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_A 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 3.960 3.960 -0.000 0.000 0.244 3 G C 0.000 174.906 174.900 0.010 0.000 0.946 3 G CA 0.000 45.115 45.100 0.026 0.000 0.502 4 I N 2.056 122.605 120.570 -0.034 0.000 2.371 4 I HA 0.360 4.530 4.170 -0.000 0.000 0.290 4 I C -2.106 174.013 176.117 0.004 0.000 1.028 4 I CA -2.482 58.799 61.300 -0.033 0.000 1.345 4 I CB 0.929 38.887 38.000 -0.070 0.000 1.407 4 I HN -0.178 nan 8.210 nan 0.000 0.501 5 P HA 0.075 nan 4.420 nan 0.000 0.260 5 P C -0.922 176.492 177.300 0.190 0.000 1.185 5 P CA 0.711 63.881 63.100 0.116 0.000 0.763 5 P CB 0.182 31.921 31.700 0.066 0.000 0.776 6 H N 0.594 119.665 119.070 0.002 0.000 2.981 6 H HA 0.447 5.003 4.556 -0.000 0.000 0.327 6 H C -1.236 174.081 175.328 -0.020 0.000 1.342 6 H CA -1.341 54.718 56.048 0.019 0.000 1.123 6 H CB 0.358 30.149 29.762 0.049 0.000 1.851 6 H HN 0.325 nan 8.280 nan 0.000 0.531 7 D N -0.438 119.918 120.400 -0.074 0.000 2.437 7 D HA 0.390 5.030 4.640 -0.000 0.000 0.259 7 D C 0.230 176.473 176.300 -0.096 0.000 1.118 7 D CA -0.527 53.402 54.000 -0.118 0.000 1.017 7 D CB 1.327 42.183 40.800 0.095 0.000 1.120 7 D HN 0.774 nan 8.370 nan 0.000 0.541 8 H N -3.108 115.980 119.070 0.030 0.000 2.824 8 H HA 0.358 4.914 4.556 -0.000 0.000 0.345 8 H C -1.036 174.384 175.328 0.154 0.000 1.252 8 H CA -1.398 54.749 56.048 0.164 0.000 1.246 8 H CB 0.628 30.433 29.762 0.072 0.000 1.908 8 H HN 0.502 nan 8.280 nan 0.000 0.601 9 Y N 0.960 121.293 120.300 0.054 0.000 2.397 9 Y HA 0.220 4.770 4.550 -0.000 0.000 0.335 9 Y C -0.663 175.077 175.900 -0.267 0.000 1.213 9 Y CA -0.044 57.762 58.100 -0.491 0.000 1.391 9 Y CB 0.767 38.927 38.460 -0.499 0.000 1.293 9 Y HN 0.672 nan 8.280 nan 0.000 0.557 10 E N 6.301 125.919 120.200 -0.970 0.000 2.304 10 E HA 0.278 4.628 4.350 -0.000 0.000 0.277 10 E C -2.804 173.217 176.600 -0.966 0.000 0.898 10 E CA -2.367 53.523 56.400 -0.850 0.000 0.764 10 E CB 1.854 31.282 29.700 -0.453 0.000 1.216 10 E HN 0.450 nan 8.360 nan 0.000 0.419 11 P HA 0.010 nan 4.420 nan 0.000 0.260 11 P C 0.053 177.204 177.300 -0.248 0.000 1.207 11 P CA 0.014 62.846 63.100 -0.446 0.000 0.780 11 P CB 0.601 32.128 31.700 -0.288 0.000 0.789 12 R N 1.636 122.046 120.500 -0.150 0.000 2.023 12 R HA 0.113 4.453 4.340 -0.000 0.000 0.217 12 R C 0.924 177.205 176.300 -0.031 0.000 1.255 12 R CA 1.009 57.063 56.100 -0.076 0.000 0.981 12 R CB -1.299 28.982 30.300 -0.032 0.000 0.853 12 R HN 0.335 nan 8.270 nan 0.000 0.463 13 T N -0.115 114.443 114.554 0.007 0.000 2.619 13 T HA 0.122 4.472 4.350 -0.000 0.000 0.330 13 T C 1.549 176.267 174.700 0.030 0.000 1.037 13 T CA 0.406 62.518 62.100 0.021 0.000 1.005 13 T CB 0.298 69.188 68.868 0.036 0.000 1.084 13 T HN 0.447 nan 8.240 nan 0.000 0.521 14 G N -0.523 108.298 108.800 0.035 0.000 2.411 14 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.213 14 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.213 14 G C 1.508 176.473 174.900 0.109 0.000 1.166 14 G CA 0.076 45.209 45.100 0.055 0.000 0.802 14 G HN 0.685 nan 8.290 nan 0.000 0.533 15 I N 0.816 121.435 120.570 0.082 0.000 2.315 15 I HA -0.193 3.977 4.170 -0.000 0.000 0.251 15 I C 2.646 178.894 176.117 0.219 0.000 1.125 15 I CA 1.228 62.601 61.300 0.121 0.000 1.392 15 I CB -0.203 37.830 38.000 0.055 0.000 1.065 15 I HN 0.270 nan 8.210 nan 0.000 0.424 16 E N 0.911 121.213 120.200 0.169 0.000 2.107 16 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 16 E C 2.118 178.836 176.600 0.196 0.000 0.982 16 E CA 0.865 57.385 56.400 0.200 0.000 0.809 16 E CB 0.048 29.848 29.700 0.167 0.000 0.756 16 E HN 0.478 nan 8.360 nan 0.000 0.459 17 K N -0.133 120.348 120.400 0.134 0.000 2.155 17 K HA -0.140 4.180 4.320 -0.000 0.000 0.203 17 K C 1.748 178.440 176.600 0.152 0.000 1.052 17 K CA 0.894 57.234 56.287 0.088 0.000 0.948 17 K CB -0.097 32.425 32.500 0.035 0.000 0.728 17 K HN 0.188 nan 8.250 nan 0.000 0.448 18 W N 1.531 122.852 121.300 0.035 0.000 2.408 18 W HA -0.146 4.514 4.660 -0.000 0.000 0.311 18 W C 1.777 178.325 176.519 0.048 0.000 1.190 18 W CA 0.779 58.143 57.345 0.032 0.000 1.321 18 W CB -0.359 29.113 29.460 0.020 0.000 1.143 18 W HN -0.060 nan 8.180 nan 0.000 0.501 19 L N 0.345 121.727 121.223 0.265 0.000 2.083 19 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 19 L C 2.682 179.538 176.870 -0.024 0.000 1.083 19 L CA 2.316 57.203 54.840 0.078 0.000 0.752 19 L CB -1.488 40.714 42.059 0.238 0.000 0.899 19 L HN 0.181 nan 8.230 nan 0.000 0.433 20 H N -0.701 118.370 119.070 0.002 0.000 2.389 20 H HA -0.064 4.492 4.556 -0.000 0.000 0.299 20 H C 2.109 177.391 175.328 -0.075 0.000 1.081 20 H CA 1.538 57.585 56.048 -0.002 0.000 1.345 20 H CB 0.082 29.862 29.762 0.029 0.000 1.393 20 H HN 0.534 nan 8.280 nan 0.000 0.520 21 S N -0.106 115.640 115.700 0.077 0.000 2.603 21 S HA 0.031 4.501 4.470 -0.000 0.000 0.229 21 S C 1.858 176.382 174.600 -0.128 0.000 0.972 21 S CA 0.327 58.523 58.200 -0.006 0.000 0.935 21 S CB 0.185 63.348 63.200 -0.062 0.000 0.769 21 S HN 0.396 nan 8.310 nan 0.000 0.536 22 R N -0.592 119.779 120.500 -0.215 0.000 2.167 22 R HA 0.489 4.829 4.340 -0.000 0.000 0.195 22 R C -0.680 175.503 176.300 -0.194 0.000 1.027 22 R CA 0.095 56.039 56.100 -0.258 0.000 1.114 22 R CB 0.184 30.210 30.300 -0.455 0.000 1.075 22 R HN 0.341 nan 8.270 nan 0.000 0.538 23 L N 2.221 123.327 121.223 -0.195 0.000 2.611 23 L HA 0.333 4.673 4.340 -0.000 0.000 0.263 23 L C -2.711 174.042 176.870 -0.196 0.000 0.969 23 L CA -1.716 53.026 54.840 -0.164 0.000 0.894 23 L CB 2.142 44.124 42.059 -0.128 0.000 1.229 23 L HN -0.113 nan 8.230 nan 0.000 0.416 24 P HA 0.146 nan 4.420 nan 0.000 0.238 24 P C 0.991 178.170 177.300 -0.202 0.000 1.714 24 P CA 0.109 62.990 63.100 -0.364 0.000 0.908 24 P CB -0.201 31.222 31.700 -0.461 0.000 1.893 25 I N -1.004 119.478 120.570 -0.146 0.000 2.315 25 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 25 I C 2.291 178.327 176.117 -0.135 0.000 1.117 25 I CA 0.994 62.224 61.300 -0.117 0.000 1.404 25 I CB -0.852 37.097 38.000 -0.084 0.000 1.071 25 I HN -0.087 nan 8.210 nan 0.000 0.419 26 V N 1.449 121.271 119.914 -0.153 0.000 2.343 26 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 26 V C 2.877 178.683 176.094 -0.479 0.000 1.051 26 V CA 1.871 64.006 62.300 -0.275 0.000 1.036 26 V CB -1.272 30.408 31.823 -0.238 0.000 0.654 26 V HN 0.492 nan 8.190 nan 0.000 0.451 27 A N 0.540 123.169 122.820 -0.318 0.000 1.841 27 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 27 A C 2.293 179.881 177.584 0.007 0.000 1.199 27 A CA 2.339 54.331 52.037 -0.074 0.000 0.621 27 A CB -0.810 18.295 19.000 0.174 0.000 0.835 27 A HN 0.516 nan 8.150 nan 0.000 0.445 28 L N -0.659 120.551 121.223 -0.022 0.000 2.043 28 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 28 L C 2.618 179.473 176.870 -0.024 0.000 1.075 28 L CA 2.083 56.914 54.840 -0.014 0.000 0.752 28 L CB -0.363 41.651 42.059 -0.074 0.000 0.891 28 L HN 0.380 nan 8.230 nan 0.000 0.432 29 A N -1.240 121.541 122.820 -0.065 0.000 2.019 29 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 29 A C 2.083 179.663 177.584 -0.007 0.000 1.164 29 A CA 1.660 53.661 52.037 -0.060 0.000 0.644 29 A CB -0.938 18.008 19.000 -0.091 0.000 0.805 29 A HN 0.728 nan 8.150 nan 0.000 0.449 30 Y N 1.116 121.333 120.300 -0.137 0.000 2.153 30 Y HA -0.139 4.411 4.550 -0.000 0.000 0.289 30 Y C 1.713 177.669 175.900 0.093 0.000 1.127 30 Y CA 1.849 59.913 58.100 -0.061 0.000 1.131 30 Y CB -0.140 38.232 38.460 -0.147 0.000 0.995 30 Y HN 0.332 nan 8.280 nan 0.000 0.505 31 D N -0.774 119.746 120.400 0.200 0.000 2.265 31 D HA -0.152 4.488 4.640 -0.000 0.000 0.208 31 D C 1.896 178.274 176.300 0.130 0.000 0.977 31 D CA 1.699 55.819 54.000 0.200 0.000 0.871 31 D CB -0.287 40.682 40.800 0.282 0.000 0.925 31 D HN 0.396 nan 8.370 nan 0.000 0.485 32 T N 0.422 115.009 114.554 0.055 0.000 2.894 32 T HA -0.009 4.341 4.350 -0.000 0.000 0.258 32 T C 1.763 176.584 174.700 0.202 0.000 1.043 32 T CA -0.019 62.091 62.100 0.016 0.000 1.141 32 T CB 0.136 68.921 68.868 -0.138 0.000 0.873 32 T HN 0.017 nan 8.240 nan 0.000 0.449 33 I N 0.854 121.516 120.570 0.153 0.000 3.251 33 I HA 0.189 4.359 4.170 -0.000 0.000 0.277 33 I C 1.216 177.524 176.117 0.319 0.000 1.268 33 I CA 0.804 62.276 61.300 0.286 0.000 1.449 33 I CB -0.159 37.875 38.000 0.056 0.000 1.083 33 I HN 0.127 nan 8.210 nan 0.000 0.464 34 M N -0.526 119.148 119.600 0.124 0.000 2.333 34 M HA 0.260 4.740 4.480 -0.000 0.000 0.257 34 M C 0.369 176.779 176.300 0.185 0.000 1.078 34 M CA -0.450 54.904 55.300 0.090 0.000 1.005 34 M CB -0.398 32.031 32.600 -0.286 0.000 1.444 34 M HN -0.027 nan 8.290 nan 0.000 0.496 35 I N 4.669 125.373 120.570 0.224 0.000 2.826 35 I HA -0.011 4.159 4.170 -0.000 0.000 0.295 35 I C -1.789 174.397 176.117 0.116 0.000 1.213 35 I CA -1.213 60.153 61.300 0.110 0.000 1.436 35 I CB 0.454 38.526 38.000 0.120 0.000 1.348 35 I HN 0.021 nan 8.210 nan 0.000 0.570 36 P HA 0.150 nan 4.420 nan 0.000 0.276 36 P C -1.155 176.166 177.300 0.035 0.000 1.243 36 P CA -0.264 62.863 63.100 0.045 0.000 0.768 36 P CB 0.462 32.156 31.700 -0.009 0.000 0.856 37 T N 0.554 115.172 114.554 0.106 0.000 2.876 37 T HA 0.495 4.845 4.350 -0.000 0.000 0.289 37 T C -2.882 171.855 174.700 0.061 0.000 1.014 37 T CA -2.939 59.201 62.100 0.068 0.000 0.986 37 T CB 1.174 70.099 68.868 0.095 0.000 1.021 37 T HN 0.141 nan 8.240 nan 0.000 0.458 38 P HA -0.040 nan 4.420 nan 0.000 0.261 38 P C 0.541 177.773 177.300 -0.114 0.000 1.158 38 P CA 0.183 63.199 63.100 -0.140 0.000 0.758 38 P CB 0.652 32.214 31.700 -0.231 0.000 0.763 39 R N 1.749 122.078 120.500 -0.285 0.000 2.115 39 R HA -0.083 4.257 4.340 -0.000 0.000 0.230 39 R C 1.075 177.122 176.300 -0.421 0.000 1.111 39 R CA 0.976 56.731 56.100 -0.575 0.000 0.976 39 R CB -0.344 29.184 30.300 -1.287 0.000 0.870 39 R HN 0.640 nan 8.270 nan 0.000 0.445 40 N N 1.347 119.888 118.700 -0.265 0.000 2.422 40 N HA 0.187 4.927 4.740 -0.000 0.000 0.266 40 N C -0.902 174.399 175.510 -0.348 0.000 1.007 40 N CA 0.005 52.961 53.050 -0.156 0.000 0.941 40 N CB 1.461 39.903 38.487 -0.075 0.000 1.115 40 N HN 0.015 nan 8.380 nan 0.000 0.492 41 L N 2.029 123.033 121.223 -0.365 0.000 2.753 41 L HA 0.171 4.511 4.340 -0.000 0.000 0.259 41 L C -0.651 175.991 176.870 -0.379 0.000 0.958 41 L CA -0.873 53.544 54.840 -0.705 0.000 0.955 41 L CB 1.312 42.847 42.059 -0.873 0.000 1.317 41 L HN 0.636 nan 8.230 nan 0.000 0.436 42 N N 0.895 119.440 118.700 -0.259 0.000 2.347 42 N HA 0.090 4.830 4.740 -0.000 0.000 0.253 42 N C 0.734 176.330 175.510 0.143 0.000 1.274 42 N CA -0.422 52.574 53.050 -0.090 0.000 0.941 42 N CB 0.496 39.021 38.487 0.063 0.000 1.200 42 N HN 0.595 nan 8.380 nan 0.000 0.514 43 W N -0.898 120.522 121.300 0.199 0.000 2.401 43 W HA -0.063 4.597 4.660 -0.000 0.000 0.264 43 W C 1.619 178.254 176.519 0.193 0.000 1.209 43 W CA -0.163 57.278 57.345 0.159 0.000 1.170 43 W CB -0.108 29.438 29.460 0.144 0.000 1.134 43 W HN 0.296 nan 8.180 nan 0.000 0.587 44 M N -1.510 118.432 119.600 0.570 0.000 2.659 44 M HA -0.079 4.401 4.480 -0.000 0.000 0.243 44 M C 1.110 177.628 176.300 0.363 0.000 1.111 44 M CA 0.590 56.221 55.300 0.552 0.000 1.070 44 M CB -0.996 31.891 32.600 0.478 0.000 1.525 44 M HN 0.297 nan 8.290 nan 0.000 0.517 45 W N 0.407 121.755 121.300 0.081 0.000 3.278 45 W HA 0.123 4.783 4.660 -0.000 0.000 0.308 45 W C 1.564 178.056 176.519 -0.045 0.000 1.253 45 W CA 0.185 57.524 57.345 -0.009 0.000 1.759 45 W CB 0.144 29.506 29.460 -0.164 0.000 1.093 45 W HN 0.243 nan 8.180 nan 0.000 0.648 46 I N -3.806 116.772 120.570 0.012 0.000 3.251 46 I HA -0.029 4.141 4.170 -0.000 0.000 0.277 46 I C 1.637 177.551 176.117 -0.338 0.000 1.268 46 I CA 0.780 61.979 61.300 -0.169 0.000 1.449 46 I CB -0.701 37.134 38.000 -0.275 0.000 1.083 46 I HN -0.214 nan 8.210 nan 0.000 0.464 47 W N 2.112 123.469 121.300 0.095 0.000 2.465 47 W HA 0.106 4.766 4.660 -0.000 0.000 0.268 47 W C 2.579 178.998 176.519 -0.167 0.000 1.242 47 W CA 0.825 58.181 57.345 0.019 0.000 1.248 47 W CB -0.574 28.948 29.460 0.103 0.000 1.118 47 W HN 0.205 nan 8.180 nan 0.000 0.587 48 G N 0.315 109.080 108.800 -0.058 0.000 2.422 48 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 48 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 48 G C 1.457 176.339 174.900 -0.031 0.000 1.146 48 G CA 1.497 46.472 45.100 -0.208 0.000 0.769 48 G HN 0.163 nan 8.290 nan 0.000 0.547 49 V N 0.475 120.407 119.914 0.031 0.000 2.323 49 V HA -0.129 3.991 4.120 -0.000 0.000 0.244 49 V C 3.023 179.167 176.094 0.084 0.000 1.041 49 V CA 1.313 63.666 62.300 0.089 0.000 1.025 49 V CB -0.261 31.627 31.823 0.108 0.000 0.656 49 V HN 0.235 nan 8.190 nan 0.000 0.451 50 V N -0.012 119.926 119.914 0.041 0.000 2.453 50 V HA -0.289 3.831 4.120 -0.000 0.000 0.252 50 V C 2.263 178.430 176.094 0.121 0.000 1.068 50 V CA 1.879 64.228 62.300 0.081 0.000 1.070 50 V CB -0.642 31.263 31.823 0.136 0.000 0.664 50 V HN 0.439 nan 8.190 nan 0.000 0.461 51 L N -0.273 121.007 121.223 0.095 0.000 2.044 51 L HA -0.091 4.249 4.340 -0.000 0.000 0.205 51 L C 2.772 179.629 176.870 -0.021 0.000 1.075 51 L CA 1.420 56.305 54.840 0.075 0.000 0.747 51 L CB -0.790 41.317 42.059 0.080 0.000 0.903 51 L HN 0.347 nan 8.230 nan 0.000 0.435 52 A N 0.157 123.004 122.820 0.045 0.000 1.873 52 A HA -0.314 4.006 4.320 -0.000 0.000 0.218 52 A C 2.194 179.760 177.584 -0.030 0.000 1.193 52 A CA 1.955 54.015 52.037 0.038 0.000 0.629 52 A CB -1.039 18.029 19.000 0.112 0.000 0.826 52 A HN 0.423 nan 8.150 nan 0.000 0.447 53 F N 0.526 120.421 119.950 -0.092 0.000 2.095 53 F HA -0.279 4.248 4.527 -0.000 0.000 0.298 53 F C 2.483 178.145 175.800 -0.229 0.000 1.104 53 F CA 1.841 59.776 58.000 -0.109 0.000 1.232 53 F CB -0.708 38.248 39.000 -0.073 0.000 0.987 53 F HN 0.310 nan 8.300 nan 0.000 0.475 54 C N 0.239 119.367 119.300 -0.288 0.000 2.413 54 C HA -0.176 4.284 4.460 -0.000 0.000 0.276 54 C C 2.682 177.129 174.990 -0.904 0.000 1.248 54 C CA 1.051 59.675 59.018 -0.657 0.000 1.742 54 C CB -1.534 25.691 27.740 -0.858 0.000 2.017 54 C HN 0.669 nan 8.230 nan 0.000 0.481 55 L N 0.743 121.447 121.223 -0.866 0.000 2.042 55 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 55 L C 2.450 179.086 176.870 -0.390 0.000 1.076 55 L CA 1.925 56.411 54.840 -0.591 0.000 0.749 55 L CB -0.789 41.114 42.059 -0.261 0.000 0.893 55 L HN 0.206 nan 8.230 nan 0.000 0.432 56 V N -0.610 119.079 119.914 -0.375 0.000 2.270 56 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 56 V C 2.493 178.364 176.094 -0.372 0.000 1.043 56 V CA 1.614 63.728 62.300 -0.311 0.000 1.014 56 V CB -0.696 30.957 31.823 -0.282 0.000 0.645 56 V HN 0.556 nan 8.190 nan 0.000 0.447 57 L N 0.220 121.081 121.223 -0.603 0.000 1.990 57 L HA -0.236 4.104 4.340 -0.000 0.000 0.213 57 L C 2.478 179.214 176.870 -0.223 0.000 1.072 57 L CA 2.081 56.639 54.840 -0.472 0.000 0.755 57 L CB -0.952 40.736 42.059 -0.619 0.000 0.889 57 L HN 0.270 nan 8.230 nan 0.000 0.432 58 Q N -0.072 119.570 119.800 -0.263 0.000 2.061 58 