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 2qjk_1_J 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 0.000 174.926 174.900 0.044 0.000 0.946 3 G CA 0.000 45.143 45.100 0.071 0.000 0.502 4 I N 2.441 123.054 120.570 0.071 0.000 2.603 4 I HA 0.518 4.689 4.170 0.000 0.000 0.300 4 I C -2.533 173.546 176.117 -0.064 0.000 1.017 4 I CA -2.594 58.730 61.300 0.041 0.000 1.098 4 I CB 1.958 40.016 38.000 0.098 0.000 1.279 4 I HN -0.027 nan 8.210 nan 0.000 0.437 5 P HA 0.199 nan 4.420 nan 0.000 0.264 5 P C -1.449 175.816 177.300 -0.059 0.000 1.229 5 P CA 0.350 63.362 63.100 -0.146 0.000 0.780 5 P CB -0.104 31.560 31.700 -0.060 0.000 0.808 6 H N -0.404 118.702 119.070 0.060 0.000 3.016 6 H HA 0.623 5.179 4.556 0.000 0.000 0.362 6 H C -1.232 174.153 175.328 0.095 0.000 1.233 6 H CA -1.556 54.549 56.048 0.096 0.000 1.124 6 H CB 0.390 30.225 29.762 0.122 0.000 1.850 6 H HN 0.169 nan 8.280 nan 0.000 0.549 7 D N -0.625 120.001 120.400 0.378 0.000 2.193 7 D HA 0.264 4.905 4.640 0.000 0.000 0.249 7 D C 0.387 176.987 176.300 0.500 0.000 1.034 7 D CA -0.729 53.463 54.000 0.320 0.000 0.902 7 D CB 1.071 42.030 40.800 0.265 0.000 1.182 7 D HN 0.840 nan 8.370 nan 0.000 0.436 8 H N -1.190 118.070 119.070 0.318 0.000 2.523 8 H HA 0.317 4.874 4.556 0.000 0.000 0.317 8 H C -0.632 174.743 175.328 0.078 0.000 1.511 8 H CA -1.314 54.917 56.048 0.306 0.000 1.499 8 H CB 0.294 30.198 29.762 0.237 0.000 1.742 8 H HN 0.519 nan 8.280 nan 0.000 0.750 9 Y N 0.639 120.818 120.300 -0.201 0.000 2.359 9 Y HA 0.196 4.746 4.550 0.000 0.000 0.330 9 Y C -0.669 174.963 175.900 -0.447 0.000 1.143 9 Y CA -0.554 57.147 58.100 -0.665 0.000 1.318 9 Y CB 1.042 39.215 38.460 -0.479 0.000 1.234 9 Y HN 0.691 nan 8.280 nan 0.000 0.522 10 E N 7.733 127.387 120.200 -0.911 0.000 2.255 10 E HA 0.436 4.786 4.350 0.000 0.000 0.256 10 E C -2.886 173.168 176.600 -0.911 0.000 0.887 10 E CA -2.791 53.139 56.400 -0.784 0.000 0.782 10 E CB 1.218 30.680 29.700 -0.397 0.000 1.214 10 E HN 0.402 nan 8.360 nan 0.000 0.417 11 P HA 0.046 nan 4.420 nan 0.000 0.262 11 P C -0.012 177.106 177.300 -0.302 0.000 1.182 11 P CA -0.032 62.739 63.100 -0.550 0.000 0.761 11 P CB 0.812 32.299 31.700 -0.355 0.000 0.795 12 R N 0.985 121.373 120.500 -0.187 0.000 2.196 12 R HA 0.175 4.515 4.340 0.000 0.000 0.186 12 R C 0.570 176.841 176.300 -0.048 0.000 1.163 12 R CA 0.753 56.789 56.100 -0.107 0.000 1.146 12 R CB -1.061 29.190 30.300 -0.082 0.000 1.113 12 R HN 0.351 nan 8.270 nan 0.000 0.513 13 T N 0.472 115.017 114.554 -0.015 0.000 2.855 13 T HA 0.150 4.500 4.350 0.000 0.000 0.314 13 T C 1.499 176.215 174.700 0.026 0.000 1.077 13 T CA 0.470 62.576 62.100 0.009 0.000 1.095 13 T CB 1.003 69.887 68.868 0.027 0.000 