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 2fyn_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 3.958 3.960 -0.003 0.000 0.244 3 G C 0.000 174.901 174.900 0.002 0.000 0.946 3 G CA 0.000 45.117 45.100 0.028 0.000 0.502 4 I N 1.796 122.339 120.570 -0.046 0.000 2.392 4 I HA 0.368 4.536 4.170 -0.003 0.000 0.295 4 I C -2.310 173.740 176.117 -0.111 0.000 0.985 4 I CA -2.250 59.008 61.300 -0.069 0.000 1.221 4 I CB 1.849 39.796 38.000 -0.089 0.000 1.366 4 I HN -0.175 nan 8.210 nan 0.000 0.467 5 P HA 0.218 nan 4.420 nan 0.000 0.276 5 P C -1.156 176.200 177.300 0.094 0.000 1.253 5 P CA 0.190 63.316 63.100 0.044 0.000 0.766 5 P CB 0.196 31.938 31.700 0.070 0.000 0.845 6 H N -0.884 118.200 119.070 0.023 0.000 2.948 6 H HA 0.488 5.042 4.556 -0.003 0.000 0.315 6 H C -1.330 173.978 175.328 -0.034 0.000 1.360 6 H CA -1.265 54.775 56.048 -0.013 0.000 1.125 6 H CB 0.864 30.601 29.762 -0.041 0.000 1.844 6 H HN 0.091 nan 8.280 nan 0.000 0.529 7 D N 0.285 120.699 120.400 0.024 0.000 2.350 7 D HA 0.191 4.829 4.640 -0.003 0.000 0.249 7 D C -0.214 175.997 176.300 -0.148 0.000 1.119 7 D CA 0.357 54.375 54.000 0.031 0.000 0.886 7 D CB 0.816 41.664 40.800 0.080 0.000 1.195 7 D HN 0.367 nan 8.370 nan 0.000 0.437 8 H N 0.374 119.510 119.070 0.110 0.000 2.965 8 H HA 0.281 4.836 4.556 -0.003 0.000 0.220 8 H C -0.638 174.862 175.328 0.286 0.000 1.548 8 H CA -0.447 55.730 56.048 0.215 0.000 1.658 8 H CB 0.048 29.940 29.762 0.217 0.000 1.509 8 H HN 0.373 nan 8.280 nan 0.000 0.930 9 Y N 1.583 122.008 120.300 0.210 0.000 2.346 9 Y HA 0.232 4.780 4.550 -0.003 0.000 0.330 9 Y C -0.773 175.033 175.900 -0.156 0.000 1.178 9 Y CA -1.141 56.827 58.100 -0.220 0.000 1.331 9 Y CB 0.298 38.715 38.460 -0.072 0.000 1.253 9 Y HN 0.537 nan 8.280 nan 0.000 0.529 10 E N 5.727 125.446 120.200 -0.802 0.000 2.279 10 E HA 0.402 4.750 4.350 -0.003 0.000 0.252 10 E C -3.059 173.012 176.600 -0.881 0.000 0.894 10 E CA -2.600 53.389 56.400 -0.685 0.000 0.785 10 E CB 1.111 30.626 29.700 -0.307 0.000 1.237 10 E HN 0.306 nan 8.360 nan 0.000 0.418 11 P HA 0.100 nan 4.420 nan 0.000 0.267 11 P C 0.082 177.231 177.300 -0.252 0.000 1.209 11 P CA -0.324 62.468 63.100 -0.514 0.000 0.763 11 P CB 0.842 32.315 31.700 -0.378 0.000 0.816 12 R N 1.395 121.817 120.500 -0.131 0.000 1.970 12 R HA 0.184 4.523 4.340 -0.003 0.000 0.200 12 R C 0.861 177.147 176.300 -0.024 0.000 1.457 12 R CA 0.808 56.868 56.100 -0.066 0.000 1.139 12 R CB -1.208 29.073 30.300 -0.033 0.000 0.977 12 R HN 0.344 nan 8.270 nan 0.000 0.477 13 T N 0.066 114.625 114.554 0.008 0.000 2.619 13 T HA 0.107 4.455 4.350 -0.003 0.000 0.330 13 T C 1.529 176.249 174.700 0.033 0.000 1.037 13 T CA 0.491 62.603 62.100 0.021 0.000 1.005 13 T CB 0.233 69.121 68.868 0.033 0.000 1.084 13 T HN 0.456 nan 8.240 nan 0.000 0.521 14 G N -0.576 108.246 108.800 0.038 0.000 2.411 14 G HA2 -0.015 3.944 3.960 -0.003 0.000 0.213 14 G HA3 -0.015 3.944 3.960 -0.003 0.000 0.213 14 G C 1.519 176.488 174.900 0.115 0.000 1.166 14 G CA 0.058 45.194 45.100 0.061 0.000 0.802 14 G HN 0.682 nan 8.290 nan 0.000 0.533 15 I N 0.828 121.448 120.570 0.083 0.000 2.315 15 I HA -0.204 3.964 4.170 -0.003 0.000 0.251 15 I C 2.661 178.908 176.117 0.218 0.000 1.125 15 I CA 1.272 62.643 61.300 0.118 0.000 1.392 15 I CB -0.214 37.816 38.000 0.050 0.000 1.065 15 I HN 0.272 nan 8.210 nan 0.000 0.424 16 E N 0.916 121.216 120.200 0.167 0.000 2.072 16 E HA -0.175 4.173 4.350 -0.003 0.000 0.190 16 E C 2.158 178.882 176.600 0.207 0.000 0.982 16 E CA 0.918 57.436 56.400 0.197 0.000 0.803 16 E CB 0.036 29.830 29.700 0.156 0.000 0.755 16 E HN 0.476 nan 8.360 nan 0.000 0.453 17 K N -0.045 120.444 120.400 0.148 0.000 2.155 17 K HA -0.154 4.165 4.320 -0.003 0.000 0.203 17 K C 1.798 178.501 176.600 0.172 0.000 1.052 17 K CA 1.011 57.363 56.287 0.108 0.000 0.948 17 K CB -0.156 32.375 32.500 0.052 0.000 0.728 17 K HN 0.189 nan 8.250 nan 0.000 0.448 18 W N 1.673 123.000 121.300 0.044 0.000 2.354 18 W HA -0.191 4.467 4.660 -0.003 0.000 0.315 18 W C 1.805 178.357 176.519 0.055 0.000 1.206 18 W CA 0.962 58.330 57.345 0.039 0.000 1.290 18 W CB -0.404 29.071 29.460 0.025 0.000 1.152 18 W HN -0.042 nan 8.180 nan 0.000 0.489 19 L N 0.288 121.685 121.223 0.290 0.000 2.083 19 L HA -0.224 4.114 4.340 -0.003 0.000 0.209 19 L C 2.672 179.538 176.870 -0.008 0.000 1.083 19 L CA 2.319 57.221 54.840 0.103 0.000 0.752 19 L CB -1.476 40.735 42.059 0.253 0.000 0.899 19 L HN 0.188 nan 8.230 nan 0.000 0.433 20 H N -0.822 118.258 119.070 0.017 0.000 2.389 20 H HA -0.045 4.509 4.556 -0.003 0.000 0.299 20 H C 2.082 177.376 175.328 -0.056 0.000 1.081 20 H CA 1.457 57.517 56.048 0.020 0.000 1.345 20 H CB 0.149 29.953 29.762 0.070 0.000 1.393 20 H HN 0.534 nan 8.280 nan 0.000 0.520 21 S N -0.256 115.493 115.700 0.080 0.000 2.607 21 S HA 0.065 4.533 4.470 -0.003 0.000 0.224 21 S C 1.814 176.338 174.600 -0.127 0.000 0.969 21 S CA 0.160 58.359 58.200 -0.002 0.000 0.927 21 S CB 0.245 63.412 63.200 -0.055 0.000 0.772 21 S HN 0.388 nan 8.310 nan 0.000 0.533 22 R N -0.621 119.750 120.500 -0.214 0.000 2.215 22 R HA 0.487 4.825 4.340 -0.003 0.000 0.190 22 R C -0.740 175.444 176.300 -0.192 0.000 0.968 22 R CA 0.065 56.010 56.100 -0.258 0.000 1.122 22 R CB 0.223 30.249 30.300 -0.456 0.000 1.151 22 R HN 0.338 nan 8.270 nan 0.000 0.582 23 L N 2.290 123.398 121.223 -0.191 0.000 2.620 23 L HA 0.339 4.677 4.340 -0.003 0.000 0.261 23 L C -2.716 174.038 176.870 -0.192 0.000 0.978 23 L CA -1.715 53.028 54.840 -0.162 0.000 0.897 23 L CB 2.111 44.096 42.059 -0.124 0.000 1.207 23 L HN -0.119 nan 8.230 nan 0.000 0.425 24 P HA 0.147 nan 4.420 nan 0.000 0.238 24 P C 1.005 178.176 177.300 -0.216 0.000 1.714 24 P CA 0.120 63.000 63.100 -0.367 0.000 0.908 24 P CB -0.205 31.211 31.700 -0.472 0.000 1.893 25 I N -0.976 119.502 120.570 -0.154 0.000 2.315 25 I HA -0.194 3.974 4.170 -0.003 0.000 0.248 25 I C 2.291 178.322 176.117 -0.144 0.000 1.117 25 I CA 0.997 62.223 61.300 -0.124 0.000 1.404 25 I CB -0.838 37.110 38.000 -0.086 0.000 1.071 25 I HN -0.082 nan 8.210 nan 0.000 0.419 26 V N 1.456 121.275 119.914 -0.158 0.000 2.295 26 V HA -0.256 3.862 4.120 -0.003 0.000 0.246 26 V C 2.885 178.683 176.094 -0.493 0.000 1.049 26 V CA 1.877 64.026 62.300 -0.253 0.000 1.024 26 V CB -1.317 30.401 31.823 -0.175 0.000 0.648 26 V HN 0.488 nan 8.190 nan 0.000 0.447 27 A N 0.624 123.169 122.820 -0.457 0.000 1.842 27 A HA -0.271 4.047 4.320 -0.003 0.000 0.217 27 A C 2.303 179.822 177.584 -0.110 0.000 1.206 27 A CA 2.436 54.273 52.037 -0.334 0.000 0.630 27 A CB -0.884 18.164 19.000 0.080 0.000 0.839 27 A HN 0.527 nan 8.150 nan 0.000 0.447 28 L N -0.733 120.446 121.223 -0.074 0.000 2.043 28 L HA -0.199 4.139 4.340 -0.003 0.000 0.212 28 L C 2.584 179.425 176.870 -0.049 0.000 1.075 28 L CA 2.109 56.925 54.840 -0.041 0.000 0.752 28 L CB -0.351 41.655 42.059 -0.088 0.000 0.891 28 L HN 0.389 nan 8.230 nan 0.000 0.432 29 A N -1.352 121.416 122.820 -0.087 0.000 2.067 29 A HA -0.250 4.068 4.320 -0.003 0.000 0.219 29 A C 2.048 179.616 177.584 -0.027 0.000 1.158 29 A CA 1.548 53.541 52.037 -0.074 0.000 0.661 29 A CB -0.865 18.078 19.000 -0.096 0.000 0.801 29 A HN 0.732 nan 8.150 nan 0.000 0.452 30 Y N 1.016 121.213 120.300 -0.173 0.000 2.176 30 Y HA -0.112 4.436 4.550 -0.003 0.000 0.291 30 Y C 1.665 177.578 175.900 0.021 0.000 1.122 30 Y CA 1.732 59.762 58.100 -0.117 0.000 1.128 30 Y CB -0.082 38.236 38.460 -0.237 0.000 1.005 30 Y HN 0.322 nan 8.280 nan 0.000 0.509 31 D N -0.717 119.769 120.400 0.142 0.000 2.265 31 D HA -0.153 4.485 4.640 -0.003 0.000 0.208 31 D C 1.884 178.258 176.300 0.124 0.000 0.977 31 D CA 1.715 55.805 54.000 0.151 0.000 0.871 31 D CB -0.302 40.674 40.800 0.294 0.000 0.925 31 D HN 0.391 nan 8.370 nan 0.000 0.485 32 T N 0.355 114.935 114.554 0.044 0.000 2.937 32 T HA -0.002 4.346 4.350 -0.003 0.000 0.260 32 T C 1.744 176.561 174.700 0.194 0.000 1.051 32 T CA -0.007 62.095 62.100 0.004 0.000 1.141 32 T CB 0.152 68.932 68.868 -0.146 0.000 0.879 32 T HN 0.020 nan 8.240 nan 0.000 0.459 33 I N 0.772 121.427 120.570 0.141 0.000 3.578 33 I HA 0.208 4.376 4.170 -0.003 0.000 0.295 33 I C 1.222 177.524 176.117 0.308 0.000 1.280 33 I CA 0.729 62.196 61.300 0.278 0.000 1.347 33 I CB -0.135 37.890 38.000 0.041 0.000 1.051 33 I HN 0.116 nan 8.210 nan 0.000 0.460 34 M N -0.542 119.126 119.600 0.112 0.000 2.333 34 M HA 0.261 4.739 4.480 -0.003 0.000 0.257 34 M C 0.420 176.894 176.300 0.290 0.000 1.078 34 M CA -0.435 54.912 55.300 0.078 0.000 1.005 34 M CB -0.378 31.967 32.600 -0.426 0.000 1.444 34 M HN -0.026 nan 8.290 nan 0.000 0.496 35 I N 4.690 125.477 120.570 0.362 0.000 2.906 35 I HA -0.043 4.125 4.170 -0.003 0.000 0.302 35 I C -1.799 174.469 176.117 0.251 0.000 1.220 35 I CA -1.022 60.453 61.300 0.291 0.000 1.441 35 I CB 0.392 38.545 38.000 0.256 0.000 1.336 35 I HN 0.019 nan 8.210 nan 0.000 0.565 36 P HA 0.160 nan 4.420 nan 0.000 0.276 36 P C -1.163 176.198 177.300 0.102 0.000 1.235 36 P CA -0.272 62.909 63.100 0.135 0.000 0.772 36 P CB 0.544 32.282 31.700 0.062 0.000 0.871 37 T N 0.346 115.000 114.554 0.168 0.000 2.893 37 T HA 0.496 4.844 4.350 -0.003 0.000 0.293 37 T C -2.905 171.867 174.700 0.119 0.000 1.027 37 T CA -2.918 59.256 62.100 0.124 0.000 0.988 37 T CB 1.160 70.121 68.868 0.155 0.000 1.043 37 T HN 0.150 nan 8.240 nan 0.000 0.461 38 P HA -0.052 nan 4.420 nan 0.000 0.264 38 P C 0.535 177.790 177.300 -0.075 0.000 1.156 38 P CA 0.197 63.239 63.100 -0.096 0.000 0.756 38 P CB 0.682 32.261 31.700 -0.202 0.000 0.764 39 R N 1.742 122.091 120.500 -0.251 0.000 2.115 39 R HA -0.079 4.259 4.340 -0.003 0.000 0.230 39 R C 1.076 176.985 176.300 -0.653 0.000 1.111 39 R CA 0.978 56.716 56.100 -0.603 0.000 0.976 39 R CB -0.328 29.325 30.300 -1.079 0.000 0.870 39 R HN 0.644 nan 8.270 nan 0.000 0.445 40 N N 1.356 119.798 118.700 -0.431 0.000 2.422 40 N HA 0.182 4.920 4.740 -0.003 0.000 0.266 40 N C -0.888 174.420 175.510 -0.337 0.000 1.007 40 N CA 0.026 52.913 53.050 -0.271 0.000 0.941 40 N CB 1.488 39.895 38.487 -0.134 0.000 1.115 40 N HN 0.018 nan 8.380 nan 0.000 0.492 41 L N 2.036 123.090 121.223 -0.282 0.000 2.849 41 L HA 0.161 4.499 4.340 -0.003 0.000 0.256 41 L C -0.650 176.143 176.870 -0.128 0.000 0.951 41 L CA -0.862 53.644 54.840 -0.557 0.000 1.003 41 L CB 1.265 42.887 42.059 -0.727 0.000 1.408 41 L HN 0.640 nan 8.230 nan 0.000 0.463 42 N N 0.895 119.574 118.700 -0.035 0.000 2.347 42 N HA 0.069 4.807 4.740 -0.003 0.000 0.253 42 N C 0.935 176.758 175.510 0.521 0.000 1.274 42 N CA -0.471 52.718 53.050 0.231 0.000 0.941 42 N CB 0.662 39.278 38.487 0.216 0.000 1.200 42 N HN 0.671 nan 8.380 nan 0.000 0.514 43 W N -0.803 120.610 121.300 0.189 0.000 2.337 43 W HA -0.137 4.522 4.660 -0.002 0.000 0.272 43 W C 1.280 177.905 176.519 0.176 0.000 1.203 43 W CA 0.073 57.505 57.345 0.146 0.000 1.165 43 W CB 0.042 29.589 29.460 0.144 0.000 1.133 43 W HN 0.345 nan 8.180 nan 0.000 0.571 44 M N -1.676 118.262 119.600 0.564 0.000 2.659 44 M HA -0.101 4.378 4.480 -0.003 0.000 0.243 44 M C 1.190 177.676 176.300 0.309 0.000 1.111 44 M CA 0.632 56.242 55.300 0.516 0.000 1.070 44 M CB -1.055 31.820 32.600 0.459 0.000 1.525 44 M HN 0.237 nan 8.290 nan 0.000 0.517 45 W N 0.439 121.769 121.300 0.049 0.000 3.278 45 W HA 0.123 4.781 4.660 -0.003 0.000 0.308 45 W C 1.502 177.941 176.519 -0.133 0.000 1.253 45 W CA 0.192 57.508 57.345 -0.048 0.000 1.759 45 W CB 0.148 29.509 29.460 -0.166 0.000 1.093 45 W HN 0.245 nan 8.180 nan 0.000 0.648 46 I N -4.065 116.411 120.570 -0.156 0.000 3.419 46 I HA -0.004 4.164 4.170 -0.003 0.000 0.286 46 I C 1.621 177.449 176.117 -0.482 0.000 1.268 46 I CA 0.716 61.790 61.300 -0.376 0.000 1.414 46 I CB -0.723 36.896 38.000 -0.635 0.000 1.074 46 I HN -0.223 nan 8.210 nan 0.000 0.457 47 W N 2.130 123.429 121.300 -0.003 0.000 2.421 47 W HA 0.109 4.767 4.660 -0.003 0.000 0.270 47 W C 2.560 178.953 176.519 -0.210 0.000 1.233 47 W CA 0.845 58.165 57.345 -0.042 0.000 1.226 47 W CB -0.577 28.922 29.460 0.065 0.000 1.121 47 W HN 0.213 nan 8.180 nan 0.000 0.579 48 G N 0.372 109.110 108.800 -0.104 0.000 2.418 48 G HA2 -0.249 3.710 3.960 -0.003 0.000 0.217 48 G HA3 -0.249 3.710 3.960 -0.003 0.000 0.217 48 G C 1.486 176.343 174.900 -0.071 0.000 1.158 48 G CA 1.554 46.510 45.100 -0.241 0.000 0.771 48 G HN 0.145 nan 8.290 nan 0.000 0.545 49 V N 0.535 120.435 119.914 -0.024 0.000 2.270 49 V HA -0.163 3.955 4.120 -0.003 0.000 0.245 49 V C 3.057 179.170 176.094 0.031 0.000 1.043 49 V CA 1.496 63.816 62.300 0.034 0.000 1.014 49 V CB -0.463 31.378 31.823 0.030 0.000 0.645 49 V HN 0.236 nan 8.190 nan 0.000 0.447 50 V N -0.072 119.827 119.914 -0.026 0.000 2.439 50 V HA -0.323 3.795 4.120 -0.003 0.000 0.253 50 V C 2.270 178.419 176.094 0.091 0.000 1.074 50 V CA 2.087 64.403 62.300 0.026 0.000 1.076 50 V CB -0.668 31.200 31.823 0.075 0.000 0.664 50 V HN 0.443 nan 8.190 nan 0.000 0.461 51 L N -0.404 120.861 121.223 0.070 0.000 2.044 51 L HA -0.103 4.235 4.340 -0.003 0.000 0.205 51 L C 2.774 179.639 176.870 -0.008 0.000 1.075 51 L CA 1.430 56.314 54.840 0.074 0.000 0.747 51 L CB -0.832 41.267 42.059 0.066 0.000 0.903 51 L HN 0.349 nan 8.230 nan 0.000 0.435 52 A N 0.274 123.118 122.820 0.040 0.000 1.859 52 A HA -0.331 3.987 4.320 -0.003 0.000 0.217 52 A C 2.204 179.767 177.584 -0.034 0.000 1.198 52 A CA 2.122 54.180 52.037 0.034 0.000 0.629 52 A CB -1.146 17.913 19.000 0.098 0.000 0.830 52 A HN 0.426 nan 8.150 nan 0.000 0.446 53 F N 0.477 120.366 119.950 -0.102 0.000 2.091 53 F HA -0.300 4.225 4.527 -0.003 0.000 0.299 53 F C 2.500 178.160 175.800 -0.233 0.000 1.103 53 F CA 1.890 59.818 58.000 -0.120 0.000 1.228 53 F CB -0.720 38.226 39.000 -0.090 0.000 0.984 53 F HN 0.315 nan 8.300 nan 0.000 0.477 54 C N 0.120 119.261 119.300 -0.264 0.000 2.413 54 C HA -0.167 4.292 4.460 -0.003 0.000 0.276 54 C C 2.681 177.133 174.990 -0.897 0.000 1.248 54 C CA 1.049 59.687 59.018 -0.634 0.000 1.742 54 C CB -1.502 25.747 27.740 -0.819 0.000 2.017 54 C HN 0.669 nan 8.230 nan 0.000 0.481 55 L N 0.630 121.351 121.223 -0.837 0.000 2.042 55 L HA -0.093 4.246 4.340 -0.003 0.000 0.210 55 L C 2.443 179.079 176.870 -0.390 0.000 1.076 55 L CA 1.929 56.418 54.840 -0.584 0.000 0.749 55 L CB -0.746 41.162 42.059 -0.252 0.000 0.893 55 L HN 0.198 nan 8.230 nan 0.000 0.432 56 V N -0.606 119.085 119.914 -0.373 0.000 2.270 56 V HA -0.246 3.873 4.120 -0.003 0.000 0.245 56 V C 2.490 178.363 176.094 -0.369 0.000 1.043 56 V CA 1.618 63.732 62.300 -0.309 0.000 1.014 56 V CB -0.672 30.981 31.823 -0.283 0.000 0.645 56 V HN 0.559 nan 8.190 nan 0.000 0.447 57 L N 0.210 121.079 121.223 -0.590 0.000 2.013 57 L HA -0.239 4.099 4.340 -0.003 0.000 0.212 57 L C 2.466 179.201 176.870 -0.225 0.000 1.073 57 L CA 2.084 56.646 54.840 -0.463 0.000 0.753 57 L CB -0.924 40.776 42.059 -0.599 0.000 0.890 57 L HN 0.270 nan 8.230 nan 0.000 0.432 58 Q N -0.073 119.565 119.800 -0.270 0.000 