.174 40.717 40.800 0.152 0.000 0.929 31 D HN 0.430 nan 8.370 nan 0.000 0.492 32 T N 0.512 115.059 114.554 -0.012 0.000 2.901 32 T HA -0.014 4.335 4.350 -0.001 0.000 0.252 32 T C 1.864 176.671 174.700 0.179 0.000 1.035 32 T CA -0.042 62.063 62.100 0.009 0.000 1.142 32 T CB 0.086 68.884 68.868 -0.117 0.000 0.869 32 T HN 0.029 nan 8.240 nan 0.000 0.442 33 I N 0.959 121.606 120.570 0.127 0.000 2.830 33 I HA 0.076 4.245 4.170 -0.001 0.000 0.263 33 I C 1.444 177.726 176.117 0.274 0.000 1.230 33 I CA 1.063 62.523 61.300 0.266 0.000 1.480 33 I CB -0.224 37.818 38.000 0.070 0.000 1.095 33 I HN 0.111 nan 8.210 nan 0.000 0.455 34 M N -0.438 119.180 119.600 0.029 0.000 2.414 34 M HA 0.249 4.728 4.480 -0.001 0.000 0.251 34 M C 0.962 177.319 176.300 0.094 0.000 1.116 34 M CA -0.242 55.044 55.300 -0.022 0.000 1.056 34 M CB -0.578 31.749 32.600 -0.455 0.000 1.388 34 M HN 0.067 nan 8.290 nan 0.000 0.487 35 I N 5.203 125.870 120.570 0.161 0.000 3.163 35 I HA -0.096 4.074 4.170 -0.001 0.000 0.332 35 I C -1.758 174.481 176.117 0.203 0.000 1.205 35 I CA -0.452 60.963 61.300 0.193 0.000 1.473 35 I CB 0.693 38.819 38.000 0.210 0.000 1.300 35 I HN -0.014 nan 8.210 nan 0.000 0.532 36 P HA 0.092 nan 4.420 nan 0.000 0.271 36 P C -1.103 176.268 177.300 0.118 0.000 1.233 36 P CA -0.036 63.151 63.100 0.145 0.000 0.764 36 P CB 0.544 32.317 31.700 0.120 0.000 0.825 37 T N 5.965 120.620 114.554 0.168 0.000 2.807 37 T HA 0.374 4.723 4.350 -0.001 0.000 0.279 37 T C -2.479 172.282 174.700 0.102 0.000 0.993 37 T CA -1.952 60.227 62.100 0.133 0.000 0.970 37 T CB 0.983 70.016 68.868 0.274 0.000 0.950 37 T HN 0.271 nan 8.240 nan 0.000 0.441 38 P HA 0.019 nan 4.420 nan 0.000 0.261 38 P C 0.455 177.734 177.300 -0.036 0.000 1.165 38 P CA 0.171 63.212 63.100 -0.099 0.000 0.759 38 P CB 0.727 32.312 31.700 -0.192 0.000 0.772 39 R N 2.752 123.170 120.500 -0.136 0.000 2.189 39 R HA -0.108 4.231 4.340 -0.001 0.000 0.223 39 R C 1.583 177.842 176.300 -0.070 0.000 1.092 39 R CA 1.262 57.193 56.100 -0.282 0.000 0.989 39 R CB -0.446 29.267 30.300 -0.979 0.000 0.876 39 R HN 0.582 nan 8.270 nan 0.000 0.457 40 N N 1.109 119.794 118.700 -0.025 0.000 2.383 40 N HA -0.031 4.708 4.740 -0.001 0.000 0.192 40 N C 0.044 175.428 175.510 -0.210 0.000 1.141 40 N CA 0.131 53.201 53.050 0.033 0.000 0.851 40 N CB -0.052 38.451 38.487 0.027 0.000 0.976 40 N HN 0.133 nan 8.380 nan 0.000 0.465 41 L N 1.687 122.683 121.223 -0.378 0.000 2.514 41 L HA -0.025 4.314 4.340 -0.001 0.000 0.280 41 L C 0.556 177.202 176.870 -0.372 0.000 1.223 41 L CA -0.127 54.246 54.840 -0.778 0.000 0.864 41 L CB -0.136 41.300 42.059 -1.038 0.000 1.118 41 L HN 0.291 nan 8.230 nan 0.000 0.494 42 N N 0.422 118.950 118.700 -0.286 0.000 2.741 42 N HA 0.188 4.927 4.740 -0.001 0.000 0.310 42 N C 0.179 175.809 175.510 0.200 0.000 1.295 42 N CA -0.839 52.180 53.050 -0.053 0.000 0.893 42 N CB 0.156 38.692 38.487 0.082 0.000 1.247 42 N HN 0.519 nan 8.380 nan 0.000 0.596 43 W N -1.044 120.395 121.300 0.232 0.000 2.436 43 W HA -0.029 4.630 4.660 -0.002 0.000 0.261 43 W C 1.151 177.803 176.519 0.221 0.000 1.222 43 W CA 0.007 57.465 57.345 0.187 0.000 1.191 43 W CB -0.072 29.487 29.460 0.165 0.000 1.132 43 W HN 0.330 nan 8.180 nan 0.000 0.596 44 M N -1.437 118.534 119.600 0.620 0.000 2.561 44 M HA -0.038 4.441 4.480 -0.001 0.000 0.238 44 M C 0.867 177.410 176.300 0.405 0.000 1.131 44 M CA 0.649 56.309 55.300 0.600 0.000 1.046 44 M CB -0.774 32.160 32.600 0.558 0.000 1.532 44 M HN 0.285 nan 8.290 nan 0.000 0.497 45 W N 0.589 121.969 121.300 0.133 0.000 3.316 45 W HA 0.150 4.809 4.660 -0.001 0.000 0.327 45 W C 1.476 178.003 176.519 0.015 0.000 1.232 45 W CA 0.162 57.534 57.345 0.044 0.000 1.805 45 W CB 0.226 29.623 29.460 -0.105 0.000 1.090 45 W HN 0.236 nan 8.180 nan 0.000 0.654 46 I N -3.989 116.609 120.570 0.046 0.000 3.427 46 I HA 0.020 4.189 4.170 -0.001 0.000 0.288 46 I C 1.606 177.569 176.117 -0.258 0.000 1.249 46 I CA 0.517 61.739 61.300 -0.130 0.000 1.421 46 I CB -0.635 37.196 38.000 -0.282 0.000 1.086 46 I HN -0.217 nan 8.210 nan 0.000 0.448 47 W N 2.209 123.595 121.300 0.144 0.000 2.465 47 W HA 0.110 4.769 4.660 -0.002 0.000 0.268 47 W C 2.553 179.021 176.519 -0.085 0.000 1.242 47 W CA 0.835 58.221 57.345 0.069 0.000 1.248 47 W CB -0.541 29.000 29.460 0.136 0.000 1.118 47 W HN 0.196 nan 8.180 nan 0.000 0.587 48 G N 0.088 108.913 108.800 0.043 0.000 2.408 48 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.217 48 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.217 48 G C 1.467 176.389 174.900 0.037 0.000 1.150 48 G CA 1.228 46.258 45.100 -0.117 0.000 0.776 48 G HN 0.159 nan 8.290 nan 0.000 0.542 49 V N 0.408 120.376 119.914 0.090 0.000 2.453 49 V HA -0.107 4.012 4.120 -0.001 0.000 0.247 49 V C 2.988 179.149 176.094 0.111 0.000 1.048 49 V CA 1.125 63.504 62.300 0.131 0.000 1.049 49 V CB 0.126 32.042 31.823 0.155 0.000 0.672 49 V HN 0.238 nan 8.190 nan 0.000 0.457 50 V N -0.139 119.822 119.914 0.078 0.000 2.490 50 V HA -0.240 3.879 4.120 -0.001 0.000 0.250 50 V C 2.236 178.397 176.094 0.112 0.000 1.061 50 V CA 1.778 64.139 62.300 0.103 0.000 1.064 50 V CB -0.491 31.436 31.823 0.174 0.000 0.670 50 V HN 0.444 nan 8.190 nan 0.000 0.461 51 L N -0.063 121.212 121.223 0.088 0.000 2.072 51 L HA -0.088 4.251 4.340 -0.001 0.000 0.205 51 L C 2.732 179.570 176.870 -0.054 0.000 1.079 51 L CA 1.424 56.293 54.840 0.048 0.000 0.752 51 L CB -0.757 41.347 42.059 0.075 0.000 0.906 51 L HN 0.333 nan 8.230 nan 0.000 0.436 52 A N -0.055 122.785 122.820 0.033 0.000 1.877 52 A HA -0.283 4.036 4.320 -0.001 0.000 0.216 52 A C 2.190 179.748 177.584 -0.044 0.000 1.186 52 A CA 1.671 53.725 52.037 0.028 0.000 0.620 52 A CB -0.893 18.177 19.000 0.118 0.000 0.822 52 A HN 0.405 nan 8.150 nan 0.000 0.443 53 F N 0.457 120.344 119.950 -0.104 0.000 2.095 53 F HA -0.251 4.275 4.527 -0.001 0.000 0.298 53 F C 2.482 178.134 175.800 -0.247 0.000 1.104 53 F CA 1.706 59.632 58.000 -0.122 0.000 1.232 53 F CB -0.730 38.221 39.000 -0.082 0.000 0.987 53 F HN 0.302 nan 8.300 nan 0.000 0.475 54 C N 0.201 119.279 119.300 -0.370 0.000 2.413 54 C HA -0.175 4.284 4.460 -0.001 0.000 0.276 54 C C 2.703 177.139 174.990 -0.923 0.000 1.248 54 C CA 1.095 59.681 59.018 -0.720 0.000 1.742 54 C CB -1.514 25.650 27.740 -0.959 0.000 2.017 54 C HN 0.655 nan 8.230 nan 0.000 0.481 55 L N 0.837 121.535 121.223 -0.875 0.000 2.012 55 L HA -0.096 4.243 4.340 -0.001 0.000 0.210 55 L C 2.476 179.093 176.870 -0.420 0.000 1.073 55 L CA 1.969 56.446 54.840 -0.605 0.000 0.748 55 L CB -0.824 41.064 42.059 -0.286 0.000 0.891 55 L HN 0.215 nan 8.230 nan 0.000 0.431 56 V N -0.507 119.171 119.914 -0.395 0.000 2.295 56 V HA -0.268 3.851 4.120 -0.001 0.000 0.246 56 V C 2.518 178.380 176.094 -0.386 0.000 1.049 56 V CA 1.699 63.801 62.300 -0.330 0.000 1.024 56 V CB -0.780 30.870 31.823 -0.289 0.000 0.648 56 V HN 0.544 nan 8.190 nan 0.000 0.447 57 L N 0.108 120.973 121.223 -0.597 0.000 2.012 57 L HA -0.210 4.129 4.340 -0.001 0.000 0.210 57 L C 2.512 179.238 176.870 -0.240 0.000 1.073 57 L CA 2.010 56.567 54.840 -0.472 0.000 0.748 57 L CB -0.769 40.929 42.059 -0.601 0.000 0.891 57 L HN 0.257 nan 8.230 nan 0.000 0.431 58 Q N -0.267 119.365 119.800 -0.280 0.000 2.084 58 Q HA -0.137 4.202 4.340 -0.001 0.000 0.202 58 Q C 2.406 178.377 176.000 -0.049 0.000 0.978 58 Q CA 2.120 57.857 55.803 -0.111 0.000 0.844 58 Q CB -0.342 28.263 28.738 -0.222 0.000 0.898 58 Q HN 0.637 nan 8.270 nan 0.000 0.426 59 I N 0.411 120.868 120.570 -0.188 0.000 2.202 59 I HA -0.217 3.952 4.170 -0.001 0.000 0.242 59 I C 2.405 178.432 176.117 -0.151 0.000 1.091 59 I CA 1.173 62.340 61.300 -0.221 0.000 1.368 59 I CB -0.441 37.400 38.000 -0.265 0.000 1.058 59 I HN 0.078 nan 8.210 nan 0.000 0.410 60 V N -0.759 119.087 119.914 -0.113 0.000 2.358 60 V HA -0.220 3.900 4.120 -0.001 0.000 0.246 60 V C 2.504 178.562 176.094 -0.060 0.000 1.047 60 V CA 2.251 64.511 62.300 -0.066 0.000 1.035 60 V CB -1.711 30.083 31.823 -0.047 0.000 0.658 60 V HN 0.579 nan 8.190 nan 0.000 0.452 61 T N -1.576 112.950 114.554 -0.047 0.000 2.867 61 T HA 0.053 4.402 4.350 -0.001 0.000 0.268 61 T C 2.022 176.605 174.700 -0.196 0.000 1.057 61 T CA 1.395 63.468 62.100 -0.045 0.000 1.136 61 T CB -0.973 67.933 68.868 0.063 0.000 0.874 61 T HN 0.702 nan 8.240 nan 0.000 0.466 62 G N 1.673 110.311 108.800 -0.269 0.000 2.404 62 G HA2 -0.031 3.928 3.960 -0.001 0.000 0.215 62 G HA3 -0.031 3.928 3.960 -0.001 0.000 0.215 62 G C 1.514 176.227 174.900 -0.312 0.000 1.174 62 G CA 0.663 45.484 45.100 -0.466 0.000 0.780 62 G HN 0.544 nan 8.290 nan 0.000 0.537 63 I N 0.357 120.791 120.570 -0.227 0.000 2.208 63 I HA -0.196 3.973 4.170 -0.001 0.000 0.245 63 I C 2.789 178.895 176.117 -0.018 0.000 1.097 63 I CA 0.617 61.854 61.300 -0.105 0.000 1.363 63 I CB -0.240 37.766 38.000 0.009 0.000 1.051 63 I HN 0.035 nan 8.210 nan 0.000 0.413 64 V N 0.805 120.706 119.914 -0.022 0.000 2.295 64 V HA -0.271 3.848 4.120 -0.001 0.000 0.246 64 V C 2.359 178.507 176.094 0.090 0.000 1.049 64 V CA 1.732 64.056 62.300 0.040 0.000 1.024 64 V CB -0.393 31.451 31.823 0.035 0.000 0.648 64 V HN 0.354 nan 8.190 nan 0.000 0.447 65 L N 0.061 121.287 121.223 0.005 0.000 2.083 65 L HA -0.151 4.188 4.340 -0.001 0.000 0.209 65 L C 2.607 179.558 176.870 0.135 0.000 1.083 65 L CA 1.545 56.412 54.840 0.045 0.000 0.752 65 L CB -0.697 41.284 42.059 -0.130 0.000 0.899 65 L HN 0.361 nan 8.230 nan 0.000 0.433 66 A N -0.690 122.193 122.820 0.106 0.000 2.125 66 A HA -0.183 4.136 4.320 -0.001 0.000 0.219 66 A C 2.226 179.932 177.584 0.203 0.000 1.156 66 A CA 1.327 53.532 52.037 0.280 0.000 0.671 66 A CB -0.481 18.721 19.000 0.336 0.000 0.794 66 A HN 0.403 nan 8.150 nan 0.000 0.459 67 M N -1.382 118.251 119.600 0.055 0.000 2.492 67 M HA -0.026 4.453 4.480 -0.001 0.000 0.262 67 M C 1.102 177.183 176.300 -0.364 0.000 1.090 67 M CA 0.925 56.127 55.300 -0.164 0.000 1.110 67 M CB -0.086 32.334 32.600 -0.301 0.000 1.407 67 M HN 0.481 nan 8.290 nan 0.000 0.470 68 H N -2.826 116.319 119.070 0.124 0.000 2.893 68 H HA 0.166 4.722 4.556 -0.001 0.000 0.270 68 H C -0.572 174.846 175.328 0.150 0.000 1.095 68 H CA -0.139 55.994 56.048 0.141 0.000 1.186 68 H CB 0.372 30.217 29.762 0.137 0.000 1.562 68 H HN 0.223 nan 8.280 nan 0.000 0.536 69 Y N 2.397 122.744 120.300 0.077 0.000 2.310 69 Y HA 0.290 4.840 4.550 -0.001 0.000 0.326 69 Y C -0.276 175.541 175.900 -0.138 0.000 1.151 69 Y CA -0.372 57.723 58.100 -0.007 0.000 1.195 69 Y CB 1.153 39.611 38.460 -0.002 0.000 1.210 69 Y HN -0.204 nan 8.280 nan 0.000 0.483 70 T N 8.712 122.622 114.554 -1.073 0.000 2.809 70 T HA 0.268 4.618 4.350 -0.001 0.000 0.296 70 T C -2.774 171.233 174.700 -1.155 0.000 1.015 70 T CA -1.516 60.071 62.100 -0.855 0.000 0.954 70 T CB 1.160 69.751 68.868 -0.461 0.000 0.950 70 T HN 0.450 nan 8.240 nan 0.000 0.450 71 P HA 0.138 nan 4.420 nan 0.000 0.231 71 P C -0.702 176.420 177.300 -0.297 0.000 1.811 71 P CA -0.015 62.788 63.100 -0.495 0.000 1.051 71 P CB -0.143 31.319 31.700 -0.396 0.000 1.951 72 H N 1.896 120.702 119.070 -0.440 0.000 2.947 72 H HA 0.089 4.645 4.556 -0.001 0.000 0.354 72 H C 1.133 176.196 175.328 -0.442 0.000 1.085 72 H CA -0.431 55.389 56.048 -0.380 0.000 1.253 72 H CB 2.829 32.418 29.762 -0.289 0.000 1.757 72 H HN -0.076 nan 8.280 nan 0.000 0.523 73 V N 1.312 120.730 119.914 -0.828 0.000 2.453 73 V HA -0.189 3.930 4.120 -0.001 0.000 0.252 73 V C 1.189 177.159 176.094 -0.207 0.000 1.068 73 V CA 2.243 64.104 62.300 -0.732 0.000 1.070 73 V CB -0.134 31.349 31.823 -0.568 0.000 0.664 73 V HN 0.580 nan 8.190 nan 0.000 0.461 74 D N -0.013 120.430 120.400 0.071 0.000 2.323 74 D HA 0.164 4.803 4.640 -0.001 0.000 0.209 74 D C 1.786 178.124 176.300 0.064 0.000 0.973 74 D CA 1.135 55.203 54.000 0.114 0.000 0.874 74 D CB 0.421 41.313 40.800 0.152 0.000 0.930 74 D HN 0.532 nan 8.370 nan 0.000 0.521 75 L N -0.576 120.667 121.223 0.034 0.000 2.840 75 L HA 0.329 4.668 4.340 -0.001 0.000 0.249 75 L C 2.170 178.999 176.870 -0.068 0.000 1.119 75 L CA 0.068 54.883 54.840 -0.040 0.000 0.930 75 L CB 0.155 42.137 42.059 -0.128 0.000 1.295 75 L HN -0.177 nan 8.230 nan 0.000 0.534 76 A N 0.922 123.681 122.820 -0.102 0.000 1.873 76 A HA -0.281 4.038 4.320 -0.001 0.000 0.218 76 A C 2.101 179.787 177.584 0.169 0.000 1.193 76 A CA 1.973 53.958 52.037 -0.086 0.000 0.629 76 A CB -0.808 18.166 19.000 -0.043 0.000 0.826 76 A HN 0.371 nan 8.150 nan 0.000 0.447 77 F N 0.636 120.660 119.950 0.123 0.000 2.146 77 F HA -0.010 4.516 4.527 -0.001 0.000 0.298 77 F C 2.594 178.467 175.800 0.122 0.000 1.096 77 F CA 1.206 59.303 58.000 0.162 0.000 1.275 77 F CB -0.411 38.697 39.000 0.180 0.000 1.008 77 F HN 0.254 nan 8.300 nan 0.000 0.480 78 A N -0.419 122.606 122.820 0.342 0.000 1.908 78 A HA -0.252 4.067 4.320 -0.001 0.000 0.218 78 A C 2.359 180.019 177.584 0.127 0.000 1.181 78 A CA 2.210 54.377 52.037 0.217 0.000 0.627 78 A CB -1.468 17.615 19.000 0.138 0.000 0.818 78 A HN 0.514 nan 8.150 nan 0.000 0.445 79 S N -0.626 115.121 115.700 0.078 0.000 2.402 79 S HA -0.085 4.384 4.470 -0.001 0.000 0.229 79 S C 1.715 176.409 174.600 0.155 0.000 1.021 79 S CA 1.479 59.730 58.200 0.085 0.000 0.974 79 S CB -0.547 62.611 63.200 -0.069 0.000 0.800 79 S HN 0.260 nan 8.310 nan 0.000 0.484 80 V N 1.585 121.558 119.914 0.099 0.000 2.591 80 V HA 0.019 4.138 4.120 -0.001 0.000 0.249 80 V C 2.886 178.965 176.094 -0.025 0.000 1.053 80 V CA 1.512 63.838 62.300 0.042 0.000 1.068 80 V CB -0.587 31.210 31.823 -0.044 0.000 0.689 80 V HN 0.421 nan 8.190 nan 0.000 0.462 81 E N -0.070 120.112 120.200 -0.030 0.000 2.107 81 E HA -0.196 4.153 4.350 -0.001 0.000 0.191 81 E C 2.107 178.740 176.600 0.055 0.000 0.982 81 E CA 1.341 57.742 56.400 0.002 0.000 0.809 81 E CB -0.269 29.462 29.700 0.052 0.000 0.756 81 E HN 0.838 nan 8.360 nan 0.000 0.459 82 H N 0.716 119.791 119.070 0.008 0.000 2.353 82 H HA -0.009 4.546 4.556 -0.001 0.000 0.300 82 H C 2.077 177.400 175.328 -0.009 0.000 1.090 82 H CA 1.729 57.783 56.048 