0.987 13 T HN 0.414 nan 8.240 nan 0.000 0.546 14 G N 0.545 109.361 108.800 0.027 0.000 2.421 14 G HA2 -0.135 3.826 3.960 0.000 0.000 0.216 14 G HA3 -0.135 3.826 3.960 0.000 0.000 0.216 14 G C 1.500 176.465 174.900 0.109 0.000 1.171 14 G CA 0.463 45.592 45.100 0.049 0.000 0.775 14 G HN 0.749 nan 8.290 nan 0.000 0.543 15 I N 0.632 121.252 120.570 0.083 0.000 2.185 15 I HA -0.241 3.929 4.170 0.000 0.000 0.246 15 I C 2.760 179.018 176.117 0.236 0.000 1.088 15 I CA 1.498 62.882 61.300 0.139 0.000 1.347 15 I CB -0.313 37.731 38.000 0.074 0.000 1.041 15 I HN 0.282 nan 8.210 nan 0.000 0.415 16 E N 1.066 121.366 120.200 0.166 0.000 2.031 16 E HA -0.235 4.116 4.350 0.000 0.000 0.193 16 E C 2.182 178.900 176.600 0.196 0.000 0.994 16 E CA 1.310 57.823 56.400 0.188 0.000 0.800 16 E CB -0.058 29.721 29.700 0.132 0.000 0.752 16 E HN 0.478 nan 8.360 nan 0.000 0.447 17 K N -0.206 120.272 120.400 0.129 0.000 2.211 17 K HA -0.197 4.124 4.320 0.000 0.000 0.204 17 K C 1.802 178.502 176.600 0.166 0.000 1.047 17 K CA 1.282 57.626 56.287 0.095 0.000 0.935 17 K CB -0.195 32.334 32.500 0.048 0.000 0.728 17 K HN 0.255 nan 8.250 nan 0.000 0.452 18 W N 1.384 122.707 121.300 0.038 0.000 2.441 18 W HA -0.093 4.567 4.660 0.001 0.000 0.302 18 W C 1.795 178.345 176.519 0.050 0.000 1.191 18 W CA 0.599 57.964 57.345 0.035 0.000 1.327 18 W CB -0.350 29.122 29.460 0.020 0.000 1.128 18 W HN -0.062 nan 8.180 nan 0.000 0.522 19 L N 0.448 121.792 121.223 0.201 0.000 1.994 19 L HA -0.232 4.108 4.340 0.000 0.000 0.208 19 L C 2.779 179.620 176.870 -0.049 0.000 1.071 19 L CA 2.532 57.385 54.840 0.021 0.000 0.745 19 L CB -1.664 40.503 42.059 0.180 0.000 0.892 19 L HN 0.189 nan 8.230 nan 0.000 0.431 20 H N -0.536 118.533 119.070 -0.001 0.000 2.387 20 H HA -0.119 4.437 4.556 0.000 0.000 0.299 20 H C 2.129 177.417 175.328 -0.067 0.000 1.099 20 H CA 1.716 57.769 56.048 0.009 0.000 1.315 20 H CB 0.013 29.833 29.762 0.098 0.000 1.380 20 H HN 0.569 nan 8.280 nan 0.000 0.513 21 S N -0.075 115.684 115.700 0.099 0.000 2.507 21 S HA -0.030 4.441 4.470 0.000 0.000 0.235 21 S C 2.027 176.546 174.600 -0.135 0.000 0.988 21 S CA 0.685 58.892 58.200 0.012 0.000 0.944 21 S CB 0.095 63.272 63.200 -0.039 0.000 0.762 21 S HN 0.429 nan 8.310 nan 0.000 0.526 22 R N -0.533 119.822 120.500 -0.241 0.000 2.167 22 R HA 0.473 4.813 4.340 0.000 0.000 0.195 22 R C -0.495 175.668 176.300 -0.228 0.000 1.027 22 R CA 0.167 56.099 56.100 -0.281 0.000 1.114 22 R CB 0.115 30.137 30.300 -0.464 0.000 1.075 22 R HN 0.334 nan 8.270 nan 0.000 0.538 23 L N 2.507 123.590 121.223 -0.233 0.000 2.573 23 L HA 0.342 4.682 4.340 0.000 0.000 0.260 23 L C -2.550 174.181 176.870 -0.232 0.000 0.997 23 L CA -1.823 52.896 54.840 -0.202 