2.050 58 Q HA -0.159 4.179 4.340 -0.003 0.000 0.202 58 Q C 2.420 178.399 176.000 -0.036 0.000 0.980 58 Q CA 2.381 58.121 55.803 -0.104 0.000 0.840 58 Q CB -0.466 28.133 28.738 -0.232 0.000 0.898 58 Q HN 0.674 nan 8.270 nan 0.000 0.424 59 I N 0.467 120.938 120.570 -0.165 0.000 2.179 59 I HA -0.238 3.930 4.170 -0.003 0.000 0.242 59 I C 2.458 178.500 176.117 -0.125 0.000 1.088 59 I CA 1.297 62.487 61.300 -0.184 0.000 1.357 59 I CB -0.586 37.300 38.000 -0.190 0.000 1.051 59 I HN 0.097 nan 8.210 nan 0.000 0.409 60 V N -0.249 119.609 119.914 -0.093 0.000 2.270 60 V HA -0.238 3.880 4.120 -0.003 0.000 0.245 60 V C 2.553 178.615 176.094 -0.054 0.000 1.043 60 V CA 2.342 64.609 62.300 -0.054 0.000 1.014 60 V CB -1.715 30.084 31.823 -0.040 0.000 0.645 60 V HN 0.592 nan 8.190 nan 0.000 0.447 61 T N -1.689 112.843 114.554 -0.036 0.000 2.897 61 T HA 0.006 4.355 4.350 -0.003 0.000 0.271 61 T C 1.930 176.522 174.700 -0.180 0.000 1.084 61 T CA 1.544 63.625 62.100 -0.031 0.000 1.123 61 T CB -1.069 67.846 68.868 0.078 0.000 0.865 61 T HN 0.783 nan 8.240 nan 0.000 0.496 62 G N 2.157 110.807 108.800 -0.250 0.000 2.424 62 G HA2 -0.006 3.953 3.960 -0.003 0.000 0.214 62 G HA3 -0.006 3.953 3.960 -0.003 0.000 0.214 62 G C 1.529 176.243 174.900 -0.310 0.000 1.202 62 G CA 0.692 45.518 45.100 -0.456 0.000 0.793 62 G HN 0.508 nan 8.290 nan 0.000 0.534 63 I N 0.872 121.307 120.570 -0.224 0.000 2.151 63 I HA -0.204 3.964 4.170 -0.003 0.000 0.243 63 I C 2.863 178.971 176.117 -0.015 0.000 1.080 63 I CA 0.990 62.232 61.300 -0.096 0.000 1.339 63 I CB -1.087 36.928 38.000 0.024 0.000 1.039 63 I HN 0.016 nan 8.210 nan 0.000 0.409 64 V N 1.298 121.204 119.914 -0.014 0.000 2.252 64 V HA -0.290 3.829 4.120 -0.003 0.000 0.249 64 V C 2.601 178.757 176.094 0.103 0.000 1.056 64 V CA 1.888 64.217 62.300 0.048 0.000 1.022 64 V CB -0.566 31.279 31.823 0.037 0.000 0.641 64 V HN 0.354 nan 8.190 nan 0.000 0.445 65 L N -0.103 121.128 121.223 0.014 0.000 2.131 65 L HA -0.145 4.193 4.340 -0.003 0.000 0.210 65 L C 2.569 179.516 176.870 0.129 0.000 1.092 65 L CA 1.410 56.282 54.840 0.053 0.000 0.759 65 L CB -0.630 41.361 42.059 -0.115 0.000 0.903 65 L HN 0.371 nan 8.230 nan 0.000 0.435 66 A N -0.855 122.021 122.820 0.093 0.000 2.067 66 A HA -0.178 4.140 4.320 -0.003 0.000 0.219 66 A C 2.225 179.922 177.584 0.188 0.000 1.158 66 A CA 1.219 53.408 52.037 0.252 0.000 0.661 66 A CB -0.436 18.728 19.000 0.273 0.000 0.801 66 A HN 0.382 nan 8.150 nan 0.000 0.452 67 M N -1.269 118.362 119.600 0.051 0.000 2.557 67 M HA -0.039 4.439 4.480 -0.003 0.000 0.259 67 M C 1.160 177.201 176.300 -0.431 0.000 1.086 67 M CA 0.925 56.120 55.300 -0.175 0.000 1.096 67 M CB -0.006 32.428 32.600 -0.275 0.000 1.424 67 M HN 0.505 nan 8.290 nan 0.000 0.488 68 H N -3.252 115.857 119.070 0.064 0.000 3.241 68 H HA 0.141 4.695 4.556 -0.003 0.000 0.260 68 H C -0.502 174.818 175.328 -0.013 0.000 1.084 68 H CA -0.124 55.936 56.048 0.021 0.000 1.203 68 H CB 0.394 30.203 29.762 0.078 0.000 1.524 68 H HN 0.208 nan 8.280 nan 0.000 0.521 69 Y N 3.489 123.791 120.300 0.003 0.000 2.304 69 Y HA 0.267 4.816 4.550 -0.003 0.000 0.328 69 Y C 0.202 175.973 175.900 -0.214 0.000 1.123 69 Y CA -0.668 57.383 58.100 -0.081 0.000 1.218 69 Y CB 0.968 39.404 38.460 -0.040 0.000 1.207 69 Y HN -0.071 nan 8.280 nan 0.000 0.495 70 T N 5.904 119.874 114.554 -0.973 0.000 2.772 70 T HA 0.402 4.750 4.350 -0.003 0.000 0.288 70 T C -2.889 171.133 174.700 -1.129 0.000 0.994 70 T CA -2.498 59.108 62.100 -0.825 0.000 0.951 70 T CB 1.511 70.094 68.868 -0.474 0.000 0.933 70 T HN 0.557 nan 8.240 nan 0.000 0.447 71 P HA 0.187 nan 4.420 nan 0.000 0.244 71 P C -0.816 176.299 177.300 -0.308 0.000 1.769 71 P CA 0.096 62.883 63.100 -0.522 0.000 1.102 71 P CB -0.453 31.009 31.700 -0.397 0.000 1.937 72 H N 1.966 120.752 119.070 -0.472 0.000 3.042 72 H HA 0.050 4.604 4.556 -0.003 0.000 0.345 72 H C 0.581 175.639 175.328 -0.450 0.000 1.052 72 H CA -0.488 55.322 56.048 -0.397 0.000 1.311 72 H CB 2.568 32.149 29.762 -0.301 0.000 1.810 72 H HN -0.122 nan 8.280 nan 0.000 0.505 73 V N 4.155 123.618 119.914 -0.752 0.000 2.280 73 V HA -0.331 3.788 4.120 -0.003 0.000 0.258 73 V C 1.462 177.423 176.094 -0.223 0.000 1.081 73 V CA 2.901 64.759 62.300 -0.736 0.000 1.070 73 V CB -0.057 31.380 31.823 -0.642 0.000 0.666 73 V HN 0.758 nan 8.190 nan 0.000 0.450 74 D N -0.993 119.456 120.400 0.082 0.000 2.269 74 D HA -0.021 4.617 4.640 -0.003 0.000 0.208 74 D C 1.711 178.042 176.300 0.053 0.000 0.963 74 D CA 1.374 55.444 54.000 0.117 0.000 0.864 74 D CB 0.138 41.033 40.800 0.157 0.000 0.936 74 D HN 0.505 nan 8.370 nan 0.000 0.505 75 L N -0.520 120.707 121.223 0.007 0.000 2.749 75 L HA 0.311 4.650 4.340 -0.003 0.000 0.242 75 L C 2.254 179.059 176.870 -0.108 0.000 1.103 75 L CA 0.077 54.873 54.840 -0.073 0.000 0.906 75 L CB 0.020 41.978 42.059 -0.169 0.000 1.228 75 L HN -0.193 nan 8.230 nan 0.000 0.517 76 A N 1.057 123.783 122.820 -0.157 0.000 1.869 76 A HA -0.311 4.007 4.320 -0.003 0.000 0.218 76 A C 2.149 179.810 177.584 0.129 0.000 1.203 76 A CA 2.290 54.227 52.037 -0.168 0.000 0.638 76 A CB -0.938 17.962 19.000 -0.166 0.000 0.831 76 A HN 0.383 nan 8.150 nan 0.000 0.450 77 F N 0.629 120.639 119.950 0.099 0.000 2.075 77 F HA -0.027 4.499 4.527 -0.003 0.000 0.297 77 F C 2.639 178.511 175.800 0.120 0.000 1.113 77 F CA 1.299 59.397 58.000 0.163 0.000 1.218 77 F CB -0.668 38.443 39.000 0.184 0.000 0.984 77 F HN 0.270 nan 8.300 nan 0.000 0.472 78 A N -0.167 122.765 122.820 0.186 0.000 1.892 78 A HA -0.302 4.017 4.320 -0.003 0.000 0.218 78 A C 2.400 179.982 177.584 -0.003 0.000 1.188 78 A CA 2.628 54.705 52.037 0.065 0.000 0.631 78 A CB -1.661 17.392 19.000 0.088 0.000 0.822 78 A HN 0.559 nan 8.150 nan 0.000 0.447 79 S N -0.512 115.169 115.700 -0.032 0.000 2.387 79 S HA -0.148 4.320 4.470 -0.003 0.000 0.230 79 S C 1.740 176.369 174.600 0.049 0.000 1.035 79 S CA 1.857 60.021 58.200 -0.061 0.000 1.014 79 S CB -0.745 62.330 63.200 -0.209 0.000 0.836 79 S HN 0.330 nan 8.310 nan 0.000 0.466 80 V N 1.247 121.183 119.914 0.035 0.000 2.719 80 V HA 0.046 4.164 4.120 -0.003 0.000 0.252 80 V C 2.770 178.835 176.094 -0.047 0.000 1.065 80 V CA 1.775 64.097 62.300 0.036 0.000 1.086 80 V CB -0.732 31.099 31.823 0.013 0.000 0.700 80 V HN 0.444 nan 8.190 nan 0.000 0.467 81 E N -0.351 119.774 120.200 -0.125 0.000 2.216 81 E HA -0.157 4.191 4.350 -0.003 0.000 0.192 81 E C 2.139 178.733 176.600 -0.010 0.000 0.988 81 E CA 0.748 57.081 56.400 -0.111 0.000 0.834 81 E CB -0.335 29.267 29.700 -0.164 0.000 0.772 81 E HN 0.708 nan 8.360 nan 0.000 0.479 82 H N 0.619 119.651 119.070 -0.063 0.000 2.299 82 H HA -0.039 4.516 4.556 -0.003 0.000 0.302 82 H C 1.992 177.293 175.328 -0.045 0.000 1.078 82 H CA 1.702 57.728 56.048 -0.038 0.000 1.323 82 H CB -0.345 29.402 29.762 -0.024 0.000 1.381 82 H HN 0.186 nan 8.280 nan 0.000 0.498 83 I N 0.589 121.285 120.570 0.210 0.000 2.502 83 I HA -0.291 3.877 4.170 -0.003 0.000 0.258 83 I C 2.356 178.443 176.117 -0.049 0.000 1.172 83 I CA 0.791 62.131 61.300 0.067 0.000 1.430 83 I CB -0.176 37.868 38.000 0.072 0.000 1.086 83 I HN 0.302 nan 8.210 nan 0.000 0.440 84 M N -0.312 119.264 119.600 -0.039 0.000 2.325 84 M HA -0.035 4.443 4.480 -0.003 0.000 0.265 84 M C 2.305 178.608 176.300 0.005 0.000 1.094 84 M CA 1.588 56.876 55.300 -0.021 0.000 1.161 84 M CB -0.680 31.894 32.600 -0.044 0.000 1.358 84 M HN 0.158 nan 8.290 nan 0.000 0.446 85 R N -0.457 120.004 120.500 -0.065 0.000 2.156 85 R HA 0.059 4.397 4.340 -0.003 0.000 0.207 85 R C 1.653 177.880 176.300 -0.121 0.000 1.040 85 R CA 0.736 56.789 56.100 -0.079 0.000 1.013 85 R CB 0.101 30.349 30.300 -0.086 0.000 0.931 85 R HN 0.371 nan 8.270 nan 0.000 0.465 86 N N 0.229 118.776 118.700 -0.255 0.000 2.517 86 N HA 0.026 4.764 4.740 -0.003 0.000 0.202 86 N C 0.343 175.715 175.510 -0.229 0.000 1.042 86 N CA 0.167 53.034 53.050 -0.304 0.000 0.952 86 N CB -0.297 37.820 38.487 -0.617 0.000 1.211 86 N HN -0.165 nan 8.380 nan 0.000 0.458 87 V N 3.965 123.701 119.914 -0.297 0.000 2.726 87 V HA -0.118 4.001 4.120 -0.003 0.000 0.304 87 V C 0.383 176.384 176.094 -0.155 0.000 1.115 87 V CA 0.005 62.154 62.300 -0.253 0.000 1.264 87 V CB -0.376 31.178 31.823 -0.448 0.000 0.867 87 V HN 0.275 nan 8.190 nan 0.000 0.498 88 N N 4.673 123.307 118.700 -0.110 0.000 2.418 88 N HA 0.067 4.805 4.740 -0.003 0.000 0.277 88 N C 1.256 176.704 175.510 -0.103 0.000 1.317 88 N CA 1.204 54.220 53.050 -0.057 0.000 0.922 88 N CB 0.673 39.144 38.487 -0.026 0.000 1.194 88 N HN 1.123 nan 8.380 nan 0.000 0.485 89 G N 1.780 110.513 108.800 -0.111 0.000 2.155 89 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.257 89 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.257 89 G C 1.246 175.849 174.900 -0.496 0.000 0.983 89 G CA 0.650 45.528 45.100 -0.370 0.000 0.676 89 G HN 0.693 nan 8.290 nan 0.000 0.528 90 G N 1.176 109.804 108.800 -0.286 0.000 2.459 90 G HA2 0.003 3.962 3.960 -0.003 0.000 0.217 90 G HA3 0.003 3.962 3.960 -0.003 0.000 0.217 90 G C 1.601 176.339 174.900 -0.269 0.000 1.183 90 G CA 1.659 46.618 45.100 -0.235 0.000 0.776 90 G HN 1.281 nan 8.290 nan 0.000 0.552 91 F N 0.146 120.020 119.950 -0.127 0.000 2.141 91 F HA -0.112 4.413 4.527 -0.003 0.000 0.300 91 F C 2.242 177.950 175.800 -0.155 0.000 1.079 91 F CA 1.681 59.568 58.000 -0.188 0.000 1.264 91 F CB -0.471 38.463 39.000 -0.110 0.000 1.011 91 F HN 0.073 nan 8.300 nan 0.000 0.487 92 M N -0.019 118.939 119.600 -1.070 0.000 2.514 92 M HA 0.151 4.629 4.480 -0.003 0.000 0.258 92 M C 1.898 178.095 176.300 -0.172 0.000 1.119 92 M CA 0.678 55.698 55.300 -0.466 0.000 1.111 92 M CB -0.342 31.854 32.600 -0.674 0.000 1.390 92 M HN 0.387 nan 8.290 nan 0.000 0.475 93 L N -1.159 119.938 121.223 -0.210 0.000 2.202 93 L HA -0.070 4.268 4.340 -0.003 0.000 0.205 93 L C 2.638 179.516 176.870 0.013 0.000 1.083 93 L CA 0.394 55.196 54.840 -0.063 0.000 0.790 93 L CB -0.505 41.503 42.059 -0.085 0.000 0.942 93 L HN 0.173 nan 8.230 nan 0.000 0.452 94 R N 0.242 120.712 120.500 -0.049 0.000 2.070 94 R HA -0.211 4.127 4.340 -0.003 0.000 0.232 94 R C 2.323 178.697 176.300 0.123 0.000 1.138 94 R CA 2.017 58.113 56.100 -0.007 0.000 0.936 94 R CB -0.765 29.449 30.300 -0.143 0.000 0.839 94 R HN 0.206 nan 8.270 nan 0.000 0.429 95 Y N 1.030 121.409 120.300 0.131 0.000 2.207 95 Y HA -0.160 4.388 4.550 -0.003 0.000 0.287 95 Y C 2.439 178.414 175.900 0.125 0.000 1.156 95 Y CA 0.905 59.087 58.100 0.138 0.000 1.182 95 Y CB -0.696 37.837 38.460 0.121 0.000 0.979 95 Y HN 0.045 nan 8.280 nan 0.000 0.521 96 L N -1.483 119.898 121.223 0.262 0.000 2.093 96 L HA -0.239 4.099 4.340 -0.003 0.000 0.208 96 L C 2.411 179.467 176.870 0.309 0.000 1.085 96 L CA 1.485 56.465 54.840 0.233 0.000 0.755 96 L CB -0.410 41.756 42.059 0.179 0.000 0.904 96 L HN 0.227 nan 8.230 nan 0.000 0.435 97 H N -0.507 118.662 119.070 0.164 0.000 2.357 97 H HA -0.082 4.472 4.556 -0.003 0.000 0.301 97 H C 2.065 177.502 175.328 0.182 0.000 1.082 97 H CA 1.405 57.531 56.048 0.131 0.000 1.342 97 H CB 0.123 29.935 29.762 0.083 0.000 1.389 97 H HN 0.304 nan 8.280 nan 0.000 0.511 98 A N 0.483 123.450 122.820 0.244 0.000 1.841 98 A HA -0.177 4.141 4.320 -0.003 0.000 0.214 98 A C 2.141 179.887 177.584 0.271 0.000 1.195 98 A CA 1.808 53.991 52.037 0.244 0.000 0.611 98 A CB -0.608 18.586 19.000 0.323 0.000 0.835 98 A HN 0.583 nan 8.150 nan 0.000 0.443 99 N N 0.089 118.990 118.700 0.336 0.000 2.520 99 N HA 0.029 4.767 4.740 -0.003 0.000 0.185 99 N C 1.558 177.316 175.510 0.412 0.000 1.068 99 N CA 0.882 54.182 53.050 0.417 0.000 0.911 99 N CB -0.213 38.540 38.487 0.444 0.000 0.961 99 N HN 0.493 nan 8.380 nan 0.000 0.446 100 G N 0.404 109.369 108.800 0.275 0.000 2.402 100 G HA2 -0.183 3.775 3.960 -0.003 0.000 0.216 100 G HA3 -0.183 3.775 3.960 -0.003 0.000 0.216 100 G C 1.602 176.498 174.900 -0.007 0.000 1.162 100 G CA 0.760 45.879 45.100 0.033 0.000 0.777 100 G HN 0.375 nan 8.290 nan 0.000 0.539 101 A N 0.985 123.826 122.820 0.035 0.000 1.865 101 A HA -0.038 4.281 4.320 -0.003 0.000 0.217 101 A C 2.710 180.366 177.584 0.119 0.000 1.191 101 A CA 2.354 54.407 52.037 0.025 0.000 0.623 101 A CB -0.840 18.187 19.000 0.045 0.000 0.826 101 A HN 0.321 nan 8.150 nan 0.000 0.444 102 S N -0.396 115.515 115.700 0.351 0.000 2.378 102 S HA -0.225 4.243 4.470 -0.003 0.000 0.221 102 S C 1.919 176.830 174.600 0.519 0.000 1.037 102 S CA 1.687 60.279 58.200 0.653 0.000 1.069 102 S CB -0.725 62.926 63.200 0.753 0.000 1.006 102 S HN 0.615 nan 8.310 nan 0.000 0.423 103 L N 1.168 122.569 121.223 0.297 0.000 2.089 103 L HA -0.138 4.200 4.340 -0.003 0.000 0.213 103 L C 1.978 178.941 176.870 0.155 0.000 1.079 103 L CA 1.780 56.703 54.840 0.139 0.000 0.758 103 L CB -0.794 41.121 42.059 -0.239 0.000 0.891 103 L HN 0.244 nan 8.230 nan 0.000 0.433 104 F N -0.499 119.364 119.950 -0.144 0.000 2.126 104 F HA -0.229 4.296 4.527 -0.003 0.000 0.299 104 F C 2.097 177.648 175.800 -0.415 0.000 1.096 104 F CA 1.477 59.287 58.000 -0.318 0.000 1.255 104 F CB -0.841 37.863 39.000 -0.493 0.000 0.997 104 F HN 0.143 nan 8.300 nan 0.000 0.479 105 F N 0.122 120.031 119.950 -0.067 0.000 2.118 105 F HA -0.068 4.457 4.527 -0.003 0.000 0.293 105 F C 2.454 178.275 175.800 0.035 0.000 1.102 105 F CA 1.090 58.934 58.000 -0.261 0.000 1.247 105 F CB -1.017 37.701 39.000 -0.469 0.000 1.017 105 F HN -0.196 nan 8.300 nan 0.000 0.475 106 I N -0.037 120.901 120.570 0.613 0.000 2.381 106 I HA -0.374 3.794 4.170 -0.003 0.000 0.255 106 I C 2.449 178.651 176.117 0.142 0.000 1.140 106 I CA 1.253 62.852 61.300 0.499 0.000 1.404 106 I CB -0.788 37.422 38.000 0.349 0.000 1.075 106 I HN 0.140 nan 8.210 nan 0.000 0.433 107 A N 0.034 122.917 122.820 0.105 0.000 1.878 107 A HA -0.093 4.225 4.320 -0.003 0.000 0.213 107 A C 2.450 180.058 177.584 0.040 0.000 1.192 107 A CA 1.176 53.249 52.037 0.061 0.000 0.619 107 A CB -0.917 18.238 19.000 0.258 0.000 0.837 107 A HN 0.218 nan 8.150 nan 0.000 0.446 108 V N -0.939 118.954 119.914 -0.035 0.000 2.594 108 V HA -0.223 3.896 4.120 -0.003 0.000 0.253 108 V C 2.255 178.314 176.094 -0.057 0.000 1.069 108 V CA 1.896 64.148 62.300 -0.080 0.000 1.082 108 V CB -0.803 30.842 31.823 -0.298 0.000 0.680 108 V HN 0.627 nan 8.190 nan 0.000 0.469 109 Y N -0.230 120.152 120.300 0.137 0.000 2.184 109 Y HA -0.036 4.513 4.550 -0.003 0.000 0.290 109 Y C 2.271 178.235 175.900 0.108 0.000 1.129 109 Y CA 1.284 59.456 58.100 0.119 0.000 1.144 109 Y CB -0.726 37.917 38.460 0.305 0.000 0.995 109 Y HN 0.156 nan 8.280 nan 0.000 0.513 110 L N -0.960 120.321 121.223 0.097 0.000 2.042 110 L HA -0.277 4.061 4.340 -0.003 0.000 0.210 110 L C 2.465 179.316 176.870 -0.033 0.000 1.076 110 L CA 1.841 56.577 54.840 -0.174 0.000 0.749 110 L CB -0.584 40.865 42.059 -1.016 0.000 0.893 110 L HN 0.288 nan 8.230 nan 0.000 0.432 111 H N 0.286 119.313 119.070 -0.070 0.000 2.321 111 H HA -0.150 4.405 4.556 -0.003 