0.010 0.000 1.327 82 H CB -0.299 29.474 29.762 0.018 0.000 1.383 82 H HN 0.058 nan 8.280 nan 0.000 0.508 83 I N -0.138 120.340 120.570 -0.153 0.000 2.163 83 I HA -0.282 3.888 4.170 -0.001 0.000 0.243 83 I C 2.092 178.100 176.117 -0.182 0.000 1.085 83 I CA 1.154 62.314 61.300 -0.233 0.000 1.347 83 I CB -0.258 37.700 38.000 -0.070 0.000 1.044 83 I HN 0.363 nan 8.210 nan 0.000 0.408 84 M N 0.113 119.654 119.600 -0.098 0.000 2.117 84 M HA -0.170 4.309 4.480 -0.001 0.000 0.262 84 M C 2.348 178.651 176.300 0.005 0.000 1.065 84 M CA 1.898 57.172 55.300 -0.043 0.000 1.114 84 M CB -1.092 31.480 32.600 -0.047 0.000 1.361 84 M HN 0.226 nan 8.290 nan 0.000 0.408 85 R N -0.860 119.619 120.500 -0.035 0.000 2.128 85 R HA 0.063 4.402 4.340 -0.001 0.000 0.211 85 R C 1.792 178.066 176.300 -0.043 0.000 1.067 85 R CA 0.702 56.789 56.100 -0.022 0.000 1.010 85 R CB 0.031 30.330 30.300 -0.001 0.000 0.922 85 R HN 0.378 nan 8.270 nan 0.000 0.457 86 N N 0.096 118.717 118.700 -0.133 0.000 2.436 86 N HA 0.034 4.773 4.740 -0.001 0.000 0.178 86 N C 0.272 175.665 175.510 -0.195 0.000 1.026 86 N CA 0.330 53.291 53.050 -0.148 0.000 0.880 86 N CB 0.229 38.629 38.487 -0.145 0.000 1.061 86 N HN -0.120 nan 8.380 nan 0.000 0.434 87 V N 3.710 123.413 119.914 -0.351 0.000 2.585 87 V HA -0.007 4.112 4.120 -0.001 0.000 0.296 87 V C 0.246 176.235 176.094 -0.175 0.000 1.035 87 V CA -0.521 61.573 62.300 -0.344 0.000 1.084 87 V CB 0.131 31.591 31.823 -0.606 0.000 0.953 87 V HN 0.227 nan 8.190 nan 0.000 0.483 88 N N 4.286 122.914 118.700 -0.120 0.000 2.414 88 N HA 0.108 4.847 4.740 -0.001 0.000 0.268 88 N C 1.259 176.717 175.510 -0.087 0.000 1.286 88 N CA 1.122 54.145 53.050 -0.045 0.000 0.896 88 N CB 0.742 39.218 38.487 -0.019 0.000 1.093 88 N HN 1.127 nan 8.380 nan 0.000 0.480 89 G N 1.566 110.325 108.800 -0.068 0.000 2.155 89 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.257 89 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.257 89 G C 1.222 175.839 174.900 -0.472 0.000 0.983 89 G CA 0.661 45.569 45.100 -0.321 0.000 0.676 89 G HN 0.720 nan 8.290 nan 0.000 0.528 90 G N 1.060 109.693 108.800 -0.279 0.000 2.459 90 G HA2 0.026 3.985 3.960 -0.001 0.000 0.217 90 G HA3 0.026 3.985 3.960 -0.001 0.000 0.217 90 G C 1.576 176.308 174.900 -0.281 0.000 1.183 90 G CA 1.616 46.564 45.100 -0.255 0.000 0.776 90 G HN 1.178 nan 8.290 nan 0.000 0.552 91 F N 0.494 120.361 119.950 -0.138 0.000 2.091 91 F HA -0.078 4.448 4.527 -0.002 0.000 0.299 91 F C 2.432 178.159 175.800 -0.121 0.000 1.103 91 F CA 1.816 59.704 58.000 -0.188 0.000 1.228 91 F CB -0.731 38.211 39.000 -0.097 0.000 0.984 91 F HN 0.160 nan 8.300 nan 0.000 0.477 92 M N 0.636 119.528 119.600 -1.179 0.000 2.229 92 M HA 0.017 4.496 4.480 -0.001 0.000 0.264 92 M C 1.880 178.054 176.300 -0.209 0.000 1.063 92 M CA 1.535 56.512 55.300 -0.537 0.000 1.114 92 M CB -0.473 31.719 32.600 -0.680 0.000 1.387 92 M HN 0.314 nan 8.290 nan 0.000 0.420 93 L N -1.078 119.995 121.223 -0.250 0.000 2.109 93 L HA -0.147 4.192 4.340 -0.001 0.000 0.207 93 L C 2.713 179.568 176.870 -0.024 0.000 1.086 93 L CA 0.849 55.630 54.840 -0.098 0.000 0.760 93 L CB -0.762 41.229 42.059 -0.112 0.000 0.910 93 L HN 0.271 nan 8.230 nan 0.000 0.437 94 R N 0.035 120.485 120.500 -0.084 0.000 2.070 94 R HA -0.201 4.138 4.340 -0.001 0.000 0.233 94 R C 2.353 178.703 176.300 0.084 0.000 1.137 94 R CA 1.926 58.000 56.100 -0.044 0.000 0.945 94 R CB -0.693 29.498 30.300 -0.182 0.000 0.845 94 R HN 0.226 nan 8.270 nan 0.000 0.430 95 Y N 1.108 121.453 120.300 0.074 0.000 2.256 95 Y HA -0.138 4.412 4.550 -0.001 0.000 0.288 95 Y C 2.396 178.332 175.900 0.061 0.000 1.155 95 Y CA 0.861 59.009 58.100 0.079 0.000 1.203 95 Y CB -0.605 37.891 38.460 0.060 0.000 0.980 95 Y HN 0.033 nan 8.280 nan 0.000 0.530 96 L N -1.497 119.843 121.223 0.195 0.000 2.093 96 L HA -0.240 4.099 4.340 -0.001 0.000 0.208 96 L C 2.391 179.421 176.870 0.268 0.000 1.085 96 L CA 1.560 56.504 54.840 0.172 0.000 0.755 96 L CB -0.471 41.664 42.059 0.126 0.000 0.904 96 L HN 0.228 nan 8.230 nan 0.000 0.435 97 H N -0.305 118.840 119.070 0.125 0.000 2.326 97 H HA -0.088 4.467 4.556 -0.001 0.000 0.301 97 H C 2.098 177.521 175.328 0.157 0.000 1.081 97 H CA 1.467 57.575 56.048 0.102 0.000 1.334 97 H CB 0.067 29.861 29.762 0.054 0.000 1.385 97 H HN 0.287 nan 8.280 nan 0.000 0.504 98 A N 0.667 123.626 122.820 0.232 0.000 1.835 98 A HA -0.207 4.112 4.320 -0.001 0.000 0.215 98 A C 2.247 179.979 177.584 0.247 0.000 1.199 98 A CA 1.769 53.941 52.037 0.225 0.000 0.615 98 A CB -0.649 18.527 19.000 0.293 0.000 0.838 98 A HN 0.572 nan 8.150 nan 0.000 0.444 99 N N -0.045 118.835 118.700 0.300 0.000 2.443 99 N HA -0.106 4.633 4.740 -0.001 0.000 0.184 99 N C 1.692 177.483 175.510 0.468 0.000 1.037 99 N CA 1.076 54.353 53.050 0.379 0.000 0.896 99 N CB -0.313 38.351 38.487 0.296 0.000 0.959 99 N HN 0.540 nan 8.380 nan 0.000 0.442 100 G N 0.754 109.752 108.800 0.331 0.000 2.422 100 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.218 100 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.218 100 G C 1.687 176.601 174.900 0.023 0.000 1.140 100 G CA 0.813 45.965 45.100 0.087 0.000 0.775 100 G HN 0.365 nan 8.290 nan 0.000 0.545 101 A N 0.909 123.764 122.820 0.059 0.000 1.902 101 A HA 0.013 4.332 4.320 -0.001 0.000 0.217 101 A C 2.705 180.372 177.584 0.139 0.000 1.181 101 A CA 2.232 54.299 52.037 0.050 0.000 0.623 101 A CB -0.652 18.368 19.000 0.033 0.000 0.818 101 A HN 0.297 nan 8.150 nan 0.000 0.443 102 S N -0.490 115.416 115.700 0.343 0.000 2.348 102 S HA -0.157 4.312 4.470 -0.001 0.000 0.221 102 S C 1.898 176.819 174.600 0.536 0.000 1.033 102 S CA 1.496 60.080 58.200 0.641 0.000 1.010 102 S CB -0.505 63.172 63.200 0.795 0.000 0.891 102 S HN 0.526 nan 8.310 nan 0.000 0.442 103 L N 1.093 122.511 121.223 0.324 0.000 2.079 103 L HA -0.070 4.269 4.340 -0.001 0.000 0.210 103 L C 1.924 178.897 176.870 0.171 0.000 1.081 103 L CA 1.717 56.663 54.840 0.176 0.000 0.752 103 L CB -0.837 41.122 42.059 -0.167 0.000 0.896 103 L HN 0.214 nan 8.230 nan 0.000 0.433 104 F N -0.534 119.340 119.950 -0.127 0.000 2.126 104 F HA -0.223 4.303 4.527 -0.002 0.000 0.299 104 F C 2.134 177.672 175.800 -0.436 0.000 1.096 104 F CA 1.429 59.238 58.000 -0.319 0.000 1.255 104 F CB -0.797 37.909 39.000 -0.489 0.000 0.997 104 F HN 0.130 nan 8.300 nan 0.000 0.479 105 F N -0.371 119.541 119.950 -0.064 0.000 2.234 105 F HA -0.039 4.487 4.527 -0.002 0.000 0.296 105 F C 2.448 178.274 175.800 0.044 0.000 1.089 105 F CA 0.815 58.656 58.000 -0.265 0.000 1.343 105 F CB -0.822 37.857 39.000 -0.535 0.000 1.040 105 F HN -0.172 nan 8.300 nan 0.000 0.498 106 I N -0.151 120.751 120.570 0.554 0.000 2.208 106 I HA -0.361 3.808 4.170 -0.001 0.000 0.245 106 I C 2.565 178.765 176.117 0.138 0.000 1.097 106 I CA 1.366 62.951 61.300 0.474 0.000 1.363 106 I CB -0.575 37.627 38.000 0.336 0.000 1.051 106 I HN 0.116 nan 8.210 nan 0.000 0.413 107 A N 0.323 123.200 122.820 0.096 0.000 1.930 107 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 107 A C 2.349 179.945 177.584 0.019 0.000 1.175 107 A CA 1.794 53.858 52.037 0.046 0.000 0.627 107 A CB -0.918 18.239 19.000 0.261 0.000 0.815 107 A HN 0.335 nan 8.150 nan 0.000 0.443 108 V N -3.373 116.506 119.914 -0.059 0.000 2.427 108 V HA -0.235 3.884 4.120 -0.001 0.000 0.248 108 V C 2.307 178.402 176.094 0.002 0.000 1.051 108 V CA 1.635 63.880 62.300 -0.092 0.000 1.048 108 V CB -1.577 30.052 31.823 -0.323 0.000 0.666 108 V HN 0.489 nan 8.190 nan 0.000 0.456 109 Y N 0.772 121.165 120.300 0.156 0.000 2.242 109 Y HA 0.029 4.578 4.550 -0.002 0.000 0.291 109 Y C 2.364 178.352 175.900 0.145 0.000 1.137 109 Y CA 0.942 59.140 58.100 0.164 0.000 1.181 109 Y CB -0.811 37.818 38.460 0.281 0.000 0.989 109 Y HN 0.182 nan 8.280 nan 0.000 0.527 110 L N -1.368 119.901 121.223 0.077 0.000 2.093 110 L HA -0.221 4.118 4.340 -0.001 0.000 0.208 110 L C 2.417 179.300 176.870 0.021 0.000 1.085 110 L CA 1.579 56.325 54.840 -0.157 0.000 0.755 110 L CB -0.575 40.909 42.059 -0.959 0.000 0.904 110 L HN 0.228 nan 8.230 nan 0.000 0.435 111 H N 0.343 119.397 119.070 -0.028 0.000 2.321 111 H HA -0.140 4.415 4.556 -0.002 0.000 0.300 111 H C 2.157 177.550 175.328 0.109 0.000 1.087 111 H CA 1.838 57.946 56.048 0.100 0.000 1.319 111 H CB -0.015 29.817 29.762 0.117 0.000 1.379 111 H HN 0.160 nan 8.280 nan 0.000 0.501 112 I N -0.762 119.872 120.570 0.106 0.000 2.179 112 I HA -0.271 3.899 4.170 -0.001 0.000 0.242 112 I C 1.750 177.911 176.117 0.074 0.000 1.088 112 I CA 1.222 62.534 61.300 0.020 0.000 1.357 112 I CB -0.311 37.633 38.000 -0.093 0.000 1.051 112 I HN 0.191 nan 8.210 nan 0.000 0.409 113 F N 0.501 120.524 119.950 0.123 0.000 2.234 113 F HA -0.154 4.372 4.527 -0.001 0.000 0.299 113 F C 2.609 178.564 175.800 0.258 0.000 1.087 113 F CA 1.101 59.207 58.000 0.178 0.000 1.340 113 F CB -0.390 38.645 39.000 0.059 0.000 1.031 113 F HN -0.036 nan 8.300 nan 0.000 0.500 114 R N 1.084 121.779 120.500 0.326 0.000 2.081 114 R HA -0.117 4.223 4.340 -0.001 0.000 0.235 114 R C 2.334 178.795 176.300 0.268 0.000 1.131 114 R CA 1.736 58.002 56.100 0.277 0.000 0.960 114 R CB -1.395 28.980 30.300 0.124 0.000 0.856 114 R HN 0.363 nan 8.270 nan 0.000 0.436 115 G N 1.094 110.003 108.800 0.182 0.000 2.408 115 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.217 115 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.217 115 G C 1.759 176.850 174.900 0.318 0.000 1.150 115 G CA 0.525 45.765 45.100 0.233 0.000 0.776 115 G HN 0.311 nan 8.290 nan 0.000 0.542 116 L N -1.125 120.304 121.223 0.344 0.000 2.131 116 L HA -0.040 4.299 4.340 -0.001 0.000 0.210 116 L C 2.546 179.689 176.870 0.454 0.000 1.092 116 L CA 0.982 56.064 54.840 0.403 0.000 0.759 116 L CB -0.316 41.917 42.059 0.291 0.000 0.903 116 L HN 0.317 nan 8.230 nan 0.000 0.435 117 Y N -0.742 119.595 120.300 0.063 0.000 2.243 117 Y HA -0.192 4.357 4.550 -0.002 0.000 0.293 117 Y C 1.708 177.309 175.900 -0.499 0.000 1.124 117 Y CA 1.334 59.134 58.100 -0.500 0.000 1.159 117 Y CB 0.032 37.847 38.460 -1.075 0.000 1.008 117 Y HN 0.052 nan 8.280 nan 0.000 0.527 118 Y N -0.039 120.205 120.300 -0.094 0.000 2.468 118 Y HA 0.312 4.861 4.550 -0.002 0.000 0.268 118 Y C 1.621 177.349 175.900 -0.286 0.000 1.177 118 Y CA 0.042 58.045 58.100 -0.161 0.000 1.265 118 Y CB 0.154 38.676 38.460 0.102 0.000 1.103 118 Y HN 0.185 nan 8.280 nan 0.000 0.522 119 G N 0.030 108.643 108.800 -0.312 0.000 2.305 119 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.287 119 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.287 119 G C 1.012 175.517 174.900 -0.657 0.000 1.036 119 G CA 0.700 45.326 45.100 -0.790 0.000 0.887 119 G HN 0.382 nan 8.290 nan 0.000 0.505 120 S N -0.950 114.567 115.700 -0.305 0.000 2.547 120 S HA -0.010 4.459 4.470 -0.001 0.000 0.235 120 S C 1.698 176.225 174.600 -0.122 0.000 0.980 120 S CA 1.459 59.583 58.200 -0.127 0.000 0.941 120 S CB -0.291 62.907 63.200 -0.003 0.000 0.763 120 S HN 0.980 nan 8.310 nan 0.000 0.532 121 Y N 0.875 121.039 120.300 -0.227 0.000 2.478 121 Y HA 0.441 4.990 4.550 -0.001 0.000 0.261 121 Y C 0.226 175.913 175.900 -0.354 0.000 1.127 121 Y CA -0.909 56.970 58.100 -0.369 0.000 1.288 121 Y CB -0.377 37.366 38.460 -1.196 0.000 1.084 121 Y HN -0.064 nan 8.280 nan 0.000 0.530 122 K N 2.007 121.974 120.400 -0.722 0.000 2.270 122 K HA 0.489 4.808 4.320 -0.001 0.000 0.276 122 K C 0.419 176.848 176.600 -0.284 0.000 1.023 122 K CA -0.101 55.887 56.287 -0.499 0.000 0.955 122 K CB 0.959 33.122 32.500 -0.561 0.000 0.975 122 K HN 0.289 nan 8.250 nan 0.000 0.471 123 A N 4.093 126.774 122.820 -0.232 0.000 2.632 123 A HA -0.054 4.265 4.320 -0.001 0.000 0.231 123 A C -1.307 176.208 177.584 -0.115 0.000 1.027 123 A CA -0.355 51.595 52.037 -0.145 0.000 0.759 123 A CB -0.389 18.538 19.000 -0.122 0.000 0.939 123 A HN 0.632 nan 8.150 nan 0.000 0.505 124 P HA 0.118 nan 4.420 nan 0.000 0.254 124 P C 0.186 177.474 177.300 -0.021 0.000 1.494 124 P CA 0.106 63.181 63.100 -0.043 0.000 0.961 124 P CB 0.142 31.827 31.700 -0.025 0.000 1.493 125 R N 0.284 120.765 120.500 -0.031 0.000 2.449 125 R HA 0.123 4.462 4.340 -0.001 0.000 0.262 125 R C 0.856 177.210 176.300 0.090 0.000 1.006 125 R CA 0.030 56.149 56.100 0.031 0.000 1.104 125 R CB -0.056 30.262 30.300 0.030 0.000 1.206 125 R HN 0.180 nan 8.270 nan 0.000 0.538 126 E N 0.552 120.778 120.200 0.044 0.000 2.110 126 E HA -0.141 4.208 4.350 -0.001 0.000 0.193 126 E C 1.819 178.574 176.600 0.259 0.000 0.988 126 E CA 1.104 57.562 56.400 0.096 0.000 0.804 126 E CB -0.029 29.661 29.700 -0.016 0.000 0.745 126 E HN 0.041 nan 8.360 nan 0.000 0.458 127 V N 0.910 120.940 119.914 0.194 0.000 2.358 127 V HA -0.267 3.852 4.120 -0.001 0.000 0.246 127 V C 2.140 178.368 176.094 0.223 0.000 1.047 127 V CA 2.166 64.578 62.300 0.187 0.000 1.035 127 V CB -0.931 30.947 31.823 0.090 0.000 0.658 127 V HN 0.344 nan 8.190 nan 0.000 0.452 128 T N -0.677 114.012 114.554 0.226 0.000 2.665 128 T HA -0.286 4.063 4.350 -0.001 0.000 0.268 128 T C 1.573 176.506 174.700 0.389 0.000 1.035 128 T CA 1.979 64.252 62.100 0.289 0.000 1.151 128 T CB -0.410 68.595 68.868 0.229 0.000 0.862 128 T HN 0.706 nan 8.240 nan 0.000 0.438 129 W N 1.497 122.911 121.300 0.190 0.000 2.358 129 W HA -0.095 4.564 4.660 -0.001 0.000 0.303 129 W C 1.875 178.498 176.519 0.173 0.000 1.208 129 W CA 0.913 58.365 57.345 0.178 0.000 1.274 129 W CB -0.474 29.075 29.460 0.147 0.000 1.138 129 W HN 0.253 nan 8.180 nan 0.000 0.515 130 I N 0.236 120.967 120.570 0.269 0.000 2.252 130 I HA -0.311 3.859 4.170 -0.001 0.000 0.245 130 I C 2.359 178.511 176.117 0.058 0.000 1.102 130 I CA 1.125 62.525 61.300 0.168 0.000 1.385 130 I CB -0.882 37.280 38.000 0.269 0.000 1.064 130 I HN -0.278 nan 8.210 nan 0.000 0.414 131 V N 0.923 120.904 119.914 0.111 0.000 2.343 131 V HA -0.239 3.880 4.120 -0.001 0.000 0.247 131 V C 2.594 178.661 176.094 -0.045 0.000 1.051 131 V CA 2.191 64.541 62.300 0.083 0.000 1.036 131 V CB -1.495 30.441 31.823 0.188 0.000 0.654 131 