0.000 0.890 23 L CB 2.004 43.967 42.059 -0.160 0.000 1.179 23 L HN -0.115 nan 8.230 nan 0.000 0.439 24 P HA -0.030 nan 4.420 nan 0.000 0.286 24 P C 1.344 178.474 177.300 -0.284 0.000 1.577 24 P CA 0.397 63.241 63.100 -0.426 0.000 0.805 24 P CB -0.071 31.300 31.700 -0.549 0.000 1.706 25 I N -0.319 120.124 120.570 -0.212 0.000 2.335 25 I HA -0.218 3.953 4.170 0.000 0.000 0.251 25 I C 1.748 177.739 176.117 -0.210 0.000 1.129 25 I CA 1.164 62.356 61.300 -0.180 0.000 1.402 25 I CB 0.202 38.124 38.000 -0.131 0.000 1.069 25 I HN -0.140 nan 8.210 nan 0.000 0.424 26 V N 1.263 121.023 119.914 -0.257 0.000 2.453 26 V HA -0.203 3.918 4.120 0.000 0.000 0.247 26 V C 2.741 178.457 176.094 -0.630 0.000 1.048 26 V CA 1.543 63.624 62.300 -0.366 0.000 1.049 26 V CB -1.204 30.416 31.823 -0.339 0.000 0.672 26 V HN 0.563 nan 8.190 nan 0.000 0.457 27 A N 0.303 122.694 122.820 -0.715 0.000 1.851 27 A HA -0.247 4.074 4.320 0.000 0.000 0.216 27 A C 2.197 179.667 177.584 -0.191 0.000 1.195 27 A CA 2.310 54.007 52.037 -0.567 0.000 0.622 27 A CB -0.767 18.140 19.000 -0.156 0.000 0.831 27 A HN 0.422 nan 8.150 nan 0.000 0.444 28 L N -0.199 120.921 121.223 -0.172 0.000 1.978 28 L HA -0.242 4.099 4.340 0.000 0.000 0.218 28 L C 2.821 179.623 176.870 -0.113 0.000 1.075 28 L CA 2.684 57.446 54.840 -0.130 0.000 0.767 28 L CB -0.846 41.114 42.059 -0.165 0.000 0.890 28 L HN 0.419 nan 8.230 nan 0.000 0.434 29 A N -1.725 121.018 122.820 -0.128 0.000 1.927 29 A HA -0.340 3.980 4.320 0.000 0.000 0.220 29 A C 2.259 179.821 177.584 -0.037 0.000 1.185 29 A CA 2.224 54.206 52.037 -0.092 0.000 0.639 29 A CB -1.303 17.639 19.000 -0.097 0.000 0.820 29 A HN 0.703 nan 8.150 nan 0.000 0.451 30 Y N 1.297 121.501 120.300 -0.160 0.000 2.070 30 Y HA -0.247 4.303 4.550 0.000 0.000 0.279 30 Y C 1.983 177.887 175.900 0.008 0.000 1.134 30 Y CA 2.234 60.293 58.100 -0.068 0.000 1.113 30 Y CB -0.399 38.018 38.460 -0.073 0.000 0.981 30 Y HN 0.376 nan 8.280 nan 0.000 0.487 31 D N -0.739 119.697 120.400 0.060 0.000 2.228 31 D HA -0.183 4.457 4.640 0.000 0.000 0.203 31 D C 1.999 178.249 176.300 -0.084 0.000 0.988 31 D CA 1.887 55.860 54.000 -0.046 0.000 0.864 31 D CB -0.423 40.395 40.800 0.030 0.000 0.928 31 D HN 0.432 nan 8.370 nan 0.000 0.469 32 T N 0.335 114.824 114.554 -0.109 0.000 2.896 32 T HA -0.026 4.325 4.350 0.000 0.000 0.263 32 T C 1.786 176.514 174.700 0.047 0.000 1.050 32 T CA 0.128 62.129 62.100 -0.164 0.000 1.140 32 T CB 0.137 68.866 68.868 -0.232 0.000 0.877 32 T HN 0.026 nan 8.240 nan 0.000 0.457 33 I N 0.436 121.042 120.570 0.061 0.000 3.728 33 I HA 0.243 4.414 4.170 0.000 0.000 0.307 33 I C 1.195 177.486 176.117 0.291 0.000 1.276 33 I CA 0.580 62.037 61.300 0.260 0.000 1.285 33 I CB 