0.000 0.300 111 H C 2.151 177.518 175.328 0.065 0.000 1.087 111 H CA 1.851 57.943 56.048 0.073 0.000 1.319 111 H CB -0.060 29.763 29.762 0.102 0.000 1.379 111 H HN 0.176 nan 8.280 nan 0.000 0.501 112 I N -0.715 119.849 120.570 -0.011 0.000 2.142 112 I HA -0.279 3.889 4.170 -0.003 0.000 0.240 112 I C 1.839 177.942 176.117 -0.023 0.000 1.078 112 I CA 1.253 62.493 61.300 -0.100 0.000 1.343 112 I CB -0.359 37.496 38.000 -0.242 0.000 1.046 112 I HN 0.183 nan 8.210 nan 0.000 0.405 113 F N 0.685 120.686 119.950 0.084 0.000 2.171 113 F HA -0.190 4.335 4.527 -0.003 0.000 0.300 113 F C 2.634 178.594 175.800 0.267 0.000 1.090 113 F CA 1.220 59.296 58.000 0.127 0.000 1.293 113 F CB -0.548 38.451 39.000 -0.002 0.000 1.013 113 F HN -0.012 nan 8.300 nan 0.000 0.486 114 R N 1.206 121.904 120.500 0.329 0.000 2.091 114 R HA -0.137 4.201 4.340 -0.003 0.000 0.238 114 R C 2.331 178.805 176.300 0.290 0.000 1.136 114 R CA 1.717 57.985 56.100 0.280 0.000 0.959 114 R CB -1.408 28.935 30.300 0.073 0.000 0.856 114 R HN 0.380 nan 8.270 nan 0.000 0.437 115 G N 1.320 110.234 108.800 0.191 0.000 2.433 115 G HA2 -0.211 3.747 3.960 -0.003 0.000 0.216 115 G HA3 -0.211 3.747 3.960 -0.003 0.000 0.216 115 G C 1.813 176.919 174.900 0.343 0.000 1.186 115 G CA 0.755 46.001 45.100 0.244 0.000 0.779 115 G HN 0.316 nan 8.290 nan 0.000 0.543 116 L N -1.009 120.474 121.223 0.433 0.000 2.043 116 L HA -0.168 4.170 4.340 -0.003 0.000 0.212 116 L C 2.618 179.893 176.870 0.676 0.000 1.075 116 L CA 1.610 56.791 54.840 0.568 0.000 0.752 116 L CB -0.492 41.825 42.059 0.431 0.000 0.891 116 L HN 0.316 nan 8.230 nan 0.000 0.432 117 Y N -0.320 120.225 120.300 0.408 0.000 2.184 117 Y HA -0.237 4.311 4.550 -0.003 0.000 0.290 117 Y C 1.964 177.649 175.900 -0.359 0.000 1.129 117 Y CA 1.448 59.438 58.100 -0.183 0.000 1.144 117 Y CB -0.241 37.743 38.460 -0.793 0.000 0.995 117 Y HN 0.045 nan 8.280 nan 0.000 0.513 118 Y N 0.241 120.629 120.300 0.146 0.000 2.462 118 Y HA 0.261 4.809 4.550 -0.003 0.000 0.293 118 Y C 1.684 177.454 175.900 -0.217 0.000 1.195 118 Y CA 0.234 58.341 58.100 0.013 0.000 1.276 118 Y CB -0.172 38.409 38.460 0.203 0.000 1.082 118 Y HN 0.262 nan 8.280 nan 0.000 0.514 119 G N -0.164 108.436 108.800 -0.335 0.000 2.249 119 G HA2 -0.344 3.614 3.960 -0.003 0.000 0.273 119 G HA3 -0.344 3.614 3.960 -0.003 0.000 0.273 119 G C 1.107 175.582 174.900 -0.708 0.000 1.036 119 G CA 0.680 45.259 45.100 -0.869 0.000 0.824 119 G HN 0.390 nan 8.290 nan 0.000 0.504 120 S N -0.961 114.502 115.700 -0.396 0.000 2.507 120 S HA -0.010 4.458 4.470 -0.003 0.000 0.235 120 S C 1.775 176.260 174.600 -0.191 0.000 0.988 120 S CA 1.565 59.663 58.200 -0.169 0.000 0.944 120 S CB -0.268 62.925 63.200 -0.012 0.000 0.762 120 S HN 0.952 nan 8.310 nan 0.000 0.526 121 Y N 0.254 120.374 120.300 -0.300 0.000 2.497 121 Y HA 0.481 5.029 4.550 -0.003 0.000 0.265 121 Y C 0.470 176.117 175.900 -0.422 0.000 1.111 121 Y CA -0.727 57.064 58.100 -0.515 0.000 1.288 121 Y CB -0.308 37.263 38.460 -1.481 0.000 1.082 121 Y HN -0.117 nan 8.280 nan 0.000 0.536 122 K N 2.048 122.038 120.400 -0.684 0.000 2.298 122 K HA 0.489 4.808 4.320 -0.003 0.000 0.280 122 K C 0.409 176.849 176.600 -0.266 0.000 1.032 122 K CA -0.086 55.952 56.287 -0.415 0.000 0.958 122 K CB 0.826 33.047 32.500 -0.464 0.000 0.978 122 K HN 0.366 nan 8.250 nan 0.000 0.472 123 A N 4.566 127.257 122.820 -0.215 0.000 2.642 123 A HA -0.064 4.255 4.320 -0.003 0.000 0.228 123 A C -1.241 176.282 177.584 -0.101 0.000 1.045 123 A CA -0.371 51.585 52.037 -0.136 0.000 0.760 123 A CB -0.247 18.683 19.000 -0.117 0.000 0.958 123 A HN 0.676 nan 8.150 nan 0.000 0.505 124 P HA -0.002 nan 4.420 nan 0.000 0.249 124 P C 0.426 177.719 177.300 -0.012 0.000 1.229 124 P CA 0.447 63.527 63.100 -0.032 0.000 0.788 124 P CB 0.085 31.776 31.700 -0.013 0.000 1.072 125 R N 0.668 121.159 120.500 -0.015 0.000 2.526 125 R HA 0.038 4.376 4.340 -0.003 0.000 0.223 125 R C 1.351 177.702 176.300 0.085 0.000 1.250 125 R CA 0.235 56.362 56.100 0.045 0.000 1.227 125 R CB -0.615 29.713 30.300 0.046 0.000 1.109 125 R HN 0.326 nan 8.270 nan 0.000 0.499 126 E N -0.084 120.134 120.200 0.029 0.000 2.204 126 E HA -0.130 4.218 4.350 -0.003 0.000 0.194 126 E C 1.498 178.221 176.600 0.204 0.000 0.989 126 E CA 0.946 57.371 56.400 0.041 0.000 0.824 126 E CB 0.198 29.843 29.700 -0.091 0.000 0.756 126 E HN 0.136 nan 8.360 nan 0.000 0.477 127 V N 0.550 120.564 119.914 0.168 0.000 2.446 127 V HA -0.177 3.941 4.120 -0.003 0.000 0.244 127 V C 2.152 178.376 176.094 0.217 0.000 1.039 127 V CA 1.815 64.219 62.300 0.174 0.000 1.045 127 V CB -0.556 31.316 31.823 0.083 0.000 0.681 127 V HN 0.292 nan 8.190 nan 0.000 0.459 128 T N -0.434 114.262 114.554 0.237 0.000 2.685 128 T HA -0.295 4.053 4.350 -0.003 0.000 0.268 128 T C 1.546 176.481 174.700 0.392 0.000 1.034 128 T CA 2.062 64.365 62.100 0.339 0.000 1.149 128 T CB -0.370 68.687 68.868 0.313 0.000 0.860 128 T HN 0.693 nan 8.240 nan 0.000 0.449 129 W N 1.418 122.820 121.300 0.170 0.000 2.354 129 W HA -0.096 4.562 4.660 -0.003 0.000 0.315 129 W C 1.935 178.527 176.519 0.122 0.000 1.206 129 W CA 0.963 58.391 57.345 0.138 0.000 1.290 129 W CB -0.475 29.056 29.460 0.118 0.000 1.152 129 W HN 0.248 nan 8.180 nan 0.000 0.489 130 I N 0.310 121.009 120.570 0.215 0.000 2.226 130 I HA -0.326 3.842 4.170 -0.003 0.000 0.245 130 I C 2.319 178.435 176.117 -0.001 0.000 1.100 130 I CA 1.220 62.586 61.300 0.110 0.000 1.374 130 I CB -0.970 37.167 38.000 0.229 0.000 1.057 130 I HN -0.243 nan 8.210 nan 0.000 0.413 131 V N 0.993 120.936 119.914 0.047 0.000 2.295 131 V HA -0.228 3.890 4.120 -0.003 0.000 0.246 131 V C 2.610 178.627 176.094 -0.128 0.000 1.049 131 V CA 2.228 64.538 62.300 0.018 0.000 1.024 131 V CB -1.443 30.452 31.823 0.119 0.000 0.648 131 V HN 0.579 nan 8.190 nan 0.000 0.447 132 G N -0.867 107.789 108.800 -0.240 0.000 2.442 132 G HA2 -0.344 3.615 3.960 -0.003 0.000 0.219 132 G HA3 -0.344 3.615 3.960 -0.003 0.000 0.219 132 G C 1.552 176.240 174.900 -0.354 0.000 1.141 132 G CA 1.312 46.120 45.100 -0.486 0.000 0.763 132 G HN 0.383 nan 8.290 nan 0.000 0.554 133 M N 0.277 119.657 119.600 -0.368 0.000 2.117 133 M HA 0.137 4.616 4.480 -0.003 0.000 0.262 133 M C 2.393 178.641 176.300 -0.087 0.000 1.065 133 M CA 1.057 56.199 55.300 -0.264 0.000 1.114 133 M CB -0.550 31.888 32.600 -0.270 0.000 1.361 133 M HN 0.203 nan 8.290 nan 0.000 0.408 134 L N -1.135 120.038 121.223 -0.084 0.000 2.017 134 L HA -0.227 4.112 4.340 -0.003 0.000 0.208 134 L C 2.305 179.137 176.870 -0.063 0.000 1.073 134 L CA 1.231 56.041 54.840 -0.050 0.000 0.745 134 L CB -0.675 41.366 42.059 -0.030 0.000 0.894 134 L HN 0.266 nan 8.230 nan 0.000 0.432 135 I N -1.309 119.207 120.570 -0.090 0.000 2.194 135 I HA -0.376 3.792 4.170 -0.003 0.000 0.246 135 I C 2.545 178.600 176.117 -0.102 0.000 1.093 135 I CA 1.496 62.735 61.300 -0.102 0.000 1.355 135 I CB -0.358 37.553 38.000 -0.148 0.000 1.046 135 I HN 0.230 nan 8.210 nan 0.000 0.413 136 Y N 0.954 121.125 120.300 -0.215 0.000 2.181 136 Y HA -0.259 4.290 4.550 -0.003 0.000 0.288 136 Y C 2.242 178.070 175.900 -0.121 0.000 1.146 136 Y CA 1.434 59.416 58.100 -0.196 0.000 1.164 136 Y CB -0.364 37.986 38.460 -0.185 0.000 0.982 136 Y HN 0.021 nan 8.280 nan 0.000 0.515 137 L N 0.240 121.334 121.223 -0.216 0.000 2.046 137 L HA -0.118 4.220 4.340 -0.003 0.000 0.208 137 L C 2.600 179.354 176.870 -0.194 0.000 1.077 137 L CA 2.071 56.762 54.840 -0.248 0.000 0.747 137 L CB -1.411 40.589 42.059 -0.099 0.000 0.896 137 L HN 0.293 nan 8.230 nan 0.000 0.432 138 A N -1.219 121.520 122.820 -0.136 0.000 1.902 138 A HA -0.258 4.060 4.320 -0.003 0.000 0.217 138 A C 2.304 179.816 177.584 -0.119 0.000 1.181 138 A CA 2.053 54.032 52.037 -0.096 0.000 0.623 138 A CB -0.514 18.441 19.000 -0.076 0.000 0.818 138 A HN 0.449 nan 8.150 nan 0.000 0.443 139 M N -0.936 118.538 119.600 -0.211 0.000 2.073 139 M HA -0.245 4.233 4.480 -0.003 0.000 0.258 139 M C 2.444 178.696 176.300 -0.080 0.000 1.070 139 M CA 2.187 57.310 55.300 -0.296 0.000 1.103 139 M CB -0.542 31.703 32.600 -0.591 0.000 1.321 139 M HN 0.475 nan 8.290 nan 0.000 0.405 140 M N -0.449 119.131 119.600 -0.033 0.000 2.067 140 M HA -0.140 4.338 4.480 -0.003 0.000 0.260 140 M C 2.529 178.958 176.300 0.214 0.000 1.069 140 M CA 1.734 57.153 55.300 0.197 0.000 1.117 140 M CB -0.895 31.657 32.600 -0.079 0.000 1.334 140 M HN 0.367 nan 8.290 nan 0.000 0.407 141 A N 0.590 123.453 122.820 0.071 0.000 1.903 141 A HA -0.206 4.112 4.320 -0.003 0.000 0.219 141 A C 2.267 179.959 177.584 0.181 0.000 1.191 141 A CA 2.650 54.764 52.037 0.129 0.000 0.638 141 A CB -1.374 17.653 19.000 0.045 0.000 0.823 141 A HN 0.521 nan 8.150 nan 0.000 0.451 142 T N 0.226 114.850 114.554 0.118 0.000 2.614 142 T HA -0.028 4.320 4.350 -0.003 0.000 0.263 142 T C 2.248 177.092 174.700 0.239 0.000 1.055 142 T CA 1.991 64.188 62.100 0.162 0.000 1.162 142 T CB -0.741 68.170 68.868 0.073 0.000 0.863 142 T HN 0.706 nan 8.240 nan 0.000 0.414 143 A N 1.026 123.983 122.820 0.228 0.000 2.104 143 A HA -0.146 4.172 4.320 -0.003 0.000 0.223 143 A C 1.958 179.738 177.584 0.327 0.000 1.164 143 A CA 1.792 53.972 52.037 0.239 0.000 0.659 143 A CB -0.954 18.176 19.000 0.216 0.000 0.808 143 A HN 0.539 nan 8.150 nan 0.000 0.465 144 F N -0.091 120.012 119.950 0.256 0.000 2.074 144 F HA -0.021 4.504 4.527 -0.003 0.000 0.290 144 F C 2.213 178.109 175.800 0.161 0.000 1.118 144 F CA 1.723 59.888 58.000 0.275 0.000 1.199 144 F CB -0.728 38.388 39.000 0.192 0.000 1.012 144 F HN 0.156 nan 8.300 nan 0.000 0.472 145 M N 0.677 119.935 119.600 -0.570 0.000 2.106 145 M HA -0.154 4.325 4.480 -0.003 0.000 0.259 145 M C 2.440 178.481 176.300 -0.431 0.000 1.068 145 M CA 1.861 56.758 55.300 -0.673 0.000 1.100 145 M CB -1.458 30.846 32.600 -0.494 0.000 1.351 145 M HN 0.422 nan 8.290 nan 0.000 0.404 146 G N -0.644 107.776 108.800 -0.633 0.000 2.459 146 G HA2 -0.296 3.663 3.960 -0.003 0.000 0.217 146 G HA3 -0.296 3.663 3.960 -0.003 0.000 0.217 146 G C 1.293 176.068 174.900 -0.208 0.000 1.183 146 G CA 0.844 45.422 45.100 -0.870 0.000 0.776 146 G HN 0.428 nan 8.290 nan 0.000 0.552 147 Y N 0.990 121.209 120.300 -0.135 0.000 2.365 147 Y HA -0.107 4.441 4.550 -0.003 0.000 0.287 147 Y C 2.828 178.746 175.900 0.031 0.000 1.162 147 Y CA 1.097 59.196 58.100 -0.001 0.000 1.260 147 Y CB -0.045 38.464 38.460 0.081 0.000 0.976 147 Y HN 0.056 nan 8.280 nan 0.000 0.548 148 V N -0.273 119.663 119.914 0.038 0.000 2.548 148 V HA -0.288 3.831 4.120 -0.003 0.000 0.249 148 V C 2.338 178.569 176.094 0.229 0.000 1.055 148 V CA 1.520 63.892 62.300 0.119 0.000 1.065 148 V CB -0.595 31.344 31.823 0.193 0.000 0.681 148 V HN 0.391 nan 8.190 nan 0.000 0.462 149 L N 0.069 121.361 121.223 0.116 0.000 2.051 149 L HA -0.184 4.154 4.340 -0.003 0.000 0.214 149 L C -0.040 176.984 176.870 0.258 0.000 1.076 149 L CA 1.911 56.831 54.840 0.134 0.000 0.758 149 L CB -2.009 39.934 42.059 -0.193 0.000 0.890 149 L HN 0.357 nan 8.230 nan 0.000 0.433 150 P HA -0.216 nan 4.420 nan 0.000 0.225 150 P C 0.172 177.790 177.300 0.530 0.000 1.148 150 P CA 0.822 64.090 63.100 0.280 0.000 0.779 150 P CB -0.049 31.715 31.700 0.107 0.000 0.780 151 W N -0.532 120.846 121.300 0.130 0.000 5.721 151 W HA -0.159 4.499 4.660 -0.003 0.000 0.406 151 W C 0.119 176.660 176.519 0.037 0.000 1.576 151 W CA 0.104 57.507 57.345 0.097 0.000 0.977 151 W CB -1.336 28.193 29.460 0.115 0.000 2.771 151 W HN -0.049 nan 8.180 nan 0.000 1.435 152 G N 0.473 109.284 108.800 0.017 0.000 2.671 152 G HA2 0.243 4.202 3.960 -0.003 0.000 0.275 152 G HA3 0.243 4.202 3.960 -0.003 0.000 0.275 152 G C 0.517 175.298 174.900 -0.199 0.000 1.368 152 G CA 0.041 45.067 45.100 -0.123 0.000 1.044 152 G HN 0.170 nan 8.290 nan 0.000 0.543 153 Q N -0.911 118.822 119.800 -0.111 0.000 2.020 153 Q HA -0.089 4.250 4.340 -0.003 0.000 0.202 153 Q C 2.827 178.890 176.000 0.104 0.000 0.982 153 Q CA 1.202 57.016 55.803 0.017 0.000 0.838 153 Q CB -0.344 28.440 28.738 0.077 0.000 0.899 153 Q HN 0.446 nan 8.270 nan 0.000 0.423 154 M N 0.354 119.973 119.600 0.031 0.000 2.108 154 M HA -0.123 4.355 4.480 -0.003 0.000 0.261 154 M C 2.226 178.602 176.300 0.126 0.000 1.066 154 M CA 1.248 56.615 55.300 0.112 0.000 1.107 154 M CB -1.418 31.307 32.600 0.208 0.000 1.356 154 M HN 0.022 nan 8.290 nan 0.000 0.406 155 S N 0.780 116.433 115.700 -0.078 0.000 2.359 155 S HA -0.183 4.285 4.470 -0.003 0.000 0.222 155 S C 1.760 176.278 174.600 -0.137 0.000 1.038 155 S CA 1.593 59.736 58.200 -0.096 0.000 1.051 155 S CB -0.670 62.450 63.200 -0.133 0.000 0.944 155 S HN 0.437 nan 8.310 nan 0.000 0.433 156 F N 0.668 120.287 119.950 -0.552 0.000 2.102 156 F HA -0.095 4.430 4.527 -0.003 0.000 0.298 156 F C 1.835 177.244 175.800 -0.653 0.000 1.105 156 F CA 1.252 58.714 58.000 -0.897 0.000 1.239 156 F CB -0.490 37.753 39.000 -1.262 0.000 0.991 156 F HN 0.247 nan 8.300 nan 0.000 0.474 157 W N -0.087 121.116 121.300 -0.163 0.000 2.453 157 W HA 0.118 4.776 4.660 -0.003 0.000 0.289 157 W C 2.659 179.128 176.519 -0.083 0.000 1.215 157 W CA 0.913 58.157 57.345 -0.168 0.000 1.297 157 W CB -1.122 28.320 29.460 -0.031 0.000 1.113 157 W HN 0.074 nan 8.180 nan 0.000 0.551 158 G N 0.531 109.462 108.800 0.218 0.000 2.422 158 G HA2 -0.212 3.746 3.960 -0.003 0.000 0.218 158 G HA3 -0.212 3.746 3.960 -0.003 0.000 0.218 158 G C 1.656 176.752 174.900 0.327 0.000 1.146 158 G CA 1.260 46.517 45.100 0.261 0.000 0.769 158 G HN 0.282 nan 8.290 nan 0.000 0.547 159 A N 0.201 123.179 122.820 0.264 0.000 1.930 159 A HA 0.020 4.338 4.320 -0.003 0.000 0.217 159 A C 2.519 180.174 177.584 0.119 0.000 1.175 159 A CA 2.342 54.581 52.037 0.336 0.000 0.627 159 A CB -0.772 18.250 19.000 0.037 0.000 0.815 159 A HN 0.289 nan 8.150 nan 0.000 0.443 160 T N -0.528 113.947 114.554 -0.132 0.000 2.737 160 T HA -0.098 4.250 4.350 -0.003 0.000 0.265 160 T C 1.901 176.647 174.700 0.077 0.000 1.038 160 T CA 1.605 63.640 62.100 -0.108 0.000 1.144 160 T CB -0.367 68.422 68.868 -0.132 0.000 0.866 160 T HN 0.140 nan 8.240 nan 0.000 0.434 161 V N 0.979 120.961 119.914 0.114 0.000 2.307 161 V HA -0.094 4.024 4.120 -0.003 0.000 0.245 161 V C 2.354 178.483 176.094 0.060 0.000 1.045 161 V CA 1.369 63.728 62.300 0.098 0.000 1.024 161 V CB -0.499 31.378 31.823 0.090 0.000 0.651 161 V HN 0.364 nan 8.190 nan 0.000 0.449 162 I N 0.900 121.479 120.570 0.016 0.000 2.315 162 I HA -0.202 3.967 4.170 -0.003 0.000 0.248 162 I C 2.590 178.801 176.117 0.156 0.000 1.117 162 I CA 2.087 63.320 61.300 -0.111 0.000 1.404 162 I CB -0.710 36.879 38.000 -0.686 0.000 1.071 162 I HN 0.471 nan 8.210 nan 0.000 0.419 163 T N -2.061 112.658 114.554 0.275 0.000 3.035 163 T HA -0.005 4.343 4.350 -0.003 0.000 0.268 163 T C 2.052 176.969 174.700 0.362 0.000 1.109 163 T CA 0.784 63.121 62.100 0.395 0.000 1.119 163 T CB -0.970 68.080 68.868 0.304 0.000 0.900 163 T HN 0.400 nan 8.240 nan 0.000 0.503 164 G N 