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 58 Q C 2.431 178.418 176.000 -0.023 0.000 0.984 58 Q CA 2.399 58.145 55.803 -0.097 0.000 0.846 58 Q CB -0.495 28.113 28.738 -0.216 0.000 0.902 58 Q HN 0.671 nan 8.270 nan 0.000 0.421 59 I N 0.488 120.967 120.570 -0.153 0.000 2.226 59 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 59 I C 2.433 178.480 176.117 -0.116 0.000 1.100 59 I CA 1.305 62.501 61.300 -0.173 0.000 1.374 59 I CB -0.496 37.395 38.000 -0.181 0.000 1.057 59 I HN 0.101 nan 8.210 nan 0.000 0.413 60 V N -0.679 119.185 119.914 -0.085 0.000 2.323 60 V HA -0.203 3.917 4.120 -0.000 0.000 0.244 60 V C 2.538 178.606 176.094 -0.044 0.000 1.041 60 V CA 2.145 64.418 62.300 -0.046 0.000 1.025 60 V CB -1.638 30.166 31.823 -0.032 0.000 0.656 60 V HN 0.567 nan 8.190 nan 0.000 0.451 61 T N -1.634 112.907 114.554 -0.022 0.000 2.929 61 T HA 0.015 4.365 4.350 -0.000 0.000 0.271 61 T C 1.930 176.530 174.700 -0.166 0.000 1.085 61 T CA 1.520 63.612 62.100 -0.015 0.000 1.125 61 T CB -1.008 67.918 68.868 0.096 0.000 0.874 61 T HN 0.754 nan 8.240 nan 0.000 0.494 62 G N 2.113 110.769 108.800 -0.240 0.000 2.424 62 G HA2 0.001 3.961 3.960 -0.000 0.000 0.214 62 G HA3 0.001 3.961 3.960 -0.000 0.000 0.214 62 G C 1.533 176.250 174.900 -0.305 0.000 1.202 62 G CA 0.690 45.516 45.100 -0.456 0.000 0.793 62 G HN 0.526 nan 8.290 nan 0.000 0.534 63 I N 0.807 121.244 120.570 -0.221 0.000 2.151 63 I HA -0.209 3.961 4.170 -0.000 0.000 0.243 63 I C 2.833 178.942 176.117 -0.014 0.000 1.080 63 I CA 0.934 62.175 61.300 -0.097 0.000 1.339 63 I CB -0.971 37.043 38.000 0.023 0.000 1.039 63 I HN 0.016 nan 8.210 nan 0.000 0.409 64 V N 1.359 121.267 119.914 -0.011 0.000 2.252 64 V HA -0.291 3.829 4.120 -0.000 0.000 0.249 64 V C 2.558 178.714 176.094 0.103 0.000 1.056 64 V CA 1.937 64.267 62.300 0.049 0.000 1.022 64 V CB -0.562 31.285 31.823 0.040 0.000 0.641 64 V HN 0.362 nan 8.190 nan 0.000 0.445 65 L N -0.095 121.139 121.223 0.018 0.000 2.141 65 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 65 L C 2.566 179.513 176.870 0.128 0.000 1.094 65 L CA 1.336 56.212 54.840 0.060 0.000 0.763 65 L CB -0.641 41.355 42.059 -0.104 0.000 0.908 65 L HN 0.364 nan 8.230 nan 0.000 0.437 66 A N -0.794 122.080 122.820 0.089 0.000 2.121 66 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 66 A C 2.205 179.903 177.584 0.190 0.000 1.154 66 A CA 1.206 53.390 52.037 0.245 0.000 0.679 66 A CB -0.449 18.706 19.000 0.258 0.000 0.795 66 A HN 0.387 nan 8.150 nan 0.000 0.458 67 M N -1.282 118.347 119.600 0.049 0.000 2.619 67 M HA -0.006 4.474 4.480 -0.000 0.000 0.251 67 M C 1.119 177.162 176.300 -0.428 0.000 1.106 67 M CA 0.830 56.025 55.300 -0.176 0.000 1.086 67 M CB 0.042 32.471 32.600 -0.286 0.000 1.465 67 M HN 0.499 nan 8.290 nan 0.000 0.506 68 H N -3.246 115.869 119.070 0.074 0.000 3.457 68 H HA 0.138 4.694 4.556 -0.000 0.000 0.255 68 H C -0.461 174.866 175.328 -0.002 0.000 1.082 68 H CA -0.137 55.933 56.048 0.036 0.000 1.189 68 H CB 0.391 30.208 29.762 0.092 0.000 1.511 68 H HN 0.199 nan 8.280 nan 0.000 0.527 69 Y N 3.662 123.972 120.300 0.017 0.000 2.319 69 Y HA 0.260 4.810 4.550 -0.000 0.000 0.328 69 Y C 0.280 176.059 175.900 -0.202 0.000 1.133 69 Y CA -0.555 57.500 58.100 -0.075 0.000 1.265 69 Y CB 0.920 39.351 38.460 -0.048 0.000 1.218 69 Y HN -0.061 nan 8.280 nan 0.000 0.508 70 T N 6.066 120.051 114.554 -0.948 0.000 2.772 70 T HA 0.409 4.759 4.350 -0.000 0.000 0.288 70 T C -2.897 171.149 174.700 -1.089 0.000 0.994 70 T CA -2.522 59.098 62.100 -0.801 0.000 0.951 70 T CB 1.498 70.093 68.868 -0.455 0.000 0.933 70 T HN 0.560 nan 8.240 nan 0.000 0.447 71 P HA 0.187 nan 4.420 nan 0.000 0.244 71 P C -0.831 176.294 177.300 -0.292 0.000 1.769 71 P CA 0.116 62.916 63.100 -0.499 0.000 1.102 71 P CB -0.454 31.013 31.700 -0.387 0.000 1.937 72 H N 2.227 121.021 119.070 -0.460 0.000 3.128 72 H HA 0.037 4.593 4.556 -0.000 0.000 0.336 72 H C 0.551 175.614 175.328 -0.441 0.000 1.026 72 H CA -0.466 55.349 56.048 -0.388 0.000 1.376 72 H CB 2.360 31.946 29.762 -0.292 0.000 1.882 72 H HN -0.110 nan 8.280 nan 0.000 0.479 73 V N 4.098 123.582 119.914 -0.716 0.000 2.311 73 V HA -0.327 3.793 4.120 -0.000 0.000 0.259 73 V C 1.449 177.422 176.094 -0.202 0.000 1.086 73 V CA 2.900 64.772 62.300 -0.713 0.000 1.078 73 V CB -0.030 31.409 31.823 -0.641 0.000 0.668 73 V HN 0.749 nan 8.190 nan 0.000 0.452 74 D N -1.099 119.369 120.400 0.113 0.000 2.277 74 D HA -0.001 4.639 4.640 -0.000 0.000 0.208 74 D C 1.702 178.030 176.300 0.047 0.000 0.962 74 D CA 1.233 55.301 54.000 0.114 0.000 0.865 74 D CB 0.205 41.088 40.800 0.139 0.000 0.939 74 D HN 0.497 nan 8.370 nan 0.000 0.510 75 L N -0.470 120.753 121.223 0.000 0.000 2.803 75 L HA 0.301 4.641 4.340 -0.000 0.000 0.246 75 L C 2.297 179.101 176.870 -0.110 0.000 1.100 75 L CA 0.110 54.903 54.840 -0.079 0.000 0.919 75 L CB -0.040 41.913 42.059 -0.176 0.000 1.285 75 L HN -0.195 nan 8.230 nan 0.000 0.522 76 A N 1.026 123.748 122.820 -0.163 0.000 1.896 76 A HA -0.315 4.005 4.320 -0.000 0.000 0.220 76 A C 2.156 179.806 177.584 0.110 0.000 1.206 76 A CA 2.331 54.257 52.037 -0.184 0.000 0.647 76 A CB -0.930 17.964 19.000 -0.178 0.000 0.828 76 A HN 0.403 nan 8.150 nan 0.000 0.455 77 F N 0.520 120.526 119.950 0.093 0.000 2.113 77 F HA 0.041 4.568 4.527 -0.000 0.000 0.297 77 F C 2.594 178.463 175.800 0.115 0.000 1.103 77 F CA 1.175 59.272 58.000 0.161 0.000 1.248 77 F CB -0.519 38.594 39.000 0.188 0.000 0.999 77 F HN 0.262 nan 8.300 nan 0.000 0.475 78 A N -0.283 122.653 122.820 0.193 0.000 1.883 78 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 78 A C 2.387 179.969 177.584 -0.003 0.000 1.186 78 A CA 2.322 54.407 52.037 0.079 0.000 0.624 78 A CB -1.597 17.458 19.000 0.092 0.000 0.822 78 A HN 0.528 nan 8.150 nan 0.000 0.444 79 S N -0.452 115.222 115.700 -0.042 0.000 2.387 79 S HA -0.148 4.322 4.470 -0.000 0.000 0.230 79 S C 1.772 176.393 174.600 0.033 0.000 1.035 79 S CA 1.891 60.044 58.200 -0.079 0.000 1.014 79 S CB -0.686 62.376 63.200 -0.231 0.000 0.836 79 S HN 0.317 nan 8.310 nan 0.000 0.466 80 V N 1.248 121.177 119.914 0.026 0.000 2.719 80 V HA 0.038 4.158 4.120 -0.000 0.000 0.252 80 V C 2.783 178.848 176.094 -0.049 0.000 1.065 80 V CA 1.795 64.113 62.300 0.030 0.000 1.086 80 V CB -0.774 31.054 31.823 0.009 0.000 0.700 80 V HN 0.437 nan 8.190 nan 0.000 0.467 81 E N -0.289 119.835 120.200 -0.126 0.000 2.208 81 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 81 E C 2.151 178.754 176.600 0.006 0.000 0.988 81 E CA 0.840 57.181 56.400 -0.098 0.000 0.828 81 E CB -0.357 29.259 29.700 -0.140 0.000 0.763 81 E HN 0.716 nan 8.360 nan 0.000 0.478 82 H N 0.528 119.564 119.070 -0.057 0.000 2.299 82 H HA -0.041 4.515 4.556 -0.000 0.000 0.302 82 H C 2.017 177.318 175.328 -0.044 0.000 1.078 82 H CA 1.676 57.703 56.048 -0.035 0.000 1.323 82 H CB -0.326 29.422 29.762 -0.023 0.000 1.381 82 H HN 0.187 nan 8.280 nan 0.000 0.498 83 I N 0.597 121.286 120.570 0.198 0.000 2.502 83 I HA -0.288 3.882 4.170 -0.000 0.000 0.258 83 I C 2.366 178.452 176.117 -0.051 0.000 1.172 83 I CA 0.795 62.128 61.300 0.055 0.000 1.430 83 I CB -0.173 37.867 38.000 0.067 0.000 1.086 83 I HN 0.301 nan 8.210 nan 0.000 0.440 84 M N -0.322 119.256 119.600 -0.036 0.000 2.325 84 M HA -0.039 4.441 4.480 -0.000 0.000 0.265 84 M C 2.271 178.576 176.300 0.007 0.000 1.094 84 M CA 1.588 56.877 55.300 -0.018 0.000 1.161 84 M CB -0.648 31.929 32.600 -0.039 0.000 1.358 84 M HN 0.164 nan 8.290 nan 0.000 0.446 85 R N -0.562 119.903 120.500 -0.059 0.000 2.156 85 R HA 0.078 4.417 4.340 -0.000 0.000 0.207 85 R C 1.616 177.845 176.300 -0.119 0.000 1.040 85 R CA 0.660 56.715 56.100 -0.074 0.000 1.013 85 R CB 0.148 30.403 30.300 -0.076 0.000 0.931 85 R HN 0.361 nan 8.270 nan 0.000 0.465 86 N N 0.117 118.665 118.700 -0.254 0.000 2.607 86 N HA 0.032 4.772 4.740 -0.000 0.000 0.207 86 N C 0.303 175.665 175.510 -0.246 0.000 1.040 86 N CA 0.180 53.043 53.050 -0.311 0.000 0.947 86 N CB -0.119 38.001 38.487 -0.611 0.000 1.293 86 N HN -0.160 nan 8.380 nan 0.000 0.446 87 V N 4.028 123.750 119.914 -0.321 0.000 2.625 87 V HA -0.099 4.021 4.120 -0.000 0.000 0.305 87 V C 0.355 176.358 176.094 -0.152 0.000 1.055 87 V CA -0.068 62.072 62.300 -0.266 0.000 1.209 87 V CB -0.308 31.237 31.823 -0.464 0.000 0.877 87 V HN 0.264 nan 8.190 nan 0.000 0.489 88 N N 4.837 123.475 118.700 -0.103 0.000 2.394 88 N HA 0.058 4.798 4.740 -0.000 0.000 0.282 88 N C 1.235 176.695 175.510 -0.083 0.000 1.351 88 N CA 1.203 54.226 53.050 -0.044 0.000 0.936 88 N CB 0.528 39.005 38.487 -0.017 0.000 1.274 88 N HN 1.125 nan 8.380 nan 0.000 0.489 89 G N 1.581 110.331 108.800 -0.083 0.000 2.148 89 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.254 89 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.254 89 G C 1.220 175.828 174.900 -0.487 0.000 0.981 89 G CA 0.494 45.387 45.100 -0.346 0.000 0.670 89 G HN 0.675 nan 8.290 nan 0.000 0.528 90 G N 1.084 109.720 108.800 -0.274 0.000 2.446 90 G HA2 0.043 4.003 3.960 -0.000 0.000 0.217 90 G HA3 0.043 4.003 3.960 -0.000 0.000 0.217 90 G C 1.594 176.336 174.900 -0.263 0.000 1.168 90 G CA 1.535 46.498 45.100 -0.229 0.000 0.771 90 G HN 1.243 nan 8.290 nan 0.000 0.551 91 F N 0.084 119.960 119.950 -0.123 0.000 2.147 91 F HA -0.055 4.472 4.527 -0.000 0.000 0.301 91 F C 2.252 177.967 175.800 -0.141 0.000 1.084 91 F CA 1.482 59.371 58.000 -0.185 0.000 1.268 91 F CB -0.427 38.509 39.000 -0.107 0.000 1.009 91 F HN 0.056 nan 8.300 nan 0.000 0.486 92 M N -0.011 118.939 119.600 -1.085 0.000 2.514 92 M HA 0.146 4.626 4.480 -0.000 0.000 0.258 92 M C 1.943 178.140 176.300 -0.172 0.000 1.119 92 M CA 0.675 55.693 55.300 -0.470 0.000 1.111 92 M CB -0.312 31.894 32.600 -0.657 0.000 1.390 92 M HN 0.383 nan 8.290 nan 0.000 0.475 93 L N -1.038 120.058 121.223 -0.211 0.000 2.162 93 L HA -0.091 4.249 4.340 -0.000 0.000 0.205 93 L C 2.669 179.550 176.870 0.019 0.000 1.086 93 L CA 0.509 55.313 54.840 -0.059 0.000 0.778 93 L CB -0.532 41.480 42.059 -0.079 0.000 0.928 93 L HN 0.183 nan 8.230 nan 0.000 0.446 94 R N 0.207 120.682 120.500 -0.043 0.000 2.082 94 R HA -0.220 4.120 4.340 -0.000 0.000 0.234 94 R C 2.322 178.705 176.300 0.139 0.000 1.136 94 R CA 2.041 58.143 56.100 0.004 0.000 0.935 94 R CB -0.783 29.438 30.300 -0.131 0.000 0.842 94 R HN 0.222 nan 8.270 nan 0.000 0.430 95 Y N 0.937 121.313 120.300 0.127 0.000 2.256 95 Y HA -0.151 4.399 4.550 -0.000 0.000 0.288 95 Y C 2.414 178.387 175.900 0.122 0.000 1.155 95 Y CA 0.843 59.024 58.100 0.134 0.000 1.203 95 Y CB -0.630 37.900 38.460 0.115 0.000 0.980 95 Y HN 0.048 nan 8.280 nan 0.000 0.530 96 L N -1.549 119.832 121.223 0.264 0.000 2.109 96 L HA -0.224 4.116 4.340 -0.000 0.000 0.207 96 L C 2.405 179.460 176.870 0.309 0.000 1.086 96 L CA 1.410 56.390 54.840 0.235 0.000 0.760 96 L CB -0.395 41.773 42.059 0.182 0.000 0.910 96 L HN 0.214 nan 8.230 nan 0.000 0.437 97 H N -0.478 118.692 119.070 0.168 0.000 2.357 97 H HA -0.084 4.472 4.556 -0.000 0.000 0.301 97 H C 2.062 177.503 175.328 0.188 0.000 1.082 97 H CA 1.385 57.514 56.048 0.136 0.000 1.342 97 H CB 0.140 29.956 29.762 0.089 0.000 1.389 97 H HN 0.308 nan 8.280 nan 0.000 0.511 98 A N 0.491 123.464 122.820 0.255 0.000 1.841 98 A HA -0.182 4.138 4.320 -0.000 0.000 0.214 98 A C 2.136 179.884 177.584 0.274 0.000 1.195 98 A CA 1.833 54.023 52.037 0.254 0.000 0.611 98 A CB -0.612 18.587 19.000 0.331 0.000 0.835 98 A HN 0.590 nan 8.150 nan 0.000 0.443 99 N N 0.043 118.942 118.700 0.332 0.000 2.512 99 N HA 0.040 4.780 4.740 -0.000 0.000 0.183 99 N C 1.564 177.328 175.510 0.423 0.000 1.073 99 N CA 0.842 54.139 53.050 0.411 0.000 0.911 99 N CB -0.199 38.537 38.487 0.415 0.000 0.964 99 N HN 0.492 nan 8.380 nan 0.000 0.447 100 G N 0.478 109.450 108.800 0.287 0.000 2.402 100 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 100 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 100 G C 1.606 176.522 174.900 0.026 0.000 1.162 100 G CA 0.777 45.911 45.100 0.056 0.000 0.777 100 G HN 0.375 nan 8.290 nan 0.000 0.539 101 A N 1.015 123.871 122.820 0.060 0.000 1.883 101 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 101 A C 2.727 180.405 177.584 0.157 0.000 1.186 101 A CA 2.401 54.471 52.037 0.054 0.000 0.624 101 A CB -0.798 18.240 19.000 0.063 0.000 0.822 101 A HN 0.327 nan 8.150 nan 0.000 0.444 102 S N -0.358 115.571 115.700 0.382 0.000 2.351 102 S HA -0.199 4.271 4.470 -0.000 0.000 0.220 102 S C 1.919 176.853 174.600 0.556 0.000 1.035 102 S CA 1.596 60.205 58.200 0.682 0.000 1.031 102 S CB -0.669 63.012 63.200 0.802 0.000 0.928 102 S HN 0.573 nan 8.310 nan 0.000 0.433 103 L N 1.211 122.631 121.223 0.328 0.000 2.043 103 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 103 L C 1.995 178.980 176.870 0.192 0.000 1.075 103 L CA 1.749 56.695 54.840 0.177 0.000 0.752 103 L CB -0.829 41.117 42.059 -0.188 0.000 0.891 103 L HN 0.217 nan 8.230 nan 0.000 0.432 104 F N -0.418 119.466 119.950 -0.109 0.000 2.120 104 F HA -0.253 4.274 4.527 -0.000 0.000 0.300 104 F C 2.110 177.685 175.800 -0.375 0.000 1.095 104 F CA 1.519 59.350 58.000 -0.282 0.000 1.249 104 F CB -0.848 37.880 39.000 -0.455 0.000 0.995 104 F HN 0.146 nan 8.300 nan 0.000 0.480 105 F N 0.014 119.938 119.950 -0.043 0.000 2.149 105 F HA -0.065 4.462 4.527 -0.000 0.000 0.294 105 F C 2.451 178.274 175.800 0.037 0.000 1.095 105 F CA 1.063 58.916 58.000 -0.245 0.000 1.276 105 F CB -0.967 37.749 39.000 -0.474 0.000 1.023 105 F HN -0.189 nan 8.300 nan 0.000 0.480 106 I N -0.004 120.929 120.570 0.606 0.000 2.300 106 I HA -0.386 3.784 4.170 -0.000 0.000 0.252 106 I C 2.512 178.726 176.117 0.161 0.000 1.119 106 I CA 1.341 62.946 61.300 0.507 0.000 1.384 106 I CB -0.840 37.376 38.000 0.360 0.000 1.062 106 I HN 0.135 nan 8.210 nan 0.000 0.426 107 A N 0.049 122.948 122.820 0.131 0.000 1.874 107 A HA -0.117 4.203 4.320 -0.000 0.000 0.214 107 A C 2.468 180.089 177.584 0.062 0.000 1.189 107 A CA 1.386 53.476 52.037 0.088 0.000 0.615 107 A CB -0.942 18.227 19.000 0.282 0.000 0.830 107 A HN 0.241 nan 8.150 nan 0.000 0.443 108 V N -1.092 118.819 119.914 -0.005 0.000 2.626 108 V HA -0.198 3.922 4.120 -0.000 0.000 0.252 108 V C 2.209 178.281 176.094 -0.037 0.000 1.067 108 V CA 1.762 64.033 62.300 -0.049 0.000 1.081 108 V CB -0.798 30.869 31.823 -0.259 0.000 0.686 108 V HN 0.625 nan 8.190 nan 0.000 0.468 109 Y N -0.284 120.104 120.300 0.148 0.000 2.206 109 Y HA -0.001 4.549 4.550 -0.000 0.000 0.292 109 Y C 2.250 178.220 175.900 0.116 0.000 1.123 109 Y CA 1.195 59.370 58.100 0.125 0.000 1.142 109 Y CB -0.694 37.949 38.460 0.306 0.000 1.006 109 Y HN 0.148 nan 8.280 nan 0.000 0.518 110 L N -0.895 120.389 121.223 0.101 0.000 2.079 110 L HA -0.283 4.057 4.340 -0.000 0.000 0.210 110 L C 2.461 179.317 176.870 -0.023 0.000 1.081 110 L CA 1.827 56.566 54.840 -0.169 0.000 0.752 110 L CB -0.568 40.888 42.059 -1.004 0.000 0.896 110 L HN 0.289 nan 8.230 nan 0.000 0.433 111 H N 0.304 119.339 119.070 -0.058 0.000 2.293 111 H HA -0.154 4.402 4.556 -0.000 0.000 0.300 111 H C 2.157 177.532 175.328 0.078 0.000 1.082 111 H CA 