0.013 38.117 38.000 0.173 0.000 1.038 33 I HN 0.099 nan 8.210 nan 0.000 0.445 34 M N -0.305 119.291 119.600 -0.005 0.000 2.333 34 M HA 0.288 4.769 4.480 0.000 0.000 0.257 34 M C 0.741 177.093 176.300 0.087 0.000 1.078 34 M CA -0.225 55.048 55.300 -0.045 0.000 1.005 34 M CB -0.286 31.934 32.600 -0.634 0.000 1.444 34 M HN 0.004 nan 8.290 nan 0.000 0.496 35 I N 5.021 125.666 120.570 0.125 0.000 2.906 35 I HA -0.037 4.133 4.170 0.000 0.000 0.302 35 I C -1.711 174.516 176.117 0.183 0.000 1.220 35 I CA -0.736 60.637 61.300 0.122 0.000 1.441 35 I CB 0.819 38.858 38.000 0.066 0.000 1.336 35 I HN -0.020 nan 8.210 nan 0.000 0.565 36 P HA 0.098 nan 4.420 nan 0.000 0.271 36 P C -1.185 176.201 177.300 0.142 0.000 1.226 36 P CA -0.028 63.168 63.100 0.161 0.000 0.765 36 P CB 0.609 32.389 31.700 0.132 0.000 0.835 37 T N 5.307 119.989 114.554 0.213 0.000 2.848 37 T HA 0.375 4.725 4.350 0.000 0.000 0.285 37 T C -2.610 172.184 174.700 0.157 0.000 0.995 37 T CA -1.900 60.320 62.100 0.200 0.000 0.970 37 T CB 1.213 70.294 68.868 0.355 0.000 0.976 37 T HN 0.267 nan 8.240 nan 0.000 0.441 38 P HA -0.020 nan 4.420 nan 0.000 0.261 38 P C 0.479 177.728 177.300 -0.084 0.000 1.158 38 P CA 0.268 63.311 63.100 -0.095 0.000 0.758 38 P CB 0.800 32.403 31.700 -0.162 0.000 0.763 39 R N 2.914 123.227 120.500 -0.312 0.000 2.115 39 R HA -0.127 4.213 4.340 0.000 0.000 0.230 39 R C 1.890 177.951 176.300 -0.398 0.000 1.111 39 R CA 1.540 57.274 56.100 -0.610 0.000 0.976 39 R CB -0.521 28.851 30.300 -1.548 0.000 0.870 39 R HN 0.583 nan 8.270 nan 0.000 0.445 40 N N 1.583 120.134 118.700 -0.249 0.000 2.512 40 N HA -0.104 4.637 4.740 0.000 0.000 0.183 40 N C 0.269 175.665 175.510 -0.190 0.000 1.073 40 N CA 0.439 53.448 53.050 -0.070 0.000 0.911 40 N CB -0.377 38.087 38.487 -0.039 0.000 0.964 40 N HN 0.169 nan 8.380 nan 0.000 0.447 41 L N 2.036 123.063 121.223 -0.326 0.000 2.653 41 L HA -0.140 4.200 4.340 0.000 0.000 0.288 41 L C 0.670 177.380 176.870 -0.267 0.000 1.243 41 L CA 0.109 54.576 54.840 -0.620 0.000 0.906 41 L CB -0.390 41.259 42.059 -0.684 0.000 1.154 41 L HN 0.362 nan 8.230 nan 0.000 0.498 42 N N 1.446 120.004 118.700 -0.236 0.000 2.643 42 N HA 0.147 4.888 4.740 0.000 0.000 0.305 42 N C 0.251 175.997 175.510 0.395 0.000 1.283 42 N CA -0.689 52.393 53.050 0.054 0.000 0.946 42 N CB 0.105 38.670 38.487 0.130 0.000 1.149 42 N HN 0.531 nan 8.380 nan 0.000 0.600 43 W N -1.135 120.300 121.300 0.226 0.000 2.747 43 W HA 0.032 4.692 4.660 0.000 0.000 0.244 43 W C 0.782 177.465 176.519 0.273 0.000 1.270 43 W CA -0.234 57.231 57.345 0.199 0.000 1.333 43 W CB 0.106 29.672 29.460 0.177 0.000 1.139 43 W HN 0.291 nan 8.180 nan 0.000 0.662 44 M N -1.504 118.507 119.600 0.686 0.000 2.383 