2.064 110.997 108.800 0.222 0.000 2.408 164 G HA2 -0.043 3.916 3.960 -0.003 0.000 0.217 164 G HA3 -0.043 3.916 3.960 -0.003 0.000 0.217 164 G C 1.440 176.423 174.900 0.138 0.000 1.150 164 G CA 0.490 45.693 45.100 0.171 0.000 0.776 164 G HN 0.526 nan 8.290 nan 0.000 0.542 165 L N -0.621 120.638 121.223 0.061 0.000 2.137 165 L HA -0.118 4.220 4.340 -0.003 0.000 0.213 165 L C 2.480 179.235 176.870 -0.191 0.000 1.085 165 L CA 0.931 55.718 54.840 -0.088 0.000 0.760 165 L CB -0.485 41.435 42.059 -0.231 0.000 0.893 165 L HN 0.163 nan 8.230 nan 0.000 0.434 166 F N -0.486 119.538 119.950 0.123 0.000 2.615 166 F HA 0.065 4.591 4.527 -0.003 0.000 0.297 166 F C 2.378 178.227 175.800 0.081 0.000 1.124 166 F CA 0.714 58.774 58.000 0.099 0.000 1.451 166 F CB -0.672 38.392 39.000 0.105 0.000 1.103 166 F HN -0.031 nan 8.300 nan 0.000 0.569 167 G N -0.341 108.590 108.800 0.218 0.000 2.534 167 G HA2 -0.028 3.930 3.960 -0.003 0.000 0.217 167 G HA3 -0.028 3.930 3.960 -0.003 0.000 0.217 167 G C 1.814 176.762 174.900 0.080 0.000 1.128 167 G CA 0.693 45.896 45.100 0.173 0.000 0.784 167 G HN 0.388 nan 8.290 nan 0.000 0.542 168 A N 0.463 123.316 122.820 0.056 0.000 1.970 168 A HA 0.295 4.613 4.320 -0.003 0.000 0.216 168 A C 1.128 178.582 177.584 -0.217 0.000 1.170 168 A CA -0.045 52.005 52.037 0.023 0.000 0.645 168 A CB -0.190 18.908 19.000 0.162 0.000 0.816 168 A HN 0.307 nan 8.150 nan 0.000 0.447 169 I N 1.601 122.052 120.570 -0.198 0.000 2.741 169 I HA 0.046 4.215 4.170 -0.003 0.000 0.288 169 I C -2.251 173.620 176.117 -0.411 0.000 1.192 169 I CA -1.260 59.800 61.300 -0.400 0.000 1.426 169 I CB 0.326 38.249 38.000 -0.128 0.000 1.367 169 I HN 0.068 nan 8.210 nan 0.000 0.563 170 P HA 0.070 nan 4.420 nan 0.000 0.265 170 P C 0.891 178.080 177.300 -0.184 0.000 1.193 170 P CA 0.870 63.754 63.100 -0.359 0.000 0.765 170 P CB 0.859 32.335 31.700 -0.373 0.000 0.823 171 G N 4.012 112.745 108.800 -0.112 0.000 5.306 171 G HA2 -0.409 3.550 3.960 -0.003 0.000 0.318 171 G HA3 -0.409 3.550 3.960 -0.003 0.000 0.318 171 G C 1.131 176.009 174.900 -0.037 0.000 1.413 171 G CA 0.498 45.559 45.100 -0.065 0.000 0.981 171 G HN 0.591 nan 8.290 nan 0.000 0.788 172 I N 0.308 120.849 120.570 -0.048 0.000 2.286 172 I HA 0.163 4.331 4.170 -0.003 0.000 0.248 172 I C 2.694 178.813 176.117 0.005 0.000 1.115 172 I CA 2.189 63.471 61.300 -0.031 0.000 1.392 172 I CB -1.243 36.725 38.000 -0.054 0.000 1.065 172 I HN 0.734 nan 8.210 nan 0.000 0.418 173 G N 1.058 109.857 108.800 -0.002 0.000 2.728 173 G HA2 -0.413 3.545 3.960 -0.003 0.000 0.224 173 G HA3 -0.413 3.545 3.960 -0.003 0.000 0.224 173 G C 1.696 176.681 174.900 0.141 0.000 1.123 173 G CA 1.796 46.929 45.100 0.055 0.000 0.755 173 G HN 0.725 nan 8.290 nan 0.000 0.622 174 H N -0.020 119.065 119.070 0.026 0.000 2.428 174 H HA 0.023 4.577 4.556 -0.003 0.000 0.296 174 H C 2.733 178.100 175.328 0.065 0.000 1.062 174 H CA 1.079 57.157 56.048 0.050 0.000 1.350 174 H CB 0.307 30.089 29.762 0.033 0.000 1.403 174 H HN 0.426 nan 8.280 nan 0.000 0.533 175 S N 0.850 116.569 115.700 0.032 0.000 2.345 175 S HA -0.110 4.359 4.470 -0.003 0.000 0.220 175 S C 2.214 176.820 174.600 0.010 0.000 1.031 175 S CA 0.900 59.083 58.200 -0.028 0.000 0.996 175 S CB -0.079 63.100 63.200 -0.035 0.000 0.882 175 S HN 0.321 nan 8.310 nan 0.000 0.445 176 I N 2.068 122.654 120.570 0.026 0.000 2.236 176 I HA -0.236 3.932 4.170 -0.003 0.000 0.249 176 I C 2.554 178.795 176.117 0.206 0.000 1.102 176 I CA 1.528 62.877 61.300 0.081 0.000 1.365 176 I CB -1.421 36.651 38.000 0.120 0.000 1.051 176 I HN 0.431 nan 8.210 nan 0.000 0.420 177 Q N 0.276 120.175 119.800 0.164 0.000 2.049 177 Q HA -0.152 4.186 4.340 -0.003 0.000 0.198 177 Q C 2.259 178.311 176.000 0.087 0.000 0.971 177 Q CA 1.977 57.876 55.803 0.161 0.000 0.833 177 Q CB 0.073 28.916 28.738 0.175 0.000 0.896 177 Q HN 0.390 nan 8.270 nan 0.000 0.434 178 T N 0.237 114.772 114.554 -0.032 0.000 2.665 178 T HA -0.221 4.127 4.350 -0.003 0.000 0.268 178 T C 0.927 175.681 174.700 0.090 0.000 1.035 178 T CA 1.646 63.719 62.100 -0.044 0.000 1.151 178 T CB -0.482 68.296 68.868 -0.150 0.000 0.862 178 T HN 0.549 nan 8.240 nan 0.000 0.438 179 W N 1.529 122.787 121.300 -0.071 0.000 2.335 179 W HA -0.113 4.546 4.660 -0.003 0.000 0.311 179 W C 1.837 178.341 176.519 -0.025 0.000 1.213 179 W CA 1.065 58.383 57.345 -0.045 0.000 1.274 179 W CB -0.632 28.799 29.460 -0.049 0.000 1.148 179 W HN 0.183 nan 8.180 nan 0.000 0.498 180 L N 0.150 121.441 121.223 0.114 0.000 2.042 180 L HA -0.250 4.088 4.340 -0.003 0.000 0.210 180 L C 2.384 179.212 176.870 -0.070 0.000 1.076 180 L CA 1.409 56.192 54.840 -0.096 0.000 0.749 180 L CB -0.904 41.182 42.059 0.045 0.000 0.893 180 L HN 0.115 nan 8.230 nan 0.000 0.432 181 L N -0.893 120.317 121.223 -0.021 0.000 2.418 181 L HA 0.075 4.413 4.340 -0.003 0.000 0.218 181 L C 1.678 178.498 176.870 -0.085 0.000 1.125 181 L CA 0.586 55.394 54.840 -0.054 0.000 0.835 181 L CB -0.569 41.482 42.059 -0.014 0.000 0.953 181 L HN 0.486 nan 8.230 nan 0.000 0.454 182 G N 0.079 108.828 108.800 -0.085 0.000 2.180 182 G HA2 -0.216 3.742 3.960 -0.003 0.000 0.263 182 G HA3 -0.216 3.742 3.960 -0.003 0.000 0.263 182 G C 0.452 175.327 174.900 -0.042 0.000 0.989 182 G CA 0.310 45.362 45.100 -0.080 0.000 0.692 182 G HN 0.657 nan 8.290 nan 0.000 0.526 183 G N -1.604 107.180 108.800 -0.027 0.000 2.570 183 G HA2 0.720 4.678 3.960 -0.003 0.000 0.310 183 G HA3 0.720 4.678 3.960 -0.003 0.000 0.310 183 G C -2.268 172.634 174.900 0.003 0.000 1.266 183 G CA 0.344 45.438 45.100 -0.010 0.000 0.825 183 G HN 0.255 nan 8.290 nan 0.000 0.483 184 P HA 0.433 nan 4.420 nan 0.000 0.255 184 P C 0.082 177.418 177.300 0.059 0.000 1.248 184 P CA 0.943 64.071 63.100 0.047 0.000 0.807 184 P CB 0.890 32.624 31.700 0.057 0.000 1.150 185 A N -0.995 121.849 122.820 0.041 0.000 2.586 185 A HA 0.381 4.699 4.320 -0.003 0.000 0.291 185 A C -1.129 176.463 177.584 0.012 0.000 1.062 185 A CA -0.536 51.526 52.037 0.042 0.000 0.666 185 A CB 0.900 19.946 19.000 0.076 0.000 1.281 185 A HN -0.203 nan 8.150 nan 0.000 0.421 186 V N 2.202 122.087 119.914 -0.047 0.000 2.425 186 V HA 0.306 4.425 4.120 -0.003 0.000 0.276 186 V C 0.148 176.327 176.094 0.141 0.000 1.017 186 V CA 1.387 63.635 62.300 -0.087 0.000 1.062 186 V CB 0.115 31.686 31.823 -0.419 0.000 0.997 186 V HN 0.977 nan 8.190 nan 0.000 0.476 187 D N 3.312 123.789 120.400 0.130 0.000 2.837 187 D HA 0.244 4.882 4.640 -0.003 0.000 0.294 187 D C 1.039 177.343 176.300 0.006 0.000 1.158 187 D CA -0.599 53.502 54.000 0.168 0.000 1.073 187 D CB 1.082 41.916 40.800 0.057 0.000 1.419 187 D HN 0.230 nan 8.370 nan 0.000 0.584 188 N N -0.245 118.365 118.700 -0.151 0.000 2.036 188 N HA -0.204 4.534 4.740 -0.003 0.000 0.195 188 N C 1.603 176.948 175.510 -0.275 0.000 1.037 188 N CA 2.476 55.306 53.050 -0.365 0.000 0.855 188 N CB -0.327 37.894 38.487 -0.443 0.000 1.033 188 N HN 0.378 nan 8.380 nan 0.000 0.423 189 A N -1.109 121.602 122.820 -0.182 0.000 2.042 189 A HA -0.208 4.110 4.320 -0.003 0.000 0.222 189 A C 2.179 179.657 177.584 -0.175 0.000 1.167 189 A CA 2.309 54.258 52.037 -0.147 0.000 0.649 189 A CB -1.098 17.840 19.000 -0.105 0.000 0.809 189 A HN 0.524 nan 8.150 nan 0.000 0.457 190 T N -0.482 113.934 114.554 -0.230 0.000 2.814 190 T HA -0.021 4.328 4.350 -0.003 0.000 0.254 190 T C 1.821 176.212 174.700 -0.515 0.000 1.037 190 T CA 1.027 62.890 62.100 -0.396 0.000 1.143 190 T CB -0.468 68.146 68.868 -0.424 0.000 0.866 190 T HN 0.334 nan 8.240 nan 0.000 0.431 191 L N 2.185 123.163 121.223 -0.408 0.000 2.021 191 L HA -0.178 4.160 4.340 -0.003 0.000 0.215 191 L C 1.948 178.758 176.870 -0.100 0.000 1.074 191 L CA 1.959 56.598 54.840 -0.335 0.000 0.760 191 L CB -1.130 40.491 42.059 -0.729 0.000 0.889 191 L HN 0.289 nan 8.230 nan 0.000 0.433 192 N N -0.739 117.886 118.700 -0.125 0.000 2.043 192 N HA -0.268 4.471 4.740 -0.003 0.000 0.193 192 N C 2.002 177.592 175.510 0.133 0.000 1.037 192 N CA 1.654 54.711 53.050 0.012 0.000 0.851 192 N CB -0.196 38.258 38.487 -0.056 0.000 1.027 192 N HN 0.515 nan 8.380 nan 0.000 0.422 193 R N -0.652 119.889 120.500 0.069 0.000 2.148 193 R HA -0.088 4.251 4.340 -0.003 0.000 0.227 193 R C 1.319 177.786 176.300 0.279 0.000 1.103 193 R CA 1.009 57.182 56.100 0.122 0.000 0.983 193 R CB -0.534 29.788 30.300 0.037 0.000 0.874 193 R HN 0.219 nan 8.270 nan 0.000 0.451 194 F N 0.648 120.613 119.950 0.024 0.000 2.259 194 F HA 0.012 4.537 4.527 -0.003 0.000 0.298 194 F C 1.984 177.842 175.800 0.096 0.000 1.088 194 F CA -0.144 57.868 58.000 0.019 0.000 1.358 194 F CB -0.711 38.276 39.000 -0.022 0.000 1.040 194 F HN -0.054 nan 8.300 nan 0.000 0.505 195 F N 0.235 120.330 119.950 0.242 0.000 2.075 195 F HA -0.188 4.338 4.527 -0.003 0.000 0.297 195 F C 2.754 178.689 175.800 0.226 0.000 1.113 195 F CA 1.761 59.896 58.000 0.225 0.000 1.218 195 F CB -1.015 38.123 39.000 0.231 0.000 0.984 195 F HN -0.091 nan 8.300 nan 0.000 0.472 196 S N 0.161 115.908 115.700 0.079 0.000 2.387 196 S HA -0.180 4.289 4.470 -0.003 0.000 0.230 196 S C 2.088 176.667 174.600 -0.036 0.000 1.035 196 S CA 1.736 59.920 58.200 -0.026 0.000 1.014 196 S CB -0.525 62.713 63.200 0.064 0.000 0.836 196 S HN 0.454 nan 8.310 nan 0.000 0.466 197 L N -0.160 121.067 121.223 0.006 0.000 2.162 197 L HA 0.064 4.402 4.340 -0.003 0.000 0.205 197 L C 2.488 179.344 176.870 -0.023 0.000 1.086 197 L CA 1.223 56.053 54.840 -0.015 0.000 0.778 197 L CB -0.614 41.418 42.059 -0.045 0.000 0.928 197 L HN 0.373 nan 8.230 nan 0.000 0.446 198 H N -0.778 118.217 119.070 -0.125 0.000 2.422 198 H HA -0.253 4.301 4.556 -0.003 0.000 0.298 198 H C 1.993 177.214 175.328 -0.179 0.000 1.098 198 H CA 1.788 57.748 56.048 -0.146 0.000 1.315 198 H CB -0.035 29.650 29.762 -0.129 0.000 1.382 198 H HN 0.245 nan 8.280 nan 0.000 0.523 199 Y N -0.095 119.971 120.300 -0.391 0.000 2.130 199 Y HA -0.112 4.436 4.550 -0.003 0.000 0.287 199 Y C 2.420 178.155 175.900 -0.275 0.000 1.124 199 Y CA 1.392 59.251 58.100 -0.403 0.000 1.118 199 Y CB -0.921 37.307 38.460 -0.387 0.000 0.994 199 Y HN 0.326 nan 8.280 nan 0.000 0.497 200 L N 0.194 121.494 121.223 0.128 0.000 2.013 200 L HA -0.239 4.099 4.340 -0.003 0.000 0.212 200 L C 2.208 179.102 176.870 0.041 0.000 1.073 200 L CA 1.771 56.697 54.840 0.143 0.000 0.753 200 L CB -1.216 40.885 42.059 0.070 0.000 0.890 200 L HN 0.336 nan 8.230 nan 0.000 0.432 201 L N -0.492 120.696 121.223 -0.057 0.000 2.043 201 L HA -0.201 4.137 4.340 -0.003 0.000 0.212 201 L C 0.029 176.817 176.870 -0.136 0.000 1.075 201 L CA 1.815 56.609 54.840 -0.076 0.000 0.752 201 L CB -1.891 40.126 42.059 -0.071 0.000 0.891 201 L HN 0.286 nan 8.230 nan 0.000 0.432 202 P HA -0.171 nan 4.420 nan 0.000 0.218 202 P C 1.368 178.481 177.300 -0.313 0.000 1.148 202 P CA 1.393 64.285 63.100 -0.348 0.000 0.822 202 P CB -0.009 31.373 31.700 -0.531 0.000 0.784 203 F N -1.284 118.660 119.950 -0.011 0.000 2.259 203 F HA -0.112 4.413 4.527 -0.003 0.000 0.298 203 F C 2.270 178.073 175.800 0.004 0.000 1.088 203 F CA 0.806 58.808 58.000 0.002 0.000 1.358 203 F CB -1.615 37.392 39.000 0.012 0.000 1.040 203 F HN -0.248 nan 8.300 nan 0.000 0.505 204 V N 0.315 120.308 119.914 0.132 0.000 2.307 204 V HA -0.279 3.839 4.120 -0.003 0.000 0.245 204 V C 2.403 178.529 176.094 0.053 0.000 1.045 204 V CA 1.549 63.899 62.300 0.083 0.000 1.024 204 V CB -0.636 31.216 31.823 0.048 0.000 0.651 204 V HN 0.253 nan 8.190 nan 0.000 0.449 205 I N 0.638 121.217 120.570 0.014 0.000 2.099 205 I HA -0.306 3.863 4.170 -0.003 0.000 0.239 205 I C 2.805 178.950 176.117 0.047 0.000 1.066 205 I CA 1.732 63.038 61.300 0.010 0.000 1.324 205 I CB -0.792 37.201 38.000 -0.012 0.000 1.037 205 I HN 0.315 nan 8.210 nan 0.000 0.401 206 A N 0.947 123.798 122.820 0.050 0.000 1.915 206 A HA -0.330 3.988 4.320 -0.003 0.000 0.220 206 A C 2.545 180.186 177.584 0.096 0.000 1.198 206 A CA 2.635 54.719 52.037 0.078 0.000 0.647 206 A CB -1.110 17.954 19.000 0.108 0.000 0.825 206 A HN 0.515 nan 8.150 nan 0.000 0.456 207 A N -0.516 122.364 122.820 0.101 0.000 1.883 207 A HA -0.116 4.202 4.320 -0.003 0.000 0.217 207 A C 2.218 179.864 177.584 0.104 0.000 1.186 207 A CA 1.715 53.809 52.037 0.095 0.000 0.624 207 A CB -0.698 18.355 19.000 0.089 0.000 0.822 207 A HN 0.520 nan 8.150 nan 0.000 0.444 208 L N -0.365 120.914 121.223 0.093 0.000 2.046 208 L HA -0.162 4.176 4.340 -0.003 0.000 0.208 208 L C 2.442 179.401 176.870 0.149 0.000 1.077 208 L CA 1.115 56.016 54.840 0.101 0.000 0.747 208 L CB -0.596 41.495 42.059 0.053 0.000 0.896 208 L HN 0.262 nan 8.230 nan 0.000 0.432 209 V N 0.056 120.057 119.914 0.144 0.000 2.568 209 V HA -0.282 3.837 4.120 -0.003 0.000 0.253 209 V C 2.688 178.915 176.094 0.222 0.000 1.072 209 V CA 1.591 64.021 62.300 0.216 0.000 1.084 209 V CB -1.101 30.827 31.823 0.174 0.000 0.676 209 V HN 0.473 nan 8.190 nan 0.000 0.469 210 A N 0.431 123.349 122.820 0.162 0.000 1.855 210 A HA -0.122 4.196 4.320 -0.003 0.000 0.215 210 A C 2.181 179.886 177.584 0.203 0.000 1.191 210 A CA 1.766 53.883 52.037 0.133 0.000 0.613 210 A CB -0.488 18.567 19.000 0.092 0.000 0.829 210 A HN 0.464 nan 8.150 nan 0.000 0.442 211 I N -1.042 119.677 120.570 0.248 0.000 2.286 211 I HA -0.275 3.894 4.170 -0.003 0.000 0.248 211 I C 2.535 178.812 176.117 0.266 0.000 1.115 211 I CA 1.814 63.302 61.300 0.313 0.000 1.392 211 I CB -0.532 37.612 38.000 0.242 0.000 1.065 211 I HN 0.539 nan 8.210 nan 0.000 0.418 212 H N 1.482 120.646 119.070 0.157 0.000 2.319 212 H HA -0.145 4.409 4.556 -0.003 0.000 0.299 212 H C 2.106 177.552 175.328 0.198 0.000 1.092 212 H CA 1.918 58.084 56.048 0.198 0.000 1.302 212 H CB -0.190 29.705 29.762 0.222 0.000 1.373 212 H HN 0.230 nan 8.280 nan 0.000 0.497 213 I N -1.076 119.533 120.570 0.064 0.000 2.202 213 I HA -0.264 3.904 4.170 -0.003 0.000 0.242 213 I C 2.262 178.080 176.117 -0.498 0.000 1.091 213 I CA 1.109 62.130 61.300 -0.465 0.000 1.368 213 I CB -0.461 37.460 38.000 -0.131 0.000 1.058 213 I HN 0.387 nan 8.210 nan 0.000 0.410 214 W N 2.285 123.418 121.300 -0.278 0.000 2.321 214 W HA -0.269 4.389 4.660 -0.003 0.000 0.306 214 W C 2.511 178.949 176.519 -0.135 0.000 1.217 214 W CA 1.736 58.973 57.345 -0.180 0.000 1.257 214 W CB -0.678 28.735 29.460 -0.079 0.000 1.145 214 W HN 0.138 nan 8.180 nan 0.000 0.509 215 A N 0.494 123.271 122.820 -0.072 0.000 1.877 215 A HA -0.170 4.148 4.320 -0.003 0.000 0.216 215 A C 2.005 179.584 177.584 -0.010 0.000 1.186 215 A CA 1.993 53.950 52.037 -0.133 0.000 0.620 215 A CB -1.698 17.294 19.000 -0.012 0.000 0.822 215 A HN 0.550 nan 8.150 nan 0.000 0.443 216 F N -2.149 117.804 119.950 0.005 0.000 2.615 216 F HA 0.121 4.646 4.527 -0.003 0.000 0.297 216 F C 1.872 177.654 175.800 -0.031 0.000 1.124 216 F CA 0.958 58.937 58.000 -0.034 0.000 1.451 216 F CB -0.770 38.167 39.000 -0.105 0.000 1.103 216 F HN 0.289 nan 8.300 nan 0.000 0.569 217 H N 0.820 119.689 119.070 -0.336 