V HN 0.585 nan 8.190 nan 0.000 0.451 132 G N -0.599 108.138 108.800 -0.104 0.000 2.440 132 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.218 132 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.218 132 G C 1.530 176.262 174.900 -0.279 0.000 1.154 132 G CA 1.056 45.963 45.100 -0.322 0.000 0.767 132 G HN 0.310 nan 8.290 nan 0.000 0.552 133 M N 0.180 119.599 119.600 -0.302 0.000 2.159 133 M HA 0.107 4.586 4.480 -0.001 0.000 0.263 133 M C 2.616 178.894 176.300 -0.036 0.000 1.063 133 M CA 0.845 56.033 55.300 -0.187 0.000 1.110 133 M CB -1.060 31.441 32.600 -0.165 0.000 1.374 133 M HN 0.210 nan 8.290 nan 0.000 0.411 134 L N -0.750 120.449 121.223 -0.040 0.000 2.056 134 L HA -0.201 4.138 4.340 -0.001 0.000 0.207 134 L C 2.350 179.200 176.870 -0.033 0.000 1.078 134 L CA 0.952 55.785 54.840 -0.012 0.000 0.749 134 L CB -0.541 41.521 42.059 0.005 0.000 0.901 134 L HN 0.207 nan 8.230 nan 0.000 0.433 135 I N -1.357 119.172 120.570 -0.069 0.000 2.226 135 I HA -0.355 3.814 4.170 -0.001 0.000 0.245 135 I C 2.559 178.619 176.117 -0.094 0.000 1.100 135 I CA 1.415 62.656 61.300 -0.097 0.000 1.374 135 I CB -0.390 37.514 38.000 -0.161 0.000 1.057 135 I HN 0.195 nan 8.210 nan 0.000 0.413 136 Y N 1.514 121.693 120.300 -0.201 0.000 2.165 136 Y HA -0.231 4.318 4.550 -0.001 0.000 0.286 136 Y C 2.280 178.121 175.900 -0.099 0.000 1.155 136 Y CA 1.525 59.518 58.100 -0.179 0.000 1.164 136 Y CB -0.368 37.999 38.460 -0.155 0.000 0.978 136 Y HN 0.030 nan 8.280 nan 0.000 0.513 137 L N -0.741 120.401 121.223 -0.135 0.000 2.046 137 L HA -0.218 4.122 4.340 -0.001 0.000 0.208 137 L C 2.735 179.527 176.870 -0.131 0.000 1.077 137 L CA 1.177 55.915 54.840 -0.169 0.000 0.747 137 L CB -0.918 41.120 42.059 -0.035 0.000 0.896 137 L HN 0.314 nan 8.230 nan 0.000 0.432 138 A N -0.334 122.430 122.820 -0.093 0.000 1.902 138 A HA -0.245 4.074 4.320 -0.001 0.000 0.217 138 A C 2.291 179.819 177.584 -0.094 0.000 1.181 138 A CA 1.701 53.698 52.037 -0.066 0.000 0.623 138 A CB -0.472 18.495 19.000 -0.054 0.000 0.818 138 A HN 0.323 nan 8.150 nan 0.000 0.443 139 M N -1.203 118.285 119.600 -0.188 0.000 2.080 139 M HA -0.208 4.271 4.480 -0.001 0.000 0.260 139 M C 2.448 178.729 176.300 -0.031 0.000 1.068 139 M CA 1.913 57.051 55.300 -0.269 0.000 1.109 139 M CB -0.443 31.796 32.600 -0.603 0.000 1.342 139 M HN 0.448 nan 8.290 nan 0.000 0.405 140 M N -0.599 118.985 119.600 -0.027 0.000 2.086 140 M HA -0.160 4.319 4.480 -0.001 0.000 0.261 140 M C 2.459 178.893 176.300 0.224 0.000 1.067 140 M CA 1.785 57.175 55.300 0.150 0.000 1.116 140 M CB -0.592 31.930 32.600 -0.129 0.000 1.348 140 M HN 0.374 nan 8.290 nan 0.000 0.407 141 A N -0.118 122.766 122.820 0.107 0.000 1.902 141 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 141 A C 2.175 179.864 177.584 0.176 0.000 1.181 141 A CA 2.166 54.311 52.037 0.179 0.000 0.623 141 A CB -1.103 17.957 19.000 0.099 0.000 0.818 141 A HN 0.457 nan 8.150 nan 0.000 0.443 142 T N 0.383 115.005 114.554 0.114 0.000 2.674 142 T HA -0.058 4.291 4.350 -0.001 0.000 0.265 142 T C 2.238 177.074 174.700 0.227 0.000 1.039 142 T CA 1.778 63.964 62.100 0.144 0.000 1.150 142 T CB -0.508 68.385 68.868 0.043 0.000 0.864 142 T HN 0.599 nan 8.240 nan 0.000 0.427 143 A N 1.078 124.021 122.820 0.204 0.000 1.972 143 A HA -0.018 4.301 4.320 -0.001 0.000 0.219 143 A C 2.002 179.722 177.584 0.225 0.000 1.169 143 A CA 1.387 53.538 52.037 0.190 0.000 0.635 143 A CB -0.867 18.213 19.000 0.133 0.000 0.810 143 A HN 0.531 nan 8.150 nan 0.000 0.446 144 F N 0.389 120.468 119.950 0.215 0.000 2.084 144 F HA -0.117 4.409 4.527 -0.002 0.000 0.296 144 F C 2.137 177.986 175.800 0.082 0.000 1.111 144 F CA 1.926 60.066 58.000 0.232 0.000 1.224 144 F CB -0.547 38.558 39.000 0.174 0.000 0.991 144 F HN 0.153 nan 8.300 nan 0.000 0.471 145 M N 0.459 119.631 119.600 -0.712 0.000 2.159 145 M HA -0.083 4.396 4.480 -0.001 0.000 0.263 145 M C 2.485 178.469 176.300 -0.527 0.000 1.063 145 M CA 1.630 56.421 55.300 -0.848 0.000 1.110 145 M CB -1.332 30.908 32.600 -0.600 0.000 1.374 145 M HN 0.391 nan 8.290 nan 0.000 0.411 146 G N -0.662 107.743 108.800 -0.658 0.000 2.446 146 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.217 146 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.217 146 G C 1.305 176.046 174.900 -0.265 0.000 1.168 146 G CA 0.642 45.190 45.100 -0.921 0.000 0.771 146 G HN 0.391 nan 8.290 nan 0.000 0.551 147 Y N 1.141 121.323 120.300 -0.197 0.000 2.315 147 Y HA -0.094 4.456 4.550 -0.001 0.000 0.288 147 Y C 2.776 178.668 175.900 -0.012 0.000 1.154 147 Y CA 0.940 59.007 58.100 -0.055 0.000 1.229 147 Y CB -0.010 38.466 38.460 0.027 0.000 0.980 147 Y HN 0.065 nan 8.280 nan 0.000 0.540 148 V N -0.353 119.534 119.914 -0.044 0.000 2.719 148 V HA -0.261 3.858 4.120 -0.001 0.000 0.252 148 V C 2.342 178.551 176.094 0.192 0.000 1.065 148 V CA 1.272 63.618 62.300 0.076 0.000 1.086 148 V CB -0.617 31.328 31.823 0.203 0.000 0.700 148 V HN 0.362 nan 8.190 nan 0.000 0.467 149 L N 0.247 121.513 121.223 0.072 0.000 2.013 149 L HA -0.174 4.165 4.340 -0.001 0.000 0.212 149 L C 0.024 177.041 176.870 0.245 0.000 1.073 149 L CA 1.903 56.812 54.840 0.115 0.000 0.753 149 L CB -2.114 39.820 42.059 -0.208 0.000 0.890 149 L HN 0.364 nan 8.230 nan 0.000 0.432 150 P HA -0.233 nan 4.420 nan 0.000 0.221 150 P C 0.294 177.847 177.300 0.421 0.000 1.145 150 P CA 0.982 64.181 63.100 0.165 0.000 0.795 150 P CB -0.078 31.593 31.700 -0.048 0.000 0.775 151 W N -0.855 120.517 121.300 0.121 0.000 5.361 151 W HA -0.162 4.497 4.660 -0.001 0.000 0.385 151 W C 0.235 176.883 176.519 0.215 0.000 1.458 151 W CA -0.013 57.425 57.345 0.155 0.000 0.922 151 W CB -1.379 28.177 29.460 0.162 0.000 2.606 151 W HN -0.051 nan 8.180 nan 0.000 1.450 152 G N 0.393 109.312 108.800 0.199 0.000 2.532 152 G HA2 0.200 4.159 3.960 -0.001 0.000 0.291 152 G HA3 0.200 4.159 3.960 -0.001 0.000 0.291 152 G C 0.572 175.435 174.900 -0.061 0.000 1.349 152 G CA 0.086 45.282 45.100 0.160 0.000 1.038 152 G HN 0.181 nan 8.290 nan 0.000 0.518 153 Q N -0.951 118.845 119.800 -0.005 0.000 2.046 153 Q HA -0.079 4.260 4.340 -0.001 0.000 0.200 153 Q C 2.786 178.852 176.000 0.110 0.000 0.975 153 Q CA 1.111 56.949 55.803 0.058 0.000 0.836 153 Q CB -0.286 28.521 28.738 0.115 0.000 0.896 153 Q HN 0.439 nan 8.270 nan 0.000 0.428 154 M N 0.212 119.830 119.600 0.029 0.000 2.159 154 M HA -0.104 4.375 4.480 -0.001 0.000 0.263 154 M C 2.192 178.538 176.300 0.075 0.000 1.063 154 M CA 1.129 56.471 55.300 0.069 0.000 1.110 154 M CB -1.131 31.528 32.600 0.099 0.000 1.374 154 M HN 0.023 nan 8.290 nan 0.000 0.411 155 S N 0.551 116.181 115.700 -0.116 0.000 2.353 155 S HA -0.149 4.320 4.470 -0.001 0.000 0.222 155 S C 1.745 176.262 174.600 -0.139 0.000 1.035 155 S CA 1.304 59.422 58.200 -0.136 0.000 1.025 155 S CB -0.517 62.594 63.200 -0.148 0.000 0.902 155 S HN 0.420 nan 8.310 nan 0.000 0.440 156 F N 0.690 120.327 119.950 -0.521 0.000 2.075 156 F HA -0.079 4.447 4.527 -0.001 0.000 0.297 156 F C 1.854 177.288 175.800 -0.611 0.000 1.113 156 F CA 1.331 58.831 58.000 -0.834 0.000 1.218 156 F CB -0.470 37.808 39.000 -1.202 0.000 0.984 156 F HN 0.239 nan 8.300 nan 0.000 0.472 157 W N 0.113 121.402 121.300 -0.020 0.000 2.436 157 W HA 0.042 4.701 4.660 -0.002 0.000 0.284 157 W C 2.636 179.138 176.519 -0.028 0.000 1.225 157 W CA 1.002 58.324 57.345 -0.038 0.000 1.271 157 W CB -1.111 28.371 29.460 0.038 0.000 1.114 157 W HN 0.108 nan 8.180 nan 0.000 0.559 158 G N 0.263 109.188 108.800 0.208 0.000 2.432 158 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.219 158 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.219 158 G C 1.636 176.702 174.900 0.277 0.000 1.135 158 G CA 1.166 46.411 45.100 0.241 0.000 0.767 158 G HN 0.290 nan 8.290 nan 0.000 0.550 159 A N 0.184 123.141 122.820 0.229 0.000 1.929 159 A HA 0.058 4.377 4.320 -0.001 0.000 0.216 159 A C 2.505 180.148 177.584 0.100 0.000 1.176 159 A CA 2.241 54.483 52.037 0.342 0.000 0.628 159 A CB -0.790 18.307 19.000 0.162 0.000 0.816 159 A HN 0.264 nan 8.150 nan 0.000 0.444 160 T N -0.291 114.173 114.554 -0.150 0.000 2.684 160 T HA -0.133 4.216 4.350 -0.001 0.000 0.267 160 T C 1.893 176.626 174.700 0.056 0.000 1.036 160 T CA 1.742 63.767 62.100 -0.126 0.000 1.148 160 T CB -0.397 68.380 68.868 -0.152 0.000 0.863 160 T HN 0.137 nan 8.240 nan 0.000 0.436 161 V N 0.827 120.803 119.914 0.103 0.000 2.307 161 V HA -0.099 4.020 4.120 -0.001 0.000 0.245 161 V C 2.336 178.457 176.094 0.046 0.000 1.045 161 V CA 1.419 63.775 62.300 0.093 0.000 1.024 161 V CB -0.476 31.406 31.823 0.099 0.000 0.651 161 V HN 0.401 nan 8.190 nan 0.000 0.449 162 I N 0.724 121.288 120.570 -0.010 0.000 2.394 162 I HA -0.196 3.973 4.170 -0.001 0.000 0.251 162 I C 2.575 178.761 176.117 0.114 0.000 1.136 162 I CA 1.943 63.161 61.300 -0.137 0.000 1.425 162 I CB -0.467 37.113 38.000 -0.699 0.000 1.079 162 I HN 0.488 nan 8.210 nan 0.000 0.425 163 T N -2.318 112.360 114.554 0.207 0.000 2.995 163 T HA 0.005 4.354 4.350 -0.001 0.000 0.269 163 T C 2.034 176.905 174.700 0.285 0.000 1.091 163 T CA 0.765 63.051 62.100 0.311 0.000 1.128 163 T CB -0.886 68.117 68.868 0.225 0.000 0.891 163 T HN 0.387 nan 8.240 nan 0.000 0.492 164 G N 1.723 110.625 108.800 0.171 0.000 2.422 164 G HA2 -0.015 3.945 3.960 -0.001 0.000 0.218 164 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.218 164 G C 1.452 176.420 174.900 0.113 0.000 1.140 164 G CA 0.458 45.635 45.100 0.129 0.000 0.775 164 G HN 0.508 nan 8.290 nan 0.000 0.545 165 L N -0.589 120.676 121.223 0.071 0.000 2.043 165 L HA -0.116 4.223 4.340 -0.001 0.000 0.212 165 L C 2.616 179.386 176.870 -0.166 0.000 1.075 165 L CA 1.129 55.929 54.840 -0.067 0.000 0.752 165 L CB -0.506 41.436 42.059 -0.196 0.000 0.891 165 L HN 0.167 nan 8.230 nan 0.000 0.432 166 F N -0.268 119.726 119.950 0.074 0.000 2.407 166 F HA -0.030 4.496 4.527 -0.001 0.000 0.299 166 F C 2.428 178.246 175.800 0.031 0.000 1.097 166 F CA 0.952 58.980 58.000 0.047 0.000 1.422 166 F CB -0.980 38.054 39.000 0.058 0.000 1.067 166 F HN 0.005 nan 8.300 nan 0.000 0.539 167 G N -0.465 108.438 108.800 0.172 0.000 2.598 167 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.215 167 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.215 167 G C 1.725 176.658 174.900 0.055 0.000 1.131 167 G CA 0.639 45.801 45.100 0.104 0.000 0.785 167 G HN 0.412 nan 8.290 nan 0.000 0.539 168 A N 0.017 122.858 122.820 0.035 0.000 2.169 168 A HA 0.412 4.731 4.320 -0.001 0.000 0.212 168 A C 0.999 178.454 177.584 -0.215 0.000 1.153 168 A CA -0.279 51.758 52.037 0.001 0.000 0.756 168 A CB -0.065 19.012 19.000 0.127 0.000 0.813 168 A HN 0.314 nan 8.150 nan 0.000 0.471 169 I N 1.702 122.156 120.570 -0.193 0.000 2.598 169 I HA 0.106 4.275 4.170 -0.001 0.000 0.284 169 I C -2.258 173.625 176.117 -0.390 0.000 1.140 169 I CA -1.744 59.327 61.300 -0.381 0.000 1.420 169 I CB 0.867 38.792 38.000 -0.125 0.000 1.387 169 I HN 0.049 nan 8.210 nan 0.000 0.553 170 P HA 0.064 nan 4.420 nan 0.000 0.268 170 P C 0.826 178.021 177.300 -0.176 0.000 1.204 170 P CA 0.702 63.597 63.100 -0.341 0.000 0.768 170 P CB 0.839 32.322 31.700 -0.362 0.000 0.842 171 G N 3.658 112.393 108.800 -0.108 0.000 5.452 171 G HA2 -0.390 3.569 3.960 -0.001 0.000 0.310 171 G HA3 -0.390 3.569 3.960 -0.001 0.000 0.310 171 G C 1.036 175.913 174.900 -0.037 0.000 1.392 171 G CA 0.517 45.579 45.100 -0.065 0.000 0.942 171 G HN 0.608 nan 8.290 nan 0.000 0.776 172 I N 0.501 121.045 120.570 -0.045 0.000 2.761 172 I HA 0.346 4.515 4.170 -0.001 0.000 0.261 172 I C 2.553 178.677 176.117 0.011 0.000 1.198 172 I CA 1.509 62.796 61.300 -0.022 0.000 1.482 172 I CB -0.962 37.013 38.000 -0.042 0.000 1.100 172 I HN 0.529 nan 8.210 nan 0.000 0.445 173 G N 1.866 110.666 108.800 0.001 0.000 2.649 173 G HA2 -0.403 3.556 3.960 -0.001 0.000 0.220 173 G HA3 -0.403 3.556 3.960 -0.001 0.000 0.220 173 G C 1.695 176.649 174.900 0.090 0.000 1.189 173 G CA 1.648 46.772 45.100 0.040 0.000 0.777 173 G HN 0.607 nan 8.290 nan 0.000 0.602 174 H N 0.593 119.678 119.070 0.025 0.000 2.387 174 H HA -0.059 4.496 4.556 -0.001 0.000 0.299 174 H C 2.778 178.144 175.328 0.063 0.000 1.099 174 H CA 1.720 57.795 56.048 0.046 0.000 1.315 174 H CB -0.071 29.707 29.762 0.027 0.000 1.380 174 H HN 0.352 nan 8.280 nan 0.000 0.513 175 S N 0.243 116.018 115.700 0.124 0.000 2.355 175 S HA -0.071 4.399 4.470 -0.001 0.000 0.222 175 S C 2.416 177.062 174.600 0.076 0.000 1.031 175 S CA 0.993 59.245 58.200 0.087 0.000 0.993 175 S CB -0.097 63.133 63.200 0.051 0.000 0.859 175 S HN 0.352 nan 8.310 nan 0.000 0.453 176 I N 1.503 122.113 120.570 0.067 0.000 2.286 176 I HA -0.255 3.914 4.170 -0.001 0.000 0.248 176 I C 2.764 179.001 176.117 0.200 0.000 1.115 176 I CA 1.346 62.720 61.300 0.123 0.000 1.392 176 I CB -0.379 37.688 38.000 0.111 0.000 1.065 176 I HN 0.393 nan 8.210 nan 0.000 0.418 177 Q N 0.597 120.465 119.800 0.113 0.000 2.079 177 Q HA -0.183 4.156 4.340 -0.001 0.000 0.200 177 Q C 2.082 178.094 176.000 0.020 0.000 0.974 177 Q CA 2.119 57.965 55.803 0.072 0.000 0.840 177 Q CB 0.011 28.751 28.738 0.002 0.000 0.898 177 Q HN 0.383 nan 8.270 nan 0.000 0.430 178 T N -0.092 114.442 114.554 -0.034 0.000 2.821 178 T HA -0.171 4.178 4.350 -0.001 0.000 0.267 178 T C 0.838 175.594 174.700 0.093 0.000 1.046 178 T CA 1.227 63.319 62.100 -0.013 0.000 1.139 178 T CB -0.418 68.441 68.868 -0.015 0.000 0.871 178 T HN 0.549 nan 8.240 nan 0.000 0.454 179 W N 1.683 122.954 121.300 -0.048 0.000 2.358 179 W HA 0.010 4.669 4.660 -0.002 0.000 0.303 179 W C 1.659 178.159 176.519 -0.031 0.000 1.208 179 W CA 0.768 58.093 57.345 -0.033 0.000 1.274 179 W CB -0.532 28.910 29.460 -0.032 0.000 1.138 179 W HN 0.152 nan 8.180 nan 0.000 0.515 180 L N 0.115 121.343 121.223 0.008 0.000 2.141 180 L HA -0.195 4.144 4.340 -0.001 0.000 0.209 180 L C 2.335 179.114 176.870 -0.153 0.000 1.094 180 L CA 1.036 55.772 54.840 -0.173 0.000 0.763 180 L CB -0.729 41.321 42.059 -0.016 0.000 0.908 180 L HN 0.066 nan 8.230 nan 0.000 0.437 