1.889 57.989 56.048 0.086 0.000 1.308 111 H CB -0.095 29.736 29.762 0.114 0.000 1.375 111 H HN 0.169 nan 8.280 nan 0.000 0.495 112 I N -0.670 119.906 120.570 0.010 0.000 2.127 112 I HA -0.294 3.876 4.170 -0.000 0.000 0.241 112 I C 1.888 178.007 176.117 0.003 0.000 1.075 112 I CA 1.351 62.599 61.300 -0.086 0.000 1.334 112 I CB -0.372 37.489 38.000 -0.231 0.000 1.040 112 I HN 0.182 nan 8.210 nan 0.000 0.405 113 F N 0.630 120.641 119.950 0.102 0.000 2.216 113 F HA -0.184 4.343 4.527 -0.000 0.000 0.300 113 F C 2.619 178.579 175.800 0.267 0.000 1.085 113 F CA 1.184 59.272 58.000 0.147 0.000 1.326 113 F CB -0.538 38.474 39.000 0.020 0.000 1.027 113 F HN -0.008 nan 8.300 nan 0.000 0.497 114 R N 1.155 121.856 120.500 0.334 0.000 2.091 114 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 114 R C 2.338 178.805 176.300 0.279 0.000 1.136 114 R CA 1.712 57.980 56.100 0.279 0.000 0.959 114 R CB -1.390 28.965 30.300 0.091 0.000 0.856 114 R HN 0.377 nan 8.270 nan 0.000 0.437 115 G N 1.196 110.107 108.800 0.185 0.000 2.421 115 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 115 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 115 G C 1.797 176.853 174.900 0.259 0.000 1.171 115 G CA 0.653 45.876 45.100 0.205 0.000 0.775 115 G HN 0.311 nan 8.290 nan 0.000 0.543 116 L N -1.050 120.419 121.223 0.410 0.000 2.079 116 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 116 L C 2.603 179.831 176.870 0.596 0.000 1.081 116 L CA 1.376 56.553 54.840 0.563 0.000 0.752 116 L CB -0.450 41.911 42.059 0.502 0.000 0.896 116 L HN 0.298 nan 8.230 nan 0.000 0.433 117 Y N -0.410 120.083 120.300 0.323 0.000 2.184 117 Y HA -0.222 4.328 4.550 -0.000 0.000 0.290 117 Y C 1.929 177.573 175.900 -0.426 0.000 1.129 117 Y CA 1.394 59.339 58.100 -0.260 0.000 1.144 117 Y CB -0.168 37.786 38.460 -0.842 0.000 0.995 117 Y HN 0.045 nan 8.280 nan 0.000 0.513 118 Y N 0.118 120.488 120.300 0.117 0.000 2.461 118 Y HA 0.272 4.822 4.550 -0.000 0.000 0.277 118 Y C 1.693 177.450 175.900 -0.238 0.000 1.182 118 Y CA 0.222 58.321 58.100 -0.001 0.000 1.276 118 Y CB -0.107 38.458 38.460 0.175 0.000 1.087 118 Y HN 0.236 nan 8.280 nan 0.000 0.519 119 G N -0.200 108.371 108.800 -0.382 0.000 2.249 119 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.273 119 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.273 119 G C 1.114 175.610 174.900 -0.674 0.000 1.036 119 G CA 0.672 45.280 45.100 -0.820 0.000 0.824 119 G HN 0.380 nan 8.290 nan 0.000 0.504 120 S N -0.883 114.553 115.700 -0.440 0.000 2.507 120 S HA -0.003 4.467 4.470 -0.000 0.000 0.235 120 S C 1.793 176.255 174.600 -0.231 0.000 0.988 120 S CA 1.547 59.624 58.200 -0.206 0.000 0.944 120 S CB -0.259 62.908 63.200 -0.054 0.000 0.762 120 S HN 0.946 nan 8.310 nan 0.000 0.526 121 Y N 0.488 120.602 120.300 -0.310 0.000 2.510 121 Y HA 0.452 5.002 4.550 -0.000 0.000 0.273 121 Y C 0.363 176.010 175.900 -0.422 0.000 1.119 121 Y CA -0.798 56.984 58.100 -0.529 0.000 1.286 121 Y CB -0.404 37.161 38.460 -1.492 0.000 1.061 121 Y HN -0.106 nan 8.280 nan 0.000 0.542 122 K N 2.236 122.326 120.400 -0.516 0.000 2.322 122 K HA 0.446 4.766 4.320 -0.000 0.000 0.283 122 K C 0.445 176.918 176.600 -0.213 0.000 1.042 122 K CA 0.040 56.141 56.287 -0.310 0.000 0.958 122 K CB 0.969 33.256 32.500 -0.355 0.000 0.984 122 K HN 0.370 nan 8.250 nan 0.000 0.473 123 A N 4.966 127.676 122.820 -0.184 0.000 2.630 123 A HA -0.081 4.239 4.320 -0.000 0.000 0.231 123 A C -1.078 176.454 177.584 -0.088 0.000 1.023 123 A CA -0.332 51.633 52.037 -0.120 0.000 0.773 123 A CB -0.238 18.697 19.000 -0.108 0.000 0.923 123 A HN 0.633 nan 8.150 nan 0.000 0.497 124 P HA 0.009 nan 4.420 nan 0.000 0.249 124 P C 0.416 177.710 177.300 -0.009 0.000 1.229 124 P CA 0.413 63.496 63.100 -0.028 0.000 0.788 124 P CB 0.093 31.786 31.700 -0.012 0.000 1.072 125 R N 0.654 121.147 120.500 -0.012 0.000 2.526 125 R HA 0.048 4.388 4.340 -0.000 0.000 0.223 125 R C 1.327 177.676 176.300 0.081 0.000 1.250 125 R CA 0.223 56.350 56.100 0.044 0.000 1.227 125 R CB -0.587 29.739 30.300 0.043 0.000 1.109 125 R HN 0.326 nan 8.270 nan 0.000 0.499 126 E N -0.061 120.156 120.200 0.029 0.000 2.204 126 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 126 E C 1.499 178.220 176.600 0.202 0.000 0.989 126 E CA 0.928 57.352 56.400 0.039 0.000 0.824 126 E CB 0.189 29.835 29.700 -0.091 0.000 0.756 126 E HN 0.134 nan 8.360 nan 0.000 0.477 127 V N 0.622 120.637 119.914 0.168 0.000 2.446 127 V HA -0.187 3.933 4.120 -0.000 0.000 0.244 127 V C 2.166 178.392 176.094 0.219 0.000 1.039 127 V CA 1.859 64.263 62.300 0.174 0.000 1.045 127 V CB -0.609 31.263 31.823 0.081 0.000 0.681 127 V HN 0.296 nan 8.190 nan 0.000 0.459 128 T N -0.410 114.287 114.554 0.239 0.000 2.653 128 T HA -0.310 4.040 4.350 -0.000 0.000 0.268 128 T C 1.548 176.488 174.700 0.401 0.000 1.035 128 T CA 2.166 64.473 62.100 0.344 0.000 1.154 128 T CB -0.404 68.653 68.868 0.316 0.000 0.862 128 T HN 0.690 nan 8.240 nan 0.000 0.441 129 W N 1.418 122.818 121.300 0.168 0.000 2.354 129 W HA -0.116 4.544 4.660 -0.000 0.000 0.315 129 W C 1.985 178.575 176.519 0.118 0.000 1.206 129 W CA 1.039 58.464 57.345 0.132 0.000 1.290 129 W CB -0.502 29.023 29.460 0.108 0.000 1.152 129 W HN 0.252 nan 8.180 nan 0.000 0.489 130 I N 0.272 120.978 120.570 0.227 0.000 2.179 130 I HA -0.332 3.838 4.170 -0.000 0.000 0.242 130 I C 2.343 178.464 176.117 0.007 0.000 1.088 130 I CA 1.271 62.641 61.300 0.116 0.000 1.357 130 I CB -1.014 37.123 38.000 0.229 0.000 1.051 130 I HN -0.245 nan 8.210 nan 0.000 0.409 131 V N 1.012 120.962 119.914 0.059 0.000 2.343 131 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 131 V C 2.577 178.607 176.094 -0.106 0.000 1.051 131 V CA 2.249 64.568 62.300 0.031 0.000 1.036 131 V CB -1.403 30.499 31.823 0.133 0.000 0.654 131 V HN 0.593 nan 8.190 nan 0.000 0.451 132 G N -1.041 107.631 108.800 -0.213 0.000 2.432 132 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.219 132 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.219 132 G C 1.537 176.230 174.900 -0.345 0.000 1.135 132 G CA 1.182 46.005 45.100 -0.461 0.000 0.767 132 G HN 0.398 nan 8.290 nan 0.000 0.550 133 M N 0.190 119.579 119.600 -0.351 0.000 2.175 133 M HA 0.207 4.687 4.480 -0.000 0.000 0.264 133 M C 2.334 178.586 176.300 -0.080 0.000 1.063 133 M CA 0.991 56.137 55.300 -0.258 0.000 1.119 133 M CB -0.442 31.993 32.600 -0.275 0.000 1.377 133 M HN 0.182 nan 8.290 nan 0.000 0.415 134 L N -1.114 120.064 121.223 -0.075 0.000 2.027 134 L HA -0.205 4.135 4.340 -0.000 0.000 0.206 134 L C 2.283 179.120 176.870 -0.054 0.000 1.074 134 L CA 1.154 55.969 54.840 -0.042 0.000 0.745 134 L CB -0.646 41.398 42.059 -0.024 0.000 0.898 134 L HN 0.258 nan 8.230 nan 0.000 0.433 135 I N -1.220 119.302 120.570 -0.080 0.000 2.194 135 I HA -0.381 3.789 4.170 -0.000 0.000 0.246 135 I C 2.549 178.610 176.117 -0.093 0.000 1.093 135 I CA 1.529 62.774 61.300 -0.091 0.000 1.355 135 I CB -0.368 37.552 38.000 -0.133 0.000 1.046 135 I HN 0.230 nan 8.210 nan 0.000 0.413 136 Y N 0.947 121.123 120.300 -0.206 0.000 2.181 136 Y HA -0.258 4.292 4.550 -0.000 0.000 0.288 136 Y C 2.237 178.067 175.900 -0.116 0.000 1.146 136 Y CA 1.432 59.419 58.100 -0.189 0.000 1.164 136 Y CB -0.327 38.026 38.460 -0.177 0.000 0.982 136 Y HN 0.027 nan 8.280 nan 0.000 0.515 137 L N 0.146 121.252 121.223 -0.194 0.000 2.046 137 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 137 L C 2.584 179.348 176.870 -0.177 0.000 1.077 137 L CA 2.011 56.714 54.840 -0.228 0.000 0.747 137 L CB -1.388 40.619 42.059 -0.087 0.000 0.896 137 L HN 0.285 nan 8.230 nan 0.000 0.432 138 A N -1.187 121.557 122.820 -0.127 0.000 1.902 138 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 138 A C 2.302 179.817 177.584 -0.115 0.000 1.181 138 A CA 2.012 53.995 52.037 -0.090 0.000 0.623 138 A CB -0.505 18.452 19.000 -0.070 0.000 0.818 138 A HN 0.437 nan 8.150 nan 0.000 0.443 139 M N -0.954 118.521 119.600 -0.209 0.000 2.082 139 M HA -0.245 4.235 4.480 -0.000 0.000 0.258 139 M C 2.440 178.695 176.300 -0.076 0.000 1.069 139 M CA 2.165 57.283 55.300 -0.303 0.000 1.102 139 M CB -0.535 31.694 32.600 -0.618 0.000 1.336 139 M HN 0.472 nan 8.290 nan 0.000 0.404 140 M N -0.506 119.078 119.600 -0.026 0.000 2.077 140 M HA -0.130 4.350 4.480 -0.000 0.000 0.261 140 M C 2.531 178.961 176.300 0.218 0.000 1.070 140 M CA 1.707 57.125 55.300 0.197 0.000 1.125 140 M CB -0.845 31.711 32.600 -0.072 0.000 1.339 140 M HN 0.363 nan 8.290 nan 0.000 0.409 141 A N 0.520 123.390 122.820 0.082 0.000 1.903 141 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 141 A C 2.255 179.942 177.584 0.172 0.000 1.191 141 A CA 2.607 54.730 52.037 0.143 0.000 0.638 141 A CB -1.349 17.686 19.000 0.059 0.000 0.823 141 A HN 0.515 nan 8.150 nan 0.000 0.451 142 T N 0.199 114.819 114.554 0.111 0.000 2.588 142 T HA -0.023 4.327 4.350 -0.000 0.000 0.261 142 T C 2.265 177.095 174.700 0.216 0.000 1.069 142 T CA 1.990 64.179 62.100 0.148 0.000 1.172 142 T CB -0.743 68.168 68.868 0.070 0.000 0.863 142 T HN 0.703 nan 8.240 nan 0.000 0.408 143 A N 1.133 124.079 122.820 0.210 0.000 2.054 143 A HA -0.163 4.157 4.320 -0.000 0.000 0.223 143 A C 1.984 179.746 177.584 0.296 0.000 1.169 143 A CA 1.921 54.088 52.037 0.217 0.000 0.655 143 A CB -0.978 18.145 19.000 0.205 0.000 0.812 143 A HN 0.539 nan 8.150 nan 0.000 0.462 144 F N -0.058 120.042 119.950 0.250 0.000 2.094 144 F HA -0.032 4.495 4.527 -0.000 0.000 0.291 144 F C 2.205 178.092 175.800 0.145 0.000 1.109 144 F CA 1.758 59.921 58.000 0.271 0.000 1.221 144 F CB -0.717 38.406 39.000 0.205 0.000 1.014 144 F HN 0.162 nan 8.300 nan 0.000 0.473 145 M N 0.584 119.803 119.600 -0.635 0.000 2.149 145 M HA -0.131 4.349 4.480 -0.000 0.000 0.261 145 M C 2.429 178.454 176.300 -0.458 0.000 1.064 145 M CA 1.747 56.608 55.300 -0.732 0.000 1.102 145 M CB -1.375 30.898 32.600 -0.545 0.000 1.369 145 M HN 0.405 nan 8.290 nan 0.000 0.408 146 G N -0.613 107.810 108.800 -0.629 0.000 2.480 146 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.216 146 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.216 146 G C 1.281 176.058 174.900 -0.206 0.000 1.200 146 G CA 0.753 45.341 45.100 -0.853 0.000 0.782 146 G HN 0.412 nan 8.290 nan 0.000 0.554 147 Y N 1.022 121.240 120.300 -0.137 0.000 2.365 147 Y HA -0.109 4.441 4.550 -0.000 0.000 0.287 147 Y C 2.834 178.759 175.900 0.042 0.000 1.162 147 Y CA 1.053 59.154 58.100 0.002 0.000 1.260 147 Y CB -0.051 38.460 38.460 0.085 0.000 0.976 147 Y HN 0.052 nan 8.280 nan 0.000 0.548 148 V N -0.272 119.677 119.914 0.057 0.000 2.453 148 V HA -0.294 3.826 4.120 -0.000 0.000 0.247 148 V C 2.346 178.593 176.094 0.255 0.000 1.048 148 V CA 1.572 63.959 62.300 0.144 0.000 1.049 148 V CB -0.623 31.341 31.823 0.235 0.000 0.672 148 V HN 0.389 nan 8.190 nan 0.000 0.457 149 L N 0.046 121.355 121.223 0.144 0.000 2.051 149 L HA -0.190 4.150 4.340 -0.000 0.000 0.214 149 L C -0.047 176.997 176.870 0.289 0.000 1.076 149 L CA 1.902 56.839 54.840 0.161 0.000 0.758 149 L CB -2.038 39.912 42.059 -0.182 0.000 0.890 149 L HN 0.358 nan 8.230 nan 0.000 0.433 150 P HA -0.215 nan 4.420 nan 0.000 0.225 150 P C 0.194 177.819 177.300 0.542 0.000 1.148 150 P CA 0.856 64.128 63.100 0.286 0.000 0.779 150 P CB -0.042 31.720 31.700 0.104 0.000 0.780 151 W N -0.645 120.744 121.300 0.147 0.000 5.563 151 W HA -0.159 4.501 4.660 -0.000 0.000 0.396 151 W C 0.121 176.685 176.519 0.074 0.000 1.519 151 W CA 0.068 57.486 57.345 0.121 0.000 0.953 151 W CB -1.352 28.190 29.460 0.137 0.000 2.691 151 W HN -0.051 nan 8.180 nan 0.000 1.444 152 G N 0.449 109.270 108.800 0.036 0.000 2.606 152 G HA2 0.237 4.197 3.960 -0.000 0.000 0.262 152 G HA3 0.237 4.197 3.960 -0.000 0.000 0.262 152 G C 0.522 175.309 174.900 -0.188 0.000 1.394 152 G CA 0.086 45.126 45.100 -0.100 0.000 1.044 152 G HN 0.169 nan 8.290 nan 0.000 0.553 153 Q N -0.916 118.825 119.800 -0.099 0.000 2.016 153 Q HA -0.067 4.273 4.340 -0.000 0.000 0.200 153 Q C 2.801 178.868 176.000 0.111 0.000 0.978 153 Q CA 1.150 56.972 55.803 0.032 0.000 0.833 153 Q CB -0.320 28.466 28.738 0.080 0.000 0.895 153 Q HN 0.439 nan 8.270 nan 0.000 0.427 154 M N 0.302 119.916 119.600 0.023 0.000 2.159 154 M HA -0.097 4.383 4.480 -0.000 0.000 0.263 154 M C 2.182 178.544 176.300 0.104 0.000 1.063 154 M CA 1.137 56.496 55.300 0.098 0.000 1.110 154 M CB -1.262 31.444 32.600 0.176 0.000 1.374 154 M HN 0.012 nan 8.290 nan 0.000 0.411 155 S N 0.828 116.466 115.700 -0.104 0.000 2.353 155 S HA -0.162 4.308 4.470 -0.000 0.000 0.222 155 S C 1.763 176.283 174.600 -0.133 0.000 1.035 155 S CA 1.413 59.548 58.200 -0.109 0.000 1.025 155 S CB -0.642 62.476 63.200 -0.136 0.000 0.902 155 S HN 0.432 nan 8.310 nan 0.000 0.440 156 F N 0.781 120.404 119.950 -0.545 0.000 2.102 156 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 156 F C 1.831 177.251 175.800 -0.633 0.000 1.105 156 F CA 1.222 58.701 58.000 -0.869 0.000 1.239 156 F CB -0.483 37.787 39.000 -1.217 0.000 0.991 156 F HN 0.226 nan 8.300 nan 0.000 0.474 157 W N 0.016 121.235 121.300 -0.135 0.000 2.453 157 W HA 0.099 4.759 4.660 -0.000 0.000 0.289 157 W C 2.655 179.127 176.519 -0.079 0.000 1.215 157 W CA 0.990 58.247 57.345 -0.148 0.000 1.297 157 W CB -1.122 28.325 29.460 -0.022 0.000 1.113 157 W HN 0.083 nan 8.180 nan 0.000 0.551 158 G N 0.365 109.289 108.800 0.207 0.000 2.432 158 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.219 158 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.219 158 G C 1.648 176.722 174.900 0.290 0.000 1.135 158 G CA 1.153 46.399 45.100 0.243 0.000 0.767 158 G HN 0.281 nan 8.290 nan 0.000 0.550 159 A N 0.288 123.248 122.820 0.233 0.000 1.930 159 A HA 0.028 4.348 4.320 -0.000 0.000 0.217 159 A C 2.520 180.157 177.584 0.088 0.000 1.175 159 A CA 2.313 54.533 52.037 0.307 0.000 0.627 159 A CB -0.774 18.240 19.000 0.023 0.000 0.815 159 A HN 0.278 nan 8.150 nan 0.000 0.443 160 T N -0.479 113.972 114.554 -0.171 0.000 2.737 160 T HA -0.103 4.247 4.350 -0.000 0.000 0.265 160 T C 1.898 176.627 174.700 0.049 0.000 1.038 160 T CA 1.618 63.632 62.100 -0.144 0.000 1.144 160 T CB -0.380 68.373 68.868 -0.193 0.000 0.866 160 T HN 0.134 nan 8.240 nan 0.000 0.434 161 V N 0.935 120.902 119.914 0.088 0.000 2.307 161 V HA -0.092 4.028 4.120 -0.000 0.000 0.245 161 V C 2.344 178.460 176.094 0.037 0.000 1.045 161 V CA 1.383 63.730 62.300 0.078 0.000 1.024 161 V CB -0.486 31.384 31.823 0.078 0.000 0.651 161 V HN 0.371 nan 8.190 nan 0.000 0.449 162 I N 0.826 121.388 120.570 -0.014 0.000 2.315 162 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 162 I C 2.591 178.793 176.117 0.142 0.000 1.117 162 I CA 2.002 63.221 61.300 -0.135 0.000 1.404 162 I CB -0.652 36.906 38.000 -0.738 0.000 1.071 162 I HN 0.471 nan 8.210 nan 0.000 0.419 163 T N -2.105 112.606 114.554 0.262 0.000 3.035 163 T HA -0.010 4.340 4.350 -0.000 0.000 0.268 163 T C 2.039 176.953 174.700 0.357 0.000 1.109 163 T CA 0.794 63.133 62.100 0.398 0.000 1.119 163 T CB -0.941 68.113 68.868 0.311 0.000 0.900 163 T HN 0.396 nan 8.240 nan 0.000 0.503 164 G N 