44 M HA 0.027 4.507 4.480 0.000 0.000 0.247 44 M C 0.896 177.488 176.300 0.487 0.000 1.117 44 M CA 0.427 56.118 55.300 0.652 0.000 0.995 44 M CB -0.619 32.313 32.600 0.553 0.000 1.480 44 M HN 0.272 nan 8.290 nan 0.000 0.485 45 W N 0.412 121.808 121.300 0.160 0.000 3.220 45 W HA 0.143 4.804 4.660 0.000 0.000 0.328 45 W C 1.658 178.181 176.519 0.006 0.000 1.205 45 W CA 0.183 57.573 57.345 0.075 0.000 1.773 45 W CB 0.358 29.798 29.460 -0.033 0.000 1.086 45 W HN 0.216 nan 8.180 nan 0.000 0.622 46 I N -3.109 117.469 120.570 0.014 0.000 2.617 46 I HA -0.113 4.057 4.170 0.000 0.000 0.256 46 I C 1.851 177.770 176.117 -0.331 0.000 1.167 46 I CA 1.044 62.211 61.300 -0.221 0.000 1.469 46 I CB -0.822 36.884 38.000 -0.490 0.000 1.098 46 I HN -0.190 nan 8.210 nan 0.000 0.436 47 W N 2.360 123.716 121.300 0.093 0.000 2.325 47 W HA -0.098 4.562 4.660 0.000 0.000 0.299 47 W C 2.719 179.185 176.519 -0.088 0.000 1.215 47 W CA 1.322 58.688 57.345 0.035 0.000 1.244 47 W CB -0.972 28.556 29.460 0.114 0.000 1.140 47 W HN 0.233 nan 8.180 nan 0.000 0.523 48 G N 0.256 109.091 108.800 0.058 0.000 2.476 48 G HA2 -0.302 3.658 3.960 0.000 0.000 0.218 48 G HA3 -0.302 3.658 3.960 0.000 0.000 0.218 48 G C 1.524 176.430 174.900 0.010 0.000 1.164 48 G CA 1.713 46.753 45.100 -0.100 0.000 0.768 48 G HN 0.188 nan 8.290 nan 0.000 0.560 49 V N 0.428 120.376 119.914 0.056 0.000 2.358 49 V HA -0.158 3.962 4.120 0.000 0.000 0.246 49 V C 3.115 179.246 176.094 0.061 0.000 1.047 49 V CA 1.530 63.881 62.300 0.085 0.000 1.035 49 V CB -0.137 31.744 31.823 0.098 0.000 0.658 49 V HN 0.261 nan 8.190 nan 0.000 0.452 50 V N -0.182 119.737 119.914 0.008 0.000 2.380 50 V HA -0.313 3.807 4.120 0.000 0.000 0.251 50 V C 2.257 178.401 176.094 0.082 0.000 1.063 50 V CA 2.047 64.362 62.300 0.025 0.000 1.055 50 V CB -0.691 31.181 31.823 0.081 0.000 0.657 50 V HN 0.444 nan 8.190 nan 0.000 0.455 51 L N -0.159 121.109 121.223 0.075 0.000 2.005 51 L HA -0.121 4.219 4.340 0.000 0.000 0.207 51 L C 2.810 179.653 176.870 -0.043 0.000 1.072 51 L CA 1.501 56.377 54.840 0.059 0.000 0.744 51 L CB -0.889 41.203 42.059 0.056 0.000 0.895 51 L HN 0.339 nan 8.230 nan 0.000 0.433 52 A N 0.322 123.156 122.820 0.024 0.000 1.870 52 A HA -0.362 3.958 4.320 0.000 0.000 0.219 52 A C 2.193 179.740 177.584 -0.061 0.000 1.224 52 A CA 2.399 54.446 52.037 0.017 0.000 0.650 52 A CB -1.308 17.749 19.000 0.096 0.000 0.836 52 A HN 0.427 nan 8.150 nan 0.000 0.454 53 F N 0.451 120.325 119.950 -0.127 0.000 2.063 53 F HA -0.336 4.191 4.527 0.000 0.000 0.298 53 F C 2.596 178.229 175.800 -0.279 0.000 1.109 53 F CA 1.931 59.841 58.000 -0.149 0.000 1.212 53 F CB -0.862 38.066 39.000 -0.120 0.000 0.973 53 F HN 0.347 nan 8.300 nan 0.000 0.480 