181 L N -0.893 120.272 121.223 -0.098 0.000 2.270 181 L HA 0.109 4.448 4.340 -0.001 0.000 0.210 181 L C 1.607 178.390 176.870 -0.144 0.000 1.104 181 L CA 0.662 55.426 54.840 -0.126 0.000 0.804 181 L CB -0.462 41.553 42.059 -0.074 0.000 0.937 181 L HN 0.454 nan 8.230 nan 0.000 0.450 182 G N -0.026 108.700 108.800 -0.124 0.000 2.153 182 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.252 182 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.252 182 G C 0.410 175.277 174.900 -0.055 0.000 0.994 182 G CA 0.152 45.189 45.100 -0.105 0.000 0.698 182 G HN 0.744 nan 8.290 nan 0.000 0.521 183 G N -1.671 107.107 108.800 -0.036 0.000 2.321 183 G HA2 0.689 4.649 3.960 -0.001 0.000 0.296 183 G HA3 0.689 4.649 3.960 -0.001 0.000 0.296 183 G C -1.712 173.187 174.900 -0.002 0.000 1.287 183 G CA 0.399 45.493 45.100 -0.011 0.000 0.846 183 G HN 0.338 nan 8.290 nan 0.000 0.508 184 P HA 0.299 nan 4.420 nan 0.000 0.230 184 P C 0.532 177.848 177.300 0.028 0.000 1.158 184 P CA 1.662 64.783 63.100 0.035 0.000 0.769 184 P CB 0.545 32.277 31.700 0.054 0.000 0.807 185 A N -1.098 121.731 122.820 0.015 0.000 2.588 185 A HA 0.471 4.790 4.320 -0.001 0.000 0.290 185 A C -1.086 176.483 177.584 -0.025 0.000 1.136 185 A CA -0.583 51.460 52.037 0.010 0.000 0.681 185 A CB 1.046 20.084 19.000 0.063 0.000 1.282 185 A HN -0.194 nan 8.150 nan 0.000 0.421 186 V N 2.242 122.098 119.914 -0.096 0.000 2.485 186 V HA 0.348 4.467 4.120 -0.001 0.000 0.287 186 V C -0.021 176.148 176.094 0.124 0.000 1.022 186 V CA 0.878 63.090 62.300 -0.146 0.000 1.067 186 V CB 0.420 31.893 31.823 -0.584 0.000 0.967 186 V HN 0.902 nan 8.190 nan 0.000 0.479 187 D N 3.046 123.520 120.400 0.123 0.000 3.009 187 D HA 0.185 4.824 4.640 -0.001 0.000 0.318 187 D C 0.920 177.198 176.300 -0.038 0.000 1.273 187 D CA -0.651 53.444 54.000 0.159 0.000 1.001 187 D CB 1.283 42.112 40.800 0.049 0.000 1.411 187 D HN 0.270 nan 8.370 nan 0.000 0.577 188 N N -0.159 118.433 118.700 -0.181 0.000 2.069 188 N HA -0.138 4.601 4.740 -0.001 0.000 0.191 188 N C 1.537 176.874 175.510 -0.288 0.000 1.031 188 N CA 2.378 55.203 53.050 -0.375 0.000 0.852 188 N CB -0.215 38.008 38.487 -0.440 0.000 1.018 188 N HN 0.354 nan 8.380 nan 0.000 0.423 189 A N -0.892 121.811 122.820 -0.195 0.000 1.986 189 A HA -0.170 4.149 4.320 -0.001 0.000 0.220 189 A C 2.219 179.666 177.584 -0.227 0.000 1.171 189 A CA 2.210 54.145 52.037 -0.171 0.000 0.640 189 A CB -1.136 17.787 19.000 -0.128 0.000 0.811 189 A HN 0.470 nan 8.150 nan 0.000 0.451 190 T N -0.189 114.196 114.554 -0.281 0.000 2.770 190 T HA -0.079 4.271 4.350 -0.001 0.000 0.263 190 T C 1.829 176.167 174.700 -0.603 0.000 1.039 190 T CA 1.282 63.089 62.100 -0.489 0.000 1.142 190 T CB -0.371 68.222 68.868 -0.459 0.000 0.868 190 T HN 0.320 nan 8.240 nan 0.000 0.435 191 L N 1.901 122.879 121.223 -0.408 0.000 2.046 191 L HA -0.024 4.315 4.340 -0.001 0.000 0.208 191 L C 2.002 178.811 176.870 -0.103 0.000 1.077 191 L CA 1.765 56.422 54.840 -0.304 0.000 0.747 191 L CB -1.078 40.592 42.059 -0.647 0.000 0.896 191 L HN 0.249 nan 8.230 nan 0.000 0.432 192 N N -0.687 117.928 118.700 -0.141 0.000 2.069 192 N HA -0.259 4.480 4.740 -0.001 0.000 0.191 192 N C 1.972 177.541 175.510 0.099 0.000 1.031 192 N CA 1.465 54.508 53.050 -0.010 0.000 0.852 192 N CB -0.110 38.334 38.487 -0.070 0.000 1.018 192 N HN 0.477 nan 8.380 nan 0.000 0.423 193 R N -0.643 119.868 120.500 0.019 0.000 2.148 193 R HA -0.047 4.292 4.340 -0.001 0.000 0.223 193 R C 1.291 177.754 176.300 0.272 0.000 1.088 193 R CA 0.823 56.974 56.100 0.086 0.000 0.985 193 R CB -0.462 29.827 30.300 -0.018 0.000 0.880 193 R HN 0.171 nan 8.270 nan 0.000 0.451 194 F N 0.920 120.884 119.950 0.024 0.000 2.186 194 F HA -0.022 4.504 4.527 -0.001 0.000 0.299 194 F C 2.047 177.905 175.800 0.098 0.000 1.090 194 F CA -0.116 57.895 58.000 0.018 0.000 1.307 194 F CB -0.921 38.059 39.000 -0.033 0.000 1.019 194 F HN -0.060 nan 8.300 nan 0.000 0.489 195 F N 0.410 120.506 119.950 0.245 0.000 2.075 195 F HA -0.229 4.297 4.527 -0.001 0.000 0.297 195 F C 2.787 178.733 175.800 0.245 0.000 1.113 195 F CA 1.828 59.966 58.000 0.230 0.000 1.218 195 F CB -0.967 38.176 39.000 0.238 0.000 0.984 195 F HN -0.063 nan 8.300 nan 0.000 0.472 196 S N 0.236 116.004 115.700 0.114 0.000 2.370 196 S HA -0.185 4.284 4.470 -0.001 0.000 0.226 196 S C 2.146 176.746 174.600 -0.001 0.000 1.033 196 S CA 1.750 59.952 58.200 0.003 0.000 1.011 196 S CB -0.598 62.649 63.200 0.079 0.000 0.852 196 S HN 0.445 nan 8.310 nan 0.000 0.457 197 L N 0.208 121.461 121.223 0.051 0.000 2.156 197 L HA -0.010 4.329 4.340 -0.001 0.000 0.208 197 L C 2.534 179.417 176.870 0.023 0.000 1.095 197 L CA 1.410 56.270 54.840 0.035 0.000 0.770 197 L CB -0.590 41.484 42.059 0.025 0.000 0.914 197 L HN 0.425 nan 8.230 nan 0.000 0.439 198 H N -1.093 117.922 119.070 -0.092 0.000 2.423 198 H HA -0.222 4.333 4.556 -0.001 0.000 0.297 198 H C 2.000 177.248 175.328 -0.133 0.000 1.075 198 H CA 1.583 57.556 56.048 -0.125 0.000 1.342 198 H CB 0.015 29.697 29.762 -0.134 0.000 1.395 198 H HN 0.240 nan 8.280 nan 0.000 0.530 199 Y N -0.149 119.954 120.300 -0.328 0.000 2.184 199 Y HA -0.091 4.458 4.550 -0.001 0.000 0.290 199 Y C 2.320 178.156 175.900 -0.106 0.000 1.129 199 Y CA 1.347 59.262 58.100 -0.308 0.000 1.144 199 Y CB -0.671 37.581 38.460 -0.346 0.000 0.995 199 Y HN 0.339 nan 8.280 nan 0.000 0.513 200 L N -0.243 121.105 121.223 0.208 0.000 2.027 200 L HA -0.161 4.178 4.340 -0.001 0.000 0.206 200 L C 2.147 179.108 176.870 0.151 0.000 1.074 200 L CA 1.615 56.591 54.840 0.226 0.000 0.745 200 L CB -0.947 41.176 42.059 0.107 0.000 0.898 200 L HN 0.243 nan 8.230 nan 0.000 0.433 201 L N -0.232 121.005 121.223 0.023 0.000 2.043 201 L HA -0.192 4.147 4.340 -0.001 0.000 0.212 201 L C -0.049 176.777 176.870 -0.073 0.000 1.075 201 L CA 1.659 56.490 54.840 -0.015 0.000 0.752 201 L CB -2.031 40.008 42.059 -0.034 0.000 0.891 201 L HN 0.280 nan 8.230 nan 0.000 0.432 202 P HA -0.177 nan 4.420 nan 0.000 0.219 202 P C 1.343 178.445 177.300 -0.331 0.000 1.146 202 P CA 1.460 64.368 63.100 -0.321 0.000 0.808 202 P CB -0.010 31.380 31.700 -0.516 0.000 0.779 203 F N -1.635 118.309 119.950 -0.009 0.000 2.293 203 F HA -0.081 4.445 4.527 -0.001 0.000 0.297 203 F C 2.258 178.063 175.800 0.008 0.000 1.089 203 F CA 0.782 58.785 58.000 0.006 0.000 1.377 203 F CB -1.340 37.670 39.000 0.017 0.000 1.051 203 F HN -0.265 nan 8.300 nan 0.000 0.511 204 V N 0.249 120.252 119.914 0.149 0.000 2.358 204 V HA -0.269 3.850 4.120 -0.001 0.000 0.246 204 V C 2.339 178.467 176.094 0.058 0.000 1.047 204 V CA 1.592 63.949 62.300 0.095 0.000 1.035 204 V CB -0.537 31.326 31.823 0.067 0.000 0.658 204 V HN 0.250 nan 8.190 nan 0.000 0.452 205 I N 0.597 121.178 120.570 0.017 0.000 2.163 205 I HA -0.284 3.885 4.170 -0.001 0.000 0.243 205 I C 2.709 178.845 176.117 0.030 0.000 1.085 205 I CA 1.646 62.947 61.300 0.002 0.000 1.347 205 I CB -0.649 37.334 38.000 -0.028 0.000 1.044 205 I HN 0.300 nan 8.210 nan 0.000 0.408 206 A N 0.740 123.577 122.820 0.029 0.000 1.908 206 A HA -0.229 4.090 4.320 -0.001 0.000 0.218 206 A C 2.534 180.169 177.584 0.086 0.000 1.181 206 A CA 2.112 54.182 52.037 0.055 0.000 0.627 206 A CB -0.879 18.160 19.000 0.066 0.000 0.818 206 A HN 0.469 nan 8.150 nan 0.000 0.445 207 A N -0.364 122.514 122.820 0.097 0.000 1.877 207 A HA -0.020 4.299 4.320 -0.001 0.000 0.216 207 A C 2.174 179.820 177.584 0.102 0.000 1.186 207 A CA 1.477 53.572 52.037 0.096 0.000 0.620 207 A CB -0.601 18.456 19.000 0.094 0.000 0.822 207 A HN 0.475 nan 8.150 nan 0.000 0.443 208 L N -0.532 120.744 121.223 0.089 0.000 2.083 208 L HA -0.148 4.191 4.340 -0.001 0.000 0.209 208 L C 2.463 179.411 176.870 0.130 0.000 1.083 208 L CA 0.908 55.805 54.840 0.094 0.000 0.752 208 L CB -0.530 41.559 42.059 0.049 0.000 0.899 208 L HN 0.233 nan 8.230 nan 0.000 0.433 209 V N 0.117 120.101 119.914 0.117 0.000 2.490 209 V HA -0.293 3.826 4.120 -0.001 0.000 0.250 209 V C 2.717 178.943 176.094 0.221 0.000 1.061 209 V CA 1.693 64.100 62.300 0.179 0.000 1.064 209 V CB -0.757 31.151 31.823 0.142 0.000 0.670 209 V HN 0.485 nan 8.190 nan 0.000 0.461 210 A N 0.032 122.947 122.820 0.159 0.000 1.902 210 A HA -0.155 4.164 4.320 -0.001 0.000 0.217 210 A C 2.143 179.846 177.584 0.199 0.000 1.181 210 A CA 1.818 53.935 52.037 0.132 0.000 0.623 210 A CB -0.466 18.585 19.000 0.085 0.000 0.818 210 A HN 0.514 nan 8.150 nan 0.000 0.443 211 I N -1.448 119.268 120.570 0.244 0.000 2.394 211 I HA -0.219 3.950 4.170 -0.001 0.000 0.251 211 I C 2.476 178.766 176.117 0.287 0.000 1.136 211 I CA 1.586 63.076 61.300 0.318 0.000 1.425 211 I CB -0.483 37.668 38.000 0.251 0.000 1.079 211 I HN 0.493 nan 8.210 nan 0.000 0.425 212 H N 1.528 120.700 119.070 0.170 0.000 2.321 212 H HA -0.138 4.417 4.556 -0.001 0.000 0.300 212 H C 2.137 177.570 175.328 0.174 0.000 1.087 212 H CA 1.963 58.139 56.048 0.213 0.000 1.319 212 H CB -0.136 29.774 29.762 0.246 0.000 1.379 212 H HN 0.201 nan 8.280 nan 0.000 0.501 213 I N -1.032 119.589 120.570 0.085 0.000 2.226 213 I HA -0.274 3.895 4.170 -0.001 0.000 0.245 213 I C 2.208 178.012 176.117 -0.521 0.000 1.100 213 I CA 1.082 62.076 61.300 -0.510 0.000 1.374 213 I CB -0.405 37.514 38.000 -0.134 0.000 1.057 213 I HN 0.401 nan 8.210 nan 0.000 0.413 214 W N 2.159 123.284 121.300 -0.292 0.000 2.335 214 W HA -0.233 4.426 4.660 -0.002 0.000 0.311 214 W C 2.584 179.021 176.519 -0.137 0.000 1.213 214 W CA 1.663 58.898 57.345 -0.184 0.000 1.274 214 W CB -0.746 28.666 29.460 -0.080 0.000 1.148 214 W HN 0.134 nan 8.180 nan 0.000 0.498 215 A N 0.707 123.499 122.820 -0.046 0.000 1.865 215 A HA -0.223 4.096 4.320 -0.001 0.000 0.217 215 A C 2.051 179.628 177.584 -0.011 0.000 1.191 215 A CA 2.312 54.288 52.037 -0.102 0.000 0.623 215 A CB -1.807 17.200 19.000 0.012 0.000 0.826 215 A HN 0.561 nan 8.150 nan 0.000 0.444 216 F N -2.164 117.788 119.950 0.004 0.000 2.558 216 F HA 0.060 4.586 4.527 -0.001 0.000 0.298 216 F C 1.942 177.733 175.800 -0.016 0.000 1.119 216 F CA 1.127 59.108 58.000 -0.031 0.000 1.451 216 F CB -0.824 38.117 39.000 -0.098 0.000 1.091 216 F HN 0.305 nan 8.300 nan 0.000 0.563 217 H N 0.055 118.987 119.070 -0.230 0.000 2.436 217 H HA 0.004 4.559 4.556 -0.001 0.000 0.294 217 H C 2.041 177.398 175.328 0.048 0.000 1.048 217 H CA 1.418 57.428 56.048 -0.062 0.000 1.353 217 H CB 0.144 29.834 29.762 -0.120 0.000 1.414 217 H HN 0.339 nan 8.280 nan 0.000 0.536 218 S N -0.278 115.493 115.700 0.119 0.000 2.402 218 S HA -0.114 4.355 4.470 -0.001 0.000 0.229 218 S C 2.245 176.872 174.600 0.046 0.000 1.021 218 S CA 1.734 59.975 58.200 0.068 0.000 0.974 218 S CB -0.117 63.042 63.200 -0.067 0.000 0.800 218 S HN 0.671 nan 8.310 nan 0.000 0.484 219 T N -1.713 112.868 114.554 0.044 0.000 3.014 219 T HA 0.494 4.843 4.350 -0.001 0.000 0.250 219 T C 0.928 175.651 174.700 0.038 0.000 1.060 219 T CA 0.497 62.618 62.100 0.035 0.000 1.040 219 T CB 0.121 69.009 68.868 0.033 0.000 0.971 219 T HN 0.631 nan 8.240 nan 0.000 0.497 220 G N 1.706 110.535 108.800 0.048 0.000 2.719 220 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.686 220 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.686 220 G C -0.902 174.021 174.900 0.038 0.000 1.201 220 G CA -0.857 44.255 45.100 0.021 0.000 0.768 220 G HN 0.484 nan 8.290 nan 0.000 0.629 221 N N 0.297 119.002 118.700 0.008 0.000 2.416 221 N HA 0.177 4.916 4.740 -0.001 0.000 0.246 221 N C 0.670 176.197 175.510 0.029 0.000 1.260 221 N CA 0.131 53.188 53.050 0.012 0.000 0.897 221 N CB 0.696 39.153 38.487 -0.050 0.000 1.110 221 N HN 0.804 nan 8.380 nan 0.000 0.439 222 N N 0.149 118.917 118.700 0.113 0.000 2.476 222 N HA 0.200 4.939 4.740 -0.001 0.000 0.275 222 N C -0.975 174.621 175.510 0.144 0.000 1.190 222 N CA -0.486 52.634 53.050 0.116 0.000 0.977 222 N CB 0.755 39.322 38.487 0.133 0.000 1.200 222 N HN 0.696 nan 8.380 nan 0.000 0.515 223 N N -0.791 117.904 118.700 -0.008 0.000 2.629 223 N HA 0.535 5.274 4.740 -0.001 0.000 0.279 223 N C -2.551 172.818 175.510 -0.235 0.000 1.344 223 N CA -1.435 51.392 53.050 -0.372 0.000 0.789 223 N CB 1.568 39.843 38.487 -0.354 0.000 1.508 223 N HN 0.191 nan 8.380 nan 0.000 0.516 224 P HA -0.104 nan 4.420 nan 0.000 0.226 224 P C 0.625 178.018 177.300 0.155 0.000 1.146 224 P CA 1.344 64.360 63.100 -0.140 0.000 0.773 224 P CB -0.022 31.594 31.700 -0.140 0.000 0.772 225 T N -6.452 108.165 114.554 0.105 0.000 3.044 225 T HA 0.299 4.649 4.350 -0.001 0.000 0.250 225 T C 1.675 176.523 174.700 0.245 0.000 1.081 225 T CA 0.611 62.866 62.100 0.259 0.000 1.040 225 T CB -0.645 68.358 68.868 0.225 0.000 0.962 225 T HN 0.170 nan 8.240 nan 0.000 0.506 226 G N 0.973 109.846 108.800 0.122 0.000 2.184 226 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.264 226 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.264 226 G C 0.076 174.993 174.900 0.030 0.000 0.975 226 G CA 0.146 45.284 45.100 0.065 0.000 0.642 226 G HN 0.768 nan 8.290 nan 0.000 0.536 227 V N 2.133 122.069 119.914 0.036 0.000 2.406 227 V HA 0.407 4.526 4.120 -0.001 0.000 0.272 227 V C 0.755 176.841 176.094 -0.014 0.000 1.043 227 V CA -1.069 61.233 62.300 0.003 0.000 0.915 227 V CB 1.493 33.317 31.823 0.002 0.000 0.988 227 V HN 0.306 nan 8.190 nan 0.000 0.466 228 E N 2.675 122.863 120.200 -0.021 0.000 2.428 228 E HA 0.165 4.514 4.350 -0.001 0.000 0.257 228 E C -0.135 176.451 176.600 -0.024 0.000 1.197 228 E CA -0.180 56.206 56.400 -0.023 0.000 0.974 228 E CB 1.009 30.695 29.700 -0.023 0.000 0.976 228 E HN 0.379 nan 8.360 nan 0.000 0.463 229 V N 2.065 121.965 119.914 -0.024 0.000 2.649 229 V HA 0.076 4.195 4.120 -0.001 0.000 0.292 229 V C 0.863 176.947 176.094 -0.018 0.000 1.055 229 V CA -0.116 62.170 62.300 -0.023 0.000 1.023 229 V CB 0.695 32.506 31.823 -0.019 0.000 0.992 229 V HN 0.455 nan 8.190 nan 0.000 0.480 230 R N 4.154 124.643 120.500 -0.018 0.000 2.449 230 R HA 0.176 4.515 4.340 -0.001 0.000 0.296 230 R C 0.628 176.922 176.300 -0.011 0.000 1.047 230 R CA -0.317 55.774 56.100 -0.015 0.000 