0.000 2.372 217 H HA 0.013 4.567 4.556 -0.003 0.000 0.301 217 H C 1.593 176.936 175.328 0.024 0.000 1.065 217 H CA 1.670 57.632 56.048 -0.144 0.000 1.364 217 H CB -0.015 29.610 29.762 -0.228 0.000 1.406 217 H HN 0.398 nan 8.280 nan 0.000 0.521 218 S N -0.543 115.247 115.700 0.150 0.000 2.768 218 S HA 0.072 4.540 4.470 -0.003 0.000 0.246 218 S C 1.025 175.659 174.600 0.057 0.000 1.006 218 S CA 0.164 58.437 58.200 0.122 0.000 1.075 218 S CB 0.253 63.527 63.200 0.123 0.000 0.786 218 S HN 0.178 nan 8.310 nan 0.000 0.468 219 T N 0.156 114.747 114.554 0.063 0.000 3.147 219 T HA 0.474 4.822 4.350 -0.003 0.000 0.275 219 T C 0.494 175.223 174.700 0.048 0.000 0.879 219 T CA 0.590 62.720 62.100 0.050 0.000 0.863 219 T CB 0.175 69.077 68.868 0.057 0.000 1.236 219 T HN 1.148 nan 8.240 nan 0.000 0.582 220 G N 2.082 110.913 108.800 0.052 0.000 2.728 220 G HA2 -0.173 3.785 3.960 -0.003 0.000 0.686 220 G HA3 -0.173 3.785 3.960 -0.003 0.000 0.686 220 G C -0.520 174.402 174.900 0.036 0.000 1.337 220 G CA -0.467 44.646 45.100 0.022 0.000 0.861 220 G HN 0.515 nan 8.290 nan 0.000 0.597 221 N N -0.023 118.678 118.700 0.000 0.000 2.288 221 N HA 0.319 5.058 4.740 -0.003 0.000 0.237 221 N C 0.697 176.215 175.510 0.014 0.000 1.311 221 N CA 0.377 53.422 53.050 -0.008 0.000 0.909 221 N CB 0.376 38.815 38.487 -0.081 0.000 1.167 221 N HN 0.736 nan 8.380 nan 0.000 0.476 222 N N -0.624 118.138 118.700 0.103 0.000 2.370 222 N HA 0.257 4.995 4.740 -0.003 0.000 0.303 222 N C -1.560 173.988 175.510 0.063 0.000 1.103 222 N CA -0.622 52.499 53.050 0.118 0.000 0.848 222 N CB 0.988 39.583 38.487 0.180 0.000 1.235 222 N HN 0.681 nan 8.380 nan 0.000 0.496 223 N N 0.798 119.440 118.700 -0.096 0.000 2.457 223 N HA 0.458 5.196 4.740 -0.003 0.000 0.290 223 N C -2.527 172.831 175.510 -0.254 0.000 1.232 223 N CA -1.608 51.180 53.050 -0.437 0.000 0.852 223 N CB 1.693 39.985 38.487 -0.325 0.000 1.313 223 N HN 0.204 nan 8.380 nan 0.000 0.522 224 P HA 0.006 nan 4.420 nan 0.000 0.236 224 P C 0.218 177.640 177.300 0.204 0.000 1.172 224 P CA 0.907 63.993 63.100 -0.023 0.000 0.759 224 P CB 0.168 31.841 31.700 -0.046 0.000 0.843 225 T N -2.615 112.008 114.554 0.114 0.000 3.039 225 T HA 0.220 4.568 4.350 -0.003 0.000 0.250 225 T C 1.630 176.469 174.700 0.231 0.000 1.052 225 T CA 0.927 63.159 62.100 0.221 0.000 1.125 225 T CB -0.311 68.656 68.868 0.165 0.000 0.908 225 T HN 0.185 nan 8.240 nan 0.000 0.473 226 G N 1.176 110.054 108.800 0.130 0.000 2.199 226 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.254 226 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.254 226 G C 0.255 175.186 174.900 0.052 0.000 0.982 226 G CA 0.162 45.312 45.100 0.084 0.000 0.632 226 G HN 0.535 nan 8.290 nan 0.000 0.529 227 V N 2.038 121.989 119.914 0.062 0.000 2.509 227 V HA 0.468 4.586 4.120 -0.003 0.000 0.284 227 V C 0.433 176.531 176.094 0.007 0.000 1.047 227 V CA -0.842 61.476 62.300 0.029 0.000 0.952 227 V CB 1.686 33.529 31.823 0.032 0.000 0.988 227 V HN 0.304 nan 8.190 nan 0.000 0.469 228 E N 2.642 122.840 120.200 -0.002 0.000 2.343 228 E HA 0.265 4.613 4.350 -0.003 0.000 0.269 228 E C -0.367 176.229 176.600 -0.008 0.000 1.047 228 E CA -0.453 55.942 56.400 -0.008 0.000 0.874 228 E CB 1.619 31.315 29.700 -0.007 0.000 1.033 228 E HN 0.379 nan 8.360 nan 0.000 0.409 229 V N 3.371 123.277 119.914 -0.013 0.000 2.599 229 V HA -0.079 4.040 4.120 -0.003 0.000 0.300 229 V C 1.091 177.184 176.094 -0.003 0.000 1.034 229 V CA 0.354 62.647 62.300 -0.011 0.000 1.115 229 V CB -0.103 31.711 31.823 -0.015 0.000 0.934 229 V HN 0.466 nan 8.190 nan 0.000 0.485 230 R N 4.955 125.455 120.500 0.001 0.000 2.473 230 R HA 0.055 4.393 4.340 -0.003 0.000 0.315 230 R C 0.640 176.946 176.300 0.008 0.000 0.972 230 R CA -0.085 56.018 56.100 0.006 0.000 1.047 230 R CB 0.276 30.581 30.300 0.009 0.000 0.932 230 R HN 0.516 nan 8.270 nan 0.000 0.411 231 R N 1.818 122.324 120.500 0.010 0.000 2.480 231 R HA 0.017 4.356 4.340 -0.003 0.000 0.277 231 R C 0.816 177.128 176.300 0.021 0.000 1.008 231 R CA 0.255 56.363 56.100 0.014 0.000 1.090 231 R CB 0.267 30.575 30.300 0.013 0.000 1.234 231 R HN 0.648 nan 8.270 nan 0.000 0.549 232 T N -2.777 111.790 114.554 0.020 0.000 3.069 232 T HA 0.102 4.450 4.350 -0.003 0.000 0.252 232 T C 0.576 175.294 174.700 0.029 0.000 1.053 232 T CA -0.092 62.022 62.100 0.023 0.000 0.964 232 T CB 0.200 69.079 68.868 0.018 0.000 1.005 232 T HN 0.131 nan 8.240 nan 0.000 0.532 233 S N -0.213 115.506 115.700 0.032 0.000 2.583 233 S HA 0.340 4.808 4.470 -0.003 0.000 0.294 233 S C 0.032 174.658 174.600 0.043 0.000 1.121 233 S CA -1.044 57.178 58.200 0.037 0.000 0.910 233 S CB 1.391 64.610 63.200 0.031 0.000 1.102 233 S HN 0.087 nan 8.310 nan 0.000 0.451 234 K N 1.500 121.933 120.400 0.055 0.000 2.362 234 K HA -0.142 4.176 4.320 -0.003 0.000 0.202 234 K C 2.062 178.694 176.600 0.053 0.000 1.045 234 K CA 1.552 57.878 56.287 0.065 0.000 0.936 234 K CB -0.405 32.144 32.500 0.082 0.000 0.747 234 K HN 0.706 nan 8.250 nan 0.000 0.467 235 A N 2.132 124.977 122.820 0.043 0.000 1.855 235 A HA -0.167 4.151 4.320 -0.003 0.000 0.213 235 A C 1.991 179.593 177.584 0.029 0.000 1.195 235 A CA 1.273 53.331 52.037 0.035 0.000 0.610 235 A CB -0.238 18.780 19.000 0.030 0.000 0.837 235 A HN 0.467 nan 8.150 nan 0.000 0.444 236 E N -0.260 119.956 120.200 0.026 0.000 2.371 236 E HA 0.222 4.570 4.350 -0.003 0.000 0.194 236 E C 1.783 178.396 176.600 0.021 0.000 1.012 236 E CA 0.670 57.083 56.400 0.022 0.000 0.860 236 E CB -0.189 29.522 29.700 0.018 0.000 0.811 236 E HN 0.438 nan 8.360 nan 0.000 0.502 237 A N 1.835 124.670 122.820 0.024 0.000 1.897 237 A HA -0.222 4.096 4.320 -0.003 0.000 0.215 237 A C 2.272 179.868 177.584 0.021 0.000 1.181 237 A CA 1.526 53.575 52.037 0.021 0.000 0.620 237 A CB -0.461 18.554 19.000 0.025 0.000 0.821 237 A HN 0.257 nan 8.150 nan 0.000 0.443 238 Q N 0.027 119.845 119.800 0.029 0.000 2.291 238 Q HA -0.123 4.215 4.340 -0.003 0.000 0.206 238 Q C 1.683 177.691 176.000 0.013 0.000 0.976 238 Q CA 1.631 57.450 55.803 0.025 0.000 0.875 238 Q CB -0.149 28.610 28.738 0.035 0.000 0.927 238 Q HN 0.456 nan 8.270 nan 0.000 0.450 239 K N 0.257 120.669 120.400 0.020 0.000 2.103 239 K HA -0.066 4.252 4.320 -0.003 0.000 0.204 239 K C 1.228 177.849 176.600 0.035 0.000 1.052 239 K CA 1.293 57.597 56.287 0.028 0.000 0.945 239 K CB 0.050 32.566 32.500 0.027 0.000 0.722 239 K HN 0.392 nan 8.250 nan 0.000 0.443 240 D N 0.260 120.670 120.400 0.016 0.000 2.216 240 D HA -0.054 4.584 4.640 -0.003 0.000 0.208 240 D C 1.411 177.685 176.300 -0.044 0.000 0.960 240 D CA 0.755 54.755 54.000 -0.000 0.000 0.861 240 D CB 0.214 41.012 40.800 -0.004 0.000 0.985 240 D HN 0.309 nan 8.370 nan 0.000 0.493 241 T N -1.845 112.688 114.554 -0.035 0.000 2.902 241 T HA 0.582 4.930 4.350 -0.003 0.000 0.287 241 T C -0.053 174.590 174.700 -0.094 0.000 1.048 241 T CA -0.720 61.355 62.100 -0.043 0.000 0.941 241 T CB 1.948 70.821 68.868 0.009 0.000 1.432 241 T HN -0.137 nan 8.240 nan 0.000 0.586 242 V N 1.060 120.935 119.914 -0.066 0.000 3.036 242 V HA 0.472 4.590 4.120 -0.003 0.000 0.288 242 V C -2.914 173.226 176.094 0.077 0.000 1.407 242 V CA -1.878 60.325 62.300 -0.163 0.000 0.983 242 V CB 2.681 34.208 31.823 -0.493 0.000 1.128 242 V HN 0.874 nan 8.190 nan 0.000 0.439 243 P HA 0.191 nan 4.420 nan 0.000 0.271 243 P C 0.382 177.914 177.300 0.387 0.000 1.216 243 P CA 0.038 63.317 63.100 0.299 0.000 0.771 243 P CB 0.352 32.206 31.700 0.257 0.000 0.864 244 F N 4.062 124.185 119.950 0.288 0.000 2.063 244 F HA -0.136 4.389 4.527 -0.003 0.000 0.298 244 F C 0.538 176.531 175.800 0.323 0.000 1.109 244 F CA 1.076 59.299 58.000 0.373 0.000 1.212 244 F CB -0.517 38.692 39.000 0.349 0.000 0.973 244 F HN 0.323 nan 8.300 nan 0.000 0.480 245 W N 3.687 124.916 121.300 -0.117 0.000 2.351 245 W HA 0.282 4.941 4.660 -0.002 0.000 0.311 245 W C -2.281 174.106 176.519 -0.220 0.000 1.168 245 W CA -1.881 55.288 57.345 -0.294 0.000 1.200 245 W CB 1.118 30.447 29.460 -0.219 0.000 1.221 245 W HN 0.001 nan 8.180 nan 0.000 0.519 246 P HA 0.013 nan 4.420 nan 0.000 0.274 246 P C 0.525 177.322 177.300 -0.837 0.000 1.352 246 P CA 0.266 62.471 63.100 -1.491 0.000 0.947 246 P CB 0.227 30.676 31.700 -2.084 0.000 1.437 247 Y N -0.434 119.589 120.300 -0.462 0.000 2.128 247 Y HA -0.139 4.409 4.550 -0.003 0.000 0.284 247 Y C 2.036 177.706 175.900 -0.384 0.000 1.154 247 Y CA 1.746 59.583 58.100 -0.438 0.000 1.149 247 Y CB -1.187 36.956 38.460 -0.528 0.000 0.976 247 Y HN -0.122 nan 8.280 nan 0.000 0.505 248 F N -1.567 118.431 119.950 0.080 0.000 2.530 248 F HA 0.077 4.602 4.527 -0.003 0.000 0.292 248 F C 2.102 177.926 175.800 0.041 0.000 1.109 248 F CA -0.000 58.094 58.000 0.158 0.000 1.450 248 F CB -0.651 38.625 39.000 0.460 0.000 1.114 248 F HN -0.049 nan 8.300 nan 0.000 0.560 249 I N -0.688 119.819 120.570 -0.106 0.000 2.286 249 I HA -0.277 3.892 4.170 -0.003 0.000 0.248 249 I C 2.113 178.273 176.117 0.073 0.000 1.115 249 I CA 1.139 62.407 61.300 -0.053 0.000 1.392 249 I CB -0.327 37.644 38.000 -0.048 0.000 1.065 249 I HN 0.040 nan 8.210 nan 0.000 0.418 250 I N 0.868 121.442 120.570 0.006 0.000 2.286 250 I HA -0.234 3.934 4.170 -0.003 0.000 0.245 250 I C 2.467 178.674 176.117 0.149 0.000 1.104 250 I CA 1.490 62.812 61.300 0.037 0.000 1.397 250 I CB -0.490 37.463 38.000 -0.078 0.000 1.072 250 I HN 0.050 nan 8.210 nan 0.000 0.417 251 K N 0.580 121.100 120.400 0.199 0.000 2.002 251 K HA -0.217 4.101 4.320 -0.003 0.000 0.209 251 K C 1.783 178.501 176.600 0.197 0.000 1.048 251 K CA 1.974 58.452 56.287 0.318 0.000 0.930 251 K CB -0.162 32.614 32.500 0.460 0.000 0.714 251 K HN 0.175 nan 8.250 nan 0.000 0.438 252 D N -0.171 120.339 120.400 0.183 0.000 2.104 252 D HA -0.166 4.473 4.640 -0.003 0.000 0.194 252 D C 1.870 178.159 176.300 -0.017 0.000 0.994 252 D CA 1.352 55.388 54.000 0.059 0.000 0.830 252 D CB -0.292 40.615 40.800 0.178 0.000 0.959 252 D HN 0.021 nan 8.370 nan 0.000 0.452 253 V N 0.817 120.768 119.914 0.063 0.000 2.407 253 V HA -0.224 3.895 4.120 -0.003 0.000 0.248 253 V C 2.090 178.196 176.094 0.020 0.000 1.055 253 V CA 1.288 63.611 62.300 0.039 0.000 1.049 253 V CB -0.585 31.293 31.823 0.091 0.000 0.662 253 V HN 0.135 nan 8.190 nan 0.000 0.455 254 F N 2.003 121.916 119.950 -0.061 0.000 2.069 254 F HA -0.189 4.336 4.527 -0.003 0.000 0.298 254 F C 2.270 177.974 175.800 -0.160 0.000 1.113 254 F CA 1.483 59.439 58.000 -0.074 0.000 1.214 254 F CB -1.004 37.977 39.000 -0.032 0.000 0.978 254 F HN 0.079 nan 8.300 nan 0.000 0.474 255 A N 0.978 123.354 122.820 -0.740 0.000 1.873 255 A HA -0.222 4.096 4.320 -0.003 0.000 0.218 255 A C 2.180 179.381 177.584 -0.638 0.000 1.193 255 A CA 1.920 53.380 52.037 -0.961 0.000 0.629 255 A CB -1.582 16.895 19.000 -0.871 0.000 0.826 255 A HN 0.529 nan 8.150 nan 0.000 0.447 256 L N -0.298 120.662 121.223 -0.438 0.000 2.197 256 L HA -0.169 4.170 4.340 -0.003 0.000 0.215 256 L C 2.502 179.182 176.870 -0.316 0.000 1.095 256 L CA 2.171 56.795 54.840 -0.361 0.000 0.764 256 L CB -0.813 41.080 42.059 -0.277 0.000 0.897 256 L HN 0.389 nan 8.230 nan 0.000 0.436 257 A N -1.703 120.961 122.820 -0.260 0.000 1.930 257 A HA -0.035 4.283 4.320 -0.003 0.000 0.215 257 A C 2.171 179.679 177.584 -0.127 0.000 1.176 257 A CA 1.415 53.368 52.037 -0.139 0.000 0.632 257 A CB -0.743 18.239 19.000 -0.029 0.000 0.819 257 A HN 0.267 nan 8.150 nan 0.000 0.445 258 V N -0.153 119.602 119.914 -0.264 0.000 2.427 258 V HA -0.188 3.931 4.120 -0.003 0.000 0.248 258 V C 2.526 178.564 176.094 -0.094 0.000 1.051 258 V CA 1.768 63.958 62.300 -0.184 0.000 1.048 258 V CB -0.837 30.791 31.823 -0.325 0.000 0.666 258 V HN 0.348 nan 8.190 nan 0.000 0.456 259 V N 0.065 119.886 119.914 -0.155 0.000 2.261 259 V HA -0.261 3.857 4.120 -0.003 0.000 0.246 259 V C 2.352 178.481 176.094 0.057 0.000 1.047 259 V CA 2.053 64.324 62.300 -0.049 0.000 1.015 259 V CB -0.645 31.106 31.823 -0.120 0.000 0.642 259 V HN 0.427 nan 8.190 nan 0.000 0.446 260 L N -0.487 120.747 121.223 0.017 0.000 2.127 260 L HA -0.193 4.145 4.340 -0.003 0.000 0.211 260 L C 2.463 179.559 176.870 0.375 0.000 1.089 260 L CA 1.081 56.052 54.840 0.219 0.000 0.757 260 L CB -0.647 41.495 42.059 0.138 0.000 0.899 260 L HN 0.378 nan 8.230 nan 0.000 0.434 261 L N -0.274 121.078 121.223 0.215 0.000 1.989 261 L HA -0.175 4.163 4.340 -0.003 0.000 0.211 261 L C 2.383 179.394 176.870 0.234 0.000 1.071 261 L CA 1.902 56.868 54.840 0.210 0.000 0.749 261 L CB -0.664 41.468 42.059 0.120 0.000 0.890 261 L HN -0.064 nan 8.230 nan 0.000 0.431 262 V N -0.354 119.675 119.914 0.192 0.000 2.343 262 V HA -0.278 3.840 4.120 -0.003 0.000 0.247 262 V C 2.381 178.608 176.094 0.221 0.000 1.051 262 V CA 1.923 64.334 62.300 0.186 0.000 1.036 262 V CB -1.072 30.847 31.823 0.160 0.000 0.654 262 V HN 0.567 nan 8.190 nan 0.000 0.451 263 F N 0.757 120.746 119.950 0.064 0.000 2.126 263 F HA -0.180 4.346 4.527 -0.003 0.000 0.299 263 F C 1.990 177.733 175.800 -0.094 0.000 1.096 263 F CA 1.502 59.484 58.000 -0.029 0.000 1.255 263 F CB -0.586 38.346 39.000 -0.114 0.000 0.997 263 F HN 0.156 nan 8.300 nan 0.000 0.479 264 F N 0.312 120.181 119.950 -0.134 0.000 2.325 264 F HA 0.038 4.563 4.527 -0.003 0.000 0.299 264 F C 2.533 178.258 175.800 -0.126 0.000 1.090 264 F CA 1.006 58.864 58.000 -0.238 0.000 1.392 264 F CB -1.242 37.705 39.000 -0.088 0.000 1.053 264 F HN 0.078 nan 8.300 nan 0.000 0.521 265 A N 0.522 123.454 122.820 0.187 0.000 1.883 265 A HA -0.167 4.152 4.320 -0.003 0.000 0.217 265 A C 2.257 179.963 177.584 0.204 0.000 1.186 265 A CA 1.596 53.806 52.037 0.289 0.000 0.624 265 A CB -0.799 18.358 19.000 0.262 0.000 0.822 265 A HN 0.230 nan 8.150 nan 0.000 0.444 266 I N -0.008 120.606 120.570 0.073 0.000 2.142 266 I HA -0.175 3.994 4.170 -0.003 0.000 0.240 266 I C 2.492 178.563 176.117 -0.076 0.000 1.078 266 I CA 1.310 62.631 61.300 0.035 0.000 1.343 266 I CB -1.441 36.604 38.000 0.074 0.000 1.046 266 I HN 0.146 nan 8.210 nan 0.000 0.405 267 V N 1.259 121.023 119.914 -0.250 0.000 2.594 267 V HA -0.166 3.953 4.120 -0.003 0.000 0.253 267 V C 2.521 178.501 176.094 -0.190 0.000 1.069 267 V CA 1.892 64.022 62.300 -0.282 0.000 1.082 267 V CB -1.340 30.163 31.823 -0.532 0.000 0.680 267 V HN 0.544 nan 8.190 nan 0.000 0.469 268 G N -1.118 107.539 108.800 -0.238 0.000 2.437 268 G HA2 -0.060 3.899 3.960 -0.003 0.000 0.212 268 G HA3 -0.060 3.899 3.960 -0.003 0.000 0.212 268 G C 1.276 175.850 174.900 -0.543 0.000 1.174 268 G CA 0.423 45.264 45.100 -0.432 0.000 0.811 268 G HN 0.477 nan 8.290 nan 0.000 0.537 269 F N 0.457 120.407 119.950 0.000 0.000 2.437 269 F HA 0.361 4.886 4.527 -0.003 0.000 0.288 269 F C 1.846 177.626 175.800 -0.033 0.000 1.085 269 F CA 0.324 58.317 58.000 -0.011 0.000 1.430 269 F CB 0.120 39.117 39.000 -0.006 0.000 1.120 269 F HN 0.052 nan 8.300 nan 0.000 0.556 270 M N -0.116 119.543 119.600 0.098 0.000 3.200 270 M HA 0.396 