1.916 110.839 108.800 0.206 0.000 2.408 164 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.217 164 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.217 164 G C 1.435 176.404 174.900 0.114 0.000 1.150 164 G CA 0.418 45.609 45.100 0.153 0.000 0.776 164 G HN 0.529 nan 8.290 nan 0.000 0.542 165 L N -0.616 120.626 121.223 0.032 0.000 2.189 165 L HA -0.087 4.253 4.340 -0.000 0.000 0.214 165 L C 2.404 179.139 176.870 -0.226 0.000 1.097 165 L CA 0.838 55.606 54.840 -0.120 0.000 0.764 165 L CB -0.442 41.460 42.059 -0.262 0.000 0.900 165 L HN 0.163 nan 8.230 nan 0.000 0.436 166 F N -0.547 119.482 119.950 0.131 0.000 2.710 166 F HA 0.071 4.598 4.527 -0.000 0.000 0.298 166 F C 2.362 178.217 175.800 0.091 0.000 1.137 166 F CA 0.691 58.758 58.000 0.111 0.000 1.444 166 F CB -0.653 38.420 39.000 0.121 0.000 1.111 166 F HN -0.035 nan 8.300 nan 0.000 0.580 167 G N -0.314 108.607 108.800 0.202 0.000 2.511 167 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.217 167 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.217 167 G C 1.838 176.776 174.900 0.064 0.000 1.133 167 G CA 0.682 45.873 45.100 0.151 0.000 0.792 167 G HN 0.383 nan 8.290 nan 0.000 0.539 168 A N 0.487 123.338 122.820 0.051 0.000 2.014 168 A HA 0.264 4.584 4.320 -0.000 0.000 0.218 168 A C 1.156 178.628 177.584 -0.186 0.000 1.163 168 A CA -0.002 52.055 52.037 0.033 0.000 0.652 168 A CB -0.228 18.878 19.000 0.176 0.000 0.808 168 A HN 0.316 nan 8.150 nan 0.000 0.449 169 I N 1.563 122.034 120.570 -0.165 0.000 2.742 169 I HA 0.037 4.207 4.170 -0.000 0.000 0.287 169 I C -2.239 173.646 176.117 -0.387 0.000 1.186 169 I CA -1.255 59.830 61.300 -0.359 0.000 1.417 169 I CB 0.362 38.300 38.000 -0.103 0.000 1.377 169 I HN 0.070 nan 8.210 nan 0.000 0.556 170 P HA 0.063 nan 4.420 nan 0.000 0.264 170 P C 0.874 178.064 177.300 -0.184 0.000 1.193 170 P CA 0.889 63.774 63.100 -0.358 0.000 0.763 170 P CB 0.841 32.308 31.700 -0.388 0.000 0.810 171 G N 4.046 112.781 108.800 -0.108 0.000 4.766 171 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.314 171 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.314 171 G C 1.135 176.016 174.900 -0.031 0.000 1.427 171 G CA 0.470 45.535 45.100 -0.059 0.000 1.024 171 G HN 0.587 nan 8.290 nan 0.000 0.754 172 I N 0.358 120.901 120.570 -0.045 0.000 2.286 172 I HA 0.137 4.307 4.170 -0.000 0.000 0.248 172 I C 2.685 178.806 176.117 0.006 0.000 1.115 172 I CA 2.256 63.536 61.300 -0.032 0.000 1.392 172 I CB -1.245 36.723 38.000 -0.054 0.000 1.065 172 I HN 0.738 nan 8.210 nan 0.000 0.418 173 G N 1.014 109.817 108.800 0.005 0.000 2.728 173 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.224 173 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.224 173 G C 1.676 176.668 174.900 0.153 0.000 1.123 173 G CA 1.768 46.907 45.100 0.064 0.000 0.755 173 G HN 0.750 nan 8.290 nan 0.000 0.622 174 H N -0.193 118.891 119.070 0.025 0.000 2.462 174 H HA 0.038 4.594 4.556 -0.000 0.000 0.292 174 H C 2.611 177.976 175.328 0.063 0.000 1.049 174 H CA 0.954 57.030 56.048 0.047 0.000 1.334 174 H CB 0.340 30.120 29.762 0.030 0.000 1.404 174 H HN 0.429 nan 8.280 nan 0.000 0.544 175 S N 0.748 116.446 115.700 -0.003 0.000 2.348 175 S HA -0.086 4.384 4.470 -0.000 0.000 0.219 175 S C 2.180 176.790 174.600 0.018 0.000 1.033 175 S CA 0.706 58.864 58.200 -0.069 0.000 0.974 175 S CB -0.016 63.141 63.200 -0.073 0.000 0.868 175 S HN 0.315 nan 8.310 nan 0.000 0.459 176 I N 2.212 122.806 120.570 0.040 0.000 2.185 176 I HA -0.248 3.922 4.170 -0.000 0.000 0.246 176 I C 2.553 178.817 176.117 0.245 0.000 1.088 176 I CA 1.562 62.922 61.300 0.100 0.000 1.347 176 I CB -1.423 36.658 38.000 0.134 0.000 1.041 176 I HN 0.430 nan 8.210 nan 0.000 0.415 177 Q N 0.288 120.224 119.800 0.227 0.000 2.049 177 Q HA -0.158 4.182 4.340 -0.000 0.000 0.198 177 Q C 2.248 178.360 176.000 0.185 0.000 0.971 177 Q CA 2.069 58.017 55.803 0.243 0.000 0.833 177 Q CB 0.058 28.959 28.738 0.271 0.000 0.896 177 Q HN 0.402 nan 8.270 nan 0.000 0.434 178 T N 0.203 114.822 114.554 0.107 0.000 2.699 178 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 178 T C 0.913 175.696 174.700 0.138 0.000 1.036 178 T CA 1.578 63.714 62.100 0.060 0.000 1.147 178 T CB -0.449 68.373 68.868 -0.076 0.000 0.862 178 T HN 0.545 nan 8.240 nan 0.000 0.446 179 W N 1.516 122.793 121.300 -0.038 0.000 2.335 179 W HA -0.071 4.589 4.660 -0.000 0.000 0.311 179 W C 1.795 178.310 176.519 -0.007 0.000 1.213 179 W CA 0.947 58.276 57.345 -0.028 0.000 1.274 179 W CB -0.597 28.841 29.460 -0.037 0.000 1.148 179 W HN 0.166 nan 8.180 nan 0.000 0.498 180 L N 0.248 121.556 121.223 0.142 0.000 2.079 180 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 180 L C 2.373 179.205 176.870 -0.063 0.000 1.081 180 L CA 1.349 56.142 54.840 -0.078 0.000 0.752 180 L CB -0.885 41.219 42.059 0.076 0.000 0.896 180 L HN 0.115 nan 8.230 nan 0.000 0.433 181 L N -0.845 120.376 121.223 -0.005 0.000 2.418 181 L HA 0.074 4.414 4.340 -0.000 0.000 0.218 181 L C 1.660 178.483 176.870 -0.077 0.000 1.125 181 L CA 0.579 55.394 54.840 -0.042 0.000 0.835 181 L CB -0.544 41.521 42.059 0.010 0.000 0.953 181 L HN 0.486 nan 8.230 nan 0.000 0.454 182 G N 0.103 108.857 108.800 -0.078 0.000 2.180 182 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.263 182 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.263 182 G C 0.450 175.330 174.900 -0.033 0.000 0.989 182 G CA 0.303 45.358 45.100 -0.075 0.000 0.692 182 G HN 0.669 nan 8.290 nan 0.000 0.526 183 G N -1.640 107.154 108.800 -0.010 0.000 2.428 183 G HA2 0.708 4.668 3.960 -0.000 0.000 0.305 183 G HA3 0.708 4.668 3.960 -0.000 0.000 0.305 183 G C -2.298 172.621 174.900 0.032 0.000 1.260 183 G CA 0.356 45.460 45.100 0.007 0.000 0.853 183 G HN 0.296 nan 8.290 nan 0.000 0.480 184 P HA 0.442 nan 4.420 nan 0.000 0.257 184 P C 0.098 177.442 177.300 0.074 0.000 1.281 184 P CA 0.993 64.136 63.100 0.072 0.000 0.826 184 P CB 0.853 32.594 31.700 0.069 0.000 1.237 185 A N -1.022 121.830 122.820 0.053 0.000 2.586 185 A HA 0.382 4.702 4.320 -0.000 0.000 0.291 185 A C -1.152 176.441 177.584 0.015 0.000 1.062 185 A CA -0.539 51.525 52.037 0.045 0.000 0.666 185 A CB 0.887 19.932 19.000 0.074 0.000 1.281 185 A HN -0.199 nan 8.150 nan 0.000 0.421 186 V N 2.116 121.999 119.914 -0.052 0.000 2.450 186 V HA 0.342 4.462 4.120 -0.000 0.000 0.281 186 V C 0.193 176.373 176.094 0.144 0.000 1.019 186 V CA 1.424 63.671 62.300 -0.089 0.000 1.062 186 V CB 0.301 31.868 31.823 -0.427 0.000 0.979 186 V HN 1.008 nan 8.190 nan 0.000 0.477 187 D N 3.283 123.766 120.400 0.138 0.000 2.867 187 D HA 0.231 4.871 4.640 -0.000 0.000 0.308 187 D C 1.030 177.337 176.300 0.013 0.000 1.202 187 D CA -0.562 53.546 54.000 0.180 0.000 1.035 187 D CB 1.007 41.847 40.800 0.068 0.000 1.427 187 D HN 0.231 nan 8.370 nan 0.000 0.570 188 N N -0.321 118.294 118.700 -0.142 0.000 2.036 188 N HA -0.194 4.546 4.740 -0.000 0.000 0.195 188 N C 1.625 176.974 175.510 -0.268 0.000 1.037 188 N CA 2.448 55.286 53.050 -0.353 0.000 0.855 188 N CB -0.317 37.913 38.487 -0.430 0.000 1.033 188 N HN 0.377 nan 8.380 nan 0.000 0.423 189 A N -1.032 121.681 122.820 -0.177 0.000 2.042 189 A HA -0.212 4.108 4.320 -0.000 0.000 0.222 189 A C 2.192 179.670 177.584 -0.176 0.000 1.167 189 A CA 2.327 54.276 52.037 -0.145 0.000 0.649 189 A CB -1.139 17.799 19.000 -0.103 0.000 0.809 189 A HN 0.519 nan 8.150 nan 0.000 0.457 190 T N -0.408 114.010 114.554 -0.228 0.000 2.781 190 T HA -0.032 4.318 4.350 -0.000 0.000 0.252 190 T C 1.834 176.230 174.700 -0.506 0.000 1.039 190 T CA 1.083 62.940 62.100 -0.404 0.000 1.147 190 T CB -0.489 68.125 68.868 -0.423 0.000 0.865 190 T HN 0.342 nan 8.240 nan 0.000 0.423 191 L N 2.153 123.148 121.223 -0.380 0.000 2.021 191 L HA -0.173 4.167 4.340 -0.000 0.000 0.215 191 L C 1.979 178.798 176.870 -0.084 0.000 1.074 191 L CA 1.982 56.646 54.840 -0.294 0.000 0.760 191 L CB -1.108 40.539 42.059 -0.686 0.000 0.889 191 L HN 0.294 nan 8.230 nan 0.000 0.433 192 N N -0.794 117.833 118.700 -0.121 0.000 2.069 192 N HA -0.264 4.476 4.740 -0.000 0.000 0.191 192 N C 1.998 177.587 175.510 0.132 0.000 1.031 192 N CA 1.483 54.541 53.050 0.013 0.000 0.852 192 N CB -0.163 38.291 38.487 -0.055 0.000 1.018 192 N HN 0.530 nan 8.380 nan 0.000 0.423 193 R N -0.767 119.774 120.500 0.069 0.000 2.148 193 R HA -0.061 4.279 4.340 -0.000 0.000 0.223 193 R C 1.261 177.730 176.300 0.282 0.000 1.088 193 R CA 0.897 57.070 56.100 0.121 0.000 0.985 193 R CB -0.465 29.854 30.300 0.032 0.000 0.880 193 R HN 0.186 nan 8.270 nan 0.000 0.451 194 F N 0.695 120.664 119.950 0.030 0.000 2.259 194 F HA 0.014 4.541 4.527 -0.000 0.000 0.298 194 F C 1.972 177.837 175.800 0.108 0.000 1.088 194 F CA -0.195 57.820 58.000 0.025 0.000 1.358 194 F CB -0.730 38.262 39.000 -0.013 0.000 1.040 194 F HN -0.052 nan 8.300 nan 0.000 0.505 195 F N 0.354 120.451 119.950 0.245 0.000 2.051 195 F HA -0.196 4.331 4.527 -0.000 0.000 0.296 195 F C 2.775 178.710 175.800 0.225 0.000 1.122 195 F CA 1.793 59.928 58.000 0.225 0.000 1.201 195 F CB -1.070 38.070 39.000 0.232 0.000 0.978 195 F HN -0.085 nan 8.300 nan 0.000 0.472 196 S N 0.183 115.923 115.700 0.068 0.000 2.387 196 S HA -0.194 4.276 4.470 -0.000 0.000 0.230 196 S C 2.097 176.672 174.600 -0.042 0.000 1.035 196 S CA 1.786 59.957 58.200 -0.049 0.000 1.014 196 S CB -0.563 62.667 63.200 0.050 0.000 0.836 196 S HN 0.459 nan 8.310 nan 0.000 0.466 197 L N -0.143 121.084 121.223 0.007 0.000 2.162 197 L HA 0.060 4.400 4.340 -0.000 0.000 0.205 197 L C 2.504 179.362 176.870 -0.020 0.000 1.086 197 L CA 1.233 56.066 54.840 -0.012 0.000 0.778 197 L CB -0.611 41.425 42.059 -0.039 0.000 0.928 197 L HN 0.381 nan 8.230 nan 0.000 0.446 198 H N -0.755 118.243 119.070 -0.120 0.000 2.422 198 H HA -0.253 4.303 4.556 -0.000 0.000 0.298 198 H C 2.002 177.232 175.328 -0.163 0.000 1.098 198 H CA 1.776 57.742 56.048 -0.138 0.000 1.315 198 H CB -0.055 29.637 29.762 -0.117 0.000 1.382 198 H HN 0.246 nan 8.280 nan 0.000 0.523 199 Y N 0.023 120.094 120.300 -0.382 0.000 2.130 199 Y HA -0.123 4.427 4.550 -0.000 0.000 0.287 199 Y C 2.446 178.179 175.900 -0.277 0.000 1.124 199 Y CA 1.485 59.345 58.100 -0.400 0.000 1.118 199 Y CB -0.943 37.282 38.460 -0.392 0.000 0.994 199 Y HN 0.332 nan 8.280 nan 0.000 0.497 200 L N 0.091 121.394 121.223 0.134 0.000 2.012 200 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 200 L C 2.212 179.109 176.870 0.044 0.000 1.073 200 L CA 1.734 56.663 54.840 0.148 0.000 0.748 200 L CB -1.142 40.961 42.059 0.073 0.000 0.891 200 L HN 0.329 nan 8.230 nan 0.000 0.431 201 L N -0.433 120.760 121.223 -0.051 0.000 2.013 201 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 201 L C 0.051 176.845 176.870 -0.127 0.000 1.073 201 L CA 1.864 56.663 54.840 -0.068 0.000 0.753 201 L CB -1.902 40.117 42.059 -0.066 0.000 0.890 201 L HN 0.282 nan 8.230 nan 0.000 0.432 202 P HA -0.183 nan 4.420 nan 0.000 0.217 202 P C 1.373 178.491 177.300 -0.302 0.000 1.148 202 P CA 1.454 64.353 63.100 -0.335 0.000 0.828 202 P CB -0.025 31.364 31.700 -0.518 0.000 0.783 203 F N -1.380 118.567 119.950 -0.005 0.000 2.234 203 F HA -0.109 4.418 4.527 -0.000 0.000 0.299 203 F C 2.254 178.059 175.800 0.009 0.000 1.087 203 F CA 0.803 58.807 58.000 0.008 0.000 1.340 203 F CB -1.575 37.435 39.000 0.017 0.000 1.031 203 F HN -0.240 nan 8.300 nan 0.000 0.500 204 V N 0.234 120.227 119.914 0.132 0.000 2.358 204 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 204 V C 2.384 178.512 176.094 0.056 0.000 1.047 204 V CA 1.457 63.808 62.300 0.086 0.000 1.035 204 V CB -0.593 31.261 31.823 0.052 0.000 0.658 204 V HN 0.254 nan 8.190 nan 0.000 0.452 205 I N 0.720 121.302 120.570 0.020 0.000 2.127 205 I HA -0.293 3.877 4.170 -0.000 0.000 0.241 205 I C 2.797 178.947 176.117 0.055 0.000 1.075 205 I CA 1.673 62.983 61.300 0.018 0.000 1.334 205 I CB -0.783 37.215 38.000 -0.002 0.000 1.040 205 I HN 0.309 nan 8.210 nan 0.000 0.405 206 A N 1.000 123.855 122.820 0.059 0.000 1.903 206 A HA -0.318 4.002 4.320 -0.000 0.000 0.219 206 A C 2.554 180.200 177.584 0.102 0.000 1.191 206 A CA 2.584 54.672 52.037 0.086 0.000 0.638 206 A CB -1.078 17.991 19.000 0.115 0.000 0.823 206 A HN 0.501 nan 8.150 nan 0.000 0.451 207 A N -0.537 122.346 122.820 0.106 0.000 1.883 207 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 207 A C 2.212 179.862 177.584 0.110 0.000 1.186 207 A CA 1.666 53.763 52.037 0.100 0.000 0.624 207 A CB -0.663 18.392 19.000 0.093 0.000 0.822 207 A HN 0.512 nan 8.150 nan 0.000 0.444 208 L N -0.413 120.870 121.223 0.100 0.000 2.046 208 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 208 L C 2.439 179.406 176.870 0.161 0.000 1.077 208 L CA 1.041 55.947 54.840 0.110 0.000 0.747 208 L CB -0.596 41.502 42.059 0.064 0.000 0.896 208 L HN 0.247 nan 8.230 nan 0.000 0.432 209 V N 0.144 120.152 119.914 0.157 0.000 2.568 209 V HA -0.294 3.826 4.120 -0.000 0.000 0.253 209 V C 2.707 178.940 176.094 0.233 0.000 1.072 209 V CA 1.622 64.060 62.300 0.230 0.000 1.084 209 V CB -1.083 30.852 31.823 0.186 0.000 0.676 209 V HN 0.477 nan 8.190 nan 0.000 0.469 210 A N 0.452 123.374 122.820 0.169 0.000 1.841 210 A HA -0.139 4.181 4.320 -0.000 0.000 0.214 210 A C 2.171 179.878 177.584 0.204 0.000 1.195 210 A CA 1.862 53.981 52.037 0.137 0.000 0.611 210 A CB -0.501 18.558 19.000 0.097 0.000 0.835 210 A HN 0.473 nan 8.150 nan 0.000 0.443 211 I N -1.094 119.628 120.570 0.253 0.000 2.286 211 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 211 I C 2.529 178.807 176.117 0.269 0.000 1.115 211 I CA 1.765 63.258 61.300 0.321 0.000 1.392 211 I CB -0.559 37.590 38.000 0.247 0.000 1.065 211 I HN 0.541 nan 8.210 nan 0.000 0.418 212 H N 1.565 120.735 119.070 0.166 0.000 2.319 212 H HA -0.147 4.409 4.556 -0.000 0.000 0.299 212 H C 2.107 177.567 175.328 0.219 0.000 1.092 212 H CA 1.938 58.112 56.048 0.210 0.000 1.302 212 H CB -0.210 29.693 29.762 0.235 0.000 1.373 212 H HN 0.223 nan 8.280 nan 0.000 0.497 213 I N -1.032 119.586 120.570 0.079 0.000 2.202 213 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 213 I C 2.273 178.097 176.117 -0.490 0.000 1.091 213 I CA 1.146 62.180 61.300 -0.443 0.000 1.368 213 I CB -0.477 37.448 38.000 -0.124 0.000 1.058 213 I HN 0.388 nan 8.210 nan 0.000 0.410 214 W N 2.270 123.399 121.300 -0.284 0.000 2.321 214 W HA -0.289 4.371 4.660 -0.000 0.000 0.306 214 W C 2.496 178.925 176.519 -0.150 0.000 1.217 214 W CA 1.783 59.013 57.345 -0.193 0.000 1.257 214 W CB -0.692 28.717 29.460 -0.086 0.000 1.145 214 W HN 0.148 nan 8.180 nan 0.000 0.509 215 A N 0.465 123.246 122.820 -0.066 0.000 1.873 215 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 215 A C 2.000 179.574 177.584 -0.017 0.000 1.186 215 A CA 1.945 53.901 52.037 -0.133 0.000 0.616 215 A CB -1.699 17.288 19.000 -0.021 0.000 0.823 215 A HN 0.551 nan 8.150 nan 0.000 0.442 216 F N -2.172 117.782 119.950 0.007 0.000 2.661 216 F HA 0.124 4.651 4.527 -0.000 0.000 0.298 216 F C 1.852 177.635 175.800 -0.027 0.000 1.137 216 F CA 0.942 58.922 58.000 -0.032 0.000 1.454 216 F CB -0.763 38.176 39.000 -0.101 0.000 