1.018 230 R CB 0.489 30.779 30.300 -0.015 0.000 0.962 230 R HN 0.501 nan 8.270 nan 0.000 0.428 231 R N 1.231 121.724 120.500 -0.011 0.000 2.290 231 R HA -0.011 4.328 4.340 -0.001 0.000 0.197 231 R C 1.596 177.888 176.300 -0.012 0.000 0.913 231 R CA 0.675 56.768 56.100 -0.011 0.000 1.040 231 R CB -0.239 30.054 30.300 -0.011 0.000 0.992 231 R HN 0.729 nan 8.270 nan 0.000 0.500 232 T N -0.849 113.699 114.554 -0.012 0.000 2.803 232 T HA -0.096 4.254 4.350 -0.001 0.000 0.269 232 T C 1.093 175.787 174.700 -0.010 0.000 1.052 232 T CA 1.154 63.248 62.100 -0.011 0.000 1.136 232 T CB -0.131 68.731 68.868 -0.010 0.000 0.864 232 T HN 0.251 nan 8.240 nan 0.000 0.467 233 S N -0.873 114.823 115.700 -0.008 0.000 2.535 233 S HA 0.455 4.924 4.470 -0.001 0.000 0.272 233 S C 0.190 174.790 174.600 -0.001 0.000 1.149 233 S CA -1.154 57.043 58.200 -0.005 0.000 0.888 233 S CB 2.057 65.255 63.200 -0.004 0.000 1.110 233 S HN 0.106 nan 8.310 nan 0.000 0.463 234 K N 1.212 121.614 120.400 0.004 0.000 2.160 234 K HA -0.159 4.160 4.320 -0.001 0.000 0.206 234 K C 2.288 178.896 176.600 0.014 0.000 1.047 234 K CA 1.590 57.887 56.287 0.017 0.000 0.930 234 K CB -0.649 31.868 32.500 0.027 0.000 0.720 234 K HN 0.715 nan 8.250 nan 0.000 0.450 235 A N 2.685 125.510 122.820 0.008 0.000 1.849 235 A HA -0.260 4.059 4.320 -0.001 0.000 0.217 235 A C 2.142 179.724 177.584 -0.003 0.000 1.202 235 A CA 2.122 54.162 52.037 0.004 0.000 0.629 235 A CB -0.600 18.402 19.000 0.002 0.000 0.834 235 A HN 0.536 nan 8.150 nan 0.000 0.447 236 E N -0.243 119.953 120.200 -0.006 0.000 2.152 236 E HA 0.048 4.397 4.350 -0.001 0.000 0.192 236 E C 2.054 178.645 176.600 -0.015 0.000 0.983 236 E CA 0.928 57.321 56.400 -0.011 0.000 0.818 236 E CB -0.479 29.215 29.700 -0.010 0.000 0.758 236 E HN 0.486 nan 8.360 nan 0.000 0.467 237 A N 1.905 124.720 122.820 -0.009 0.000 1.948 237 A HA -0.262 4.057 4.320 -0.001 0.000 0.220 237 A C 2.198 179.773 177.584 -0.015 0.000 1.177 237 A CA 1.834 53.867 52.037 -0.007 0.000 0.636 237 A CB -0.599 18.406 19.000 0.007 0.000 0.815 237 A HN 0.311 nan 8.150 nan 0.000 0.449 238 Q N -0.568 119.225 119.800 -0.013 0.000 2.230 238 Q HA -0.115 4.224 4.340 -0.001 0.000 0.202 238 Q C 1.785 177.745 176.000 -0.066 0.000 0.963 238 Q CA 1.333 57.119 55.803 -0.029 0.000 0.866 238 Q CB -0.122 28.608 28.738 -0.013 0.000 0.931 238 Q HN 0.698 nan 8.270 nan 0.000 0.452 239 K N 0.349 120.718 120.400 -0.053 0.000 2.288 239 K HA -0.087 4.232 4.320 -0.001 0.000 0.201 239 K C 0.981 177.528 176.600 -0.087 0.000 1.048 239 K CA 0.898 57.148 56.287 -0.061 0.000 0.956 239 K CB 0.227 32.708 32.500 -0.031 0.000 0.746 239 K HN 0.122 nan 8.250 nan 0.000 0.461 240 D N 0.363 120.714 120.400 -0.081 0.000 2.301 240 D HA -0.030 4.610 4.640 -0.001 0.000 0.206 240 D C 1.128 177.348 176.300 -0.135 0.000 0.979 240 D CA 0.883 54.828 54.000 -0.091 0.000 0.874 240 D CB 0.451 41.218 40.800 -0.054 0.000 0.968 240 D HN 0.290 nan 8.370 nan 0.000 0.510 241 T N -1.862 112.617 114.554 -0.125 0.000 2.762 241 T HA 0.672 5.021 4.350 -0.001 0.000 0.272 241 T C -0.250 174.344 174.700 -0.177 0.000 0.982 241 T CA -0.740 61.293 62.100 -0.112 0.000 1.013 241 T CB 1.965 70.821 68.868 -0.019 0.000 1.309 241 T HN -0.080 nan 8.240 nan 0.000 0.572 242 V N -3.038 116.810 119.914 -0.111 0.000 3.147 242 V HA 0.779 4.898 4.120 -0.001 0.000 0.299 242 V C -3.276 172.868 176.094 0.083 0.000 1.302 242 V CA -2.459 59.733 62.300 -0.180 0.000 1.015 242 V CB 1.795 33.263 31.823 -0.592 0.000 1.086 242 V HN 0.957 nan 8.190 nan 0.000 0.437 243 P HA 0.174 nan 4.420 nan 0.000 0.275 243 P C 0.554 178.077 177.300 0.371 0.000 1.228 243 P CA -0.015 63.246 63.100 0.269 0.000 0.786 243 P CB 0.925 32.754 31.700 0.216 0.000 0.927 244 F N 3.473 123.581 119.950 0.264 0.000 2.091 244 F HA -0.104 4.422 4.527 -0.002 0.000 0.299 244 F C 0.776 176.737 175.800 0.269 0.000 1.103 244 F CA 0.894 59.100 58.000 0.343 0.000 1.228 244 F CB -0.386 38.804 39.000 0.317 0.000 0.984 244 F HN 0.355 nan 8.300 nan 0.000 0.477 245 W N 3.574 124.833 121.300 -0.068 0.000 2.390 245 W HA 0.278 4.938 4.660 -0.001 0.000 0.312 245 W C -2.250 174.132 176.519 -0.229 0.000 1.123 245 W CA -1.966 55.235 57.345 -0.240 0.000 1.202 245 W CB 1.198 30.560 29.460 -0.162 0.000 1.251 245 W HN -0.039 nan 8.180 nan 0.000 0.511 246 P HA -0.017 nan 4.420 nan 0.000 0.275 246 P C 0.681 177.392 177.300 -0.982 0.000 1.310 246 P CA 0.419 62.457 63.100 -1.770 0.000 0.904 246 P CB 0.322 30.687 31.700 -2.225 0.000 1.381 247 Y N -0.145 119.818 120.300 -0.560 0.000 2.081 247 Y HA -0.186 4.363 4.550 -0.001 0.000 0.280 247 Y C 2.171 177.763 175.900 -0.512 0.000 1.163 247 Y CA 1.799 59.577 58.100 -0.537 0.000 1.135 247 Y CB -1.538 36.552 38.460 -0.616 0.000 0.970 247 Y HN -0.129 nan 8.280 nan 0.000 0.498 248 F N -1.608 118.346 119.950 0.006 0.000 2.317 248 F HA -0.023 4.503 4.527 -0.002 0.000 0.293 248 F C 2.254 178.016 175.800 -0.064 0.000 1.085 248 F CA 0.033 58.079 58.000 0.076 0.000 1.390 248 F CB -0.666 38.563 39.000 0.381 0.000 1.077 248 F HN -0.048 nan 8.300 nan 0.000 0.517 249 I N 0.196 120.584 120.570 -0.304 0.000 2.248 249 I HA -0.327 3.842 4.170 -0.001 0.000 0.248 249 I C 2.322 178.430 176.117 -0.015 0.000 1.107 249 I CA 1.870 63.016 61.300 -0.257 0.000 1.373 249 I CB -0.876 36.999 38.000 -0.209 0.000 1.055 249 I HN 0.156 nan 8.210 nan 0.000 0.418 250 I N 0.821 121.339 120.570 -0.087 0.000 2.406 250 I HA -0.263 3.906 4.170 -0.001 0.000 0.249 250 I C 2.596 178.801 176.117 0.147 0.000 1.122 250 I CA 0.895 62.189 61.300 -0.010 0.000 1.431 250 I CB -0.237 37.676 38.000 -0.145 0.000 1.087 250 I HN 0.269 nan 8.210 nan 0.000 0.424 251 K N 0.634 121.152 120.400 0.196 0.000 2.155 251 K HA -0.149 4.170 4.320 -0.001 0.000 0.203 251 K C 1.295 178.152 176.600 0.428 0.000 1.052 251 K CA 1.630 58.154 56.287 0.395 0.000 0.948 251 K CB -0.229 32.485 32.500 0.356 0.000 0.728 251 K HN 0.097 nan 8.250 nan 0.000 0.448 252 D N 1.378 121.972 120.400 0.324 0.000 2.084 252 D HA -0.141 4.498 4.640 -0.001 0.000 0.194 252 D C 2.026 178.416 176.300 0.150 0.000 0.990 252 D CA 1.522 55.671 54.000 0.247 0.000 0.826 252 D CB -0.286 40.682 40.800 0.281 0.000 0.971 252 D HN 0.043 nan 8.370 nan 0.000 0.453 253 V N 0.811 120.819 119.914 0.157 0.000 2.392 253 V HA -0.232 3.887 4.120 -0.001 0.000 0.249 253 V C 2.069 178.229 176.094 0.111 0.000 1.059 253 V CA 1.295 63.660 62.300 0.109 0.000 1.051 253 V CB -0.590 31.307 31.823 0.122 0.000 0.658 253 V HN 0.153 nan 8.190 nan 0.000 0.455 254 F N 1.848 121.832 119.950 0.056 0.000 2.113 254 F HA -0.078 4.448 4.527 -0.001 0.000 0.297 254 F C 2.248 178.045 175.800 -0.006 0.000 1.103 254 F CA 1.251 59.277 58.000 0.044 0.000 1.248 254 F CB -0.815 38.246 39.000 0.101 0.000 0.999 254 F HN 0.069 nan 8.300 nan 0.000 0.475 255 A N 0.776 123.368 122.820 -0.381 0.000 1.877 255 A HA -0.169 4.151 4.320 -0.001 0.000 0.216 255 A C 2.179 179.503 177.584 -0.434 0.000 1.186 255 A CA 1.746 53.436 52.037 -0.578 0.000 0.620 255 A CB -1.446 17.383 19.000 -0.285 0.000 0.822 255 A HN 0.497 nan 8.150 nan 0.000 0.443 256 L N -0.109 120.958 121.223 -0.260 0.000 2.043 256 L HA -0.161 4.178 4.340 -0.001 0.000 0.212 256 L C 2.675 179.399 176.870 -0.244 0.000 1.075 256 L CA 2.295 56.986 54.840 -0.248 0.000 0.752 256 L CB -0.765 41.169 42.059 -0.208 0.000 0.891 256 L HN 0.371 nan 8.230 nan 0.000 0.432 257 A N -1.500 121.202 122.820 -0.197 0.000 1.933 257 A HA -0.128 4.191 4.320 -0.001 0.000 0.218 257 A C 2.229 179.737 177.584 -0.126 0.000 1.175 257 A CA 1.881 53.846 52.037 -0.120 0.000 0.628 257 A CB -0.950 18.034 19.000 -0.028 0.000 0.814 257 A HN 0.318 nan 8.150 nan 0.000 0.444 258 V N -0.619 119.135 119.914 -0.267 0.000 2.379 258 V HA -0.187 3.932 4.120 -0.001 0.000 0.245 258 V C 2.537 178.559 176.094 -0.119 0.000 1.044 258 V CA 1.778 63.937 62.300 -0.234 0.000 1.036 258 V CB -0.745 30.809 31.823 -0.449 0.000 0.664 258 V HN 0.352 nan 8.190 nan 0.000 0.453 259 V N -0.014 119.813 119.914 -0.145 0.000 2.295 259 V HA -0.245 3.874 4.120 -0.001 0.000 0.246 259 V C 2.319 178.463 176.094 0.083 0.000 1.049 259 V CA 1.958 64.243 62.300 -0.025 0.000 1.024 259 V CB -0.510 31.279 31.823 -0.058 0.000 0.648 259 V HN 0.447 nan 8.190 nan 0.000 0.447 260 L N -0.708 120.548 121.223 0.056 0.000 2.191 260 L HA -0.160 4.179 4.340 -0.001 0.000 0.212 260 L C 2.429 179.541 176.870 0.402 0.000 1.103 260 L CA 0.840 55.841 54.840 0.268 0.000 0.769 260 L CB -0.574 41.596 42.059 0.184 0.000 0.908 260 L HN 0.362 nan 8.230 nan 0.000 0.438 261 L N -0.184 121.164 121.223 0.209 0.000 2.017 261 L HA -0.158 4.181 4.340 -0.001 0.000 0.208 261 L C 2.388 179.386 176.870 0.214 0.000 1.073 261 L CA 1.819 56.772 54.840 0.189 0.000 0.745 261 L CB -0.553 41.558 42.059 0.086 0.000 0.894 261 L HN -0.065 nan 8.230 nan 0.000 0.432 262 V N -0.540 119.480 119.914 0.177 0.000 2.307 262 V HA -0.285 3.834 4.120 -0.001 0.000 0.245 262 V C 2.357 178.579 176.094 0.213 0.000 1.045 262 V CA 1.929 64.329 62.300 0.166 0.000 1.024 262 V CB -1.057 30.849 31.823 0.138 0.000 0.651 262 V HN 0.513 nan 8.190 nan 0.000 0.449 263 F N 0.805 120.810 119.950 0.092 0.000 2.091 263 F HA -0.217 4.309 4.527 -0.002 0.000 0.299 263 F C 2.046 177.830 175.800 -0.026 0.000 1.103 263 F CA 1.642 59.655 58.000 0.022 0.000 1.228 263 F CB -0.614 38.368 39.000 -0.031 0.000 0.984 263 F HN 0.134 nan 8.300 nan 0.000 0.477 264 F N 0.265 120.176 119.950 -0.066 0.000 2.234 264 F HA -0.031 4.495 4.527 -0.002 0.000 0.299 264 F C 2.524 178.273 175.800 -0.084 0.000 1.087 264 F CA 1.135 59.034 58.000 -0.169 0.000 1.340 264 F CB -1.160 37.835 39.000 -0.008 0.000 1.031 264 F HN 0.084 nan 8.300 nan 0.000 0.500 265 A N 0.302 123.247 122.820 0.209 0.000 1.902 265 A HA -0.139 4.180 4.320 -0.001 0.000 0.217 265 A C 2.231 179.941 177.584 0.209 0.000 1.181 265 A CA 1.386 53.604 52.037 0.302 0.000 0.623 265 A CB -0.734 18.409 19.000 0.240 0.000 0.818 265 A HN 0.219 nan 8.150 nan 0.000 0.443 266 I N 0.006 120.607 120.570 0.051 0.000 2.113 266 I HA -0.184 3.985 4.170 -0.001 0.000 0.238 266 I C 2.551 178.597 176.117 -0.117 0.000 1.070 266 I CA 1.301 62.597 61.300 -0.006 0.000 1.332 266 I CB -1.491 36.511 38.000 0.004 0.000 1.044 266 I HN 0.145 nan 8.210 nan 0.000 0.402 267 V N 1.345 121.082 119.914 -0.295 0.000 2.392 267 V HA -0.212 3.907 4.120 -0.001 0.000 0.249 267 V C 2.624 178.561 176.094 -0.261 0.000 1.059 267 V CA 2.079 64.176 62.300 -0.338 0.000 1.051 267 V CB -1.482 30.015 31.823 -0.544 0.000 0.658 267 V HN 0.554 nan 8.190 nan 0.000 0.455 268 G N -1.221 107.414 108.800 -0.274 0.000 2.408 268 G HA2 -0.133 3.826 3.960 -0.001 0.000 0.215 268 G HA3 -0.133 3.826 3.960 -0.001 0.000 0.215 268 G C 1.289 175.723 174.900 -0.777 0.000 1.156 268 G CA 0.611 45.401 45.100 -0.518 0.000 0.793 268 G HN 0.518 nan 8.290 nan 0.000 0.535 269 F N -0.123 119.805 119.950 -0.036 0.000 2.678 269 F HA 0.399 4.925 4.527 -0.001 0.000 0.291 269 F C 1.455 177.216 175.800 -0.066 0.000 1.123 269 F CA 0.090 58.064 58.000 -0.042 0.000 1.395 269 F CB 0.360 39.340 39.000 -0.033 0.000 1.121 269 F HN 0.035 nan 8.300 nan 0.000 0.592 270 M N -0.371 119.243 119.600 0.024 0.000 3.951 270 M HA 0.356 4.835 4.480 -0.001 0.000 0.444 270 M C -2.442 173.834 176.300 -0.041 0.000 1.957 270 M CA -1.095 54.207 55.300 0.004 0.000 0.521 270 M CB 0.828 33.433 32.600 0.008 0.000 1.436 270 M HN -0.300 nan 8.290 nan 0.000 0.525 271 P HA -0.118 nan 4.420 nan 0.000 0.221 271 P C 0.219 177.402 177.300 -0.195 0.000 1.145 271 P CA 1.400 64.254 63.100 -0.410 0.000 0.795 271 P CB 0.087 31.072 31.700 -1.191 0.000 0.775 272 N N -1.776 116.894 118.700 -0.050 0.000 2.236 272 N HA -0.024 4.715 4.740 -0.001 0.000 0.196 272 N C 1.452 177.067 175.510 0.174 0.000 1.114 272 N CA -0.160 52.975 53.050 0.142 0.000 0.859 272 N CB -0.335 38.287 38.487 0.225 0.000 0.982 272 N HN 0.150 nan 8.380 nan 0.000 0.493 273 Y N 1.811 122.134 120.300 0.038 0.000 2.145 273 Y HA -0.014 4.535 4.550 -0.001 0.000 0.286 273 Y C 1.680 177.610 175.900 0.050 0.000 1.145 273 Y CA 1.395 59.515 58.100 0.034 0.000 1.148 273 Y CB -0.215 38.252 38.460 0.011 0.000 0.981 273 Y HN -0.048 nan 8.280 nan 0.000 0.507 274 L N 0.395 121.632 121.223 0.023 0.000 2.645 274 L HA 0.200 4.539 4.340 -0.001 0.000 0.235 274 L C 1.030 177.960 176.870 0.100 0.000 1.150 274 L CA 0.082 54.921 54.840 -0.000 0.000 0.911 274 L CB -0.853 41.328 42.059 0.203 0.000 1.077 274 L HN 0.251 nan 8.230 nan 0.000 0.438 275 G N -2.325 106.521 108.800 0.076 0.000 2.932 275 G HA2 0.304 4.263 3.960 -0.001 0.000 0.283 275 G HA3 0.304 4.263 3.960 -0.001 0.000 0.283 275 G C -1.502 173.466 174.900 0.113 0.000 1.336 275 G CA -0.352 44.827 45.100 0.133 0.000 1.056 275 G HN 0.005 nan 8.290 nan 0.000 0.522 276 H N 0.330 119.459 119.070 0.098 0.000 2.551 276 H HA 0.361 4.916 4.556 -0.001 0.000 0.321 276 H C -1.693 173.712 175.328 0.130 0.000 1.028 276 H CA -1.884 54.222 56.048 0.097 0.000 1.215 276 H CB 2.326 32.154 29.762 0.110 0.000 1.414 276 H HN 0.064 nan 8.280 nan 0.000 0.480 277 P HA -0.146 nan 4.420 nan 0.000 0.217 277 P C 0.803 178.363 177.300 0.433 0.000 1.148 277 P CA 1.073 64.405 63.100 0.386 0.000 0.834 277 P CB 0.481 32.324 31.700 0.238 0.000 0.783 278 D N -1.765 118.961 120.400 0.543 0.000 2.350 278 D HA -0.085 4.554 4.640 -0.001 0.000 0.216 278 D C 1.312 177.716 176.300 0.175 0.000 0.968 278 D CA 0.724 54.897 54.000 0.289 0.000 0.894 278 D CB -0.715 40.174 40.800 0.148 0.000 0.909 278 D HN 0.109 nan 8.370 nan 0.000 0.520 279 N N -0.545 118.238 118.700 0.138 0.000 2.449 279 N HA -0.073 4.666 4.740 -0.001 0.000 0.191 279 N C 0.077 175.642 175.510 0.092 0.000 1.161 279 N CA 0.156 53.224 53.050 0.029 0.000 0.863 279 N CB -0.054 38.366 38.487 -0.112 0.000 0.980 279 N HN 0.143 nan 8.380 nan 0.000 0.458 280 Y N -0.353 120.117 120.300 0.284 0.000 2.532 280 Y HA 0.393 4.942 4.550 -0.002 0.000 0.283 280 Y C -0.002 176.134 175.900 0.393 0.000 1.181 280 Y CA -0.235 58.083 58.100 0.363 0.000 1.256 280 Y CB 0.168 38.778 38.460 0.251 0.000 1.112 280 Y HN -0.060 nan 8.280 nan 0.000 0.521 281 I N -0.004 120.781 120.570 0.359 0.000 2.474 281 I HA 0.223 4.392 4.170 -0.001 0.000 0.294 281 I C -0.146 175.895 176.117 -0.127 0.000 1.005 281 I CA -1.055 60.306 61.300 0.101 0.000 1.113 281 I CB 1.949 40.003 38.000 0.091 0.000 1.289 281 I HN -0.046 nan 8.210 nan 0.000 0.436 282 E N 3.663 123.578 120.200 -0.475 0.000 2.413 282 E HA 0.273 4.622 4.350 -0.001 0.000 0.263 282 E C 0.082 176.491 176.600 -0.318 0.000 1.015 282 E CA -0.367 55.660 56.400 -0.621 0.000 0.916 282 E CB 0.721 30.048 29.700 -0.622 0.000 0.947 282 E HN 0.674 nan 8.360 nan 0.000 0.440 283 A N 3.757 126.370 122.820 -0.344 0.000 2.584 283 A HA -0.072 4.248 4.320 -0.001 0.000 0.239 283 A C 0.100 177.396 177.584 -0.481 0.000 1.043 283 A CA 0.230 51.953 52.037 -0.523 0.000 0.756 283 A CB -0.027 18.338 19.000 -1.058 0.000 0.963 283 A HN 0.521 nan 8.150 nan 0.000 0.511 284 N N 3.360 121.810 118.700 -0.417 0.000 2.573 284 N HA 0.376 5.115 4.740 -0.001 0.000 0.262 284 N C -2.420 172.882 175.510 -0.347 0.000 1.029 284 N CA -2.162 50.723 53.050 -0.275 0.000 0.882 284 N CB 1.787 40.241 38.487 -0.055 0.000 1.204 284 N HN 0.172 nan 8.380 nan 0.000 0.519 285 P HA 0.013 nan 4.420 nan 0.000 0.228 285 P C 0.717 178.080 177.300 0.105 0.000 1.151 285 P CA 0.861 63.597 63.100 -0.607 0.000 0.770 285 P CB 0.385 31.762 31.700 -0.538 0.000 0.786 286 L N -1.497 119.792 121.223 0.110 0.000 2.818 286 L HA 0.292 4.631 4.340 -0.001 0.000 0.243 286 L C 0.900 177.863 176.870 0.155 0.000 1.185 286 L CA -0.128 54.804 54.840 0.153 0.000 0.988 286 L CB 0.122 42.214 42.059 0.055 0.000 1.292 286 L HN -0.065 nan 8.230 nan 0.000 0.519 287 R N 0.055 120.709 120.500 0.256 0.000 2.678 287 R HA 0.250 4.589 4.340 -0.001 0.000 0.267 287 R C -1.466 174.767 176.300 -0.111 0.000 1.173 287 R CA -0.239 55.883 56.100 0.037 0.000 1.061 287 R CB 1.677 31.986 30.300 0.015 0.000 1.262 287 R HN -0.161 nan 8.270 nan 0.000 0.427 288 T N 5.893 120.102 114.554 -0.575 0.000 2.767 288 T HA 0.357 4.706 4.350 -0.001 0.000 0.288 288 T C -2.415 172.025 174.700 -0.432 0.000 0.963 288 T CA -1.222 60.290 62.100 -0.980 0.000 1.019 288 T CB 1.455 69.579 68.868 -1.241 0.000 0.923 288 T HN 0.400 nan 8.240 nan 0.000 0.468 289 P HA 0.164 nan 4.420 nan 0.000 0.266 289 P C 0.481 177.664 177.300 -0.195 0.000 1.193 289 P CA -0.209 62.805 63.100 -0.142 0.000 0.770 289 P CB 0.447 32.123 31.700 -0.040 0.000 0.836 290 A N 2.649 125.324 122.820 -0.241 0.000 1.969 290 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 290 A C 1.025 178.325 177.584 -0.474 0.000 1.169 290 A CA 1.322 53.123 52.037 -0.393 0.000 0.635 290 A CB -0.799 17.882 19.000 -0.532 0.000 0.810 290 A HN 0.610 nan 8.150 nan 0.000 0.445 291 H N -1.031 118.059 119.070 0.032 0.000 2.503 291 H HA 0.296 4.851 4.556 -0.001 0.000 0.296 291 H C -0.024 175.393 175.328 0.149 0.000 1.097 291 H CA -0.873 55.221 56.048 0.076 0.000 1.055 291 H CB -0.483 29.331 29.762 0.085 0.000 1.580 291 H HN 0.482 nan 8.280 nan 0.000 0.546 292 I N 1.828 122.450 120.570 0.086 0.000 2.752 292 I HA -0.020 4.150 4.170 -0.001 0.000 0.289 292 I C -0.641 175.512 176.117 0.060 0.000 1.197 292 I CA 0.450 61.759 61.300 0.016 0.000 1.432 292 I CB 0.143 38.114 38.000 -0.048 0.000 1.359 292 I HN -0.159 nan 8.210 nan 0.000 0.571 293 V N 7.283 127.224 119.914 0.044 0.000 2.891 293 V HA 0.393 4.512 4.120 -0.001 0.000 0.304 293 V C -2.268 173.742 176.094 -0.141 0.000 1.171 293 V CA -1.185 61.086 62.300 -0.048 0.000 0.943 293 V CB 1.748 33.605 31.823 0.057 0.000 1.037 293 V HN 0.682 nan 8.190 nan 0.000 0.427 294 P HA 0.294 nan 4.420 nan 0.000 0.273 294 P C -0.672 176.422 177.300 -0.343 0.000 1.250 294 P CA -0.476 62.413 63.100 -0.353 0.000 0.793 294 P CB 0.460 31.861 31.700 -0.499 0.000 1.011 295 E N 0.764 120.642 120.200 -0.536 0.000 2.414 295 E HA -0.059 4.291 4.350 -0.001 0.000 0.263 295 E C 1.120 177.175 176.600 -0.908 0.000 1.000 295 E CA -0.031 55.821 56.400 -0.915 0.000 0.914 295 E CB -0.101 28.622 29.700 -1.628 0.000 0.948 295 E HN 0.539 nan 8.360 nan 0.000 0.444 296 W N 4.541 125.471 121.300 -0.616 0.000 2.290 296 W HA -0.363 4.296 4.660 -0.001 0.000 0.311 296 W C 0.926 177.259 176.519 -0.309 0.000 1.238 296 W CA 1.421 58.541 57.345 -0.376 0.000 1.255 296 W CB -1.018 28.317 29.460 -0.207 0.000 1.145 296 W HN 0.756 nan 8.180 nan 0.000 0.506 297 Y N -2.358 117.029 120.300 -1.520 0.000 2.680 297 Y HA 0.077 4.627 4.550 -0.002 0.000 0.303 297 Y C 1.577 177.227 175.900 -0.415 0.000 1.166 297 Y CA 0.165 57.537 58.100 -1.215 0.000 1.344 297 Y CB -1.752 35.588 38.460 -1.867 0.000 1.002 297 Y HN -0.194 nan 8.280 nan 0.000 0.537 298 F N -0.400 119.259 119.950 -0.485 0.000 2.717 298 F HA 0.231 4.757 4.527 -0.001 0.000 0.297 298 F C 1.810 177.536 175.800 -0.122 0.000 1.113 298 F CA -0.956 56.913 58.000 -0.218 0.000 1.319 298 F CB -0.583 38.209 39.000 -0.346 0.000 1.097 298 F HN 0.114 nan 8.300 nan 0.000 0.595 299 L N 1.473 122.688 121.223 -0.013 0.000 1.997 299 L HA -0.228 4.111 4.340 -0.001 0.000 0.216 299 L C -0.081 176.738 176.870 -0.085 0.000 1.074 299 L CA 1.946 56.772 54.840 -0.022 0.000 0.763 299 L CB -2.068 39.956 42.059 -0.059 0.000 0.890 299 L HN 0.018 nan 8.230 nan 0.000 0.434 300 P HA -0.219 nan 4.420 nan 0.000 0.216 300 P C 1.536 178.448 177.300 -0.647 0.000 1.153 300 P CA 1.862 64.572 63.100 -0.650 0.000 0.858 300 P CB -0.149 30.817 31.700 -1.224 0.000 0.789 301 F N -1.793 118.035 119.950 -0.204 0.000 2.325 301 F HA -0.072 4.454 4.527 -0.001 0.000 0.299 301 F C 2.737 178.456 175.800 -0.136 0.000 1.090 301 F CA 0.699 58.574 58.000 -0.209 0.000 1.392 301 F CB -1.553 37.314 39.000 -0.223 0.000 1.053 301 F HN -0.118 nan 8.300 nan 0.000 0.521 302 Y N 1.043 121.287 120.300 -0.094 0.000 2.200 302 Y HA -0.111 4.439 4.550 -0.002 0.000 0.290 302 Y C 2.316 178.143 175.900 -0.123 0.000 1.137 302 Y CA 1.010 59.043 58.100 -0.111 0.000 1.163 302 Y CB -0.747 37.649 38.460 -0.106 0.000 0.988 302 Y HN -0.032 nan 8.280 nan 0.000 0.518 303 A N 0.854 123.551 122.820 -0.204 0.000 1.877 303 A HA -0.179 4.140 4.320 -0.001 0.000 0.216 303 A C 2.342 179.765 177.584 -0.269 0.000 1.186 303 A CA 2.071 53.919 52.037 -0.315 0.000 0.620 303 A CB -1.197 17.666 19.000 -0.228 0.000 0.822 303 A HN 0.584 nan 8.150 nan 0.000 0.443 304 I N -0.745 119.716 120.570 -0.182 0.000 2.163 304 I HA -0.272 3.897 4.170 -0.001 0.000 0.243 304 I C 2.547 178.704 176.117 0.067 0.000 1.085 304 I CA 1.613 62.894 61.300 -0.031 0.000 1.347 304 I CB -0.341 37.674 38.000 0.024 0.000 1.044 304 I HN 0.463 nan 8.210 nan 0.000 0.408 305 L N 1.642 122.865 121.223 0.000 0.000 1.989 305 L HA -0.234 4.105 4.340 -0.001 0.000 0.211 305 L C 2.758 179.614 176.870 -0.024 0.000 1.071 305 L CA 1.788 56.653 54.840 0.042 0.000 0.749 305 L CB -0.329 41.710 42.059 -0.034 0.000 0.890 305 L HN 0.223 nan 8.230 nan 0.000 0.431 306 R N -0.356 119.993 120.500 -0.252 0.000 2.323 306 R HA 0.118 4.457 4.340 -0.001 0.000 0.198 306 R C 1.743 177.882 176.300 -0.267 0.000 0.988 306 R CA 0.738 56.681 56.100 -0.261 0.000 1.041 306 R CB -0.534 29.519 30.300 -0.412 0.000 0.926 306 R HN 0.358 nan 8.270 nan 0.000 0.476 307 A N 1.263 123.874 122.820 -0.348 0.000 2.014 307 A HA 0.032 4.351 4.320 -0.001 0.000 0.218 307 A C 0.301 177.498 177.584 -0.645 0.000 1.163 307 A CA 0.375 52.080 52.037 -0.552 0.000 0.652 307 A CB -0.275 18.276 19.000 -0.749 0.000 0.808 307 A HN 0.309 nan 8.150 nan 0.000 0.449 308 F N 2.062 121.950 119.950 -0.104 0.000 2.567 308 F HA 0.272 4.798 4.527 -0.001 0.000 0.352 308 F C 1.262 176.986 175.800 -0.127 0.000 1.229 308 F CA -0.071 57.856 58.000 -0.122 0.000 1.228 308 F CB -0.228 38.780 39.000 0.013 0.000 1.568 308 F HN 0.117 nan 8.300 nan 0.000 0.634 309 T N -1.838 112.676 114.554 -0.067 0.000 2.849 309 T HA 0.564 4.913 4.350 -0.001 0.000 0.276 309 T C 1.475 176.145 174.700 -0.050 0.000 0.971 309 T CA -0.314 61.753 62.100 -0.055 0.000 0.949 309 T CB 1.465 70.276 68.868 -0.095 0.000 1.093 309 T HN 0.375 nan 8.240 nan 0.000 0.545 310 A N 0.161 122.965 122.820 -0.028 0.000 2.024 310 A HA -0.059 4.260 4.320 -0.001 0.000 0.220 310 A C 1.816 179.389 177.584 -0.018 0.000 1.164 310 A CA 1.552 53.580 52.037 -0.015 0.000 0.643 310 A CB -0.968 18.035 19.000 0.005 0.000 0.806 310 A HN 0.844 nan 8.150 nan 0.000 0.451 311 D N -0.635 119.743 120.400 -0.037 0.000 2.355 311 D HA 0.103 4.742 4.640 -0.001 0.000 0.218 311 D C 0.334 176.605 176.300 -0.048 0.000 1.004 311 D CA 0.192 54.181 54.000 -0.019 0.000 0.880 311 D CB -0.040 40.740 40.800 -0.033 0.000 0.911 311 D HN 0.180 nan 8.370 nan 0.000 0.528 312 V N 1.652 121.494 119.914 -0.121 0.000 2.572 312 V HA -0.074 4.046 4.120 -0.001 0.000 0.291 312 V C 1.172 177.262 176.094 -0.007 0.000 1.039 312 V CA -0.539 61.647 62.300 -0.190 0.000 1.055 312 V CB 1.056 32.758 31.823 -0.201 0.000 0.969 312 V HN 0.182 nan 8.190 nan 0.000 0.482 313 W N 3.154 124.396 121.300 -0.096 0.000 2.338 313 W HA -0.104 4.555 4.660 -0.001 0.000 0.304 313 W C 1.964 178.432 176.519 -0.084 0.000 1.212 313 W CA 1.053 58.358 57.345 -0.068 0.000 1.264 313 W CB -1.282 28.164 29.460 -0.024 0.000 1.142 313 W HN 0.500 nan 8.180 nan 0.000 0.512 314 V N -0.133 119.852 119.914 0.118 0.000 2.515 314 V HA -0.256 3.863 4.120 -0.001 0.000 0.250 314 V C 2.149 178.128 176.094 -0.192 0.000 1.058 314 V CA 1.407 63.718 62.300 0.018 0.000 1.064 314 V CB -1.484 30.367 31.823 0.048 0.000 0.675 314 V HN -0.027 nan 8.190 nan 0.000 0.461 315 V N -0.321 119.338 119.914 -0.425 0.000 2.358 315 V HA -0.301 3.818 4.120 -0.001 0.000 0.246 315 V C 2.520 178.529 176.094 -0.142 0.000 1.047 315 V CA 2.028 63.989 62.300 -0.563 0.000 1.035 315 V CB -0.641 30.872 31.823 -0.517 0.000 0.658 315 V HN 0.529 nan 8.190 nan 0.000 0.452 316 Q N -0.588 119.189 119.800 -0.038 0.000 2.084 316 Q HA -0.142 4.197 4.340 -0.001 0.000 0.202 316 Q C 2.203 178.243 176.000 0.065 0.000 0.978 316 Q CA 1.746 57.566 55.803 0.029 0.000 0.844 316 Q CB -0.209 28.553 28.738 0.041 0.000 0.898 316 Q HN 0.595 nan 8.270 nan 0.000 0.426 317 I N 0.314 120.924 120.570 0.067 0.000 2.076 317 I HA -0.339 3.830 4.170 -0.001 0.000 0.237 317 I C 2.400 178.604 176.117 0.145 0.000 1.059 317 I CA 1.166 62.532 61.300 0.110 0.000 1.317 317 I CB -0.506 37.553 38.000 0.098 0.000 1.037 317 I HN 0.203 nan 8.210 nan 0.000 0.398 318 A N 0.715 123.608 122.820 0.122 0.000 1.892 318 A HA -0.332 3.987 4.320 -0.001 0.000 0.218 318 A C 2.039 179.697 177.584 0.124 0.000 1.188 318 A CA 2.662 54.786 52.037 0.144 0.000 0.631 318 A CB -1.147 18.014 19.000 0.268 0.000 0.822 318 A HN 0.552 nan 8.150 nan 0.000 0.447 319 N N -1.701 117.070 118.700 0.119 0.000 2.289 319 N HA -0.145 4.594 4.740 -0.001 0.000 0.184 319 N C 1.297 176.869 175.510 0.103 0.000 1.016 319 N CA 1.673 54.791 53.050 0.114 0.000 0.872 319 N CB -0.319 38.227 38.487 0.099 0.000 0.973 319 N HN 0.461 nan 8.380 nan 0.000 0.433 320 F N 0.772 120.692 119.950 -0.049 0.000 2.118 320 F HA 0.180 4.706 4.527 -0.001 0.000 0.293 320 F C 1.846 177.510 175.800 -0.227 0.000 1.102 320 F CA 0.942 58.867 58.000 -0.125 0.000 1.247 320 F CB -0.445 38.490 39.000 -0.109 0.000 1.017 320 F HN 0.006 nan 8.300 nan 0.000 0.475 321 I N 0.421 120.832 120.570 -0.264 0.000 2.194 321 I HA -0.335 3.834 4.170 -0.001 0.000 0.246 321 I C 2.316 178.239 176.117 -0.324 0.000 1.093 321 I CA 1.762 62.849 61.300 -0.355 0.000 1.355 321 I CB -0.911 37.043 38.000 -0.076 0.000 1.046 321 I HN 0.310 nan 8.210 nan 0.000 0.413 322 S N -0.162 115.471 115.700 -0.111 0.000 2.603 322 S HA -0.010 4.459 4.470 -0.001 0.000 0.220 322 S C 0.822 175.569 174.600 0.245 0.000 0.967 322 S CA -0.264 57.998 58.200 0.103 0.000 0.920 322 S CB -0.634 62.641 63.200 0.125 0.000 0.773 322 S HN 0.441 nan 8.310 nan 0.000 0.529 323 F N 0.924 120.810 119.950 -0.106 0.000 3.058 323 F HA -0.116 4.410 4.527 -0.001 0.000 0.295 323 F C 1.404 177.195 175.800 -0.016 0.000 0.875 323 F CA 0.594 58.542 58.000 -0.086 0.000 1.150 323 F CB -1.945 37.008 39.000 -0.079 0.000 1.175 323 F HN 0.525 nan 8.300 nan 0.000 0.599 324 G N -0.808 108.053 108.800 0.102 0.000 2.179 324 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.260 324 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.260 324 G C 0.960 175.929 174.900 0.114 0.000 0.977 324 G CA 0.318 45.483 45.100 0.107 0.000 0.641 324 G HN 0.553 nan 8.290 nan 0.000 0.533 325 I N 0.383 121.033 120.570 0.133 0.000 2.406 325 I HA 0.183 4.352 4.170 -0.001 0.000 0.249 325 I C 1.452 177.677 176.117 0.179 0.000 1.122 325 I CA 0.869 62.240 61.300 0.118 0.000 1.431 325 I CB 0.038 38.104 38.000 0.110 0.000 1.087 325 I HN 0.190 nan 8.210 nan 0.000 0.424 326 I N 2.562 123.266 120.570 0.224 0.000 2.268 326 I HA 0.057 4.227 4.170 -0.001 0.000 0.290 326 I C -0.376 175.889 176.117 0.246 0.000 1.125 326 I CA -0.638 60.848 61.300 0.311 0.000 1.236 326 I CB -0.435 37.719 38.000 0.257 0.000 1.469 326 I HN 0.189 nan 8.210 nan 0.000 0.512 327 D N 4.470 125.011 120.400 0.235 0.000 2.478 327 D HA 0.274 4.914 4.640 -0.001 0.000 0.274 327 D C 1.274 177.691 176.300 0.193 0.000 1.234 327 D CA -0.626 53.475 54.000 0.169 0.000 1.069 327 D CB 0.782 41.660 40.800 0.129 0.000 1.113 327 D HN 0.270 nan 8.370 nan 0.000 0.571 328 A N -0.567 122.328 122.820 0.125 0.000 1.940 328 A HA -0.223 4.096 4.320 -0.001 0.000 0.219 328 A C 1.998 179.694 177.584 0.188 0.000 1.176 328 A CA 2.028 54.140 52.037 0.125 0.000 0.631 328 A CB -0.863 18.175 19.000 0.063 0.000 0.814 328 A HN 0.627 nan 8.150 nan 0.000 0.446 329 K N -1.491 119.010 120.400 0.170 0.000 1.987 329 K HA -0.207 4.113 4.320 -0.001 0.000 0.216 329 K C 1.811 178.558 176.600 0.245 0.000 1.051 329 K CA 1.990 58.382 56.287 0.175 0.000 0.942 329 K CB -0.401 32.189 32.500 0.149 0.000 0.722 329 K HN 0.388 nan 8.250 nan 0.000 0.444 330 F N 0.803 120.800 119.950 0.079 0.000 2.234 330 F HA -0.116 4.410 4.527 -0.001 0.000 0.299 330 F C 1.883 177.709 175.800 0.044 0.000 1.087 330 F CA 0.679 58.708 58.000 0.048 0.000 1.340 330 F CB -0.552 38.469 39.000 0.035 0.000 1.031 330 F HN 0.078 nan 