4.874 4.480 -0.003 0.000 0.335 270 M C -2.325 173.978 176.300 0.005 0.000 1.446 270 M CA -1.300 54.035 55.300 0.057 0.000 0.691 270 M CB 0.700 33.335 32.600 0.058 0.000 1.409 270 M HN -0.263 nan 8.290 nan 0.000 0.488 271 P HA -0.155 nan 4.420 nan 0.000 0.218 271 P C 0.309 177.494 177.300 -0.192 0.000 1.146 271 P CA 1.495 64.373 63.100 -0.370 0.000 0.813 271 P CB 0.012 31.041 31.700 -1.118 0.000 0.778 272 N N -1.809 116.856 118.700 -0.059 0.000 2.280 272 N HA -0.034 4.704 4.740 -0.003 0.000 0.192 272 N C 1.493 177.106 175.510 0.171 0.000 1.109 272 N CA -0.110 53.014 53.050 0.123 0.000 0.855 272 N CB -0.526 38.084 38.487 0.205 0.000 0.974 272 N HN 0.161 nan 8.380 nan 0.000 0.482 273 Y N 1.898 122.227 120.300 0.048 0.000 2.070 273 Y HA -0.061 4.487 4.550 -0.003 0.000 0.280 273 Y C 1.765 177.703 175.900 0.062 0.000 1.148 273 Y CA 1.497 59.625 58.100 0.047 0.000 1.125 273 Y CB -0.401 38.077 38.460 0.030 0.000 0.975 273 Y HN -0.040 nan 8.280 nan 0.000 0.492 274 L N 0.405 121.633 121.223 0.009 0.000 2.675 274 L HA 0.097 4.435 4.340 -0.003 0.000 0.238 274 L C 1.019 177.941 176.870 0.086 0.000 1.155 274 L CA 0.285 55.120 54.840 -0.009 0.000 0.881 274 L CB -1.157 41.038 42.059 0.227 0.000 1.008 274 L HN 0.292 nan 8.230 nan 0.000 0.443 275 G N -2.449 106.389 108.800 0.064 0.000 2.685 275 G HA2 0.297 4.255 3.960 -0.003 0.000 0.298 275 G HA3 0.297 4.255 3.960 -0.003 0.000 0.298 275 G C -1.455 173.500 174.900 0.091 0.000 1.277 275 G CA -0.412 44.759 45.100 0.118 0.000 0.986 275 G HN -0.018 nan 8.290 nan 0.000 0.487 276 H N 0.783 119.901 119.070 0.080 0.000 2.640 276 H HA 0.319 4.873 4.556 -0.003 0.000 0.297 276 H C -1.594 173.789 175.328 0.092 0.000 1.073 276 H CA -1.949 54.146 56.048 0.078 0.000 1.305 276 H CB 2.043 31.863 29.762 0.098 0.000 1.404 276 H HN 0.057 nan 8.280 nan 0.000 0.459 277 P HA -0.156 nan 4.420 nan 0.000 0.218 277 P C 0.829 178.363 177.300 0.391 0.000 1.146 277 P CA 1.118 64.429 63.100 0.352 0.000 0.820 277 P CB 0.428 32.268 31.700 0.234 0.000 0.778 278 D N -2.012 118.684 120.400 0.492 0.000 2.378 278 D HA -0.060 4.578 4.640 -0.003 0.000 0.227 278 D C 1.178 177.557 176.300 0.131 0.000 1.012 278 D CA 0.654 54.810 54.000 0.260 0.000 0.905 278 D CB -0.571 40.306 40.800 0.129 0.000 0.895 278 D HN 0.106 nan 8.370 nan 0.000 0.532 279 N N -0.541 118.222 118.700 0.105 0.000 2.314 279 N HA -0.054 4.684 4.740 -0.003 0.000 0.200 279 N C -0.056 175.499 175.510 0.074 0.000 1.135 279 N CA 0.109 53.155 53.050 -0.007 0.000 0.835 279 N CB 0.004 38.415 38.487 -0.125 0.000 0.989 279 N HN 0.079 nan 8.380 nan 0.000 0.478 280 Y N -0.391 120.055 120.300 0.244 0.000 2.555 280 Y HA 0.375 4.923 4.550 -0.003 0.000 0.259 280 Y C -0.021 176.033 175.900 0.256 0.000 1.179 280 Y CA -0.438 57.868 58.100 0.344 0.000 1.230 280 Y CB 0.458 39.076 38.460 0.263 0.000 1.146 280 Y HN -0.036 nan 8.280 nan 0.000 0.526 281 I N 0.833 121.520 120.570 0.195 0.000 2.404 281 I HA 0.191 4.359 4.170 -0.003 0.000 0.293 281 I C 0.154 176.087 176.117 -0.306 0.000 0.992 281 I CA -1.062 60.236 61.300 -0.004 0.000 1.149 281 I CB 1.461 39.481 38.000 0.033 0.000 1.315 281 I HN 0.107 nan 8.210 nan 0.000 0.446 282 E N 3.364 123.249 120.200 -0.526 0.000 2.413 282 E HA 0.249 4.597 4.350 -0.003 0.000 0.263 282 E C 0.251 176.595 176.600 -0.427 0.000 1.015 282 E CA -0.341 55.613 56.400 -0.743 0.000 0.916 282 E CB 0.758 30.122 29.700 -0.560 0.000 0.947 282 E HN 0.700 nan 8.360 nan 0.000 0.440 283 A N 3.737 126.275 122.820 -0.470 0.000 2.567 283 A HA -0.060 4.259 4.320 -0.003 0.000 0.240 283 A C 0.117 177.378 177.584 -0.538 0.000 1.053 283 A CA 0.152 51.840 52.037 -0.581 0.000 0.755 283 A CB 0.017 18.381 19.000 -1.060 0.000 0.978 283 A HN 0.521 nan 8.150 nan 0.000 0.507 284 N N 3.022 121.442 118.700 -0.467 0.000 2.524 284 N HA 0.378 5.116 4.740 -0.003 0.000 0.261 284 N C -2.472 172.801 175.510 -0.395 0.000 0.998 284 N CA -1.940 50.924 53.050 -0.309 0.000 0.915 284 N CB 1.893 40.349 38.487 -0.052 0.000 1.187 284 N HN 0.144 nan 8.380 nan 0.000 0.507 285 P HA 0.074 nan 4.420 nan 0.000 0.230 285 P C 0.669 178.046 177.300 0.129 0.000 1.158 285 P CA 0.851 63.643 63.100 -0.514 0.000 0.769 285 P CB 0.417 31.848 31.700 -0.448 0.000 0.807 286 L N -1.590 119.710 121.223 0.129 0.000 2.769 286 L HA 0.301 4.639 4.340 -0.003 0.000 0.240 286 L C 0.719 177.697 176.870 0.181 0.000 1.163 286 L CA -0.073 54.869 54.840 0.170 0.000 0.962 286 L CB 0.199 42.297 42.059 0.065 0.000 1.258 286 L HN -0.107 nan 8.230 nan 0.000 0.513 287 R N 0.132 120.814 120.500 0.303 0.000 2.658 287 R HA 0.244 4.582 4.340 -0.003 0.000 0.287 287 R C -1.217 175.067 176.300 -0.027 0.000 1.209 287 R CA -0.211 55.947 56.100 0.096 0.000 1.046 287 R CB 1.424 31.754 30.300 0.050 0.000 1.247 287 R HN -0.151 nan 8.270 nan 0.000 0.405 288 T N 6.263 120.531 114.554 -0.476 0.000 2.749 288 T HA 0.276 4.624 4.350 -0.003 0.000 0.295 288 T C -2.368 172.078 174.700 -0.423 0.000 0.936 288 T CA -1.130 60.425 62.100 -0.907 0.000 1.060 288 T CB 1.231 69.416 68.868 -1.138 0.000 0.904 288 T HN 0.396 nan 8.240 nan 0.000 0.500 289 P HA 0.088 nan 4.420 nan 0.000 0.263 289 P C 0.533 177.708 177.300 -0.209 0.000 1.175 289 P CA -0.082 62.924 63.100 -0.157 0.000 0.761 289 P CB 0.428 32.088 31.700 -0.066 0.000 0.794 290 A N 3.393 126.056 122.820 -0.261 0.000 2.019 290 A HA -0.177 4.141 4.320 -0.003 0.000 0.219 290 A C 1.085 178.466 177.584 -0.339 0.000 1.164 290 A CA 1.395 53.218 52.037 -0.356 0.000 0.644 290 A CB -0.814 17.885 19.000 -0.503 0.000 0.805 290 A HN 0.612 nan 8.150 nan 0.000 0.449 291 H N -1.192 117.887 119.070 0.016 0.000 2.488 291 H HA 0.273 4.827 4.556 -0.003 0.000 0.294 291 H C 0.137 175.534 175.328 0.114 0.000 1.088 291 H CA -0.902 55.184 56.048 0.064 0.000 1.086 291 H CB -0.518 29.305 29.762 0.100 0.000 1.569 291 H HN 0.498 nan 8.280 nan 0.000 0.548 292 I N 2.125 122.729 120.570 0.057 0.000 2.828 292 I HA -0.053 4.115 4.170 -0.003 0.000 0.292 292 I C -0.693 175.428 176.117 0.007 0.000 1.206 292 I CA 0.435 61.713 61.300 -0.036 0.000 1.420 292 I CB -0.030 37.911 38.000 -0.098 0.000 1.368 292 I HN -0.192 nan 8.210 nan 0.000 0.556 293 V N 7.762 127.684 119.914 0.013 0.000 2.925 293 V HA 0.493 4.611 4.120 -0.003 0.000 0.311 293 V C -2.179 173.809 176.094 -0.177 0.000 1.104 293 V CA -1.374 60.883 62.300 -0.072 0.000 0.954 293 V CB 1.733 33.585 31.823 0.048 0.000 1.022 293 V HN 0.667 nan 8.190 nan 0.000 0.427 294 P HA 0.315 nan 4.420 nan 0.000 0.275 294 P C -0.790 176.286 177.300 -0.374 0.000 1.266 294 P CA -0.567 62.299 63.100 -0.391 0.000 0.793 294 P CB 0.472 31.853 31.700 -0.532 0.000 1.074 295 E N 0.605 120.457 120.200 -0.580 0.000 2.384 295 E HA -0.049 4.300 4.350 -0.003 0.000 0.266 295 E C 1.099 177.165 176.600 -0.889 0.000 1.012 295 E CA -0.030 55.799 56.400 -0.951 0.000 0.901 295 E CB -0.116 28.535 29.700 -1.749 0.000 0.967 295 E HN 0.525 nan 8.360 nan 0.000 0.435 296 W N 4.635 125.569 121.300 -0.610 0.000 2.290 296 W HA -0.379 4.279 4.660 -0.003 0.000 0.318 296 W C 1.086 177.405 176.519 -0.333 0.000 1.248 296 W CA 1.569 58.685 57.345 -0.381 0.000 1.263 296 W CB -1.111 28.220 29.460 -0.216 0.000 1.147 296 W HN 0.764 nan 8.180 nan 0.000 0.494 297 Y N -1.950 117.431 120.300 -1.532 0.000 2.651 297 Y HA -0.012 4.536 4.550 -0.003 0.000 0.296 297 Y C 1.631 177.249 175.900 -0.469 0.000 1.150 297 Y CA 0.433 57.755 58.100 -1.298 0.000 1.348 297 Y CB -1.852 35.395 38.460 -2.021 0.000 0.983 297 Y HN -0.170 nan 8.280 nan 0.000 0.555 298 F N -0.457 119.205 119.950 -0.480 0.000 2.717 298 F HA 0.224 4.749 4.527 -0.003 0.000 0.297 298 F C 1.880 177.594 175.800 -0.143 0.000 1.113 298 F CA -1.007 56.859 58.000 -0.223 0.000 1.319 298 F CB -0.649 38.154 39.000 -0.328 0.000 1.097 298 F HN 0.111 nan 8.300 nan 0.000 0.595 299 L N 1.496 122.701 121.223 -0.029 0.000 1.991 299 L HA -0.243 4.095 4.340 -0.003 0.000 0.221 299 L C -0.019 176.806 176.870 -0.075 0.000 1.079 299 L CA 2.093 56.914 54.840 -0.031 0.000 0.778 299 L CB -2.124 39.896 42.059 -0.065 0.000 0.893 299 L HN 0.032 nan 8.230 nan 0.000 0.437 300 P HA -0.236 nan 4.420 nan 0.000 0.214 300 P C 1.566 178.514 177.300 -0.587 0.000 1.163 300 P CA 1.939 64.676 63.100 -0.605 0.000 0.889 300 P CB -0.246 30.772 31.700 -1.137 0.000 0.790 301 F N -2.046 117.780 119.950 -0.206 0.000 2.451 301 F HA -0.085 4.440 4.527 -0.003 0.000 0.299 301 F C 2.662 178.373 175.800 -0.148 0.000 1.101 301 F CA 0.707 58.578 58.000 -0.214 0.000 1.436 301 F CB -1.397 37.464 39.000 -0.232 0.000 1.074 301 F HN -0.066 nan 8.300 nan 0.000 0.553 302 Y N 0.705 120.934 120.300 -0.118 0.000 2.286 302 Y HA 0.065 4.613 4.550 -0.003 0.000 0.293 302 Y C 2.254 178.066 175.900 -0.148 0.000 1.124 302 Y CA 0.700 58.721 58.100 -0.132 0.000 1.178 302 Y CB -0.673 37.715 38.460 -0.119 0.000 1.010 302 Y HN -0.049 nan 8.280 nan 0.000 0.536 303 A N 1.274 123.962 122.820 -0.220 0.000 1.851 303 A HA -0.200 4.118 4.320 -0.003 0.000 0.216 303 A C 2.295 179.690 177.584 -0.315 0.000 1.195 303 A CA 2.258 54.087 52.037 -0.346 0.000 0.622 303 A CB -1.292 17.562 19.000 -0.243 0.000 0.831 303 A HN 0.565 nan 8.150 nan 0.000 0.444 304 I N -0.545 119.895 120.570 -0.218 0.000 2.248 304 I HA -0.285 3.883 4.170 -0.003 0.000 0.248 304 I C 2.537 178.656 176.117 0.004 0.000 1.107 304 I CA 1.702 62.952 61.300 -0.083 0.000 1.373 304 I CB -0.300 37.694 38.000 -0.010 0.000 1.055 304 I HN 0.479 nan 8.210 nan 0.000 0.418 305 L N 1.486 122.674 121.223 -0.060 0.000 2.093 305 L HA -0.163 4.175 4.340 -0.003 0.000 0.208 305 L C 2.515 179.342 176.870 -0.071 0.000 1.085 305 L CA 1.370 56.204 54.840 -0.009 0.000 0.755 305 L CB -0.210 41.807 42.059 -0.070 0.000 0.904 305 L HN 0.228 nan 8.230 nan 0.000 0.435 306 R N -0.918 119.416 120.500 -0.278 0.000 2.388 306 R HA 0.296 4.634 4.340 -0.003 0.000 0.247 306 R C 1.479 177.588 176.300 -0.317 0.000 0.931 306 R CA 0.614 56.538 56.100 -0.293 0.000 1.082 306 R CB -0.153 29.878 30.300 -0.448 0.000 1.135 306 R HN 0.243 nan 8.270 nan 0.000 0.525 307 A N 1.340 123.911 122.820 -0.415 0.000 1.874 307 A HA 0.120 4.438 4.320 -0.003 0.000 0.214 307 A C 0.265 177.474 177.584 -0.626 0.000 1.189 307 A CA 0.245 51.913 52.037 -0.615 0.000 0.615 307 A CB -0.259 18.196 19.000 -0.908 0.000 0.830 307 A HN 0.291 nan 8.150 nan 0.000 0.443 308 F N 2.409 122.305 119.950 -0.089 0.000 2.541 308 F HA 0.303 4.828 4.527 -0.003 0.000 0.347 308 F C 1.204 176.941 175.800 -0.104 0.000 1.242 308 F CA 0.150 58.095 58.000 -0.092 0.000 1.123 308 F CB -0.431 38.625 39.000 0.093 0.000 1.354 308 F HN 0.155 nan 8.300 nan 0.000 0.621 309 T N -1.420 113.108 114.554 -0.043 0.000 2.936 309 T HA 0.636 4.984 4.350 -0.003 0.000 0.282 309 T C 1.365 176.036 174.700 -0.049 0.000 1.003 309 T CA -0.420 61.651 62.100 -0.049 0.000 1.005 309 T CB 1.717 70.531 68.868 -0.092 0.000 1.097 309 T HN 0.431 nan 8.240 nan 0.000 0.532 310 A N 1.005 123.807 122.820 -0.029 0.000 2.009 310 A HA -0.142 4.176 4.320 -0.003 0.000 0.222 310 A C 1.513 179.081 177.584 -0.027 0.000 1.175 310 A CA 1.958 53.982 52.037 -0.021 0.000 0.651 310 A CB -1.033 17.965 19.000 -0.004 0.000 0.815 310 A HN 0.963 nan 8.150 nan 0.000 0.459 311 D N -0.752 119.627 120.400 -0.036 0.000 2.722 311 D HA 0.299 4.937 4.640 -0.003 0.000 0.239 311 D C -0.447 175.826 176.300 -0.045 0.000 1.249 311 D CA -0.186 53.807 54.000 -0.012 0.000 0.830 311 D CB 0.068 40.865 40.800 -0.005 0.000 1.025 311 D HN 0.115 nan 8.370 nan 0.000 0.486 312 V N 1.227 121.093 119.914 -0.079 0.000 2.483 312 V HA 0.049 4.168 4.120 -0.003 0.000 0.295 312 V C 0.839 176.942 176.094 0.014 0.000 1.035 312 V CA -0.873 61.338 62.300 -0.148 0.000 0.896 312 V CB 1.758 33.492 31.823 -0.149 0.000 0.986 312 V HN 0.209 nan 8.190 nan 0.000 0.447 313 W N 3.064 124.320 121.300 -0.074 0.000 2.317 313 W HA -0.154 4.504 4.660 -0.003 0.000 0.318 313 W C 2.033 178.498 176.519 -0.090 0.000 1.227 313 W CA 1.593 58.903 57.345 -0.059 0.000 1.269 313 W CB -1.392 28.060 29.460 -0.013 0.000 1.155 313 W HN 0.515 nan 8.180 nan 0.000 0.484 314 V N 0.078 120.069 119.914 0.127 0.000 2.380 314 V HA -0.314 3.805 4.120 -0.003 0.000 0.251 314 V C 2.154 178.109 176.094 -0.232 0.000 1.063 314 V CA 1.877 64.175 62.300 -0.003 0.000 1.055 314 V CB -1.814 30.019 31.823 0.017 0.000 0.657 314 V HN 0.034 nan 8.190 nan 0.000 0.455 315 V N -0.128 119.508 119.914 -0.463 0.000 2.427 315 V HA -0.235 3.884 4.120 -0.003 0.000 0.248 315 V C 2.716 178.665 176.094 -0.240 0.000 1.051 315 V CA 1.886 63.760 62.300 -0.710 0.000 1.048 315 V CB -0.612 30.825 31.823 -0.643 0.000 0.666 315 V HN 0.600 nan 8.190 nan 0.000 0.456 316 Q N -0.369 119.378 119.800 -0.087 0.000 2.020 316 Q HA -0.161 4.178 4.340 -0.003 0.000 0.202 316 Q C 2.317 178.342 176.000 0.043 0.000 0.982 316 Q CA 1.835 57.638 55.803 -0.001 0.000 0.838 316 Q CB -0.347 28.410 28.738 0.032 0.000 0.899 316 Q HN 0.563 nan 8.270 nan 0.000 0.423 317 I N 1.356 121.956 120.570 0.051 0.000 2.113 317 I HA -0.344 3.824 4.170 -0.003 0.000 0.242 317 I C 2.596 178.795 176.117 0.137 0.000 1.064 317 I CA 1.412 62.779 61.300 0.112 0.000 1.320 317 I CB -0.642 37.410 38.000 0.088 0.000 1.028 317 I HN 0.129 nan 8.210 nan 0.000 0.406 318 A N 0.791 123.657 122.820 0.077 0.000 1.865 318 A HA -0.331 3.987 4.320 -0.003 0.000 0.217 318 A C 2.119 179.759 177.584 0.094 0.000 1.191 318 A CA 2.557 54.651 52.037 0.095 0.000 0.623 318 A CB -1.328 17.773 19.000 0.168 0.000 0.826 318 A HN 0.604 nan 8.150 nan 0.000 0.444 319 N N -1.950 116.804 118.700 0.090 0.000 2.205 319 N HA -0.194 4.545 4.740 -0.003 0.000 0.186 319 N C 1.512 177.085 175.510 0.105 0.000 1.015 319 N CA 1.606 54.717 53.050 0.103 0.000 0.862 319 N CB -0.231 38.306 38.487 0.083 0.000 0.986 319 N HN 0.461 nan 8.380 nan 0.000 0.429 320 F N 2.442 122.359 119.950 -0.055 0.000 2.037 320 F HA 0.014 4.539 4.527 -0.003 0.000 0.291 320 F C 1.840 177.508 175.800 -0.221 0.000 1.137 320 F CA 1.203 59.130 58.000 -0.122 0.000 1.178 320 F CB -0.865 38.071 39.000 -0.107 0.000 0.995 320 F HN 0.105 nan 8.300 nan 0.000 0.472 321 I N -0.079 120.202 120.570 -0.481 0.000 3.294 321 I HA -0.044 4.124 4.170 -0.003 0.000 0.287 321 I C 1.273 177.181 176.117 -0.349 0.000 1.328 321 I CA 1.405 62.351 61.300 -0.591 0.000 1.375 321 I CB -0.986 36.862 38.000 -0.253 0.000 1.045 321 I HN 0.346 nan 8.210 nan 0.000 0.522 322 S N -0.383 115.195 115.700 -0.202 0.000 2.733 322 S HA 0.275 4.743 4.470 -0.003 0.000 0.247 322 S C 0.498 175.332 174.600 0.390 0.000 1.043 322 S CA -0.504 57.785 58.200 0.147 0.000 1.066 322 S CB -0.341 62.949 63.200 0.149 0.000 1.045 322 S HN 0.458 nan 8.310 nan 0.000 0.586 323 F N 1.106 121.021 119.950 -0.058 0.000 3.023 323 F HA -0.065 4.461 4.527 -0.003 0.000 0.297 323 F C 1.548 177.363 175.800 0.024 0.000 0.858 323 F CA 0.594 58.581 58.000 -0.021 0.000 1.222 323 F CB -1.950 37.032 39.000 -0.030 0.000 1.263 323 F HN 0.645 nan 8.300 nan 0.000 0.565 324 G N -0.714 108.176 108.800 0.149 0.000 2.363 324 G