1.103 216 F HN 0.295 nan 8.300 nan 0.000 0.577 217 H N 0.731 119.579 119.070 -0.370 0.000 2.403 217 H HA 0.025 4.581 4.556 -0.000 0.000 0.298 217 H C 1.543 176.869 175.328 -0.002 0.000 1.059 217 H CA 1.601 57.541 56.048 -0.180 0.000 1.363 217 H CB 0.049 29.659 29.762 -0.253 0.000 1.410 217 H HN 0.398 nan 8.280 nan 0.000 0.528 218 S N -0.508 115.273 115.700 0.134 0.000 2.677 218 S HA 0.079 4.549 4.470 -0.000 0.000 0.246 218 S C 0.991 175.620 174.600 0.048 0.000 1.005 218 S CA 0.133 58.399 58.200 0.110 0.000 1.062 218 S CB 0.286 63.560 63.200 0.124 0.000 0.778 218 S HN 0.181 nan 8.310 nan 0.000 0.461 219 T N 0.039 114.623 114.554 0.050 0.000 3.147 219 T HA 0.472 4.822 4.350 -0.000 0.000 0.275 219 T C 0.480 175.201 174.700 0.035 0.000 0.879 219 T CA 0.628 62.752 62.100 0.040 0.000 0.863 219 T CB 0.174 69.073 68.868 0.051 0.000 1.236 219 T HN 1.221 nan 8.240 nan 0.000 0.582 220 G N 2.028 110.848 108.800 0.034 0.000 2.728 220 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.686 220 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.686 220 G C -0.569 174.345 174.900 0.024 0.000 1.337 220 G CA -0.488 44.613 45.100 0.002 0.000 0.861 220 G HN 0.514 nan 8.290 nan 0.000 0.597 221 N N -0.067 118.626 118.700 -0.012 0.000 2.326 221 N HA 0.329 5.069 4.740 -0.000 0.000 0.239 221 N C 0.703 176.217 175.510 0.006 0.000 1.301 221 N CA 0.368 53.410 53.050 -0.012 0.000 0.909 221 N CB 0.393 38.828 38.487 -0.086 0.000 1.156 221 N HN 0.740 nan 8.380 nan 0.000 0.462 222 N N -0.644 118.113 118.700 0.096 0.000 2.384 222 N HA 0.264 5.004 4.740 -0.000 0.000 0.301 222 N C -1.524 174.024 175.510 0.063 0.000 1.133 222 N CA -0.639 52.475 53.050 0.108 0.000 0.853 222 N CB 0.974 39.560 38.487 0.164 0.000 1.241 222 N HN 0.692 nan 8.380 nan 0.000 0.502 223 N N 0.629 119.273 118.700 -0.094 0.000 2.457 223 N HA 0.456 5.196 4.740 -0.000 0.000 0.290 223 N C -2.537 172.819 175.510 -0.256 0.000 1.232 223 N CA -1.609 51.184 53.050 -0.429 0.000 0.852 223 N CB 1.786 40.069 38.487 -0.340 0.000 1.313 223 N HN 0.196 nan 8.380 nan 0.000 0.522 224 P HA -0.010 nan 4.420 nan 0.000 0.236 224 P C 0.249 177.652 177.300 0.172 0.000 1.172 224 P CA 0.966 64.026 63.100 -0.067 0.000 0.759 224 P CB 0.168 31.807 31.700 -0.103 0.000 0.843 225 T N -2.740 111.873 114.554 0.098 0.000 3.039 225 T HA 0.223 4.573 4.350 -0.000 0.000 0.250 225 T C 1.620 176.456 174.700 0.227 0.000 1.052 225 T CA 0.930 63.159 62.100 0.214 0.000 1.125 225 T CB -0.290 68.673 68.868 0.158 0.000 0.908 225 T HN 0.184 nan 8.240 nan 0.000 0.473 226 G N 1.154 110.028 108.800 0.124 0.000 2.199 226 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.254 226 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.254 226 G C 0.261 175.190 174.900 0.048 0.000 0.982 226 G CA 0.151 45.300 45.100 0.081 0.000 0.632 226 G HN 0.533 nan 8.290 nan 0.000 0.529 227 V N 2.204 122.151 119.914 0.055 0.000 2.546 227 V HA 0.462 4.582 4.120 -0.000 0.000 0.284 227 V C 0.709 176.801 176.094 -0.003 0.000 1.050 227 V CA -0.765 61.547 62.300 0.021 0.000 0.981 227 V CB 1.631 33.467 31.823 0.022 0.000 0.990 227 V HN 0.327 nan 8.190 nan 0.000 0.474 228 E N 2.424 122.617 120.200 -0.011 0.000 2.376 228 E HA 0.307 4.657 4.350 -0.000 0.000 0.254 228 E C -0.447 176.139 176.600 -0.024 0.000 1.213 228 E CA -0.458 55.931 56.400 -0.019 0.000 0.945 228 E CB 1.220 30.910 29.700 -0.016 0.000 1.057 228 E HN 0.363 nan 8.360 nan 0.000 0.479 229 V N 1.869 121.765 119.914 -0.029 0.000 2.614 229 V HA 0.081 4.201 4.120 -0.000 0.000 0.291 229 V C 0.881 176.963 176.094 -0.020 0.000 1.049 229 V CA -0.127 62.155 62.300 -0.031 0.000 1.038 229 V CB 0.406 32.206 31.823 -0.039 0.000 0.980 229 V HN 0.435 nan 8.190 nan 0.000 0.481 230 R N 4.606 125.096 120.500 -0.017 0.000 2.473 230 R HA 0.081 4.421 4.340 -0.000 0.000 0.315 230 R C 0.533 176.830 176.300 -0.005 0.000 0.972 230 R CA -0.083 56.011 56.100 -0.009 0.000 1.047 230 R CB 0.308 30.604 30.300 -0.007 0.000 0.932 230 R HN 0.516 nan 8.270 nan 0.000 0.411 231 R N 1.857 122.357 120.500 -0.001 0.000 2.480 231 R HA 0.020 4.360 4.340 -0.000 0.000 0.277 231 R C 0.847 177.154 176.300 0.011 0.000 1.008 231 R CA 0.238 56.342 56.100 0.006 0.000 1.090 231 R CB 0.297 30.601 30.300 0.007 0.000 1.234 231 R HN 0.651 nan 8.270 nan 0.000 0.549 232 T N -2.748 111.812 114.554 0.009 0.000 3.040 232 T HA 0.083 4.433 4.350 -0.000 0.000 0.250 232 T C 0.683 175.392 174.700 0.014 0.000 1.058 232 T CA -0.046 62.061 62.100 0.011 0.000 0.988 232 T CB 0.216 69.089 68.868 0.008 0.000 0.993 232 T HN 0.144 nan 8.240 nan 0.000 0.519 233 S N -0.324 115.386 115.700 0.016 0.000 2.560 233 S HA 0.387 4.857 4.470 -0.000 0.000 0.283 233 S C 0.092 174.705 174.600 0.023 0.000 1.141 233 S CA -1.075 57.136 58.200 0.019 0.000 0.902 233 S CB 1.681 64.889 63.200 0.015 0.000 1.104 233 S HN 0.070 nan 8.310 nan 0.000 0.454 234 K N 1.359 121.777 120.400 0.030 0.000 2.286 234 K HA -0.157 4.163 4.320 -0.000 0.000 0.203 234 K C 2.140 178.757 176.600 0.030 0.000 1.045 234 K CA 1.622 57.932 56.287 0.039 0.000 0.935 234 K CB -0.464 32.062 32.500 0.044 0.000 0.737 234 K HN 0.709 nan 8.250 nan 0.000 0.460 235 A N 2.328 125.162 122.820 0.022 0.000 1.840 235 A HA -0.194 4.126 4.320 -0.000 0.000 0.214 235 A C 2.011 179.601 177.584 0.010 0.000 1.198 235 A CA 1.546 53.593 52.037 0.016 0.000 0.608 235 A CB -0.390 18.619 19.000 0.014 0.000 0.839 235 A HN 0.488 nan 8.150 nan 0.000 0.443 236 E N -0.166 120.039 120.200 0.008 0.000 2.427 236 E HA 0.196 4.546 4.350 -0.000 0.000 0.196 236 E C 1.737 178.335 176.600 -0.003 0.000 1.028 236 E CA 0.686 57.087 56.400 0.002 0.000 0.864 236 E CB -0.195 29.506 29.700 0.002 0.000 0.813 236 E HN 0.462 nan 8.360 nan 0.000 0.514 237 A N 1.736 124.557 122.820 0.001 0.000 1.897 237 A HA -0.208 4.112 4.320 -0.000 0.000 0.215 237 A C 2.249 179.825 177.584 -0.015 0.000 1.181 237 A CA 1.430 53.465 52.037 -0.004 0.000 0.620 237 A CB -0.413 18.593 19.000 0.010 0.000 0.821 237 A HN 0.254 nan 8.150 nan 0.000 0.443 238 Q N -0.002 119.795 119.800 -0.006 0.000 2.364 238 Q HA -0.099 4.241 4.340 -0.000 0.000 0.207 238 Q C 1.653 177.627 176.000 -0.044 0.000 0.970 238 Q CA 1.492 57.283 55.803 -0.019 0.000 0.888 238 Q CB -0.120 28.618 28.738 0.000 0.000 0.951 238 Q HN 0.445 nan 8.270 nan 0.000 0.469 239 K N 0.186 120.568 120.400 -0.029 0.000 2.167 239 K HA -0.054 4.266 4.320 -0.000 0.000 0.203 239 K C 1.037 177.609 176.600 -0.045 0.000 1.052 239 K CA 1.175 57.448 56.287 -0.023 0.000 0.956 239 K CB 0.145 32.644 32.500 -0.002 0.000 0.735 239 K HN 0.369 nan 8.250 nan 0.000 0.451 240 D N 0.268 120.633 120.400 -0.059 0.000 2.301 240 D HA -0.045 4.595 4.640 -0.000 0.000 0.206 240 D C 1.331 177.544 176.300 -0.144 0.000 0.979 240 D CA 0.633 54.582 54.000 -0.085 0.000 0.874 240 D CB 0.404 41.170 40.800 -0.057 0.000 0.968 240 D HN 0.300 nan 8.370 nan 0.000 0.510 241 T N -2.052 112.428 114.554 -0.123 0.000 2.864 241 T HA 0.620 4.970 4.350 -0.000 0.000 0.276 241 T C -0.154 174.431 174.700 -0.192 0.000 1.006 241 T CA -0.747 61.278 62.100 -0.125 0.000 0.970 241 T CB 2.099 70.935 68.868 -0.054 0.000 1.420 241 T HN -0.165 nan 8.240 nan 0.000 0.601 242 V N 1.105 120.936 119.914 -0.138 0.000 3.036 242 V HA 0.474 4.594 4.120 -0.000 0.000 0.288 242 V C -2.920 173.185 176.094 0.019 0.000 1.407 242 V CA -1.839 60.322 62.300 -0.231 0.000 0.983 242 V CB 2.685 34.172 31.823 -0.560 0.000 1.128 242 V HN 0.883 nan 8.190 nan 0.000 0.439 243 P HA 0.189 nan 4.420 nan 0.000 0.271 243 P C 0.368 177.876 177.300 0.347 0.000 1.216 243 P CA 0.043 63.295 63.100 0.253 0.000 0.771 243 P CB 0.358 32.198 31.700 0.234 0.000 0.864 244 F N 3.925 124.023 119.950 0.247 0.000 2.063 244 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 244 F C 0.549 176.530 175.800 0.302 0.000 1.109 244 F CA 1.054 59.259 58.000 0.341 0.000 1.212 244 F CB -0.497 38.692 39.000 0.315 0.000 0.973 244 F HN 0.322 nan 8.300 nan 0.000 0.480 245 W N 3.678 124.893 121.300 -0.141 0.000 2.351 245 W HA 0.278 4.938 4.660 -0.000 0.000 0.311 245 W C -2.262 174.121 176.519 -0.228 0.000 1.168 245 W CA -1.893 55.270 57.345 -0.304 0.000 1.200 245 W CB 1.126 30.459 29.460 -0.212 0.000 1.221 245 W HN -0.002 nan 8.180 nan 0.000 0.519 246 P HA -0.003 nan 4.420 nan 0.000 0.275 246 P C 0.623 177.420 177.300 -0.838 0.000 1.310 246 P CA 0.350 62.557 63.100 -1.488 0.000 0.904 246 P CB 0.257 30.729 31.700 -2.047 0.000 1.381 247 Y N -0.260 119.746 120.300 -0.490 0.000 2.081 247 Y HA -0.164 4.386 4.550 -0.000 0.000 0.280 247 Y C 2.067 177.704 175.900 -0.438 0.000 1.163 247 Y CA 1.779 59.589 58.100 -0.483 0.000 1.135 247 Y CB -1.332 36.778 38.460 -0.584 0.000 0.970 247 Y HN -0.122 nan 8.280 nan 0.000 0.498 248 F N -1.625 118.355 119.950 0.050 0.000 2.530 248 F HA 0.077 4.604 4.527 -0.000 0.000 0.292 248 F C 2.115 177.945 175.800 0.050 0.000 1.109 248 F CA -0.004 58.081 58.000 0.141 0.000 1.450 248 F CB -0.660 38.608 39.000 0.448 0.000 1.114 248 F HN -0.043 nan 8.300 nan 0.000 0.560 249 I N -0.671 119.823 120.570 -0.126 0.000 2.286 249 I HA -0.275 3.895 4.170 -0.000 0.000 0.248 249 I C 2.104 178.290 176.117 0.114 0.000 1.115 249 I CA 1.130 62.410 61.300 -0.034 0.000 1.392 249 I CB -0.312 37.669 38.000 -0.031 0.000 1.065 249 I HN 0.037 nan 8.210 nan 0.000 0.418 250 I N 0.715 121.308 120.570 0.038 0.000 2.353 250 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 250 I C 2.483 178.733 176.117 0.222 0.000 1.119 250 I CA 1.434 62.782 61.300 0.080 0.000 1.417 250 I CB -0.544 37.425 38.000 -0.052 0.000 1.078 250 I HN 0.085 nan 8.210 nan 0.000 0.421 251 K N 0.406 120.970 120.400 0.273 0.000 2.026 251 K HA -0.208 4.112 4.320 -0.000 0.000 0.208 251 K C 1.643 178.532 176.600 0.481 0.000 1.048 251 K CA 1.862 58.427 56.287 0.463 0.000 0.929 251 K CB -0.107 32.685 32.500 0.486 0.000 0.713 251 K HN 0.202 nan 8.250 nan 0.000 0.439 252 D N 0.235 120.863 120.400 0.380 0.000 2.097 252 D HA -0.134 4.506 4.640 -0.000 0.000 0.195 252 D C 1.931 178.324 176.300 0.155 0.000 0.989 252 D CA 0.992 55.151 54.000 0.265 0.000 0.827 252 D CB -0.190 40.794 40.800 0.306 0.000 0.966 252 D HN -0.015 nan 8.370 nan 0.000 0.456 253 V N 0.925 120.947 119.914 0.180 0.000 2.407 253 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 253 V C 2.104 178.264 176.094 0.110 0.000 1.055 253 V CA 1.270 63.645 62.300 0.125 0.000 1.049 253 V CB -0.574 31.339 31.823 0.149 0.000 0.662 253 V HN 0.135 nan 8.190 nan 0.000 0.455 254 F N 1.934 121.919 119.950 0.058 0.000 2.095 254 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 254 F C 2.268 178.040 175.800 -0.047 0.000 1.104 254 F CA 1.448 59.465 58.000 0.028 0.000 1.232 254 F CB -0.940 38.108 39.000 0.080 0.000 0.987 254 F HN 0.075 nan 8.300 nan 0.000 0.475 255 A N 0.924 123.448 122.820 -0.493 0.000 1.865 255 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 255 A C 2.173 179.457 177.584 -0.500 0.000 1.191 255 A CA 1.861 53.477 52.037 -0.701 0.000 0.623 255 A CB -1.550 17.204 19.000 -0.409 0.000 0.826 255 A HN 0.528 nan 8.150 nan 0.000 0.444 256 L N -0.253 120.788 121.223 -0.303 0.000 2.189 256 L HA -0.164 4.176 4.340 -0.000 0.000 0.214 256 L C 2.503 179.210 176.870 -0.270 0.000 1.097 256 L CA 2.178 56.854 54.840 -0.274 0.000 0.764 256 L CB -0.796 41.146 42.059 -0.195 0.000 0.900 256 L HN 0.380 nan 8.230 nan 0.000 0.436 257 A N -1.609 121.075 122.820 -0.227 0.000 1.898 257 A HA -0.046 4.274 4.320 -0.000 0.000 0.214 257 A C 2.176 179.674 177.584 -0.144 0.000 1.183 257 A CA 1.495 53.450 52.037 -0.137 0.000 0.622 257 A CB -0.788 18.188 19.000 -0.042 0.000 0.824 257 A HN 0.276 nan 8.150 nan 0.000 0.444 258 V N -0.190 119.548 119.914 -0.294 0.000 2.427 258 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 258 V C 2.530 178.546 176.094 -0.130 0.000 1.051 258 V CA 1.776 63.933 62.300 -0.239 0.000 1.048 258 V CB -0.865 30.701 31.823 -0.427 0.000 0.666 258 V HN 0.346 nan 8.190 nan 0.000 0.456 259 V N 0.065 119.881 119.914 -0.164 0.000 2.261 259 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 259 V C 2.356 178.482 176.094 0.053 0.000 1.047 259 V CA 2.059 64.329 62.300 -0.050 0.000 1.015 259 V CB -0.648 31.119 31.823 -0.094 0.000 0.642 259 V HN 0.429 nan 8.190 nan 0.000 0.446 260 L N -0.498 120.735 121.223 0.016 0.000 2.187 260 L HA -0.192 4.148 4.340 -0.000 0.000 0.213 260 L C 2.455 179.546 176.870 0.368 0.000 1.100 260 L CA 1.053 56.019 54.840 0.211 0.000 0.765 260 L CB -0.627 41.508 42.059 0.126 0.000 0.904 260 L HN 0.379 nan 8.230 nan 0.000 0.437 261 L N -0.322 121.022 121.223 0.201 0.000 1.989 261 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 261 L C 2.378 179.377 176.870 0.215 0.000 1.071 261 L CA 1.885 56.840 54.840 0.193 0.000 0.749 261 L CB -0.642 41.471 42.059 0.091 0.000 0.890 261 L HN -0.070 nan 8.230 nan 0.000 0.431 262 V N -0.367 119.648 119.914 0.168 0.000 2.343 262 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 262 V C 2.379 178.592 176.094 0.199 0.000 1.051 262 V CA 1.927 64.324 62.300 0.161 0.000 1.036 262 V CB -1.045 30.857 31.823 0.132 0.000 0.654 262 V HN 0.565 nan 8.190 nan 0.000 0.451 263 F N 0.744 120.728 119.950 0.056 0.000 2.095 263 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 263 F C 1.999 177.741 175.800 -0.097 0.000 1.104 263 F CA 1.542 59.525 58.000 -0.029 0.000 1.232 263 F CB -0.590 38.349 39.000 -0.103 0.000 0.987 263 F HN 0.154 nan 8.300 nan 0.000 0.475 264 F N 0.338 120.200 119.950 -0.147 0.000 2.325 264 F HA 0.013 4.540 4.527 -0.000 0.000 0.299 264 F C 2.534 178.253 175.800 -0.136 0.000 1.090 264 F CA 1.040 58.896 58.000 -0.240 0.000 1.392 264 F CB -1.238 37.715 39.000 -0.077 0.000 1.053 264 F HN 0.081 nan 8.300 nan 0.000 0.521 265 A N 0.428 123.349 122.820 0.169 0.000 1.902 265 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 265 A C 2.257 179.956 177.584 0.190 0.000 1.181 265 A CA 1.545 53.746 52.037 0.274 0.000 0.623 265 A CB -0.773 18.374 19.000 0.245 0.000 0.818 265 A HN 0.236 nan 8.150 nan 0.000 0.443 266 I N -0.034 120.566 120.570 0.050 0.000 2.163 266 I HA -0.167 4.003 4.170 -0.000 0.000 0.240 266 I C 2.477 178.535 176.117 -0.098 0.000 1.081 266 I CA 1.271 62.578 61.300 0.011 0.000 1.353 266 I CB -1.401 36.623 38.000 0.041 0.000 1.054 266 I HN 0.142 nan 8.210 nan 0.000 0.407 267 V N 1.256 121.005 119.914 -0.274 0.000 2.594 267 V HA -0.165 3.955 4.120 -0.000 0.000 0.253 267 V C 2.497 178.466 176.094 -0.207 0.000 1.069 267 V CA 1.902 64.022 62.300 -0.299 0.000 1.082 267 V CB -1.305 30.200 31.823 -0.530 0.000 0.680 267 V HN 0.546 nan 8.190 nan 0.000 0.469 268 G N -1.272 107.377 108.800 -0.252 0.000 2.490 268 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.211 268 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.211 268 G C 1.264 175.836 174.900 -0.546 0.000 1.159 268 G CA 0.361 45.201 45.100 -0.433 0.000 0.819 268 G HN 0.472 nan 8.290 nan 0.000 0.539 269 F N 0.503 120.449 119.950 -0.006 0.000 2.437 269 F HA 0.363 4.890 4.527 -0.000 0.000 0.288 269 F C 1.822 177.602 175.800 -0.034 0.000 1.085 269 F CA 0.321 58.312 58.000 -0.015 0.000 1.430 269 F CB 0.113 39.106 39.000 -0.011 0.000 1.120 269 F HN 0.048 nan 8.300 nan 0.000 0.556 270 M N -0.139 119.517 119.600 0.093 0.000 3.287 270 M HA 0.399 4.879 4.480 -0.000 0.000 0.336 270 M C -2.345 173.958 176.300 0.004 0.000 1.573 270 M CA -1.321 54.013 55.300 0.056 0.000 0.609 270 M CB 0.769 33.404 32.600 0.060 0.000 1.421 270 M HN -0.266 nan 8.290 nan 0.000 0.476 271 P HA -0.146 nan 4.420 nan 0.000 0.219 271 P C 0.264 177.457 177.300 -0.179 0.000 1.146 271 P CA 1.468 64.356 63.100 -0.354 0.000 0.808 271 P CB 0.024 31.097 31.700 -1.045 0.000 0.779 272 N N -1.791 116.881 118.700 -0.047 0.000 2.280 272 N HA -0.028 4.712 4.740 -0.000 0.000 0.192 272 N C 1.451 177.058 175.510 0.162 0.000 1.109 272 N CA -0.144 52.983 53.050 0.128 0.000 0.855 272 N CB -0.467 38.145 38.487 0.209 0.000 0.974 272 N HN 0.159 nan 8.380 nan 0.000 0.482 273 Y N 1.857 122.185 120.300 0.046 0.000 2.114 273 Y HA -0.046 4.504 4.550 -0.000 0.000 0.284 273 Y C 1.814 177.747 175.900 0.056 0.000 1.143 273 Y CA 1.464 59.589 58.100 0.042 0.000 1.135 273 Y CB -0.373 38.100 38.460 0.022 0.000 0.980 273 Y HN -0.038 nan 8.280 nan 0.000 0.499 274 L N 0.263 121.479 121.223 -0.012 0.000 2.622 274 L HA 0.084 4.424 4.340 -0.000 0.000 0.233 274 L C 1.129 178.043 176.870 0.073 0.000 1.156 274 L CA 0.299 55.124 54.840 -0.025 0.000 0.866 274 L CB -1.069 41.112 42.059 0.204 0.000 0.980 274 L HN 0.287 nan 8.230 nan 0.000 0.448 275 G N -2.448 106.390 108.800 0.063 0.000 2.735 275 G HA2 0.282 4.242 3.960 -0.000 0.000 0.301 275 G HA3 0.282 4.242 3.960 -0.000 0.000 0.301 275 G C -1.402 173.558 174.900 0.101 0.000 1.279 275 G CA -0.392 44.782 45.100 0.123 0.000 1.019 275 G HN -0.015 nan 8.290 nan 0.000 0.497 276 H N 0.624 119.749 119.070 0.092 0.000 2.597 276 H HA 0.330 4.886 4.556 -0.000 0.000 0.303 276 H C -1.621 173.770 175.328 0.106 0.000 1.057 276 H CA -1.971 54.129 56.048 0.087 0.000 1.261 276 H CB 2.080 31.904 29.762 0.104 0.000 1.397 276 H HN 0.057 nan 8.280 nan 0.000 0.461 277 P HA -0.156 nan 4.420 nan 0.000 0.218 277 P C 0.866 178.409 177.300 0.405 0.000 1.146 277 P CA 1.107 64.427 63.100 0.367 0.000 0.820 277 P CB 0.440 32.281 31.700 0.234 0.000 0.778 278 D N -1.960 118.748 120.400 0.512 0.000 2.371 278 D HA -0.064 4.576 4.640 -0.000 0.000 0.221 278 D C 1.239 177.615 176.300 0.126 0.000 0.986 278 D CA 0.670 54.824 54.000 0.257 0.000 0.899 278 D CB -0.540 40.320 40.800 0.101 0.000 0.902 278 D HN 0.103 nan 8.370 nan 0.000 0.530 279 N N -0.552 118.207 118.700 0.097 0.000 2.322 279 N HA -0.063 4.677 4.740 -0.000 0.000 0.194 279 N C 0.008 175.553 175.510 0.058 0.000 1.126 279 N CA 0.136 53.177 53.050 -0.015 0.000 0.845 279 N CB -0.009 38.396 38.487 -0.136 0.000 0.976 279 N HN 0.091 nan 8.380 nan 0.000 0.475 280 Y N -0.345 120.105 120.300 0.250 0.000 2.555 280 Y HA 0.363 4.913 4.550 -0.000 0.000 0.259 280 Y C -0.049 176.008 175.900 0.261 0.000 1.179 280 Y CA -0.412 57.897 58.100 0.348 0.000 1.230 280 Y CB 0.421 39.039 38.460 0.262 0.000 1.146 280 Y HN -0.040 nan 8.280 nan 0.000 0.526 281 I N 0.844 121.532 120.570 0.197 0.000 2.378 281 I HA 0.189 4.359 4.170 -0.000 0.000 0.291 281 I C 0.192 176.124 176.117 -0.307 0.000 0.992 281 I CA -1.101 60.196 61.300 -0.006 0.000 1.154 281 I CB 1.369 39.387 38.000 0.030 0.000 1.315 281 I HN 0.120 nan 8.210 nan 0.000 0.448 282 E N 3.287 123.155 120.200 -0.554 0.000 2.415 282 E HA 0.230 4.580 4.350 -0.000 0.000 0.262 282 E C 0.276 176.624 176.600 -0.420 0.000 1.038 282 E CA -0.304 55.634 56.400 -0.769 0.000 0.921 282 E CB 0.705 30.052 29.700 -0.588 0.000 0.950 282 E HN 0.704 nan 8.360 nan 0.000 0.438 283 A N 3.390 125.940 122.820 -0.450 0.000 2.546 283 A HA -0.027 4.293 4.320 -0.000 0.000 0.243 283 A C 0.077 177.360 177.584 -0.502 0.000 1.063 283 A CA 0.059 51.763 52.037 -0.554 0.000 0.757 283 A CB 0.035 18.416 19.000 -1.032 0.000 0.991 283 A HN 0.507 nan 8.150 nan 0.000 0.503 284 N N 2.896 121.345 118.700 -0.417 0.000 2.483 284 N HA 0.391 5.131 4.740 -0.000 0.000 0.267 284 N C -2.497 172.814 175.510 -0.332 0.000 0.998 284 N CA -1.960 50.927 53.050 -0.271 0.000 0.918 284 N CB 1.992 40.457 38.487 -0.037 0.000 1.215 284 N HN 0.140 nan 8.380 nan 0.000 0.500 285 P HA 0.103 nan 4.420 nan 0.000 0.233 285 P C 0.709 178.104 177.300 0.158 0.000 1.167 285 P CA 0.800 63.640 63.100 -0.432 0.000 0.770 285 P CB 0.437 31.892 31.700 -0.408 0.000 0.837 286 L N -1.872 119.437 121.223 0.144 0.000 2.728 286 L HA 0.255 4.595 4.340 -0.000 0.000 0.238 286 L C 0.648 177.618 176.870 0.166 0.000 1.143 286 L CA 0.105 55.047 54.840 0.170 0.000 0.937 286 L CB 0.140 42.240 42.059 0.068 0.000 1.225 286 L HN -0.140 nan 8.230 nan 0.000 0.507 287 R N -0.330 120.321 120.500 0.252 0.000 2.548 287 R HA 0.430 4.770 4.340 -0.000 0.000 0.280 287 R C -1.020 175.218 176.300 -0.103 0.000 1.061 287 R CA -0.357 55.776 56.100 0.055 0.000 0.915 287 R CB 2.548 32.865 30.300 0.027 0.000 1.210 287 R HN -0.214 nan 8.270 nan 0.000 0.442 288 T N 4.117 118.360 114.554 -0.519 0.000 2.756 288 T HA 0.308 4.658 4.350 -0.000 0.000 0.290 288 T C -2.388 172.027 174.700 -0.474 0.000 0.985 288 T CA -1.497 60.004 62.100 -0.999 0.000 0.955 288 T CB 1.527 69.663 68.868 -1.219 0.000 0.930 288 T HN 0.209 nan 8.240 nan 0.000 0.451 289 P HA 0.099 nan 4.420 nan 0.000 0.263 289 P C 0.553 177.714 177.300 -0.231 0.000 1.175 289 P CA -0.063 62.926 63.100 -0.186 0.000 0.761 289 P CB 0.454 32.099 31.700 -0.091 0.000 0.794 290 A N 3.522 126.173 122.820 -0.282 0.000 2.019 290 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 290 A C 1.088 178.446 177.584 -0.377 0.000 1.164 290 A CA 1.404 53.214 52.037 -0.379 0.000 0.644 290 A CB -0.817 17.868 19.000 -0.525 0.000 0.805 290 A HN 0.616 nan 8.150 nan 0.000 0.449 291 H N -1.182 117.895 119.070 0.011 0.000 2.488 291 H HA 0.277 4.832 4.556 -0.000 0.000 0.294 291 H C 0.146 175.544 175.328 0.116 0.000 1.088 291 H CA -0.881 55.205 56.048 0.063 0.000 1.086 291 H CB -0.553 29.269 29.762 0.100 0.000 1.569 291 H HN 0.503 nan 8.280 nan 0.000 0.548 292 I N 2.097 122.696 120.570 0.049 0.000 2.742 292 I HA -0.044 4.125 4.170 -0.000 0.000 0.287 292 I C -0.694 175.427 176.117 0.008 0.000 1.186 292 I CA 0.408 61.684 61.300 -0.039 0.000 1.417 292 I CB 0.001 37.940 38.000 -0.101 0.000 1.377 292 I HN -0.189 nan 8.210 nan 0.000 0.556 293 V N 7.706 127.629 119.914 0.015 0.000 2.925 293 V HA 0.489 4.609 4.120 -0.000 0.000 0.311 293 V C -2.164 173.827 176.094 -0.172 0.000 1.104 293 V CA -1.357 60.900 62.300 -0.071 0.000 0.954 293 V CB 1.694 33.544 31.823 0.045 0.000 1.022 293 V HN 0.673 nan 8.190 nan 0.000 0.427 294 P HA 0.313 nan 4.420 nan 0.000 0.277 294 P C -0.778 176.306 177.300 -0.360 0.000 1.276 294 P CA -0.558 62.319 63.100 -0.371 0.000 0.788 294 P CB 0.463 31.859 31.700 -0.507 0.000 1.114 295 E N 0.335 120.195 120.200 -0.566 0.000 2.373 295 E HA -0.027 4.323 4.350 -0.000 0.000 0.267 295 E C 1.094 177.173 176.600 -0.867 0.000 1.032 295 E CA -0.139 55.709 56.400 -0.920 0.000 0.889 295 E CB -0.115 28.571 29.700 -1.691 0.000 0.984 295 E HN 0.526 nan 8.360 nan 0.000 0.425 296 W N 4.230 125.163 121.300 -0.613 0.000 2.304 296 W HA -0.363 4.297 4.660 -0.000 0.000 0.315 296 W C 1.056 177.378 176.519 -0.327 0.000 1.233 296 W CA 1.497 58.614 57.345 -0.379 0.000 1.261 296 W CB -1.091 28.242 29.460 -0.211 0.000 1.150 296 W HN 0.756 nan 8.180 nan 0.000 0.494 297 Y N -1.992 117.399 120.300 -1.516 0.000 2.651 297 Y HA 0.016 4.566 4.550 -0.000 0.000 0.296 297 Y C 1.595 177.231 175.900 -0.439 0.000 1.150 297 Y CA 0.282 57.618 58.100 -1.273 0.000 1.348 297 Y CB -1.839 35.443 38.460 -1.964 0.000 0.983 297 Y HN -0.179 nan 8.280 nan 0.000 0.555 298 F N -0.453 119.212 119.950 -0.476 0.000 2.717 298 F HA 0.225 4.752 4.527 -0.000 0.000 0.297 298 F C 1.884 177.605 175.800 -0.132 0.000 1.113 298 F CA -0.993 56.880 58.000 -0.212 0.000 1.319 298 F CB -0.649 38.161 39.000 -0.317 0.000 1.097 298 F HN 0.109 nan 8.300 nan 0.000 0.595 299 L N 1.499 122.710 121.223 -0.019 0.000 1.991 299 L HA -0.240 4.100 4.340 -0.000 0.000 0.221 299 L C -0.031 176.795 176.870 -0.074 0.000 1.079 299 L CA 2.088 56.912 54.840 -0.027 0.000 0.778 299 L CB -2.116 39.906 42.059 -0.062 0.000 0.893 299 L HN 0.035 nan 8.230 nan 0.000 0.437 300 P HA -0.232 nan 4.420 nan 0.000 0.214 300 P C 1.561 178.513 177.300 -0.580 0.000 1.163 300 P CA 1.910 64.651 63.100 -0.598 0.000 0.889 300 P CB -0.240 30.784 31.700 -1.126 0.000 0.790 301 F N -2.044 117.787 119.950 -0.197 0.000 2.451 301 F HA -0.083 4.444 4.527 -0.000 0.000 0.299 301 F C 2.649 178.359 175.800 -0.149 0.000 1.101 301 F CA 0.713 58.588 58.000 -0.209 0.000 1.436 301 F CB -1.365 37.499 39.000 -0.226 0.000 1.074 301 F HN -0.065 nan 8.300 nan 0.000 0.553 302 Y N 0.636 120.864 120.300 -0.121 0.000 2.269 302 Y HA 0.088 4.638 4.550 -0.000 0.000 0.294 302 Y C 2.265 178.075 175.900 -0.151 0.000 1.120 302 Y CA 0.706 58.726 58.100 -0.134 0.000 1.159 302 Y CB -0.692 37.697 38.460 -0.120 0.000 1.024 302 Y HN -0.056 nan 8.280 nan 0.000 0.532 303 A N 1.346 124.033 122.820 -0.222 0.000 1.865 303 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 303 A C 2.301 179.694 177.584 -0.318 0.000 1.191 303 A CA 2.292 54.123 52.037 -0.344 0.000 0.623 303 A CB -1.300 17.554 19.000 -0.243 0.000 0.826 303 A HN 0.574 nan 8.150 nan 0.000 0.444 304 I N -0.591 119.845 120.570 -0.223 0.000 2.194 304 I HA -0.282 3.888 4.170 -0.000 0.000 0.246 304 I C 2.550 178.660 176.117 -0.011 0.000 1.093 304 I CA 1.731 62.975 61.300 -0.092 0.000 1.355 304 I CB -0.315 37.675 38.000 -0.017 0.000 1.046 304 I HN 0.487 nan 8.210 nan 0.000 0.413 305 L N 1.509 122.689 121.223 -0.072 0.000 2.093 305 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 305 L C 2.526 179.348 176.870 -0.079 0.000 1.085 305 L CA 1.423 56.250 54.840 -0.021 0.000 0.755 305 L CB -0.213 41.795 42.059 -0.084 0.000 0.904 305 L HN 0.213 nan 8.230 nan 0.000 0.435 306 R N -0.801 119.529 120.500 -0.284 0.000 2.334 306 R HA 0.297 4.637 4.340 -0.000 0.000 0.220 306 R C 1.614 177.725 176.300 -0.316 0.000 0.917 306 R CA 0.620 56.545 56.100 -0.292 0.000 1.073 306 R CB -0.294 29.757 30.300 -0.416 0.000 1.056 306 R HN 0.249 nan 8.270 nan 0.000 0.506 307 A N 1.462 124.032 122.820 -0.418 0.000 1.872 307 A HA 0.074 4.394 4.320 -0.000 0.000 0.214 307 A C 0.298 177.502 177.584 -0.632 0.000 1.187 307 A CA 0.356 52.029 52.037 -0.607 0.000 0.614 307 A CB -0.318 18.163 19.000 -0.864 0.000 0.826 307 A HN 0.287 nan 8.150 nan 0.000 0.442 308 F N 2.316 122.207 119.950 -0.098 0.000 2.541 308 F HA 0.293 4.820 4.527 -0.000 0.000 0.347 308 F C 1.239 176.973 175.800 -0.109 0.000 1.242 308 F CA 0.168 58.111 58.000 -0.095 0.000 1.123 308 F CB -0.454 38.601 39.000 0.091 0.000 1.354 308 F HN 0.161 nan 8.300 nan 0.000 0.621 309 T N -1.440 113.082 114.554 -0.053 0.000 2.936 309 T HA 0.638 4.988 4.350 -0.000 0.000 0.282 309 T C 1.386 176.055 174.700 -0.051 0.000 1.003 309 T CA -0.401 61.666 62.100 -0.054 0.000 1.005 309 T CB 1.672 70.483 68.868 -0.095 0.000 1.097 309 T HN 0.414 nan 8.240 nan 0.000 0.532 310 A N 0.982 123.783 122.820 -0.031 0.000 2.009 310 A HA -0.129 4.190 4.320 -0.000 0.000 0.222 310 A C 1.528 179.096 177.584 -0.026 0.000 1.175 310 A CA 1.923 53.947 52.037 -0.022 0.000 0.651 310 A CB -1.033 17.963 19.000 -0.006 0.000 0.815 310 A HN 0.963 nan 8.150 nan 0.000 0.459 311 D N -0.650 119.732 120.400 -0.031 0.000 2.722 311 D HA 0.293 4.933 4.640 -0.000 0.000 0.239 311 D C -0.476 175.814 176.300 -0.017 0.000 1.249 311 D CA -0.172 53.827 54.000 -0.002 0.000 0.830 311 D CB 0.072 40.877 40.800 0.009 0.000 1.025 311 D HN 0.112 nan 8.370 nan 0.000 0.486 312 V N 1.258 121.138 119.914 -0.057 0.000 2.435 312 V HA 0.041 4.161 4.120 -0.000 0.000 0.290 312 V C 0.842 176.955 176.094 0.032 0.000 1.030 312 V CA -0.891 61.341 62.300 -0.113 0.000 0.881 312 V CB 1.660 33.399 31.823 -0.141 0.000 0.983 312 V HN 0.201 nan 8.190 nan 0.000 0.445 313 W N 3.633 124.886 121.300 -0.079 0.000 2.302 313 W HA -0.208 4.452 4.660 -0.000 0.000 0.320 313 W C 2.210 178.678 176.519 -0.085 0.000 1.241 313 W CA 2.131 59.441 57.345 -0.058 0.000 1.264 313 W CB -1.437 28.016 29.460 -0.012 0.000 1.154 313 W HN 0.631 nan 8.180 nan 0.000 0.483 314 V N -1.508 118.467 119.914 0.102 0.000 2.407 314 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 314 V C 2.011 177.970 176.094 -0.225 0.000 1.055 314 V CA 2.004 64.291 62.300 -0.023 0.000 1.049 314 V CB -1.785 30.017 31.823 -0.034 0.000 0.662 314 V HN 0.050 nan 8.190 nan 0.000 0.455 315 V N 1.441 121.100 119.914 -0.426 0.000 2.282 315 V HA -0.333 3.787 4.120 -0.000 0.000 0.249 315 V C 2.945 178.907 176.094 -0.219 0.000 1.057 315 V CA 2.705 64.643 62.300 -0.605 0.000 1.032 315 V CB -1.164 30.369 31.823 -0.483 0.000 0.645 315 V HN 0.678 nan 8.190 nan 0.000 0.447 316 Q N -0.245 119.504 119.800 -0.085 0.000 2.016 316 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 316 Q C 2.352 178.380 176.000 0.046 0.000 0.978 316 Q CA 1.885 57.685 55.803 -0.005 0.000 0.833 316 Q CB -0.431 28.312 28.738 0.008 0.000 0.895 316 Q HN 0.537 nan 8.270 nan 0.000 0.427 317 I N 1.747 122.346 120.570 0.048 0.000 2.113 317 I HA -0.377 3.793 4.170 -0.000 0.000 0.242 317 I C 2.639 178.829 176.117 0.122 0.000 1.057 317 I CA 1.426 62.787 61.300 0.102 0.000 1.314 317 I CB -0.620 37.429 38.000 0.082 0.000 1.022 317 I HN 0.227 nan 8.210 nan 0.000 0.408 318 A N 0.646 123.504 122.820 0.063 0.000 1.865 318 A HA -0.339 3.981 4.320 -0.000 0.000 0.217 318 A C 2.090 179.730 177.584 0.093 0.000 1.191 318 A CA 2.599 54.687 52.037 0.085 0.000 0.623 318 A CB -1.309 17.754 19.000 0.106 0.000 0.826 318 A HN 0.605 nan 8.150 nan 0.000 0.444 319 N N -1.928 116.818 118.700 0.078 0.000 2.104 319 N HA -0.200 4.540 4.740 -0.000 0.000 0.190 319 N C 1.593 177.164 175.510 0.102 0.000 1.024 319 N CA 1.645 54.752 53.050 0.095 0.000 0.853 319 N CB -0.257 38.275 38.487 0.076 0.000 1.008 319 N HN 0.418 nan 8.380 nan 0.000 0.424 320 F N 2.631 122.547 119.950 -0.057 0.000 2.010 320 F HA -0.155 4.372 4.527 -0.000 0.000 0.296 320 F C 2.137 177.814 175.800 -0.205 0.000 1.146 320 F CA 1.795 59.718 58.000 -0.129 0.000 1.181 320 F CB -1.002 37.926 39.000 -0.119 0.000 0.965 320 F HN 0.163 nan 8.300 nan 0.000 0.480 321 I N -0.359 120.002 120.570 -0.349 0.000 2.236 321 I HA -0.243 3.927 4.170 -0.000 0.000 0.249 321 I C 1.927 177.945 176.117 -0.165 0.000 1.102 321 I CA 1.951 63.012 61.300 -0.398 0.000 1.365 321 I CB -1.382 36.556 38.000 -0.104 0.000 1.051 321 I HN 0.349 nan 8.210 nan 0.000 0.420 322 S N 0.268 115.968 115.700 0.000 0.000 2.803 322 S HA 0.111 4.581 4.470 -0.000 0.000 0.228 322 S C 0.591 175.366 174.600 0.292 0.000 0.953 322 S CA -0.583 57.726 58.200 0.182 0.000 0.983 322 S CB -1.439 61.852 63.200 0.152 0.000 0.784 322 S HN 0.502 nan 8.310 nan 0.000 0.498 323 F N 1.139 121.037 119.950 -0.088 0.000 2.978 323 F HA -0.187 4.340 4.527 -0.000 0.000 0.248 323 F C 1.668 177.468 175.800 0.001 0.000 0.994 323 F CA 0.774 58.739 58.000 -0.060 0.000 0.849 323 F CB -2.037 36.925 39.000 -0.064 0.000 0.737 323 F HN 0.582 nan 8.300 nan 0.000 0.800 324 G N -0.863 108.018 108.800 0.135 