8.300 nan 0.000 0.500 331 F N 0.608 120.501 119.950 -0.095 0.000 2.134 331 F HA 0.010 4.536 4.527 -0.002 0.000 0.299 331 F C 2.444 178.075 175.800 -0.283 0.000 1.097 331 F CA 1.806 59.639 58.000 -0.278 0.000 1.264 331 F CB -1.025 37.851 39.000 -0.206 0.000 1.001 331 F HN -0.037 nan 8.300 nan 0.000 0.479 332 G N -0.292 108.622 108.800 0.190 0.000 2.422 332 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.218 332 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.218 332 G C 1.748 176.666 174.900 0.030 0.000 1.146 332 G CA 1.150 46.360 45.100 0.184 0.000 0.769 332 G HN 0.332 nan 8.290 nan 0.000 0.547 333 V N 0.786 120.705 119.914 0.008 0.000 2.358 333 V HA -0.095 4.024 4.120 -0.001 0.000 0.246 333 V C 2.893 178.975 176.094 -0.021 0.000 1.047 333 V CA 1.357 63.681 62.300 0.039 0.000 1.035 333 V CB -0.368 31.540 31.823 0.142 0.000 0.658 333 V HN 0.332 nan 8.190 nan 0.000 0.452 334 L N -0.027 121.003 121.223 -0.323 0.000 2.056 334 L HA -0.116 4.223 4.340 -0.001 0.000 0.207 334 L C 2.728 179.426 176.870 -0.286 0.000 1.078 334 L CA 1.456 56.049 54.840 -0.411 0.000 0.749 334 L CB -0.758 40.828 42.059 -0.789 0.000 0.901 334 L HN 0.347 nan 8.230 nan 0.000 0.433 335 A N -0.308 122.278 122.820 -0.391 0.000 1.877 335 A HA -0.282 4.038 4.320 -0.001 0.000 0.216 335 A C 2.339 180.025 177.584 0.169 0.000 1.186 335 A CA 2.040 53.953 52.037 -0.206 0.000 0.620 335 A CB -0.531 18.289 19.000 -0.300 0.000 0.822 335 A HN 0.414 nan 8.150 nan 0.000 0.443 336 M N -1.863 117.772 119.600 0.058 0.000 2.077 336 M HA -0.096 4.383 4.480 -0.001 0.000 0.261 336 M C 1.850 178.096 176.300 -0.090 0.000 1.070 336 M CA 1.906 57.203 55.300 -0.005 0.000 1.125 336 M CB -0.202 32.297 32.600 -0.169 0.000 1.339 336 M HN 0.372 nan 8.290 nan 0.000 0.409 337 F N 0.001 119.936 119.950 -0.026 0.000 2.234 337 F HA 0.020 4.546 4.527 -0.001 0.000 0.299 337 F C 2.462 178.279 175.800 0.027 0.000 1.087 337 F CA 1.452 59.424 58.000 -0.048 0.000 1.340 337 F CB -1.123 37.817 39.000 -0.100 0.000 1.031 337 F HN 0.260 nan 8.300 nan 0.000 0.500 338 G N -0.490 108.444 108.800 0.222 0.000 2.422 338 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.218 338 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.218 338 G C 1.904 177.023 174.900 0.366 0.000 1.146 338 G CA 0.736 46.000 45.100 0.272 0.000 0.769 338 G HN 0.427 nan 8.290 nan 0.000 0.547 339 A N 0.571 123.589 122.820 0.330 0.000 1.972 339 A HA 0.074 4.393 4.320 -0.001 0.000 0.219 339 A C 2.353 180.089 177.584 0.255 0.000 1.169 339 A CA 1.194 53.283 52.037 0.086 0.000 0.635 339 A CB -0.267 18.657 19.000 -0.126 0.000 0.810 339 A HN 0.401 nan 8.150 nan 0.000 0.446 340 I N -1.110 119.583 120.570 0.204 0.000 2.333 340 I HA -0.139 4.030 4.170 -0.001 0.000 0.246 340 I C 2.321 178.513 176.117 0.125 0.000 1.106 340 I CA 0.779 62.182 61.300 0.172 0.000 1.411 340 I CB -0.213 37.812 38.000 0.042 0.000 1.082 340 I HN 0.372 nan 8.210 nan 0.000 0.420 341 L N 1.167 122.467 121.223 0.129 0.000 2.083 341 L HA -0.141 4.198 4.340 -0.001 0.000 0.209 341 L C 2.487 179.390 176.870 0.056 0.000 1.083 341 L CA 1.878 56.779 54.840 0.103 0.000 0.752 341 L CB -0.527 41.597 42.059 0.108 0.000 0.899 341 L HN 0.244 nan 8.230 nan 0.000 0.433 342 V N -2.724 117.197 119.914 0.011 0.000 2.515 342 V HA -0.244 3.875 4.120 -0.001 0.000 0.250 342 V C 2.400 178.236 176.094 -0.431 0.000 1.058 342 V CA 1.861 64.091 62.300 -0.118 0.000 1.064 342 V CB -1.054 30.723 31.823 -0.076 0.000 0.675 342 V HN 0.615 nan 8.190 nan 0.000 0.461 343 M N 0.948 120.233 119.600 -0.524 0.000 2.229 343 M HA 0.056 4.535 4.480 -0.001 0.000 0.264 343 M C 2.167 178.509 176.300 0.071 0.000 1.063 343 M CA 1.858 56.831 55.300 -0.546 0.000 1.114 343 M CB -0.284 32.198 32.600 -0.197 0.000 1.387 343 M HN 0.447 nan 8.290 nan 0.000 0.420 344 A N 0.267 123.179 122.820 0.152 0.000 1.968 344 A HA -0.027 4.292 4.320 -0.001 0.000 0.217 344 A C 1.834 179.698 177.584 0.466 0.000 1.169 344 A CA 1.056 53.309 52.037 0.359 0.000 0.638 344 A CB -0.728 18.393 19.000 0.201 0.000 0.812 344 A HN 0.589 nan 8.150 nan 0.000 0.446 345 L N -0.703 120.691 121.223 0.284 0.000 2.591 345 L HA 0.030 4.369 4.340 -0.001 0.000 0.228 345 L C 2.133 179.194 176.870 0.319 0.000 1.133 345 L CA 0.019 55.096 54.840 0.395 0.000 0.880 345 L CB -0.138 42.058 42.059 0.229 0.000 1.033 345 L HN 0.252 nan 8.230 nan 0.000 0.450 346 V N 1.924 121.873 119.914 0.058 0.000 2.439 346 V HA -0.214 3.905 4.120 -0.001 0.000 0.253 346 V C -0.307 175.630 176.094 -0.261 0.000 1.074 346 V CA 2.072 64.280 62.300 -0.153 0.000 1.076 346 V CB -0.562 30.979 31.823 -0.471 0.000 0.664 346 V HN 0.319 nan 8.190 nan 0.000 0.461 347 P HA -0.125 nan 4.420 nan 0.000 0.218 347 P C 1.166 178.152 177.300 -0.523 0.000 1.149 347 P CA 1.616 64.419 63.100 -0.495 0.000 0.817 347 P CB -0.134 30.909 31.700 -1.096 0.000 0.785 348 W N -1.792 119.524 121.300 0.027 0.000 3.278 348 W HA 0.310 4.970 4.660 -0.001 0.000 0.308 348 W C 1.206 177.736 176.519 0.018 0.000 1.253 348 W CA 0.157 57.518 57.345 0.027 0.000 1.759 348 W CB -0.106 29.372 29.460 0.030 0.000 1.093 348 W HN 0.013 nan 8.180 nan 0.000 0.648 349 L N -0.673 120.649 121.223 0.165 0.000 2.470 349 L HA 0.116 4.455 4.340 -0.001 0.000 0.219 349 L C 0.726 177.614 176.870 0.029 0.000 1.071 349 L CA 0.454 55.355 54.840 0.102 0.000 0.850 349 L CB -0.141 41.987 42.059 0.114 0.000 1.040 349 L HN -0.340 nan 8.230 nan 0.000 0.475 350 D N 0.867 121.280 120.400 0.022 0.000 2.374 350 D HA 0.021 4.660 4.640 -0.001 0.000 0.240 350 D C 1.094 177.387 176.300 -0.010 0.000 1.229 350 D CA 0.106 54.115 54.000 0.016 0.000 0.895 350 D CB 1.373 42.245 40.800 0.119 0.000 1.046 350 D HN 0.116 nan 8.370 nan 0.000 0.498 351 T N 0.018 114.561 114.554 -0.018 0.000 3.100 351 T HA 0.016 4.365 4.350 -0.001 0.000 0.253 351 T C 1.131 175.808 174.700 -0.039 0.000 1.118 351 T CA -0.347 61.740 62.100 -0.022 0.000 1.058 351 T CB 0.068 68.931 68.868 -0.009 0.000 0.953 351 T HN 0.212 nan 8.240 nan 0.000 0.515 352 S N 3.205 118.875 115.700 -0.050 0.000 2.549 352 S HA 0.216 4.685 4.470 -0.001 0.000 0.283 352 S C -1.169 173.373 174.600 -0.096 0.000 1.320 352 S CA -1.236 56.924 58.200 -0.068 0.000 1.058 352 S CB 0.957 64.106 63.200 -0.085 0.000 0.882 352 S HN 0.222 nan 8.310 nan 0.000 0.498 353 P HA 0.120 nan 4.420 nan 0.000 0.251 353 P C -0.208 177.028 177.300 -0.107 0.000 1.223 353 P CA 0.064 63.110 63.100 -0.091 0.000 0.796 353 P CB 0.051 31.713 31.700 -0.063 0.000 1.068 354 V N 2.240 122.084 119.914 -0.116 0.000 2.427 354 V HA 0.150 4.269 4.120 -0.001 0.000 0.268 354 V C 2.157 178.137 176.094 -0.190 0.000 1.046 354 V CA -0.028 62.202 62.300 -0.117 0.000 0.970 354 V CB 0.785 32.551 31.823 -0.094 0.000 1.001 354 V HN 0.031 nan 8.190 nan 0.000 0.476 355 R N 2.752 123.155 120.500 -0.162 0.000 2.064 355 R HA -0.059 4.280 4.340 -0.001 0.000 0.228 355 R C 1.346 177.476 176.300 -0.283 0.000 1.144 355 R CA 1.342 57.307 56.100 -0.225 0.000 0.932 355 R CB -0.045 30.168 30.300 -0.146 0.000 0.833 355 R HN 0.646 nan 8.270 nan 0.000 0.429 356 S N -0.636 114.963 115.700 -0.168 0.000 2.499 356 S HA 0.174 4.643 4.470 -0.001 0.000 0.275 356 S C 0.845 175.131 174.600 -0.525 0.000 1.257 356 S CA -0.336 57.711 58.200 -0.256 0.000 1.050 356 S CB 1.605 64.767 63.200 -0.063 0.000 0.937 356 S HN 0.443 nan 8.310 nan 0.000 0.490 357 G N 3.963 112.207 108.800 -0.925 0.000 2.882 357 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.206 357 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.206 357 G C 1.247 175.674 174.900 -0.789 0.000 1.155 357 G CA 0.023 44.443 45.100 -1.134 0.000 0.800 357 G HN 0.793 nan 8.290 nan 0.000 0.524 358 R N -0.536 119.533 120.500 -0.718 0.000 2.148 358 R HA -0.010 4.329 4.340 -0.001 0.000 0.223 358 R C 0.464 176.444 176.300 -0.534 0.000 1.088 358 R CA 0.709 56.483 56.100 -0.543 0.000 0.985 358 R CB -0.071 29.817 30.300 -0.687 0.000 0.880 358 R HN 0.404 nan 8.270 nan 0.000 0.451 359 Y N 0.197 120.446 120.300 -0.086 0.000 2.751 359 Y HA 0.397 4.945 4.550 -0.002 0.000 0.289 359 Y C -0.495 175.366 175.900 -0.066 0.000 1.110 359 Y CA -0.513 57.556 58.100 -0.051 0.000 1.251 359 Y CB 0.459 38.886 38.460 -0.054 0.000 1.178 359 Y HN -0.190 nan 8.280 nan 0.000 0.540 360 R N 0.264 120.762 120.500 -0.002 0.000 2.487 360 R HA 0.265 4.604 4.340 -0.001 0.000 0.288 360 R C -2.420 173.960 176.300 0.133 0.000 1.394 360 R CA -1.513 54.608 56.100 0.034 0.000 1.155 360 R CB 1.177 31.424 30.300 -0.089 0.000 1.156 360 R HN 0.016 nan 8.270 nan 0.000 0.553 361 P HA -0.154 nan 4.420 nan 0.000 0.215 361 P C 0.971 178.359 177.300 0.146 0.000 1.153 361 P CA 1.555 64.734 63.100 0.132 0.000 0.853 361 P CB 0.283 32.044 31.700 0.100 0.000 0.788 362 M N -3.185 116.516 119.600 0.168 0.000 2.248 362 M HA -0.020 4.459 4.480 -0.001 0.000 0.265 362 M C 1.994 178.443 176.300 0.248 0.000 1.079 362 M CA 1.237 56.643 55.300 0.176 0.000 1.150 362 M CB -0.705 32.031 32.600 0.228 0.000 1.366 362 M HN -0.147 nan 8.290 nan 0.000 0.433 363 F N 1.896 121.940 119.950 0.156 0.000 2.065 363 F HA -0.274 4.252 4.527 -0.002 0.000 0.298 363 F C 2.182 178.111 175.800 0.214 0.000 1.112 363 F CA 1.862 59.971 58.000 0.182 0.000 1.212 363 F CB -0.257 38.764 39.000 0.035 0.000 0.975 363 F HN -0.063 nan 8.300 nan 0.000 0.476 364 K N -0.019 120.632 120.400 0.419 0.000 2.189 364 K HA -0.234 4.085 4.320 -0.001 0.000 0.207 364 K C 1.962 178.792 176.600 0.383 0.000 1.046 364 K CA 1.680 58.223 56.287 0.428 0.000 0.928 364 K CB -0.374 32.367 32.500 0.402 0.000 0.720 364 K HN 0.334 nan 8.250 nan 0.000 0.458 365 I N -0.148 120.503 120.570 0.135 0.000 2.193 365 I HA -0.217 3.952 4.170 -0.001 0.000 0.240 365 I C 2.131 178.192 176.117 -0.094 0.000 1.084 365 I CA 1.526 62.807 61.300 -0.033 0.000 1.365 365 I CB -1.222 36.588 38.000 -0.318 0.000 1.064 365 I HN 0.091 nan 8.210 nan 0.000 0.410 366 Y N 0.189 120.565 120.300 0.126 0.000 2.242 366 Y HA -0.243 4.306 4.550 -0.001 0.000 0.291 366 Y C 2.521 178.484 175.900 0.105 0.000 1.137 366 Y CA 1.130 59.340 58.100 0.183 0.000 1.181 366 Y CB -1.114 37.425 38.460 0.132 0.000 0.989 366 Y HN 0.071 nan 8.280 nan 0.000 0.527 367 F N -0.901 118.981 119.950 -0.112 0.000 2.069 367 F HA -0.254 4.273 4.527 -0.001 0.000 0.298 367 F C 1.699 177.313 175.800 -0.310 0.000 1.113 367 F CA 1.585 59.369 58.000 -0.361 0.000 1.214 367 F CB -0.737 37.949 39.000 -0.524 0.000 0.978 367 F HN 0.011 nan 8.300 nan 0.000 0.474 368 W N 0.530 121.848 121.300 0.029 0.000 2.421 368 W HA -0.085 4.574 4.660 -0.001 0.000 0.270 368 W C 2.182 178.579 176.519 -0.203 0.000 1.233 368 W CA 0.699 57.990 57.345 -0.090 0.000 1.226 368 W CB -0.396 29.100 29.460 0.060 0.000 1.121 368 W HN 0.084 nan 8.180 nan 0.000 0.579 369 L N -0.766 120.444 121.223 -0.021 0.000 2.109 369 L HA -0.166 4.173 4.340 -0.001 0.000 0.207 369 L C 2.346 179.091 176.870 -0.208 0.000 1.086 369 L CA 0.548 55.276 54.840 -0.186 0.000 0.760 369 L CB -0.763 41.094 42.059 -0.336 0.000 0.910 369 L HN 0.024 nan 8.230 nan 0.000 0.437 370 L N 0.110 121.235 121.223 -0.163 0.000 2.017 370 L HA -0.149 4.190 4.340 -0.001 0.000 0.208 370 L C 2.635 179.429 176.870 -0.127 0.000 1.073 370 L CA 2.016 56.742 54.840 -0.190 0.000 0.745 370 L CB -0.648 40.883 42.059 -0.881 0.000 0.894 370 L HN 0.148 nan 8.230 nan 0.000 0.432 371 A N -0.418 122.157 122.820 -0.409 0.000 1.865 371 A HA -0.165 4.154 4.320 -0.001 0.000 0.217 371 A C 2.454 179.941 177.584 -0.161 0.000 1.191 371 A CA 2.076 53.817 52.037 -0.494 0.000 0.623 371 A CB -1.313 17.318 19.000 -0.615 0.000 0.826 371 A HN 0.575 nan 8.150 nan 0.000 0.444 372 A N -0.408 122.369 122.820 -0.073 0.000 1.933 372 A HA -0.194 4.125 4.320 -0.001 0.000 0.218 372 A C 1.844 179.430 177.584 0.003 0.000 1.175 372 A CA 2.189 54.208 52.037 -0.029 0.000 0.628 372 A CB -0.690 18.283 19.000 -0.045 0.000 0.814 372 A HN 0.531 nan 8.150 nan 0.000 0.444 373 D N -1.323 119.099 120.400 0.037 0.000 2.117 373 D HA -0.169 4.470 4.640 -0.001 0.000 0.197 373 D C 1.601 178.009 176.300 0.179 0.000 0.987 373 D CA 1.321 55.400 54.000 0.131 0.000 0.829 373 D CB -0.295 40.672 40.800 0.278 0.000 0.961 373 D HN 0.362 nan 8.370 nan 0.000 0.460 374 F N 0.386 120.392 119.950 0.094 0.000 2.095 374 F HA -0.188 4.338 4.527 -0.002 0.000 0.298 374 F C 2.215 177.981 175.800 -0.057 0.000 1.104 374 F CA 1.147 59.162 58.000 0.025 0.000 1.232 374 F CB -0.402 38.648 39.000 0.084 0.000 0.987 374 F HN -0.116 nan 8.300 nan 0.000 0.475 375 V N 0.572 120.521 119.914 0.059 0.000 2.343 375 V HA -0.307 3.812 4.120 -0.001 0.000 0.247 375 V C 2.393 178.493 176.094 0.010 0.000 1.051 375 V CA 2.064 64.363 62.300 -0.001 0.000 1.036 375 V CB -0.629 31.202 31.823 0.014 0.000 0.654 375 V HN 0.350 nan 8.190 nan 0.000 0.451 376 I N -0.573 120.015 120.570 0.030 0.000 2.179 376 I HA -0.251 3.919 4.170 -0.001 0.000 0.242 376 I C 2.362 178.559 176.117 0.134 0.000 1.088 376 I CA 1.545 62.919 61.300 0.124 0.000 1.357 376 I CB -0.334 37.716 38.000 0.083 0.000 1.051 376 I HN 0.238 nan 8.210 nan 0.000 0.409 377 L N 0.035 121.235 121.223 -0.038 0.000 2.012 377 L HA -0.250 4.089 4.340 -0.001 0.000 0.210 377 L C 2.662 179.412 176.870 -0.200 0.000 1.073 377 L CA 1.735 56.479 54.840 -0.159 0.000 0.748 377 L CB -0.877 40.982 42.059 -0.334 0.000 0.891 377 L HN 0.278 nan 8.230 nan 0.000 0.431 378 T N -1.480 112.916 114.554 -0.263 0.000 2.684 378 T HA -0.274 4.075 4.350 -0.001 0.000 0.267 378 T C 1.308 175.977 174.700 -0.051 0.000 1.036 378 T CA 1.780 63.761 62.100 -0.199 0.000 1.148 378 T CB -0.428 68.322 68.868 -0.196 0.000 0.863 378 T HN 0.550 nan 8.240 nan 0.000 0.436 379 W N 2.453 123.671 121.300 -0.136 0.000 2.358 379 W HA -0.162 4.497 4.660 -0.001 0.000 0.303 379 W C 2.097 178.548 176.519 -0.113 0.000 1.208 379 W CA 1.196 58.478 57.345 -0.104 0.000 1.274 379 W CB -0.461 28.949 29.460 -0.083 0.000 1.138 379 W HN 0.120 nan 8.180 nan 0.000 0.515 380 V N 0.115 119.855 119.914 -0.290 0.000 2.548 380 V HA -0.008 4.111 4.120 -0.001 0.000 0.249 380 V C 2.242 178.072 176.094 -0.441 0.000 1.055 380 