HA2 -0.406 3.552 3.960 -0.003 0.000 0.238 324 G HA3 -0.406 3.552 3.960 -0.003 0.000 0.238 324 G C 1.180 176.166 174.900 0.142 0.000 1.062 324 G CA 0.253 45.433 45.100 0.133 0.000 0.629 324 G HN 0.528 nan 8.290 nan 0.000 0.514 325 I N 1.218 121.886 120.570 0.164 0.000 2.091 325 I HA -0.157 4.011 4.170 -0.003 0.000 0.240 325 I C 1.641 177.894 176.117 0.227 0.000 1.046 325 I CA 1.605 62.997 61.300 0.153 0.000 1.306 325 I CB -0.245 37.846 38.000 0.151 0.000 1.018 325 I HN 0.230 nan 8.210 nan 0.000 0.404 326 I N 2.010 122.738 120.570 0.264 0.000 2.227 326 I HA 0.003 4.171 4.170 -0.003 0.000 0.297 326 I C 0.113 176.385 176.117 0.258 0.000 1.173 326 I CA -0.524 60.980 61.300 0.339 0.000 1.356 326 I CB -0.733 37.411 38.000 0.240 0.000 1.485 326 I HN 0.302 nan 8.210 nan 0.000 0.604 327 D N 3.943 124.494 120.400 0.252 0.000 2.469 327 D HA 0.317 4.955 4.640 -0.003 0.000 0.278 327 D C 1.432 177.837 176.300 0.175 0.000 1.231 327 D CA -0.302 53.798 54.000 0.167 0.000 1.075 327 D CB 0.685 41.563 40.800 0.130 0.000 1.121 327 D HN 0.221 nan 8.370 nan 0.000 0.571 328 A N -0.613 122.271 122.820 0.107 0.000 1.883 328 A HA -0.226 4.092 4.320 -0.003 0.000 0.217 328 A C 2.020 179.709 177.584 0.176 0.000 1.186 328 A CA 2.326 54.423 52.037 0.099 0.000 0.624 328 A CB -1.095 17.933 19.000 0.046 0.000 0.822 328 A HN 0.654 nan 8.150 nan 0.000 0.444 329 K N -1.552 118.943 120.400 0.158 0.000 1.987 329 K HA -0.223 4.096 4.320 -0.003 0.000 0.216 329 K C 1.782 178.518 176.600 0.228 0.000 1.051 329 K CA 2.111 58.496 56.287 0.164 0.000 0.942 329 K CB -0.424 32.162 32.500 0.142 0.000 0.722 329 K HN 0.370 nan 8.250 nan 0.000 0.444 330 F N 0.732 120.733 119.950 0.086 0.000 2.451 330 F HA -0.048 4.477 4.527 -0.003 0.000 0.299 330 F C 1.623 177.458 175.800 0.059 0.000 1.101 330 F CA 0.451 58.488 58.000 0.061 0.000 1.436 330 F CB -0.350 38.679 39.000 0.050 0.000 1.074 330 F HN 0.114 nan 8.300 nan 0.000 0.553 331 F N 0.421 120.286 119.950 -0.142 0.000 2.128 331 F HA 0.103 4.628 4.527 -0.003 0.000 0.295 331 F C 2.459 178.108 175.800 -0.253 0.000 1.100 331 F CA 1.722 59.544 58.000 -0.298 0.000 1.260 331 F CB -0.998 37.880 39.000 -0.203 0.000 1.009 331 F HN -0.065 nan 8.300 nan 0.000 0.476 332 G N 0.042 108.949 108.800 0.179 0.000 2.442 332 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.219 332 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.219 332 G C 1.750 176.646 174.900 -0.005 0.000 1.141 332 G CA 1.253 46.455 45.100 0.171 0.000 0.763 332 G HN 0.337 nan 8.290 nan 0.000 0.554 333 V N 0.946 120.846 119.914 -0.023 0.000 2.237 333 V HA -0.148 3.970 4.120 -0.003 0.000 0.245 333 V C 2.935 178.991 176.094 -0.065 0.000 1.046 333 V CA 1.725 64.021 62.300 -0.007 0.000 1.007 333 V CB -0.554 31.360 31.823 0.152 0.000 0.638 333 V HN 0.358 nan 8.190 nan 0.000 0.445 334 L N 0.075 121.109 121.223 -0.316 0.000 2.079 334 L HA -0.211 4.127 4.340 -0.003 0.000 0.210 334 L C 2.658 179.350 176.870 -0.297 0.000 1.081 334 L CA 1.589 56.196 54.840 -0.388 0.000 0.752 334 L CB -0.780 40.821 42.059 -0.762 0.000 0.896 334 L HN 0.387 nan 8.230 nan 0.000 0.433 335 A N -0.461 122.123 122.820 -0.393 0.000 1.898 335 A HA -0.250 4.068 4.320 -0.003 0.000 0.216 335 A C 2.324 180.002 177.584 0.156 0.000 1.181 335 A CA 1.909 53.821 52.037 -0.209 0.000 0.620 335 A CB -0.434 18.406 19.000 -0.267 0.000 0.819 335 A HN 0.441 nan 8.150 nan 0.000 0.442 336 M N -1.886 117.728 119.600 0.023 0.000 2.098 336 M HA -0.029 4.449 4.480 -0.003 0.000 0.262 336 M C 1.835 178.087 176.300 -0.081 0.000 1.072 336 M CA 1.819 57.099 55.300 -0.033 0.000 1.133 336 M CB -0.203 32.252 32.600 -0.241 0.000 1.344 336 M HN 0.304 nan 8.290 nan 0.000 0.414 337 F N 0.566 120.494 119.950 -0.037 0.000 2.171 337 F HA -0.034 4.491 4.527 -0.003 0.000 0.300 337 F C 2.526 178.324 175.800 -0.003 0.000 1.090 337 F CA 1.639 59.597 58.000 -0.070 0.000 1.293 337 F CB -1.391 37.544 39.000 -0.109 0.000 1.013 337 F HN 0.293 nan 8.300 nan 0.000 0.486 338 G N -0.690 108.235 108.800 0.208 0.000 2.432 338 G HA2 -0.160 3.798 3.960 -0.003 0.000 0.219 338 G HA3 -0.160 3.798 3.960 -0.003 0.000 0.219 338 G C 1.906 176.966 174.900 0.268 0.000 1.135 338 G CA 0.741 45.980 45.100 0.232 0.000 0.767 338 G HN 0.455 nan 8.290 nan 0.000 0.550 339 A N 0.586 123.547 122.820 0.235 0.000 1.972 339 A HA 0.043 4.361 4.320 -0.003 0.000 0.219 339 A C 2.356 180.080 177.584 0.235 0.000 1.169 339 A CA 1.293 53.358 52.037 0.047 0.000 0.635 339 A CB -0.261 18.691 19.000 -0.081 0.000 0.810 339 A HN 0.413 nan 8.150 nan 0.000 0.446 340 I N -1.136 119.550 120.570 0.194 0.000 2.296 340 I HA -0.119 4.050 4.170 -0.003 0.000 0.242 340 I C 2.343 178.511 176.117 0.086 0.000 1.087 340 I CA 0.903 62.294 61.300 0.152 0.000 1.393 340 I CB -0.332 37.678 38.000 0.016 0.000 1.093 340 I HN 0.391 nan 8.210 nan 0.000 0.421 341 L N 0.645 121.922 121.223 0.089 0.000 2.081 341 L HA -0.177 4.161 4.340 -0.003 0.000 0.212 341 L C 2.343 179.229 176.870 0.028 0.000 1.080 341 L CA 1.717 56.595 54.840 0.064 0.000 0.754 341 L CB -0.589 41.511 42.059 0.069 0.000 0.893 341 L HN 0.005 nan 8.230 nan 0.000 0.433 342 V N -0.237 119.672 119.914 -0.009 0.000 2.343 342 V HA -0.344 3.774 4.120 -0.003 0.000 0.247 342 V C 2.617 178.489 176.094 -0.370 0.000 1.051 342 V CA 2.312 64.538 62.300 -0.123 0.000 1.036 342 V CB -0.270 31.464 31.823 -0.149 0.000 0.654 342 V HN 0.688 nan 8.190 nan 0.000 0.451 343 M N -0.565 118.734 119.600 -0.502 0.000 2.374 343 M HA -0.080 4.398 4.480 -0.003 0.000 0.264 343 M C 1.843 178.169 176.300 0.044 0.000 1.067 343 M CA 1.814 56.783 55.300 -0.551 0.000 1.103 343 M CB -0.172 32.260 32.600 -0.280 0.000 1.402 343 M HN 0.346 nan 8.290 nan 0.000 0.444 344 A N -0.067 122.822 122.820 0.114 0.000 2.067 344 A HA 0.061 4.379 4.320 -0.003 0.000 0.217 344 A C 1.687 179.546 177.584 0.459 0.000 1.156 344 A CA 0.731 52.949 52.037 0.301 0.000 0.683 344 A CB -0.474 18.615 19.000 0.148 0.000 0.808 344 A HN 0.574 nan 8.150 nan 0.000 0.455 345 L N -0.385 121.016 121.223 0.297 0.000 2.607 345 L HA 0.045 4.383 4.340 -0.003 0.000 0.228 345 L C 1.740 178.820 176.870 0.350 0.000 1.123 345 L CA -0.188 54.909 54.840 0.428 0.000 0.890 345 L CB 0.149 42.341 42.059 0.222 0.000 1.103 345 L HN 0.136 nan 8.230 nan 0.000 0.468 346 V N 0.597 120.558 119.914 0.078 0.000 2.439 346 V HA -0.215 3.904 4.120 -0.003 0.000 0.253 346 V C -0.230 175.673 176.094 -0.318 0.000 1.074 346 V CA 1.943 64.119 62.300 -0.206 0.000 1.076 346 V CB -1.456 29.980 31.823 -0.645 0.000 0.664 346 V HN 0.387 nan 8.190 nan 0.000 0.461 347 P HA -0.146 nan 4.420 nan 0.000 0.221 347 P C 1.016 177.959 177.300 -0.594 0.000 1.145 347 P CA 1.423 64.163 63.100 -0.599 0.000 0.795 347 P CB -0.055 30.905 31.700 -1.234 0.000 0.775 348 W N -1.955 119.343 121.300 -0.003 0.000 2.966 348 W HA 0.372 5.031 4.660 -0.003 0.000 0.406 348 W C 0.835 177.351 176.519 -0.006 0.000 1.027 348 W CA -0.026 57.322 57.345 0.006 0.000 1.930 348 W CB 0.216 29.685 29.460 0.015 0.000 1.144 348 W HN 0.009 nan 8.180 nan 0.000 0.626 349 L N -0.970 120.331 121.223 0.129 0.000 2.730 349 L HA 0.141 4.479 4.340 -0.003 0.000 0.236 349 L C 0.289 177.154 176.870 -0.009 0.000 1.061 349 L CA 0.309 55.187 54.840 0.064 0.000 0.898 349 L CB -0.064 42.033 42.059 0.063 0.000 1.270 349 L HN -0.335 nan 8.230 nan 0.000 0.500 350 D N 1.232 121.615 120.400 -0.027 0.000 2.374 350 D HA 0.043 4.681 4.640 -0.003 0.000 0.240 350 D C 1.155 177.444 176.300 -0.019 0.000 1.229 350 D CA 0.105 54.091 54.000 -0.024 0.000 0.895 350 D CB 1.164 41.998 40.800 0.055 0.000 1.046 350 D HN 0.128 nan 8.370 nan 0.000 0.498 351 T N 0.066 114.607 114.554 -0.021 0.000 3.100 351 T HA 0.045 4.393 4.350 -0.003 0.000 0.253 351 T C 1.096 175.776 174.700 -0.033 0.000 1.118 351 T CA -0.407 61.682 62.100 -0.019 0.000 1.058 351 T CB -0.007 68.859 68.868 -0.004 0.000 0.953 351 T HN 0.221 nan 8.240 nan 0.000 0.515 352 S N 3.380 119.052 115.700 -0.046 0.000 2.533 352 S HA 0.209 4.677 4.470 -0.003 0.000 0.282 352 S C -1.051 173.498 174.600 -0.085 0.000 1.304 352 S CA -1.349 56.815 58.200 -0.061 0.000 1.063 352 S CB 0.962 64.112 63.200 -0.082 0.000 0.881 352 S HN 0.231 nan 8.310 nan 0.000 0.493 353 P HA 0.058 nan 4.420 nan 0.000 0.240 353 P C -0.089 177.158 177.300 -0.089 0.000 1.190 353 P CA 0.198 63.253 63.100 -0.075 0.000 0.781 353 P CB 0.006 31.676 31.700 -0.050 0.000 0.931 354 V N 1.980 121.836 119.914 -0.095 0.000 2.508 354 V HA 0.090 4.208 4.120 -0.003 0.000 0.281 354 V C 2.133 178.131 176.094 -0.160 0.000 1.041 354 V CA 0.012 62.257 62.300 -0.092 0.000 1.016 354 V CB 0.542 32.322 31.823 -0.072 0.000 0.984 354 V HN -0.009 nan 8.190 nan 0.000 0.478 355 R N 3.912 124.335 120.500 -0.127 0.000 2.124 355 R HA -0.027 4.311 4.340 -0.003 0.000 0.215 355 R C 1.434 177.586 176.300 -0.247 0.000 1.145 355 R CA 1.476 57.465 56.100 -0.184 0.000 0.898 355 R CB -0.426 29.816 30.300 -0.096 0.000 0.790 355 R HN 0.717 nan 8.270 nan 0.000 0.458 356 S N -0.645 114.977 115.700 -0.130 0.000 2.537 356 S HA 0.120 4.588 4.470 -0.003 0.000 0.286 356 S C 0.975 175.297 174.600 -0.464 0.000 1.299 356 S CA -0.026 58.051 58.200 -0.206 0.000 1.067 356 S CB 1.051 64.202 63.200 -0.081 0.000 0.864 356 S HN 0.550 nan 8.310 nan 0.000 0.494 357 G N 3.976 112.298 108.800 -0.798 0.000 2.956 357 G HA2 -0.035 3.923 3.960 -0.003 0.000 0.207 357 G HA3 -0.035 3.923 3.960 -0.003 0.000 0.207 357 G C 1.210 175.661 174.900 -0.748 0.000 1.162 357 G CA -0.171 44.313 45.100 -1.027 0.000 0.796 357 G HN 0.787 nan 8.290 nan 0.000 0.527 358 R N -0.460 119.666 120.500 -0.624 0.000 2.193 358 R HA 0.006 4.344 4.340 -0.003 0.000 0.213 358 R C 0.334 176.373 176.300 -0.436 0.000 1.055 358 R CA 0.642 56.471 56.100 -0.451 0.000 0.995 358 R CB -0.005 29.937 30.300 -0.596 0.000 0.893 358 R HN 0.402 nan 8.270 nan 0.000 0.459 359 Y N -0.045 120.216 120.300 -0.065 0.000 2.751 359 Y HA 0.402 4.950 4.550 -0.003 0.000 0.289 359 Y C -0.384 175.477 175.900 -0.065 0.000 1.110 359 Y CA -0.605 57.468 58.100 -0.044 0.000 1.251 359 Y CB 0.513 38.948 38.460 -0.042 0.000 1.178 359 Y HN -0.222 nan 8.280 nan 0.000 0.540 360 R N 1.525 122.033 120.500 0.012 0.000 2.547 360 R HA 0.216 4.554 4.340 -0.003 0.000 0.280 360 R C -2.281 174.081 176.300 0.103 0.000 1.630 360 R CA -1.315 54.801 56.100 0.028 0.000 1.470 360 R CB 1.164 31.409 30.300 -0.091 0.000 1.178 360 R HN 0.008 nan 8.270 nan 0.000 0.591 361 P HA -0.200 nan 4.420 nan 0.000 0.217 361 P C 1.072 178.415 177.300 0.072 0.000 1.148 361 P CA 1.469 64.621 63.100 0.086 0.000 0.828 361 P CB 0.373 32.113 31.700 0.067 0.000 0.783 362 M N -2.238 117.409 119.600 0.080 0.000 2.160 362 M HA -0.030 4.448 4.480 -0.003 0.000 0.264 362 M C 2.279 178.605 176.300 0.043 0.000 1.073 362 M CA 1.310 56.627 55.300 0.028 0.000 1.142 362 M CB -0.758 31.890 32.600 0.081 0.000 1.358 362 M HN -0.186 nan 8.290 nan 0.000 0.422 363 F N 1.897 121.867 119.950 0.033 0.000 2.043 363 F HA -0.295 4.230 4.527 -0.003 0.000 0.297 363 F C 2.133 177.989 175.800 0.093 0.000 1.121 363 F CA 1.907 59.964 58.000 0.096 0.000 1.199 363 F CB -0.356 38.643 39.000 -0.001 0.000 0.968 363 F HN -0.059 nan 8.300 nan 0.000 0.478 364 K N -0.057 120.474 120.400 0.218 0.000 2.207 364 K HA -0.249 4.069 4.320 -0.003 0.000 0.208 364 K C 1.936 178.668 176.600 0.220 0.000 1.046 364 K CA 1.741 58.138 56.287 0.183 0.000 0.929 364 K CB -0.431 32.228 32.500 0.265 0.000 0.720 364 K HN 0.345 nan 8.250 nan 0.000 0.463 365 I N -0.310 120.278 120.570 0.030 0.000 2.333 365 I HA -0.179 3.990 4.170 -0.003 0.000 0.246 365 I C 1.960 178.059 176.117 -0.030 0.000 1.106 365 I CA 1.363 62.647 61.300 -0.027 0.000 1.411 365 I CB -0.928 36.932 38.000 -0.234 0.000 1.082 365 I HN 0.088 nan 8.210 nan 0.000 0.420 366 Y N -0.221 120.123 120.300 0.073 0.000 2.314 366 Y HA -0.207 4.342 4.550 -0.003 0.000 0.293 366 Y C 2.433 178.327 175.900 -0.010 0.000 1.129 366 Y CA 0.638 58.823 58.100 0.142 0.000 1.201 366 Y CB -1.096 37.492 38.460 0.213 0.000 0.999 366 Y HN 0.079 nan 8.280 nan 0.000 0.541 367 F N -0.942 118.836 119.950 -0.285 0.000 2.075 367 F HA -0.220 4.305 4.527 -0.003 0.000 0.297 367 F C 1.644 177.193 175.800 -0.418 0.000 1.113 367 F CA 1.479 59.125 58.000 -0.590 0.000 1.218 367 F CB -0.781 37.714 39.000 -0.842 0.000 0.984 367 F HN -0.001 nan 8.300 nan 0.000 0.472 368 W N 0.560 122.003 121.300 0.238 0.000 2.468 368 W HA -0.084 4.575 4.660 -0.002 0.000 0.262 368 W C 2.152 178.630 176.519 -0.067 0.000 1.241 368 W CA 0.693 58.102 57.345 0.107 0.000 1.232 368 W CB -0.421 29.127 29.460 0.145 0.000 1.124 368 W HN 0.089 nan 8.180 nan 0.000 0.597 369 L N -0.854 120.428 121.223 0.098 0.000 2.131 369 L HA -0.157 4.181 4.340 -0.003 0.000 0.206 369 L C 2.354 179.247 176.870 0.038 0.000 1.087 369 L CA 0.487 55.317 54.840 -0.016 0.000 0.767 369 L CB -0.791 41.152 42.059 -0.193 0.000 0.917 369 L HN 0.005 nan 8.230 nan 0.000 0.441 370 L N 0.160 121.381 121.223 -0.004 0.000 2.046 370 L HA -0.155 4.183 4.340 -0.003 0.000 0.208 370 L C 2.605 179.401 176.870 -0.124 0.000 1.077 370 L CA 2.045 56.792 54.840 -0.154 0.000 0.747 370 L CB -0.690 40.797 42.059 -0.952 0.000 0.896 370 L HN 0.153 nan 8.230 nan 0.000 0.432 371 A N -0.448 122.132 122.820 -0.399 0.000 1.858 371 A HA -0.127 4.191 4.320 -0.003 0.000 0.216 371 A C 2.459 179.978 177.584 -0.108 0.000 1.190 371 A CA 1.999 53.746 52.037 -0.484 0.000 0.617 371 A CB -1.328 17.355 19.000 -0.528 0.000 0.827 371 A HN 0.560 nan 8.150 nan 0.000 0.443 372 A N -0.357 122.462 122.820 -0.002 0.000 1.940 372 A HA -0.218 4.100 4.320 -0.003 0.000 0.219 372 A C 1.820 179.445 177.584 0.068 0.000 1.176 372 A CA 2.269 54.327 52.037 0.035 0.000 0.631 372 A CB -0.740 18.276 19.000 0.025 0.000 0.814 372 A HN 0.554 nan 8.150 nan 0.000 0.446 373 D N -1.515 118.962 120.400 0.128 0.000 2.117 373 D HA -0.157 4.482 4.640 -0.003 0.000 0.197 373 D C 1.581 178.015 176.300 0.223 0.000 0.987 373 D CA 1.311 55.441 54.000 0.216 0.000 0.829 373 D CB -0.254 40.788 40.800 0.404 0.000 0.961 373 D HN 0.386 nan 8.370 nan 0.000 0.460 374 F N 0.194 120.212 119.950 0.113 0.000 2.134 374 F HA -0.131 4.394 4.527 -0.003 0.000 0.299 374 F C 2.087 177.866 175.800 -0.035 0.000 1.097 374 F CA 0.973 58.992 58.000 0.031 0.000 1.264 374 F CB -0.263 38.815 39.000 0.129 0.000 1.001 374 F HN -0.121 nan 8.300 nan 0.000 0.479 375 V N 0.562 120.526 119.914 0.084 0.000 2.358 375 V HA -0.295 3.823 4.120 -0.003 0.000 0.246 375 V C 2.382 178.488 176.094 0.021 0.000 1.047 375 V CA 2.028 64.337 62.300 0.016 0.000 1.035 375 V CB -0.582 31.263 31.823 0.037 0.000 0.658 375 V HN 0.339 nan 8.190 nan 0.000 0.452 376 I N -0.703 119.897 120.570 0.050 0.000 2.202 376 I HA -0.226 3.942 4.170 -0.003 0.000 0.242 376 I C 2.385 178.592 176.117 0.149 0.000 1.091 376 I CA 1.420 62.801 61.300 0.136 0.000 1.368 376 I CB -0.299 37.761 38.000 0.100 0.000 1.058 376 I HN 0.233 nan 8.210 nan 0.000 0.410 377 L N 0.218 121.437 121.223 -0.006 0.000 