0.000 2.417 324 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.233 324 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.233 324 G C 1.200 176.177 174.900 0.129 0.000 1.103 324 G CA 0.187 45.359 45.100 0.120 0.000 0.647 324 G HN 0.510 nan 8.290 nan 0.000 0.512 325 I N 1.320 121.974 120.570 0.141 0.000 2.091 325 I HA -0.162 4.008 4.170 -0.000 0.000 0.240 325 I C 1.604 177.844 176.117 0.205 0.000 1.046 325 I CA 1.608 62.985 61.300 0.129 0.000 1.306 325 I CB -0.245 37.825 38.000 0.116 0.000 1.018 325 I HN 0.244 nan 8.210 nan 0.000 0.404 326 I N 1.936 122.655 120.570 0.249 0.000 2.227 326 I HA 0.008 4.178 4.170 -0.000 0.000 0.297 326 I C 0.067 176.336 176.117 0.254 0.000 1.173 326 I CA -0.525 60.977 61.300 0.336 0.000 1.356 326 I CB -0.603 37.549 38.000 0.252 0.000 1.485 326 I HN 0.294 nan 8.210 nan 0.000 0.604 327 D N 4.132 124.681 120.400 0.249 0.000 2.507 327 D HA 0.348 4.988 4.640 -0.000 0.000 0.280 327 D C 1.381 177.783 176.300 0.170 0.000 1.219 327 D CA -0.366 53.732 54.000 0.164 0.000 1.085 327 D CB 0.695 41.571 40.800 0.126 0.000 1.134 327 D HN 0.227 nan 8.370 nan 0.000 0.583 328 A N -0.666 122.215 122.820 0.102 0.000 1.877 328 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 328 A C 2.018 179.700 177.584 0.163 0.000 1.186 328 A CA 2.238 54.331 52.037 0.092 0.000 0.620 328 A CB -1.048 17.976 19.000 0.040 0.000 0.822 328 A HN 0.647 nan 8.150 nan 0.000 0.443 329 K N -1.570 118.920 120.400 0.149 0.000 1.991 329 K HA -0.202 4.118 4.320 -0.000 0.000 0.212 329 K C 1.786 178.514 176.600 0.213 0.000 1.049 329 K CA 1.990 58.369 56.287 0.153 0.000 0.932 329 K CB -0.399 32.179 32.500 0.130 0.000 0.717 329 K HN 0.359 nan 8.250 nan 0.000 0.441 330 F N 0.768 120.764 119.950 0.077 0.000 2.502 330 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 330 F C 1.601 177.434 175.800 0.054 0.000 1.111 330 F CA 0.398 58.430 58.000 0.054 0.000 1.445 330 F CB -0.329 38.697 39.000 0.044 0.000 1.081 330 F HN 0.100 nan 8.300 nan 0.000 0.558 331 F N 0.446 120.297 119.950 -0.165 0.000 2.128 331 F HA 0.100 4.627 4.527 -0.000 0.000 0.295 331 F C 2.463 178.098 175.800 -0.276 0.000 1.100 331 F CA 1.749 59.559 58.000 -0.316 0.000 1.260 331 F CB -1.000 37.871 39.000 -0.215 0.000 1.009 331 F HN -0.067 nan 8.300 nan 0.000 0.476 332 G N -0.064 108.831 108.800 0.159 0.000 2.442 332 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 332 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 332 G C 1.740 176.623 174.900 -0.029 0.000 1.141 332 G CA 1.208 46.399 45.100 0.151 0.000 0.763 332 G HN 0.343 nan 8.290 nan 0.000 0.554 333 V N 0.802 120.683 119.914 -0.056 0.000 2.270 333 V HA -0.112 4.008 4.120 -0.000 0.000 0.245 333 V C 2.917 178.957 176.094 -0.091 0.000 1.043 333 V CA 1.568 63.843 62.300 -0.042 0.000 1.014 333 V CB -0.431 31.457 31.823 0.109 0.000 0.645 333 V HN 0.353 nan 8.190 nan 0.000 0.447 334 L N 0.007 121.023 121.223 -0.345 0.000 2.131 334 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 334 L C 2.666 179.341 176.870 -0.326 0.000 1.092 334 L CA 1.446 56.042 54.840 -0.406 0.000 0.759 334 L CB -0.758 40.838 42.059 -0.771 0.000 0.903 334 L HN 0.365 nan 8.230 nan 0.000 0.435 335 A N -0.304 122.260 122.820 -0.427 0.000 1.902 335 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 335 A C 2.329 179.990 177.584 0.129 0.000 1.181 335 A CA 1.932 53.816 52.037 -0.256 0.000 0.623 335 A CB -0.459 18.365 19.000 -0.293 0.000 0.818 335 A HN 0.411 nan 8.150 nan 0.000 0.443 336 M N -1.734 117.872 119.600 0.010 0.000 2.064 336 M HA -0.078 4.402 4.480 -0.000 0.000 0.260 336 M C 1.893 178.145 176.300 -0.079 0.000 1.073 336 M CA 1.976 57.251 55.300 -0.042 0.000 1.124 336 M CB -0.259 32.187 32.600 -0.258 0.000 1.326 336 M HN 0.319 nan 8.290 nan 0.000 0.410 337 F N 0.480 120.407 119.950 -0.040 0.000 2.202 337 F HA -0.068 4.459 4.527 -0.000 0.000 0.301 337 F C 2.497 178.296 175.800 -0.002 0.000 1.082 337 F CA 1.610 59.570 58.000 -0.067 0.000 1.313 337 F CB -1.410 37.527 39.000 -0.106 0.000 1.024 337 F HN 0.310 nan 8.300 nan 0.000 0.495 338 G N -0.736 108.186 108.800 0.203 0.000 2.408 338 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 338 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 338 G C 1.915 176.987 174.900 0.287 0.000 1.150 338 G CA 0.688 45.927 45.100 0.232 0.000 0.776 338 G HN 0.447 nan 8.290 nan 0.000 0.542 339 A N 0.540 123.518 122.820 0.264 0.000 1.978 339 A HA 0.025 4.345 4.320 -0.000 0.000 0.220 339 A C 2.343 180.068 177.584 0.234 0.000 1.170 339 A CA 1.307 53.371 52.037 0.044 0.000 0.636 339 A CB -0.267 18.667 19.000 -0.110 0.000 0.810 339 A HN 0.421 nan 8.150 nan 0.000 0.448 340 I N -1.287 119.401 120.570 0.197 0.000 2.339 340 I HA -0.099 4.071 4.170 -0.000 0.000 0.245 340 I C 2.309 178.480 176.117 0.089 0.000 1.096 340 I CA 0.822 62.215 61.300 0.155 0.000 1.408 340 I CB -0.271 37.746 38.000 0.027 0.000 1.092 340 I HN 0.391 nan 8.210 nan 0.000 0.423 341 L N 0.540 121.818 121.223 0.092 0.000 2.127 341 L HA -0.156 4.184 4.340 -0.000 0.000 0.211 341 L C 2.282 179.169 176.870 0.028 0.000 1.089 341 L CA 1.685 56.563 54.840 0.064 0.000 0.757 341 L CB -0.501 41.599 42.059 0.068 0.000 0.899 341 L HN -0.003 nan 8.230 nan 0.000 0.434 342 V N -0.352 119.557 119.914 -0.008 0.000 2.427 342 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 342 V C 2.545 178.416 176.094 -0.372 0.000 1.051 342 V CA 2.116 64.341 62.300 -0.124 0.000 1.048 342 V CB -0.153 31.584 31.823 -0.143 0.000 0.666 342 V HN 0.667 nan 8.190 nan 0.000 0.456 343 M N -0.532 118.794 119.600 -0.457 0.000 2.319 343 M HA -0.035 4.445 4.480 -0.000 0.000 0.265 343 M C 1.879 178.213 176.300 0.056 0.000 1.068 343 M CA 1.714 56.716 55.300 -0.497 0.000 1.118 343 M CB -0.150 32.304 32.600 -0.245 0.000 1.395 343 M HN 0.325 nan 8.290 nan 0.000 0.435 344 A N 0.003 122.890 122.820 0.112 0.000 2.119 344 A HA 0.044 4.364 4.320 -0.000 0.000 0.216 344 A C 1.677 179.525 177.584 0.441 0.000 1.152 344 A CA 0.806 53.012 52.037 0.283 0.000 0.708 344 A CB -0.534 18.549 19.000 0.139 0.000 0.805 344 A HN 0.577 nan 8.150 nan 0.000 0.460 345 L N -0.527 120.867 121.223 0.285 0.000 2.607 345 L HA 0.053 4.393 4.340 -0.000 0.000 0.228 345 L C 1.728 178.785 176.870 0.312 0.000 1.123 345 L CA -0.196 54.892 54.840 0.413 0.000 0.890 345 L CB 0.187 42.374 42.059 0.213 0.000 1.103 345 L HN 0.129 nan 8.230 nan 0.000 0.468 346 V N 0.662 120.597 119.914 0.035 0.000 2.439 346 V HA -0.212 3.908 4.120 -0.000 0.000 0.253 346 V C -0.248 175.566 176.094 -0.467 0.000 1.074 346 V CA 1.944 64.070 62.300 -0.290 0.000 1.076 346 V CB -1.412 29.998 31.823 -0.690 0.000 0.664 346 V HN 0.386 nan 8.190 nan 0.000 0.461 347 P HA -0.138 nan 4.420 nan 0.000 0.221 347 P C 1.002 177.889 177.300 -0.689 0.000 1.145 347 P CA 1.382 64.045 63.100 -0.727 0.000 0.795 347 P CB -0.048 30.882 31.700 -1.284 0.000 0.775 348 W N -1.894 119.373 121.300 -0.055 0.000 2.966 348 W HA 0.375 5.035 4.660 -0.000 0.000 0.406 348 W C 0.815 177.310 176.519 -0.039 0.000 1.027 348 W CA -0.028 57.300 57.345 -0.029 0.000 1.930 348 W CB 0.214 29.669 29.460 -0.009 0.000 1.144 348 W HN 0.008 nan 8.180 nan 0.000 0.626 349 L N -0.943 120.327 121.223 0.078 0.000 2.730 349 L HA 0.138 4.478 4.340 -0.000 0.000 0.236 349 L C 0.332 177.177 176.870 -0.043 0.000 1.061 349 L CA 0.304 55.160 54.840 0.028 0.000 0.898 349 L CB -0.035 42.039 42.059 0.024 0.000 1.270 349 L HN -0.336 nan 8.230 nan 0.000 0.500 350 D N 1.252 121.604 120.400 -0.081 0.000 2.374 350 D HA 0.036 4.676 4.640 -0.000 0.000 0.240 350 D C 1.161 177.434 176.300 -0.045 0.000 1.229 350 D CA 0.103 54.064 54.000 -0.065 0.000 0.895 350 D CB 1.132 41.921 40.800 -0.018 0.000 1.046 350 D HN 0.131 nan 8.370 nan 0.000 0.498 351 T N 0.037 114.571 114.554 -0.034 0.000 3.100 351 T HA 0.045 4.395 4.350 -0.000 0.000 0.253 351 T C 1.083 175.764 174.700 -0.033 0.000 1.118 351 T CA -0.417 61.668 62.100 -0.025 0.000 1.058 351 T CB -0.008 68.856 68.868 -0.008 0.000 0.953 351 T HN 0.214 nan 8.240 nan 0.000 0.515 352 S N 3.326 119.000 115.700 -0.044 0.000 2.533 352 S HA 0.221 4.691 4.470 -0.000 0.000 0.282 352 S C -1.096 173.458 174.600 -0.077 0.000 1.304 352 S CA -1.352 56.814 58.200 -0.056 0.000 1.063 352 S CB 0.963 64.118 63.200 -0.075 0.000 0.881 352 S HN 0.227 nan 8.310 nan 0.000 0.493 353 P HA 0.072 nan 4.420 nan 0.000 0.245 353 P C -0.150 177.103 177.300 -0.079 0.000 1.206 353 P CA 0.163 63.223 63.100 -0.067 0.000 0.781 353 P CB 0.016 31.689 31.700 -0.044 0.000 0.994 354 V N 2.014 121.875 119.914 -0.088 0.000 2.470 354 V HA 0.125 4.245 4.120 -0.000 0.000 0.276 354 V C 2.139 178.145 176.094 -0.147 0.000 1.040 354 V CA -0.030 62.219 62.300 -0.085 0.000 1.008 354 V CB 0.717 32.498 31.823 -0.069 0.000 0.990 354 V HN 0.031 nan 8.190 nan 0.000 0.477 355 R N 2.815 123.245 120.500 -0.116 0.000 2.104 355 R HA -0.029 4.311 4.340 -0.000 0.000 0.219 355 R C 1.372 177.534 176.300 -0.230 0.000 1.150 355 R CA 1.147 57.144 56.100 -0.171 0.000 0.900 355 R CB -0.223 30.020 30.300 -0.096 0.000 0.804 355 R HN 0.677 nan 8.270 nan 0.000 0.448 356 S N -0.448 115.183 115.700 -0.114 0.000 2.546 356 S HA 0.040 4.510 4.470 -0.000 0.000 0.290 356 S C 0.900 175.241 174.600 -0.432 0.000 1.290 356 S CA 0.003 58.093 58.200 -0.184 0.000 1.069 356 S CB 1.270 64.430 63.200 -0.067 0.000 0.846 356 S HN 0.514 nan 8.310 nan 0.000 0.495 357 G N 3.969 112.324 108.800 -0.741 0.000 2.956 357 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.207 357 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.207 357 G C 1.195 175.670 174.900 -0.708 0.000 1.162 357 G CA -0.194 44.327 45.100 -0.965 0.000 0.796 357 G HN 0.783 nan 8.290 nan 0.000 0.527 358 R N -0.460 119.683 120.500 -0.596 0.000 2.236 358 R HA 0.014 4.354 4.340 -0.000 0.000 0.208 358 R C 0.277 176.309 176.300 -0.446 0.000 1.036 358 R CA 0.614 56.442 56.100 -0.453 0.000 1.001 358 R CB 0.013 29.955 30.300 -0.596 0.000 0.896 358 R HN 0.405 nan 8.270 nan 0.000 0.464 359 Y N -0.161 120.102 120.300 -0.062 0.000 2.734 359 Y HA 0.408 4.958 4.550 -0.000 0.000 0.278 359 Y C -0.426 175.436 175.900 -0.064 0.000 1.108 359 Y CA -0.643 57.431 58.100 -0.043 0.000 1.211 359 Y CB 0.540 38.976 38.460 -0.040 0.000 1.182 359 Y HN -0.224 nan 8.280 nan 0.000 0.547 360 R N 1.506 122.013 120.500 0.012 0.000 2.629 360 R HA 0.219 4.559 4.340 -0.000 0.000 0.275 360 R C -2.308 174.048 176.300 0.093 0.000 1.719 360 R CA -1.281 54.834 56.100 0.025 0.000 1.472 360 R CB 1.169 31.414 30.300 -0.091 0.000 1.237 360 R HN -0.007 nan 8.270 nan 0.000 0.589 361 P HA -0.195 nan 4.420 nan 0.000 0.219 361 P C 1.117 178.455 177.300 0.063 0.000 1.146 361 P CA 1.274 64.421 63.100 0.078 0.000 0.808 361 P CB 0.422 32.160 31.700 0.063 0.000 0.779 362 M N -2.178 117.468 119.600 0.078 0.000 2.248 362 M HA -0.014 4.466 4.480 -0.000 0.000 0.265 362 M C 2.122 178.450 176.300 0.047 0.000 1.079 362 M CA 1.160 56.481 55.300 0.036 0.000 1.150 362 M CB -0.403 32.253 32.600 0.093 0.000 1.366 362 M HN -0.217 nan 8.290 nan 0.000 0.433 363 F N 1.481 121.446 119.950 0.024 0.000 2.095 363 F HA -0.247 4.280 4.527 -0.000 0.000 0.298 363 F C 1.958 177.794 175.800 0.060 0.000 1.104 363 F CA 1.813 59.863 58.000 0.083 0.000 1.232 363 F CB -0.296 38.700 39.000 -0.007 0.000 0.987 363 F HN -0.050 nan 8.300 nan 0.000 0.475 364 K N 0.002 120.490 120.400 0.147 0.000 2.242 364 K HA -0.218 4.102 4.320 -0.000 0.000 0.206 364 K C 1.890 178.602 176.600 0.186 0.000 1.045 364 K CA 1.422 57.789 56.287 0.133 0.000 0.930 364 K CB -0.311 32.328 32.500 0.232 0.000 0.726 364 K HN 0.341 nan 8.250 nan 0.000 0.462 365 I N -0.431 120.131 120.570 -0.012 0.000 2.494 365 I HA -0.152 4.018 4.170 -0.000 0.000 0.250 365 I C 1.893 177.967 176.117 -0.071 0.000 1.112 365 I CA 1.246 62.509 61.300 -0.061 0.000 1.438 365 I CB -0.904 36.939 38.000 -0.262 0.000 1.111 365 I HN 0.063 nan 8.210 nan 0.000 0.431 366 Y N -0.106 120.204 120.300 0.016 0.000 2.352 366 Y HA -0.205 4.345 4.550 -0.000 0.000 0.292 366 Y C 2.441 178.218 175.900 -0.205 0.000 1.136 366 Y CA 0.624 58.746 58.100 0.037 0.000 1.227 366 Y CB -1.106 37.434 38.460 0.134 0.000 0.991 366 Y HN 0.075 nan 8.280 nan 0.000 0.545 367 F N -0.917 118.766 119.950 -0.447 0.000 2.051 367 F HA -0.222 4.305 4.527 -0.000 0.000 0.296 367 F C 1.651 177.147 175.800 -0.507 0.000 1.122 367 F CA 1.511 59.072 58.000 -0.732 0.000 1.201 367 F CB -0.770 37.665 39.000 -0.942 0.000 0.978 367 F HN -0.006 nan 8.300 nan 0.000 0.472 368 W N 0.605 122.000 121.300 0.158 0.000 2.468 368 W HA -0.092 4.568 4.660 -0.000 0.000 0.262 368 W C 2.127 178.582 176.519 -0.107 0.000 1.241 368 W CA 0.687 58.062 57.345 0.051 0.000 1.232 368 W CB -0.447 29.081 29.460 0.114 0.000 1.124 368 W HN 0.103 nan 8.180 nan 0.000 0.597 369 L N -0.942 120.307 121.223 0.042 0.000 2.131 369 L HA -0.155 4.185 4.340 -0.000 0.000 0.206 369 L C 2.365 179.238 176.870 0.005 0.000 1.087 369 L CA 0.476 55.287 54.840 -0.049 0.000 0.767 369 L CB -0.839 41.098 42.059 -0.203 0.000 0.917 369 L HN -0.004 nan 8.230 nan 0.000 0.441 370 L N 0.266 121.458 121.223 -0.050 0.000 2.012 370 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 370 L C 2.639 179.450 176.870 -0.099 0.000 1.073 370 L CA 2.122 56.872 54.840 -0.150 0.000 0.748 370 L CB -0.722 40.800 42.059 -0.896 0.000 0.891 370 L HN 0.165 nan 8.230 nan 0.000 0.431 371 A N -0.498 122.077 122.820 -0.408 0.000 1.865 371 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 371 A C 2.444 179.959 177.584 -0.115 0.000 1.191 371 A CA 2.122 53.860 52.037 -0.498 0.000 0.623 371 A CB -1.332 17.307 19.000 -0.602 0.000 0.826 371 A HN 0.585 nan 8.150 nan 0.000 0.444 372 A N -0.507 122.306 122.820 -0.013 0.000 1.972 372 A HA -0.181 4.138 4.320 -0.000 0.000 0.219 372 A C 1.812 179.436 177.584 0.066 0.000 1.169 372 A CA 2.166 54.222 52.037 0.030 0.000 0.635 372 A CB -0.658 18.354 19.000 0.019 0.000 0.810 372 A HN 0.549 nan 8.150 nan 0.000 0.446 373 D N -1.444 119.033 120.400 0.127 0.000 2.117 373 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 373 D C 1.578 178.016 176.300 0.230 0.000 0.982 373 D CA 1.223 55.353 54.000 0.216 0.000 0.828 373 D CB -0.255 40.787 40.800 0.403 0.000 0.967 373 D HN 0.372 nan 8.370 nan 0.000 0.464 374 F N 0.288 120.319 119.950 0.135 0.000 2.134 374 F HA -0.149 4.378 4.527 -0.000 0.000 0.299 374 F C 2.119 177.912 175.800 -0.012 0.000 1.097 374 F CA 1.045 59.082 58.000 0.062 0.000 1.264 374 F CB -0.310 38.798 39.000 0.180 0.000 1.001 374 F HN -0.124 nan 8.300 nan 0.000 0.479 375 V N 0.614 120.589 119.914 0.102 0.000 2.358 375 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 375 V C 2.406 178.517 176.094 0.030 0.000 1.047 375 V CA 2.025 64.343 62.300 0.029 0.000 1.035 375 V CB -0.605 31.247 31.823 0.048 0.000 0.658 375 V HN 0.349 nan 8.190 nan 0.000 0.452 376 I N -0.672 119.932 120.570 0.057 0.000 2.202 376 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 376 I C 2.410 178.620 176.117 0.154 0.000 1.091 376 I CA 1.520 62.903 61.300 0.139 0.000 1.368 376 I CB -0.317 37.745 38.000 0.103 0.000 1.058 376 I HN 0.243 nan 8.210 nan 0.000 0.410 377 