V CA 1.854 63.809 62.300 -0.575 0.000 1.065 380 V CB -2.006 29.698 31.823 -0.199 0.000 0.681 380 V HN 0.310 nan 8.190 nan 0.000 0.462 381 G N 0.422 109.077 108.800 -0.241 0.000 2.475 381 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.220 381 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.220 381 G C 1.493 176.371 174.900 -0.037 0.000 1.125 381 G CA 1.056 46.133 45.100 -0.037 0.000 0.755 381 G HN 0.851 nan 8.290 nan 0.000 0.565 382 A N -1.008 121.662 122.820 -0.251 0.000 2.251 382 A HA 0.328 4.648 4.320 -0.001 0.000 0.209 382 A C 1.360 178.711 177.584 -0.388 0.000 1.187 382 A CA 0.293 52.171 52.037 -0.264 0.000 0.823 382 A CB 0.061 18.899 19.000 -0.270 0.000 0.846 382 A HN 0.321 nan 8.150 nan 0.000 0.486 383 Q N 0.084 119.536 119.800 -0.579 0.000 2.169 383 Q HA 0.373 4.712 4.340 -0.001 0.000 0.234 383 Q C -0.237 175.487 176.000 -0.460 0.000 0.980 383 Q CA -0.263 55.084 55.803 -0.761 0.000 0.941 383 Q CB 0.350 28.207 28.738 -1.468 0.000 1.199 383 Q HN 0.599 nan 8.270 nan 0.000 0.496 384 Q N -0.177 119.382 119.800 -0.401 0.000 2.407 384 Q HA 0.177 4.516 4.340 -0.001 0.000 0.214 384 Q C 0.916 176.886 176.000 -0.050 0.000 1.043 384 Q CA 0.151 55.879 55.803 -0.125 0.000 0.983 384 Q CB 0.363 29.099 28.738 -0.002 0.000 1.211 384 Q HN 0.712 nan 8.270 nan 0.000 0.564 385 T N -3.693 110.858 114.554 -0.006 0.000 3.129 385 T HA -0.010 4.339 4.350 -0.001 0.000 0.251 385 T C 0.923 175.654 174.700 0.053 0.000 1.117 385 T CA 0.206 62.300 62.100 -0.011 0.000 1.034 385 T CB -0.480 68.357 68.868 -0.052 0.000 0.968 385 T HN 0.716 nan 8.240 nan 0.000 0.526 386 T N 0.358 114.991 114.554 0.132 0.000 2.766 386 T HA 0.411 4.760 4.350 -0.001 0.000 0.295 386 T C -0.060 174.726 174.700 0.144 0.000 1.024 386 T CA -0.950 61.241 62.100 0.152 0.000 1.018 386 T CB 0.155 69.125 68.868 0.170 0.000 1.002 386 T HN 0.196 nan 8.240 nan 0.000 0.532 387 F N 3.308 123.269 119.950 0.018 0.000 2.518 387 F HA 0.341 4.867 4.527 -0.001 0.000 0.359 387 F C -1.243 174.430 175.800 -0.211 0.000 1.118 387 F CA -1.997 55.996 58.000 -0.013 0.000 1.287 387 F CB 0.781 39.801 39.000 0.034 0.000 1.132 387 F HN 0.425 nan 8.300 nan 0.000 0.587 388 P HA -0.011 nan 4.420 nan 0.000 0.267 388 P C 0.730 177.666 177.300 -0.607 0.000 1.289 388 P CA 0.577 62.829 63.100 -1.414 0.000 0.866 388 P CB -0.048 30.843 31.700 -1.348 0.000 1.309 389 Y N 2.685 122.869 120.300 -0.194 0.000 2.207 389 Y HA -0.229 4.320 4.550 -0.002 0.000 0.287 389 Y C 2.309 178.112 175.900 -0.162 0.000 1.156 389 Y CA 1.712 59.726 58.100 -0.143 0.000 1.182 389 Y CB -1.631 36.726 38.460 -0.172 0.000 0.979 389 Y HN 0.111 nan 8.280 nan 0.000 0.521 390 D N -1.474 118.892 120.400 -0.057 0.000 2.149 390 D HA -0.257 4.382 4.640 -0.001 0.000 0.198 390 D C 1.760 177.878 176.300 -0.304 0.000 0.990 390 D CA 1.420 55.304 54.000 -0.193 0.000 0.839 390 D CB -1.141 39.534 40.800 -0.208 0.000 0.948 390 D HN 0.434 nan 8.370 nan 0.000 0.460 391 W N 0.671 121.836 121.300 -0.225 0.000 2.407 391 W HA 0.216 4.876 4.660 -0.001 0.000 0.305 391 W C 2.578 179.005 176.519 -0.153 0.000 1.196 391 W CA 0.242 57.463 57.345 -0.207 0.000 1.311 391 W CB -0.275 29.030 29.460 -0.258 0.000 1.135 391 W HN -0.121 nan 8.180 nan 0.000 0.514 392 I N 0.359 120.983 120.570 0.089 0.000 2.208 392 I HA -0.387 3.782 4.170 -0.001 0.000 0.245 392 I C 2.643 178.789 176.117 0.049 0.000 1.097 392 I CA 1.885 63.242 61.300 0.095 0.000 1.363 392 I CB -0.901 37.198 38.000 0.165 0.000 1.051 392 I HN -0.031 nan 8.210 nan 0.000 0.413 393 S N 1.055 116.738 115.700 -0.030 0.000 2.382 393 S HA -0.148 4.321 4.470 -0.001 0.000 0.228 393 S C 2.036 176.550 174.600 -0.143 0.000 1.027 393 S CA 0.922 59.061 58.200 -0.102 0.000 0.991 393 S CB -0.832 62.254 63.200 -0.190 0.000 0.823 393 S HN 0.410 nan 8.310 nan 0.000 0.469 394 L N 0.645 121.742 121.223 -0.210 0.000 2.056 394 L HA -0.009 4.330 4.340 -0.001 0.000 0.207 394 L C 2.618 179.477 176.870 -0.018 0.000 1.078 394 L CA 1.407 56.101 54.840 -0.243 0.000 0.749 394 L CB -0.488 41.339 42.059 -0.386 0.000 0.901 394 L HN 0.352 nan 8.230 nan 0.000 0.433 395 I N -0.419 120.189 120.570 0.065 0.000 2.202 395 I HA -0.265 3.904 4.170 -0.001 0.000 0.242 395 I C 2.787 179.023 176.117 0.199 0.000 1.091 395 I CA 1.139 62.532 61.300 0.154 0.000 1.368 395 I CB -0.499 37.596 38.000 0.158 0.000 1.058 395 I HN 0.186 nan 8.210 nan 0.000 0.410 396 A N 0.355 123.269 122.820 0.155 0.000 1.902 396 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 396 A C 2.495 180.246 177.584 0.279 0.000 1.181 396 A CA 2.267 54.424 52.037 0.199 0.000 0.623 396 A CB -0.728 18.340 19.000 0.113 0.000 0.818 396 A HN 0.406 nan 8.150 nan 0.000 0.443 397 S N 0.023 115.852 115.700 0.215 0.000 2.368 397 S HA -0.011 4.458 4.470 -0.001 0.000 0.224 397 S C 2.317 177.243 174.600 0.543 0.000 1.029 397 S CA 1.116 59.525 58.200 0.347 0.000 0.988 397 S CB -0.519 62.855 63.200 0.290 0.000 0.838 397 S HN 0.806 nan 8.310 nan 0.000 0.462 398 A N 0.834 123.903 122.820 0.414 0.000 1.883 398 A HA -0.162 4.158 4.320 -0.001 0.000 0.217 398 A C 1.981 179.797 177.584 0.387 0.000 1.186 398 A CA 1.744 54.023 52.037 0.402 0.000 0.624 398 A CB -1.104 18.067 19.000 0.285 0.000 0.822 398 A HN 0.559 nan 8.150 nan 0.000 0.444 399 Y N -1.053 119.416 120.300 0.281 0.000 2.224 399 Y HA -0.241 4.308 4.550 -0.001 0.000 0.289 399 Y C 2.284 178.340 175.900 0.260 0.000 1.146 399 Y CA 1.677 59.918 58.100 0.235 0.000 1.182 399 Y CB -0.302 38.269 38.460 0.185 0.000 0.983 399 Y HN 0.578 nan 8.280 nan 0.000 0.524 400 W N 0.083 121.468 121.300 0.140 0.000 2.355 400 W HA -0.296 4.363 4.660 -0.001 0.000 0.309 400 W C 1.454 177.991 176.519 0.031 0.000 1.206 400 W CA 2.073 59.446 57.345 0.047 0.000 1.284 400 W CB -0.958 28.495 29.460 -0.011 0.000 1.145 400 W HN 0.165 nan 8.180 nan 0.000 0.502 401 F N 0.864 121.027 119.950 0.354 0.000 2.325 401 F HA -0.046 4.480 4.527 -0.001 0.000 0.299 401 F C 2.678 178.524 175.800 0.075 0.000 1.090 401 F CA 1.744 59.897 58.000 0.256 0.000 1.392 401 F CB -1.213 37.936 39.000 0.249 0.000 1.053 401 F HN -0.120 nan 8.300 nan 0.000 0.521 402 A N -0.515 122.378 122.820 0.122 0.000 1.877 402 A HA -0.260 4.059 4.320 -0.001 0.000 0.216 402 A C 2.051 179.478 177.584 -0.262 0.000 1.186 402 A CA 1.551 53.546 52.037 -0.070 0.000 0.620 402 A CB -1.479 17.442 19.000 -0.131 0.000 0.822 402 A HN 0.467 nan 8.150 nan 0.000 0.443 403 Y N -0.406 119.512 120.300 -0.637 0.000 2.081 403 Y HA -0.300 4.249 4.550 -0.002 0.000 0.280 403 Y C 1.974 177.483 175.900 -0.651 0.000 1.163 403 Y CA 2.456 60.081 58.100 -0.793 0.000 1.135 403 Y CB -0.480 37.334 38.460 -1.077 0.000 0.970 403 Y HN 0.285 nan 8.280 nan 0.000 0.498 404 F N -0.712 119.089 119.950 -0.248 0.000 2.187 404 F HA -0.086 4.440 4.527 -0.001 0.000 0.295 404 F C 2.115 177.824 175.800 -0.152 0.000 1.091 404 F CA 1.172 59.038 58.000 -0.223 0.000 1.308 404 F CB -0.567 38.345 39.000 -0.147 0.000 1.030 404 F HN -0.022 nan 8.300 nan 0.000 0.487 405 L N -1.288 120.002 121.223 0.110 0.000 2.341 405 L HA -0.016 4.323 4.340 -0.001 0.000 0.214 405 L C 1.608 178.474 176.870 -0.006 0.000 1.115 405 L CA 0.299 55.188 54.840 0.081 0.000 0.820 405 L CB -0.210 41.938 42.059 0.149 0.000 0.944 405 L HN 0.014 nan 8.230 nan 0.000 0.452 406 V N -1.063 118.803 119.914 -0.080 0.000 3.097 406 V HA 0.028 4.148 4.120 -0.001 0.000 0.223 406 V C 2.026 177.995 176.094 -0.208 0.000 1.199 406 V CA 0.170 62.403 62.300 -0.111 0.000 1.260 406 V CB 0.211 31.982 31.823 -0.086 0.000 1.155 406 V HN 0.073 nan 8.190 nan 0.000 0.509 407 I N 0.542 120.908 120.570 -0.340 0.000 2.151 407 I HA -0.296 3.873 4.170 -0.001 0.000 0.243 407 I C 2.411 178.264 176.117 -0.440 0.000 1.080 407 I CA 1.861 62.867 61.300 -0.491 0.000 1.339 407 I CB -0.316 37.231 38.000 -0.754 0.000 1.039 407 I HN 0.266 nan 8.210 nan 0.000 0.409 408 L N 0.088 121.023 121.223 -0.481 0.000 2.056 408 L HA -0.104 4.235 4.340 -0.001 0.000 0.207 408 L C -0.186 176.589 176.870 -0.159 0.000 1.078 408 L CA 1.512 56.151 54.840 -0.336 0.000 0.749 408 L CB -1.788 40.044 42.059 -0.379 0.000 0.901 408 L HN 0.186 nan 8.230 nan 0.000 0.433 409 P HA -0.132 nan 4.420 nan 0.000 0.217 409 P C 1.810 179.075 177.300 -0.058 0.000 1.150 409 P CA 1.379 64.442 63.100 -0.062 0.000 0.832 409 P CB 0.177 31.854 31.700 -0.039 0.000 0.787 410 I N -1.402 119.117 120.570 -0.085 0.000 2.233 410 I HA -0.184 3.985 4.170 -0.001 0.000 0.243 410 I C 2.227 178.317 176.117 -0.045 0.000 1.093 410 I CA 1.060 62.322 61.300 -0.064 0.000 1.380 410 I CB -0.499 37.452 38.000 -0.082 0.000 1.067 410 I HN -0.142 nan 8.210 nan 0.000 0.413 411 L N 0.490 121.676 121.223 -0.061 0.000 2.189 411 L HA -0.225 4.114 4.340 -0.001 0.000 0.214 411 L C 2.488 179.364 176.870 0.011 0.000 1.097 411 L CA 1.491 56.331 54.840 -0.000 0.000 0.764 411 L CB -0.870 41.208 42.059 0.031 0.000 0.900 411 L HN 0.364 nan 8.230 nan 0.000 0.436 412 G N -0.904 107.889 108.800 -0.011 0.000 2.440 412 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.218 412 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.218 412 G C 1.566 176.462 174.900 -0.007 0.000 1.154 412 G CA 0.791 45.884 45.100 -0.012 0.000 0.767 412 G HN 0.516 nan 8.290 nan 0.000 0.552 413 A N -0.471 122.347 122.820 -0.004 0.000 2.147 413 A HA 0.451 4.770 4.320 -0.001 0.000 0.211 413 A C 2.113 179.702 177.584 0.008 0.000 1.160 413 A CA 0.318 52.356 52.037 0.000 0.000 0.781 413 A CB 0.061 19.060 19.000 -0.000 0.000 0.842 413 A HN 0.339 nan 8.150 nan 0.000 0.475 414 I N 0.281 120.859 120.570 0.013 0.000 3.854 414 I HA 0.021 4.190 4.170 -0.001 0.000 0.312 414 I C 0.677 176.817 176.117 0.038 0.000 1.273 414 I CA 0.032 61.347 61.300 0.025 0.000 1.298 414 I CB 0.195 38.211 38.000 0.026 0.000 1.071 414 I HN 0.450 nan 8.210 nan 0.000 0.428 415 E N 2.204 122.429 120.200 0.042 0.000 2.343 415 E HA 0.159 4.509 4.350 -0.001 0.000 0.269 415 E C -0.202 176.422 176.600 0.041 0.000 1.047 415 E CA -0.596 55.837 56.400 0.056 0.000 0.874 415 E CB 0.820 30.563 29.700 0.071 0.000 1.033 415 E HN -0.068 nan 8.360 nan 0.000 0.409 416 K N 3.896 124.325 120.400 0.048 0.000 2.229 416 K HA 0.207 4.526 4.320 -0.001 0.000 0.247 416 K C -2.153 174.471 176.600 0.040 0.000 1.117 416 K CA -1.828 54.481 56.287 0.037 0.000 1.036 416 K CB 0.803 33.326 32.500 0.039 0.000 1.654 416 K HN 0.563 nan 8.250 nan 0.000 0.405 417 P HA 0.025 nan 4.420 nan 0.000 0.266 417 P C 0.260 177.579 177.300 0.031 0.000 1.215 417 P CA -0.218 62.902 63.100 0.032 0.000 0.763 417 P CB 0.766 32.471 31.700 0.008 0.000 0.806 418 V N 3.226 123.179 119.914 0.064 0.000 3.096 418 V HA 0.219 4.339 4.120 -0.001 0.000 0.306 418 V C 1.151 177.225 176.094 -0.034 0.000 1.088 418 V CA -0.101 62.228 62.300 0.048 0.000 1.129 418 V CB 0.375 32.276 31.823 0.131 0.000 1.014 418 V HN 0.769 nan 8.190 nan 0.000 0.486 419 A N 5.097 127.856 122.820 -0.102 0.000 2.331 419 A HA 0.718 5.037 4.320 -0.001 0.000 0.283 419 A C -1.971 175.344 177.584 -0.448 0.000 1.142 419 A CA -1.242 50.675 52.037 -0.199 0.000 0.812 419 A CB 0.230 19.151 19.000 -0.133 0.000 1.074 419 A HN 0.721 nan 8.150 nan 0.000 0.497 420 P HA 0.512 nan 4.420 nan 0.000 0.285 420 P C -2.763 174.285 177.300 -0.420 0.000 1.269 420 P CA -1.663 60.869 63.100 -0.948 0.000 0.844 420 P CB 0.175 31.413 31.700 -0.770 0.000 1.094 421 P HA 0.020 nan 4.420 nan 0.000 0.271 421 P C 0.634 177.874 177.300 -0.101 0.000 1.233 421 P CA 0.116 63.140 63.100 -0.126 0.000 0.795 421 P CB 0.125 31.800 31.700 -0.042 0.000 0.936 422 A N 0.085 122.866 122.820 -0.065 0.000 2.081 422 A HA 0.169 4.488 4.320 -0.001 0.000 0.214 422 A C 0.734 178.297 177.584 -0.035 0.000 1.158 422 A CA 1.543 53.549 52.037 -0.052 0.000 0.724 422 A CB -0.589 18.386 19.000 -0.041 0.000 0.826 422 A HN 0.651 nan 8.150 nan 0.000 0.463 423 T N -4.457 110.083 114.554 -0.023 0.000 2.868 423 T HA 0.557 4.906 4.350 -0.001 0.000 0.306 423 T C 0.670 175.372 174.700 0.004 0.000 1.224 423 T CA -0.433 61.659 62.100 -0.012 0.000 1.012 423 T CB 0.767 69.629 68.868 -0.009 0.000 1.221 423 T HN -0.000 nan 8.240 nan 0.000 0.499 424 I N 0.557 121.127 120.570 0.001 0.000 2.315 424 I HA -0.101 4.068 4.170 -0.001 0.000 0.248 424 I C 2.761 178.907 176.117 0.049 0.000 1.117 424 I CA 1.454 62.761 61.300 0.012 0.000 1.404 424 I CB -0.317 37.668 38.000 -0.026 0.000 1.071 424 I HN 0.902 nan 8.210 nan 0.000 0.419 425 E N 1.643 121.861 120.200 0.030 0.000 2.049 425 E HA -0.330 4.019 4.350 -0.001 0.000 0.198 425 E C 2.123 178.781 176.600 0.096 0.000 1.007 425 E CA 1.921 58.358 56.400 0.062 0.000 0.809 425 E CB -0.134 29.579 29.700 0.022 0.000 0.749 425 E HN 0.498 nan 8.360 nan 0.000 0.450 426 E N 0.387 120.616 120.200 0.049 0.000 2.048 426 E HA -0.307 4.042 4.350 -0.001 0.000 0.202 426 E C 1.945 178.572 176.600 0.045 0.000 1.021 426 E CA 1.988 58.408 56.400 0.033 0.000 0.825 426 E CB -0.307 29.399 29.700 0.010 0.000 0.756 426 E HN 0.269 nan 8.360 nan 0.000 0.454 427 D N -0.660 119.775 120.400 0.058 0.000 2.149 427 D HA -0.200 4.439 4.640 -0.001 0.000 0.198 427 D C 1.849 178.191 176.300 0.070 0.000 0.990 427 D CA 1.081 55.120 54.000 0.065 0.000 0.839 427 D CB -0.412 40.438 40.800 0.084 0.000 0.948 427 D HN 0.273 nan 8.370 nan 0.000 0.460 428 F N 1.354 121.284 119.950 -0.034 0.000 2.102 428 F HA -0.158 4.369 4.527 -0.001 0.000 0.298 428 F C 2.033 177.807 175.800 -0.043 0.000 1.105 428 F CA 1.518 59.489 58.000 -0.049 0.000 1.239 428 F CB -0.479 38.483 39.000 -0.064 0.000 0.991 428 F HN -0.023 nan 8.300 nan 0.000 0.474 429 N N 1.172 119.853 118.700 -0.032 0.000 2.069 429 N HA -0.155 4.584 4.740 -0.001 0.000 0.191 429 N C 1.288 176.700 175.510 -0.163 0.000 1.031 429 N CA 1.046 54.029 53.050 -0.112 0.000 0.852 429 N CB -1.197 37.285 38.487 -0.008 0.000 1.018 429 N HN 0.342 nan 8.380 nan 0.000 0.423 430 A N 0.000 122.761 122.820 -0.098 0.000 2.254 430 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 430 A CA 0.000 51.990 52.037 -0.078 0.000 0.836 430 A CB 0.000 18.982 19.000 -0.031 0.000 0.831 430 A HN 0.000 nan 8.150 nan 0.000 0.486