2.013 377 L HA -0.286 4.052 4.340 -0.003 0.000 0.212 377 L C 2.673 179.434 176.870 -0.183 0.000 1.073 377 L CA 1.872 56.634 54.840 -0.130 0.000 0.753 377 L CB -0.711 41.174 42.059 -0.290 0.000 0.890 377 L HN 0.295 nan 8.230 nan 0.000 0.432 378 T N -1.632 112.771 114.554 -0.253 0.000 2.684 378 T HA -0.283 4.065 4.350 -0.003 0.000 0.267 378 T C 1.256 175.925 174.700 -0.051 0.000 1.036 378 T CA 1.762 63.739 62.100 -0.205 0.000 1.148 378 T CB -0.478 68.254 68.868 -0.227 0.000 0.863 378 T HN 0.558 nan 8.240 nan 0.000 0.436 379 W N 1.841 123.060 121.300 -0.135 0.000 2.342 379 W HA -0.161 4.498 4.660 -0.003 0.000 0.297 379 W C 1.901 178.353 176.519 -0.112 0.000 1.213 379 W CA 0.673 57.957 57.345 -0.102 0.000 1.251 379 W CB -0.530 28.885 29.460 -0.076 0.000 1.136 379 W HN 0.004 nan 8.180 nan 0.000 0.526 380 V N 1.176 120.937 119.914 -0.255 0.000 2.453 380 V HA -0.141 3.977 4.120 -0.003 0.000 0.247 380 V C 2.505 178.352 176.094 -0.411 0.000 1.048 380 V CA 1.869 63.871 62.300 -0.495 0.000 1.049 380 V CB -1.748 29.979 31.823 -0.159 0.000 0.672 380 V HN 0.400 nan 8.190 nan 0.000 0.457 381 G N 0.041 108.711 108.800 -0.217 0.000 2.499 381 G HA2 -0.198 3.760 3.960 -0.003 0.000 0.221 381 G HA3 -0.198 3.760 3.960 -0.003 0.000 0.221 381 G C 1.472 176.367 174.900 -0.009 0.000 1.109 381 G CA 1.018 46.116 45.100 -0.003 0.000 0.749 381 G HN 0.648 nan 8.290 nan 0.000 0.568 382 A N -1.066 121.602 122.820 -0.253 0.000 2.275 382 A HA 0.328 4.646 4.320 -0.003 0.000 0.212 382 A C 1.479 178.815 177.584 -0.413 0.000 1.201 382 A CA 0.289 52.154 52.037 -0.287 0.000 0.843 382 A CB 0.081 18.901 19.000 -0.299 0.000 0.873 382 A HN 0.334 nan 8.150 nan 0.000 0.492 383 Q N -0.066 119.368 119.800 -0.611 0.000 2.199 383 Q HA 0.366 4.705 4.340 -0.003 0.000 0.205 383 Q C -0.340 175.368 176.000 -0.487 0.000 1.001 383 Q CA -0.349 54.984 55.803 -0.782 0.000 1.019 383 Q CB 0.142 27.931 28.738 -1.583 0.000 1.132 383 Q HN 0.557 nan 8.270 nan 0.000 0.530 384 Q N 0.023 119.560 119.800 -0.438 0.000 2.318 384 Q HA 0.183 4.521 4.340 -0.003 0.000 0.222 384 Q C 0.755 176.713 176.000 -0.070 0.000 1.003 384 Q CA 0.070 55.786 55.803 -0.145 0.000 0.936 384 Q CB 0.503 29.233 28.738 -0.013 0.000 1.204 384 Q HN 0.654 nan 8.270 nan 0.000 0.524 385 T N -2.970 111.568 114.554 -0.025 0.000 3.148 385 T HA -0.020 4.328 4.350 -0.003 0.000 0.253 385 T C 0.901 175.628 174.700 0.045 0.000 1.134 385 T CA 0.190 62.274 62.100 -0.027 0.000 1.051 385 T CB -0.556 68.272 68.868 -0.067 0.000 0.959 385 T HN 0.732 nan 8.240 nan 0.000 0.525 386 T N 0.281 114.909 114.554 0.123 0.000 2.766 386 T HA 0.414 4.762 4.350 -0.003 0.000 0.295 386 T C -0.039 174.749 174.700 0.147 0.000 1.024 386 T CA -0.951 61.240 62.100 0.150 0.000 1.018 386 T CB 0.210 69.177 68.868 0.164 0.000 1.002 386 T HN 0.172 nan 8.240 nan 0.000 0.532 387 F N 3.359 123.323 119.950 0.024 0.000 2.563 387 F HA 0.329 4.854 4.527 -0.003 0.000 0.363 387 F C -1.211 174.461 175.800 -0.213 0.000 1.123 387 F CA -1.934 56.062 58.000 -0.007 0.000 1.307 387 F CB 0.798 39.820 39.000 0.037 0.000 1.115 387 F HN 0.432 nan 8.300 nan 0.000 0.592 388 P HA -0.010 nan 4.420 nan 0.000 0.267 388 P C 0.669 177.615 177.300 -0.591 0.000 1.289 388 P CA 0.578 62.794 63.100 -1.473 0.000 0.866 388 P CB -0.051 30.811 31.700 -1.396 0.000 1.309 389 Y N 2.606 122.780 120.300 -0.211 0.000 2.207 389 Y HA -0.205 4.343 4.550 -0.003 0.000 0.287 389 Y C 2.370 178.177 175.900 -0.156 0.000 1.156 389 Y CA 1.613 59.623 58.100 -0.150 0.000 1.182 389 Y CB -1.534 36.813 38.460 -0.190 0.000 0.979 389 Y HN 0.109 nan 8.280 nan 0.000 0.521 390 D N -1.395 118.983 120.400 -0.037 0.000 2.218 390 D HA -0.244 4.394 4.640 -0.003 0.000 0.204 390 D C 1.689 177.787 176.300 -0.336 0.000 0.976 390 D CA 1.168 55.052 54.000 -0.195 0.000 0.853 390 D CB -0.955 39.723 40.800 -0.204 0.000 0.939 390 D HN 0.439 nan 8.370 nan 0.000 0.481 391 W N 0.814 122.039 121.300 -0.126 0.000 2.488 391 W HA 0.235 4.893 4.660 -0.003 0.000 0.304 391 W C 2.630 179.096 176.519 -0.088 0.000 1.175 391 W CA 0.107 57.386 57.345 -0.110 0.000 1.365 391 W CB -0.286 29.108 29.460 -0.111 0.000 1.131 391 W HN -0.173 nan 8.180 nan 0.000 0.520 392 I N 0.411 121.069 120.570 0.146 0.000 2.151 392 I HA -0.418 3.751 4.170 -0.003 0.000 0.243 392 I C 2.675 178.838 176.117 0.076 0.000 1.080 392 I CA 1.919 63.299 61.300 0.133 0.000 1.339 392 I CB -1.070 37.048 38.000 0.197 0.000 1.039 392 I HN -0.004 nan 8.210 nan 0.000 0.409 393 S N 1.172 116.869 115.700 -0.005 0.000 2.368 393 S HA -0.182 4.286 4.470 -0.003 0.000 0.225 393 S C 2.083 176.598 174.600 -0.143 0.000 1.030 393 S CA 1.077 59.219 58.200 -0.096 0.000 0.999 393 S CB -0.760 62.324 63.200 -0.193 0.000 0.844 393 S HN 0.434 nan 8.310 nan 0.000 0.459 394 L N 0.598 121.701 121.223 -0.199 0.000 2.005 394 L HA -0.013 4.326 4.340 -0.003 0.000 0.207 394 L C 2.623 179.483 176.870 -0.017 0.000 1.072 394 L CA 1.667 56.365 54.840 -0.238 0.000 0.744 394 L CB -0.463 41.356 42.059 -0.400 0.000 0.895 394 L HN 0.376 nan 8.230 nan 0.000 0.433 395 I N -0.491 120.128 120.570 0.083 0.000 2.226 395 I HA -0.282 3.886 4.170 -0.003 0.000 0.245 395 I C 2.768 179.012 176.117 0.212 0.000 1.100 395 I CA 1.112 62.514 61.300 0.171 0.000 1.374 395 I CB -0.581 37.527 38.000 0.180 0.000 1.057 395 I HN 0.214 nan 8.210 nan 0.000 0.413 396 A N 0.674 123.596 122.820 0.170 0.000 1.865 396 A HA -0.218 4.100 4.320 -0.003 0.000 0.217 396 A C 2.528 180.283 177.584 0.284 0.000 1.191 396 A CA 2.400 54.565 52.037 0.214 0.000 0.623 396 A CB -0.949 18.127 19.000 0.127 0.000 0.826 396 A HN 0.404 nan 8.150 nan 0.000 0.444 397 S N 0.250 116.074 115.700 0.206 0.000 2.365 397 S HA -0.145 4.323 4.470 -0.003 0.000 0.225 397 S C 2.296 177.242 174.600 0.577 0.000 1.039 397 S CA 1.457 59.864 58.200 0.344 0.000 1.033 397 S CB -0.683 62.670 63.200 0.255 0.000 0.887 397 S HN 0.852 nan 8.310 nan 0.000 0.447 398 A N 0.948 124.033 122.820 0.440 0.000 1.865 398 A HA -0.177 4.141 4.320 -0.003 0.000 0.217 398 A C 2.002 179.848 177.584 0.435 0.000 1.191 398 A CA 1.883 54.179 52.037 0.431 0.000 0.623 398 A CB -1.190 17.993 19.000 0.305 0.000 0.826 398 A HN 0.553 nan 8.150 nan 0.000 0.444 399 Y N -1.005 119.471 120.300 0.294 0.000 2.315 399 Y HA -0.229 4.320 4.550 -0.003 0.000 0.288 399 Y C 2.183 178.247 175.900 0.273 0.000 1.154 399 Y CA 1.193 59.435 58.100 0.237 0.000 1.229 399 Y CB -0.322 38.245 38.460 0.179 0.000 0.980 399 Y HN 0.579 nan 8.280 nan 0.000 0.540 400 W N -0.024 121.313 121.300 0.063 0.000 2.353 400 W HA -0.288 4.370 4.660 -0.003 0.000 0.319 400 W C 1.546 178.075 176.519 0.017 0.000 1.207 400 W CA 2.143 59.474 57.345 -0.024 0.000 1.291 400 W CB -0.982 28.451 29.460 -0.045 0.000 1.159 400 W HN 0.131 nan 8.180 nan 0.000 0.478 401 F N 1.068 121.198 119.950 0.301 0.000 2.234 401 F HA -0.083 4.442 4.527 -0.003 0.000 0.299 401 F C 2.729 178.551 175.800 0.037 0.000 1.087 401 F CA 1.708 59.830 58.000 0.203 0.000 1.340 401 F CB -1.409 37.716 39.000 0.209 0.000 1.031 401 F HN -0.119 nan 8.300 nan 0.000 0.500 402 A N -0.084 122.831 122.820 0.159 0.000 1.873 402 A HA -0.322 3.996 4.320 -0.003 0.000 0.218 402 A C 2.096 179.541 177.584 -0.233 0.000 1.193 402 A CA 2.041 54.067 52.037 -0.018 0.000 0.629 402 A CB -1.618 17.380 19.000 -0.003 0.000 0.826 402 A HN 0.495 nan 8.150 nan 0.000 0.447 403 Y N -0.700 119.210 120.300 -0.650 0.000 2.128 403 Y HA -0.244 4.304 4.550 -0.003 0.000 0.284 403 Y C 1.956 177.439 175.900 -0.694 0.000 1.154 403 Y CA 2.257 59.860 58.100 -0.828 0.000 1.149 403 Y CB -0.413 37.314 38.460 -1.222 0.000 0.976 403 Y HN 0.276 nan 8.280 nan 0.000 0.505 404 F N -0.826 118.881 119.950 -0.406 0.000 2.179 404 F HA -0.049 4.476 4.527 -0.003 0.000 0.292 404 F C 2.104 177.767 175.800 -0.229 0.000 1.089 404 F CA 1.047 58.826 58.000 -0.368 0.000 1.295 404 F CB -0.578 38.265 39.000 -0.261 0.000 1.041 404 F HN -0.055 nan 8.300 nan 0.000 0.487 405 L N -1.131 120.130 121.223 0.062 0.000 2.240 405 L HA -0.063 4.275 4.340 -0.003 0.000 0.211 405 L C 1.669 178.530 176.870 -0.015 0.000 1.106 405 L CA 0.463 55.339 54.840 0.060 0.000 0.793 405 L CB -0.274 41.870 42.059 0.141 0.000 0.927 405 L HN 0.016 nan 8.230 nan 0.000 0.446 406 V N -1.253 118.614 119.914 -0.079 0.000 3.001 406 V HA 0.020 4.138 4.120 -0.003 0.000 0.228 406 V C 2.040 178.030 176.094 -0.172 0.000 1.204 406 V CA 0.126 62.371 62.300 -0.091 0.000 1.247 406 V CB 0.134 31.922 31.823 -0.058 0.000 1.093 406 V HN 0.075 nan 8.190 nan 0.000 0.504 407 I N 0.621 121.021 120.570 -0.283 0.000 2.087 407 I HA -0.346 3.822 4.170 -0.003 0.000 0.240 407 I C 2.474 178.393 176.117 -0.330 0.000 1.054 407 I CA 2.062 63.126 61.300 -0.393 0.000 1.311 407 I CB -0.478 37.149 38.000 -0.621 0.000 1.024 407 I HN 0.262 nan 8.210 nan 0.000 0.402 408 L N 0.112 121.067 121.223 -0.447 0.000 2.042 408 L HA -0.163 4.175 4.340 -0.003 0.000 0.210 408 L C -0.188 176.598 176.870 -0.139 0.000 1.076 408 L CA 1.758 56.412 54.840 -0.309 0.000 0.749 408 L CB -1.840 39.966 42.059 -0.421 0.000 0.893 408 L HN 0.197 nan 8.230 nan 0.000 0.432 409 P HA -0.162 nan 4.420 nan 0.000 0.216 409 P C 1.675 178.953 177.300 -0.035 0.000 1.153 409 P CA 1.296 64.365 63.100 -0.053 0.000 0.848 409 P CB 0.095 31.774 31.700 -0.036 0.000 0.787 410 I N -1.496 119.045 120.570 -0.048 0.000 2.252 410 I HA -0.155 4.013 4.170 -0.003 0.000 0.245 410 I C 2.194 178.316 176.117 0.008 0.000 1.102 410 I CA 1.261 62.550 61.300 -0.019 0.000 1.385 410 I CB -1.123 36.861 38.000 -0.026 0.000 1.064 410 I HN -0.154 nan 8.210 nan 0.000 0.414 411 L N -0.082 121.151 121.223 0.016 0.000 2.191 411 L HA -0.144 4.194 4.340 -0.003 0.000 0.212 411 L C 2.506 179.404 176.870 0.048 0.000 1.103 411 L CA 1.294 56.180 54.840 0.075 0.000 0.769 411 L CB -1.063 41.081 42.059 0.142 0.000 0.908 411 L HN 0.363 nan 8.230 nan 0.000 0.438 412 G N -0.544 108.265 108.800 0.016 0.000 2.440 412 G HA2 -0.263 3.695 3.960 -0.003 0.000 0.218 412 G HA3 -0.263 3.695 3.960 -0.003 0.000 0.218 412 G C 1.650 176.555 174.900 0.008 0.000 1.154 412 G CA 0.869 45.971 45.100 0.003 0.000 0.767 412 G HN 0.492 nan 8.290 nan 0.000 0.552 413 A N -0.398 122.430 122.820 0.013 0.000 1.997 413 A HA 0.444 4.762 4.320 -0.003 0.000 0.212 413 A C 2.154 179.751 177.584 0.023 0.000 1.178 413 A CA 0.274 52.320 52.037 0.015 0.000 0.698 413 A CB 0.031 19.039 19.000 0.014 0.000 0.842 413 A HN 0.335 nan 8.150 nan 0.000 0.458 414 I N -0.709 119.881 120.570 0.033 0.000 3.627 414 I HA -0.035 4.133 4.170 -0.003 0.000 0.221 414 I C 1.099 177.244 176.117 0.046 0.000 1.024 414 I CA 0.001 61.327 61.300 0.043 0.000 1.456 414 I CB -0.525 37.510 38.000 0.059 0.000 1.325 414 I HN 0.351 nan 8.210 nan 0.000 0.426 415 E N 3.014 123.252 120.200 0.064 0.000 3.669 415 E HA -0.236 4.112 4.350 -0.003 0.000 0.307 415 E C -0.633 175.993 176.600 0.043 0.000 0.807 415 E CA 0.821 57.259 56.400 0.065 0.000 1.014 415 E CB 0.249 30.002 29.700 0.090 0.000 0.979 415 E HN 0.220 nan 8.360 nan 0.000 0.535 416 K N 5.940 126.364 120.400 0.040 0.000 2.263 416 K HA 0.275 4.594 4.320 -0.003 0.000 0.282 416 K C -2.188 174.430 176.600 0.030 0.000 1.089 416 K CA -1.652 54.652 56.287 0.028 0.000 0.907 416 K CB 1.060 33.574 32.500 0.024 0.000 1.148 416 K HN 0.352 nan 8.250 nan 0.000 0.470 417 P HA -0.011 nan 4.420 nan 0.000 0.271 417 P C -0.400 176.914 177.300 0.024 0.000 1.244 417 P CA -0.414 62.700 63.100 0.024 0.000 0.793 417 P CB 0.609 32.313 31.700 0.006 0.000 0.984 418 V N -0.187 119.752 119.914 0.042 0.000 3.302 418 V HA 0.582 4.700 4.120 -0.003 0.000 0.316 418 V C 0.261 176.311 176.094 -0.074 0.000 1.111 418 V CA -0.932 61.379 62.300 0.018 0.000 1.029 418 V CB 1.238 33.115 31.823 0.091 0.000 1.170 418 V HN 0.598 nan 8.190 nan 0.000 0.452 419 A N 3.061 125.804 122.820 -0.127 0.000 2.376 419 A HA 0.580 4.898 4.320 -0.003 0.000 0.298 419 A C -2.043 175.287 177.584 -0.424 0.000 1.271 419 A CA -1.063 50.855 52.037 -0.197 0.000 0.926 419 A CB -0.555 18.368 19.000 -0.128 0.000 1.141 419 A HN 0.605 nan 8.150 nan 0.000 0.539 420 P HA 0.372 nan 4.420 nan 0.000 0.286 420 P C -2.712 174.364 177.300 -0.374 0.000 1.269 420 P CA -1.397 61.245 63.100 -0.764 0.000 0.787 420 P CB 0.367 31.805 31.700 -0.438 0.000 0.920 421 P HA -0.096 nan 4.420 nan 0.000 0.269 421 P C 0.816 178.070 177.300 -0.076 0.000 1.185 421 P CA 0.408 63.439 63.100 -0.115 0.000 0.769 421 P CB 0.267 31.954 31.700 -0.023 0.000 0.809 422 A N 1.537 124.327 122.820 -0.050 0.000 2.072 422 A HA 0.135 4.453 4.320 -0.003 0.000 0.216 422 A C 0.869 178.444 177.584 -0.015 0.000 1.156 422 A CA 1.666 53.682 52.037 -0.035 0.000 0.701 422 A CB -0.493 18.488 19.000 -0.030 0.000 0.816 422 A HN 0.633 nan 8.150 nan 0.000 0.458 423 T N -4.345 110.207 114.554 -0.003 0.000 2.916 423 T HA 0.569 4.917 4.350 -0.003 0.000 0.305 423 T C 0.682 175.397 174.700 0.026 0.000 1.119 423 T CA -0.486 61.620 62.100 0.010 0.000 1.008 423 T CB 0.878 69.753 68.868 0.012 0.000 1.129 423 T HN 0.043 nan 8.240 nan 0.000 0.480 424 I N 0.858 121.443 120.570 0.025 0.000 2.361 424 I HA -0.113 4.055 4.170 -0.003 0.000 0.251 424 I C 2.689 178.851 176.117 0.075 0.000 1.133 424 I CA 1.474 62.793 61.300 0.031 0.000 1.413 424 I CB -0.287 37.709 38.000 -0.007 0.000 1.073 424 I HN 0.894 nan 8.210 nan 0.000 0.424 425 E N 1.734 121.978 120.200 0.073 0.000 2.012 425 E HA -0.325 4.023 4.350 -0.003 0.000 0.197 425 E C 2.166 178.824 176.600 0.098 0.000 1.007 425 E CA 1.800 58.266 56.400 0.110 0.000 0.816 425 E CB -0.228 29.510 29.700 0.064 0.000 0.762 425 E HN 0.466 nan 8.360 nan 0.000 0.451 426 E N 0.447 120.678 120.200 0.052 0.000 2.136 426 E HA -0.311 4.037 4.350 -0.003 0.000 0.202 426 E C 1.914 178.543 176.600 0.048 0.000 1.019 426 E CA 1.896 58.315 56.400 0.031 0.000 0.819 426 E CB -0.299 29.410 29.700 0.014 0.000 0.739 426 E HN 0.335 nan 8.360 nan 0.000 0.458 427 D N -0.559 119.888 120.400 0.080 0.000 2.123 427 D HA -0.148 4.490 4.640 -0.003 0.000 0.200 427 D C 1.890 178.284 176.300 0.157 0.000 0.976 427 D CA 0.716 54.780 54.000 0.106 0.000 0.831 427 D CB -0.358 40.512 40.800 0.116 0.000 0.974 427 D HN 0.210 nan 8.370 nan 0.000 0.469 428 F N 2.558 122.500 119.950 -0.013 0.000 2.075 428 F HA -0.137 4.389 4.527 -0.002 0.000 0.297 428 F C 2.060 177.845 175.800 -0.026 0.000 1.113 428 F CA 1.320 59.305 58.000 -0.026 0.000 1.218 428 F CB -0.920 38.057 39.000 -0.038 0.000 0.984 428 F HN -0.028 nan 8.300 nan 0.000 0.472 429 N N 1.013 119.633 118.700 -0.134 0.000 2.137 429 N HA -0.148 4.590 4.740 -0.003 0.000 0.190 429 N C 1.138 176.547 175.510 -0.168 0.000 1.017 429 N CA 1.005 53.904 53.050 -0.252 0.000 0.859 429 N CB -0.803 37.609 38.487 -0.126 0.000 1.002 429 N HN 0.328 nan 8.380 nan 0.000 0.428 430 A N 0.000 122.780 122.820 -0.067 0.000 2.254 430 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 430 A CA 0.000 52.015 52.037 -0.036 0.000 0.836 430 A CB 0.000 19.006 19.000 0.010 0.000 0.831 430 A HN 0.000 nan 8.150 nan 0.000 0.486