L N 0.214 121.437 121.223 -0.001 0.000 2.013 377 L HA -0.289 4.051 4.340 -0.000 0.000 0.212 377 L C 2.683 179.444 176.870 -0.181 0.000 1.073 377 L CA 1.919 56.682 54.840 -0.128 0.000 0.753 377 L CB -0.728 41.162 42.059 -0.282 0.000 0.890 377 L HN 0.299 nan 8.230 nan 0.000 0.432 378 T N -1.615 112.788 114.554 -0.252 0.000 2.684 378 T HA -0.287 4.063 4.350 -0.000 0.000 0.267 378 T C 1.251 175.925 174.700 -0.044 0.000 1.036 378 T CA 1.786 63.767 62.100 -0.198 0.000 1.148 378 T CB -0.478 68.266 68.868 -0.207 0.000 0.863 378 T HN 0.560 nan 8.240 nan 0.000 0.436 379 W N 1.812 123.036 121.300 -0.126 0.000 2.342 379 W HA -0.150 4.510 4.660 -0.000 0.000 0.297 379 W C 1.896 178.355 176.519 -0.101 0.000 1.213 379 W CA 0.617 57.907 57.345 -0.092 0.000 1.251 379 W CB -0.507 28.913 29.460 -0.067 0.000 1.136 379 W HN 0.005 nan 8.180 nan 0.000 0.526 380 V N 1.124 120.874 119.914 -0.274 0.000 2.453 380 V HA -0.136 3.984 4.120 -0.000 0.000 0.247 380 V C 2.497 178.341 176.094 -0.415 0.000 1.048 380 V CA 1.881 63.875 62.300 -0.510 0.000 1.049 380 V CB -1.744 29.976 31.823 -0.172 0.000 0.672 380 V HN 0.391 nan 8.190 nan 0.000 0.457 381 G N -0.003 108.667 108.800 -0.217 0.000 2.499 381 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.221 381 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.221 381 G C 1.429 176.326 174.900 -0.005 0.000 1.109 381 G CA 0.987 46.088 45.100 0.001 0.000 0.749 381 G HN 0.649 nan 8.290 nan 0.000 0.568 382 A N -1.034 121.637 122.820 -0.248 0.000 2.275 382 A HA 0.350 4.670 4.320 -0.000 0.000 0.212 382 A C 1.320 178.664 177.584 -0.399 0.000 1.201 382 A CA 0.185 52.057 52.037 -0.275 0.000 0.843 382 A CB 0.108 18.939 19.000 -0.281 0.000 0.873 382 A HN 0.323 nan 8.150 nan 0.000 0.492 383 Q N -0.060 119.387 119.800 -0.588 0.000 2.207 383 Q HA 0.438 4.778 4.340 -0.000 0.000 0.237 383 Q C -0.511 175.211 176.000 -0.463 0.000 0.998 383 Q CA -0.376 54.973 55.803 -0.756 0.000 0.951 383 Q CB 0.289 28.109 28.738 -1.530 0.000 1.213 383 Q HN 0.570 nan 8.270 nan 0.000 0.499 384 Q N -0.172 119.403 119.800 -0.375 0.000 2.316 384 Q HA 0.212 4.552 4.340 -0.000 0.000 0.215 384 Q C 0.835 176.799 176.000 -0.060 0.000 1.020 384 Q CA 0.053 55.781 55.803 -0.123 0.000 0.970 384 Q CB 0.258 28.992 28.738 -0.007 0.000 1.187 384 Q HN 0.663 nan 8.270 nan 0.000 0.546 385 T N -3.093 111.450 114.554 -0.019 0.000 3.148 385 T HA -0.012 4.338 4.350 -0.000 0.000 0.253 385 T C 0.790 175.519 174.700 0.049 0.000 1.134 385 T CA 0.225 62.313 62.100 -0.021 0.000 1.051 385 T CB -0.708 68.121 68.868 -0.064 0.000 0.959 385 T HN 0.737 nan 8.240 nan 0.000 0.525 386 T N 0.148 114.783 114.554 0.135 0.000 2.766 386 T HA 0.428 4.778 4.350 -0.000 0.000 0.295 386 T C -0.066 174.740 174.700 0.177 0.000 1.024 386 T CA -0.938 61.261 62.100 0.166 0.000 1.018 386 T CB 0.242 69.220 68.868 0.182 0.000 1.002 386 T HN 0.154 nan 8.240 nan 0.000 0.532 387 F N 3.143 123.108 119.950 0.025 0.000 2.506 387 F HA 0.354 4.881 4.527 -0.000 0.000 0.351 387 F C -1.204 174.461 175.800 -0.224 0.000 1.136 387 F CA -1.991 56.003 58.000 -0.010 0.000 1.298 387 F CB 0.905 39.931 39.000 0.043 0.000 1.145 387 F HN 0.434 nan 8.300 nan 0.000 0.593 388 P HA -0.011 nan 4.420 nan 0.000 0.262 388 P C 0.640 177.587 177.300 -0.588 0.000 1.304 388 P CA 0.602 63.024 63.100 -1.131 0.000 0.859 388 P CB -0.083 31.132 31.700 -0.808 0.000 1.310 389 Y N 2.537 122.738 120.300 -0.164 0.000 2.207 389 Y HA -0.205 4.345 4.550 -0.000 0.000 0.287 389 Y C 2.392 178.176 175.900 -0.193 0.000 1.156 389 Y CA 1.578 59.590 58.100 -0.145 0.000 1.182 389 Y CB -1.525 36.834 38.460 -0.169 0.000 0.979 389 Y HN 0.113 nan 8.280 nan 0.000 0.521 390 D N -1.303 119.036 120.400 -0.102 0.000 2.182 390 D HA -0.250 4.390 4.640 -0.000 0.000 0.201 390 D C 1.676 177.721 176.300 -0.425 0.000 0.986 390 D CA 1.249 55.093 54.000 -0.259 0.000 0.847 390 D CB -0.941 39.705 40.800 -0.257 0.000 0.942 390 D HN 0.443 nan 8.370 nan 0.000 0.467 391 W N 0.805 121.924 121.300 -0.303 0.000 2.488 391 W HA 0.243 4.903 4.660 -0.000 0.000 0.304 391 W C 2.650 179.053 176.519 -0.193 0.000 1.175 391 W CA 0.058 57.232 57.345 -0.285 0.000 1.365 391 W CB -0.283 28.924 29.460 -0.420 0.000 1.131 391 W HN -0.168 nan 8.180 nan 0.000 0.520 392 I N 0.414 121.019 120.570 0.059 0.000 2.151 392 I HA -0.411 3.759 4.170 -0.000 0.000 0.243 392 I C 2.679 178.818 176.117 0.037 0.000 1.080 392 I CA 1.924 63.274 61.300 0.084 0.000 1.339 392 I CB -1.028 37.074 38.000 0.170 0.000 1.039 392 I HN -0.011 nan 8.210 nan 0.000 0.409 393 S N 1.128 116.802 115.700 -0.042 0.000 2.382 393 S HA -0.180 4.290 4.470 -0.000 0.000 0.228 393 S C 2.083 176.582 174.600 -0.168 0.000 1.027 393 S CA 1.046 59.173 58.200 -0.120 0.000 0.991 393 S CB -0.774 62.301 63.200 -0.208 0.000 0.823 393 S HN 0.432 nan 8.310 nan 0.000 0.469 394 L N 0.620 121.703 121.223 -0.232 0.000 2.017 394 L HA -0.010 4.329 4.340 -0.000 0.000 0.208 394 L C 2.611 179.450 176.870 -0.053 0.000 1.073 394 L CA 1.651 56.330 54.840 -0.269 0.000 0.745 394 L CB -0.448 41.350 42.059 -0.434 0.000 0.894 394 L HN 0.376 nan 8.230 nan 0.000 0.432 395 I N -0.542 120.051 120.570 0.039 0.000 2.226 395 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 395 I C 2.752 178.977 176.117 0.179 0.000 1.100 395 I CA 1.090 62.468 61.300 0.130 0.000 1.374 395 I CB -0.562 37.519 38.000 0.136 0.000 1.057 395 I HN 0.214 nan 8.210 nan 0.000 0.413 396 A N 0.656 123.561 122.820 0.141 0.000 1.858 396 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 396 A C 2.526 180.271 177.584 0.268 0.000 1.190 396 A CA 2.297 54.450 52.037 0.194 0.000 0.617 396 A CB -0.904 18.164 19.000 0.114 0.000 0.827 396 A HN 0.396 nan 8.150 nan 0.000 0.443 397 S N 0.319 116.132 115.700 0.188 0.000 2.374 397 S HA -0.132 4.338 4.470 -0.000 0.000 0.227 397 S C 2.285 177.216 174.600 0.552 0.000 1.037 397 S CA 1.390 59.785 58.200 0.325 0.000 1.024 397 S CB -0.652 62.691 63.200 0.239 0.000 0.861 397 S HN 0.838 nan 8.310 nan 0.000 0.456 398 A N 0.958 124.025 122.820 0.412 0.000 1.865 398 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 398 A C 2.004 179.842 177.584 0.424 0.000 1.191 398 A CA 1.868 54.151 52.037 0.410 0.000 0.623 398 A CB -1.161 18.005 19.000 0.277 0.000 0.826 398 A HN 0.554 nan 8.150 nan 0.000 0.444 399 Y N -1.035 119.430 120.300 0.276 0.000 2.333 399 Y HA -0.223 4.327 4.550 -0.000 0.000 0.290 399 Y C 2.197 178.256 175.900 0.264 0.000 1.144 399 Y CA 1.201 59.433 58.100 0.221 0.000 1.228 399 Y CB -0.331 38.225 38.460 0.161 0.000 0.985 399 Y HN 0.575 nan 8.280 nan 0.000 0.542 400 W N 0.051 121.394 121.300 0.072 0.000 2.353 400 W HA -0.296 4.364 4.660 -0.000 0.000 0.319 400 W C 1.598 178.121 176.519 0.007 0.000 1.207 400 W CA 2.203 59.540 57.345 -0.014 0.000 1.291 400 W CB -1.018 28.414 29.460 -0.046 0.000 1.159 400 W HN 0.137 nan 8.180 nan 0.000 0.478 401 F N 1.095 121.236 119.950 0.317 0.000 2.234 401 F HA -0.107 4.420 4.527 -0.000 0.000 0.299 401 F C 2.738 178.557 175.800 0.033 0.000 1.087 401 F CA 1.785 59.908 58.000 0.204 0.000 1.340 401 F CB -1.414 37.709 39.000 0.205 0.000 1.031 401 F HN -0.113 nan 8.300 nan 0.000 0.500 402 A N -0.116 122.793 122.820 0.148 0.000 1.873 402 A HA -0.315 4.005 4.320 -0.000 0.000 0.218 402 A C 2.093 179.540 177.584 -0.228 0.000 1.193 402 A CA 2.028 54.051 52.037 -0.023 0.000 0.629 402 A CB -1.581 17.414 19.000 -0.010 0.000 0.826 402 A HN 0.482 nan 8.150 nan 0.000 0.447 403 Y N -0.524 119.395 120.300 -0.635 0.000 2.097 403 Y HA -0.238 4.312 4.550 -0.000 0.000 0.282 403 Y C 1.966 177.467 175.900 -0.666 0.000 1.152 403 Y CA 2.102 59.714 58.100 -0.813 0.000 1.136 403 Y CB -0.575 37.163 38.460 -1.204 0.000 0.975 403 Y HN 0.274 nan 8.280 nan 0.000 0.498 404 F N -0.761 118.863 119.950 -0.544 0.000 2.187 404 F HA -0.065 4.462 4.527 -0.000 0.000 0.295 404 F C 2.171 177.805 175.800 -0.277 0.000 1.091 404 F CA 1.076 58.783 58.000 -0.488 0.000 1.308 404 F CB -0.577 38.205 39.000 -0.363 0.000 1.030 404 F HN -0.032 nan 8.300 nan 0.000 0.487 405 L N -1.193 120.051 121.223 0.036 0.000 2.240 405 L HA -0.052 4.288 4.340 -0.000 0.000 0.211 405 L C 1.668 178.528 176.870 -0.017 0.000 1.106 405 L CA 0.413 55.280 54.840 0.045 0.000 0.793 405 L CB -0.236 41.900 42.059 0.129 0.000 0.927 405 L HN 0.011 nan 8.230 nan 0.000 0.446 406 V N -1.206 118.664 119.914 -0.073 0.000 3.097 406 V HA 0.019 4.139 4.120 -0.000 0.000 0.223 406 V C 2.036 178.043 176.094 -0.145 0.000 1.199 406 V CA 0.118 62.371 62.300 -0.079 0.000 1.260 406 V CB 0.124 31.919 31.823 -0.047 0.000 1.155 406 V HN 0.068 nan 8.190 nan 0.000 0.509 407 I N 0.578 121.006 120.570 -0.236 0.000 2.091 407 I HA -0.354 3.816 4.170 -0.000 0.000 0.240 407 I C 2.487 178.456 176.117 -0.247 0.000 1.046 407 I CA 2.054 63.166 61.300 -0.314 0.000 1.306 407 I CB -0.450 37.256 38.000 -0.491 0.000 1.018 407 I HN 0.269 nan 8.210 nan 0.000 0.404 408 L N 0.109 121.117 121.223 -0.359 0.000 2.012 408 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 408 L C -0.164 176.636 176.870 -0.117 0.000 1.073 408 L CA 1.826 56.512 54.840 -0.257 0.000 0.748 408 L CB -1.796 40.015 42.059 -0.412 0.000 0.891 408 L HN 0.191 nan 8.230 nan 0.000 0.431 409 P HA -0.154 nan 4.420 nan 0.000 0.217 409 P C 1.592 178.877 177.300 -0.026 0.000 1.150 409 P CA 1.230 64.301 63.100 -0.048 0.000 0.832 409 P CB 0.107 31.786 31.700 -0.035 0.000 0.787 410 I N -1.292 119.258 120.570 -0.033 0.000 2.233 410 I HA -0.151 4.019 4.170 -0.000 0.000 0.243 410 I C 2.197 178.329 176.117 0.025 0.000 1.093 410 I CA 1.157 62.454 61.300 -0.005 0.000 1.380 410 I CB -1.428 36.565 38.000 -0.012 0.000 1.067 410 I HN -0.104 nan 8.210 nan 0.000 0.413 411 L N 0.435 121.683 121.223 0.042 0.000 2.129 411 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 411 L C 2.491 179.399 176.870 0.063 0.000 1.087 411 L CA 1.995 56.895 54.840 0.099 0.000 0.757 411 L CB -2.110 40.054 42.059 0.176 0.000 0.896 411 L HN 0.370 nan 8.230 nan 0.000 0.434 412 G N -0.594 108.224 108.800 0.030 0.000 2.442 412 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 412 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 412 G C 1.676 176.584 174.900 0.014 0.000 1.141 412 G CA 1.013 46.120 45.100 0.011 0.000 0.763 412 G HN 0.515 nan 8.290 nan 0.000 0.554 413 A N -0.199 122.633 122.820 0.020 0.000 1.956 413 A HA 0.411 4.731 4.320 -0.000 0.000 0.212 413 A C 2.202 179.803 177.584 0.028 0.000 1.188 413 A CA 0.430 52.479 52.037 0.020 0.000 0.675 413 A CB -0.003 19.008 19.000 0.018 0.000 0.845 413 A HN 0.325 nan 8.150 nan 0.000 0.455 414 I N 0.257 120.851 120.570 0.040 0.000 3.062 414 I HA -0.075 4.095 4.170 -0.000 0.000 0.217 414 I C 1.102 177.250 176.117 0.051 0.000 1.045 414 I CA 0.465 61.794 61.300 0.049 0.000 1.415 414 I CB -0.844 37.196 38.000 0.066 0.000 1.269 414 I HN 0.574 nan 8.210 nan 0.000 0.414 415 E N 3.361 123.603 120.200 0.070 0.000 3.699 415 E HA -0.236 4.114 4.350 -0.000 0.000 0.324 415 E C -0.695 175.933 176.600 0.046 0.000 0.801 415 E CA 0.696 57.138 56.400 0.069 0.000 1.045 415 E CB 0.063 29.820 29.700 0.095 0.000 1.006 415 E HN 0.195 nan 8.360 nan 0.000 0.519 416 K N 5.140 125.565 120.400 0.042 0.000 2.292 416 K HA 0.280 4.600 4.320 -0.000 0.000 0.270 416 K C -2.203 174.416 176.600 0.032 0.000 1.062 416 K CA -1.784 54.521 56.287 0.030 0.000 0.916 416 K CB 1.394 33.910 32.500 0.026 0.000 1.166 416 K HN 0.478 nan 8.250 nan 0.000 0.458 417 P HA 0.029 nan 4.420 nan 0.000 0.271 417 P C -0.113 177.204 177.300 0.029 0.000 1.238 417 P CA -0.399 62.718 63.100 0.029 0.000 0.794 417 P CB 0.619 32.326 31.700 0.010 0.000 0.959 418 V N -0.197 119.747 119.914 0.050 0.000 3.267 418 V HA 0.581 4.701 4.120 -0.000 0.000 0.317 418 V C 0.100 176.152 176.094 -0.070 0.000 1.131 418 V CA -0.867 61.448 62.300 0.025 0.000 1.031 418 V CB 1.462 33.346 31.823 0.101 0.000 1.159 418 V HN 0.609 nan 8.190 nan 0.000 0.454 419 A N 3.338 126.082 122.820 -0.128 0.000 2.376 419 A HA 0.583 4.903 4.320 -0.000 0.000 0.298 419 A C -2.142 175.169 177.584 -0.454 0.000 1.271 419 A CA -1.043 50.870 52.037 -0.206 0.000 0.926 419 A CB -0.462 18.458 19.000 -0.133 0.000 1.141 419 A HN 0.562 nan 8.150 nan 0.000 0.539 420 P HA 0.388 nan 4.420 nan 0.000 0.290 420 P C -2.728 174.335 177.300 -0.396 0.000 1.276 420 P CA -1.470 61.124 63.100 -0.842 0.000 0.808 420 P CB 0.461 31.864 31.700 -0.494 0.000 0.966 421 P HA -0.076 nan 4.420 nan 0.000 0.268 421 P C 0.825 178.075 177.300 -0.084 0.000 1.189 421 P CA 0.360 63.386 63.100 -0.122 0.000 0.771 421 P CB 0.258 31.938 31.700 -0.033 0.000 0.822 422 A N 1.532 124.317 122.820 -0.057 0.000 2.072 422 A HA 0.136 4.456 4.320 -0.000 0.000 0.216 422 A C 0.849 178.419 177.584 -0.024 0.000 1.156 422 A CA 1.641 53.653 52.037 -0.042 0.000 0.701 422 A CB -0.515 18.464 19.000 -0.036 0.000 0.816 422 A HN 0.640 nan 8.150 nan 0.000 0.458 423 T N -4.645 109.901 114.554 -0.014 0.000 2.894 423 T HA 0.562 4.912 4.350 -0.000 0.000 0.309 423 T C 0.678 175.384 174.700 0.009 0.000 1.208 423 T CA -0.483 61.615 62.100 -0.004 0.000 1.016 423 T CB 0.797 69.664 68.868 -0.002 0.000 1.192 423 T HN 0.017 nan 8.240 nan 0.000 0.491 424 I N 0.684 121.256 120.570 0.003 0.000 2.361 424 I HA -0.117 4.053 4.170 -0.000 0.000 0.251 424 I C 2.770 178.913 176.117 0.042 0.000 1.133 424 I CA 1.248 62.551 61.300 0.005 0.000 1.413 424 I CB -0.261 37.715 38.000 -0.039 0.000 1.073 424 I HN 0.846 nan 8.210 nan 0.000 0.424 425 E N 1.353 121.576 120.200 0.039 0.000 2.023 425 E HA -0.314 4.036 4.350 -0.000 0.000 0.196 425 E C 2.130 178.788 176.600 0.096 0.000 1.003 425 E CA 1.757 58.208 56.400 0.085 0.000 0.809 425 E CB -0.127 29.602 29.700 0.048 0.000 0.755 425 E HN 0.464 nan 8.360 nan 0.000 0.449 426 E N 0.401 120.629 120.200 0.047 0.000 2.130 426 E HA -0.264 4.086 4.350 -0.000 0.000 0.196 426 E C 1.897 178.520 176.600 0.037 0.000 0.998 426 E CA 1.606 58.023 56.400 0.027 0.000 0.806 426 E CB -0.150 29.554 29.700 0.007 0.000 0.738 426 E HN 0.259 nan 8.360 nan 0.000 0.459 427 D N -0.531 119.907 120.400 0.063 0.000 2.123 427 D HA -0.142 4.498 4.640 -0.000 0.000 0.200 427 D C 1.895 178.260 176.300 0.107 0.000 0.976 427 D CA 0.640 54.687 54.000 0.078 0.000 0.831 427 D CB -0.254 40.601 40.800 0.092 0.000 0.974 427 D HN 0.217 nan 8.370 nan 0.000 0.469 428 F N 2.372 122.299 119.950 -0.038 0.000 2.075 428 F HA -0.133 4.394 4.527 -0.000 0.000 0.297 428 F C 2.049 177.820 175.800 -0.048 0.000 1.113 428 F CA 1.329 59.297 58.000 -0.054 0.000 1.218 428 F CB -0.749 38.209 39.000 -0.069 0.000 0.984 428 F HN -0.082 nan 8.300 nan 0.000 0.472 429 N N 1.077 119.684 118.700 -0.156 0.000 2.149 429 N HA -0.130 4.610 4.740 -0.000 0.000 0.188 429 N C 1.121 176.509 175.510 -0.203 0.000 1.019 429 N CA 0.981 53.872 53.050 -0.265 0.000 0.857 429 N CB -0.831 37.593 38.487 -0.105 0.000 0.997 429 N HN 0.366 nan 8.380 nan 0.000 0.426 430 A N 0.000 122.756 122.820 -0.106 0.000 2.254 430 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 430 A CA 0.000 51.995 52.037 -0.071 0.000 0.836 430 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 430 A HN 0.000 nan 8.150 nan 0.000 0.486