54 C N 0.071 119.202 119.300 -0.282 0.000 2.398 54 C HA -0.211 4.249 4.460 0.000 0.000 0.276 54 C C 2.656 177.102 174.990 -0.907 0.000 1.222 54 C CA 1.132 59.744 59.018 -0.676 0.000 1.746 54 C CB -1.566 25.585 27.740 -0.981 0.000 2.039 54 C HN 0.669 nan 8.230 nan 0.000 0.470 55 L N 0.887 121.599 121.223 -0.852 0.000 1.990 55 L HA -0.133 4.207 4.340 0.000 0.000 0.213 55 L C 2.526 179.146 176.870 -0.417 0.000 1.072 55 L CA 2.040 56.526 54.840 -0.589 0.000 0.755 55 L CB -0.943 40.947 42.059 -0.281 0.000 0.889 55 L HN 0.235 nan 8.230 nan 0.000 0.432 56 V N -0.544 119.146 119.914 -0.373 0.000 2.233 56 V HA -0.304 3.816 4.120 0.000 0.000 0.247 56 V C 2.497 178.370 176.094 -0.369 0.000 1.050 56 V CA 1.782 63.892 62.300 -0.316 0.000 1.010 56 V CB -0.960 30.687 31.823 -0.292 0.000 0.637 56 V HN 0.559 nan 8.190 nan 0.000 0.444 57 L N 0.352 121.236 121.223 -0.565 0.000 1.991 57 L HA -0.281 4.059 4.340 0.000 0.000 0.221 57 L C 2.552 179.275 176.870 -0.245 0.000 1.079 57 L CA 2.195 56.755 54.840 -0.468 0.000 0.778 57 L CB -1.029 40.667 42.059 -0.605 0.000 0.893 57 L HN 0.312 nan 8.230 nan 0.000 0.437 58 Q N -0.277 119.351 119.800 -0.287 0.000 2.112 58 Q HA -0.207 4.133 4.340 0.000 0.000 0.206 58 Q C 2.390 178.351 176.000 -0.064 0.000 0.987 58 Q CA 2.471 58.191 55.803 -0.139 0.000 0.858 58 Q CB -0.510 28.063 28.738 -0.274 0.000 0.905 58 Q HN 0.696 nan 8.270 nan 0.000 0.420 59 I N 0.258 120.710 120.570 -0.197 0.000 2.252 59 I HA -0.214 3.956 4.170 0.000 0.000 0.245 59 I C 2.466 178.489 176.117 -0.156 0.000 1.102 59 I CA 1.107 62.271 61.300 -0.228 0.000 1.385 59 I CB -0.535 37.311 38.000 -0.256 0.000 1.064 59 I HN 0.092 nan 8.210 nan 0.000 0.414 60 V N -0.166 119.678 119.914 -0.117 0.000 2.244 60 V HA -0.225 3.896 4.120 0.000 0.000 0.244 60 V C 2.561 178.621 176.094 -0.057 0.000 1.042 60 V CA 2.318 64.576 62.300 -0.070 0.000 1.006 60 V CB -1.630 30.158 31.823 -0.058 0.000 0.641 60 V HN 0.559 nan 8.190 nan 0.000 0.446 61 T N -1.271 113.263 114.554 -0.034 0.000 2.849 61 T HA -0.049 4.301 4.350 0.000 0.000 0.270 61 T C 1.992 176.612 174.700 -0.133 0.000 1.066 61 T CA 1.703 63.793 62.100 -0.016 0.000 1.130 61 T CB -1.338 67.582 68.868 0.087 0.000 0.864 61 T HN 0.814 nan 8.240 nan 0.000 0.481 62 G N 1.977 110.663 108.800 -0.191 0.000 2.464 62 G HA2 -0.047 3.914 3.960 0.000 0.000 0.214 62 G HA3 -0.047 3.914 3.960 0.000 0.000 0.214 62 G C 1.524 176.267 174.900 -0.261 0.000 1.218 62 G CA 0.764 45.630 45.100 -0.389 0.000 0.794 62 G HN 0.548 nan 8.290 nan 0.000 0.542 63 I N 0.598 121.048 120.570 -0.199 0.000 2.185 63 I HA -0.241 3.929 4.170 0.000 0.000 0.246 63 I C 2.817 178.935 176.117 0.002 0.000 1.088 63 I CA 0.855 62.105 61.300 -0.084 0.000 1.347 63 I CB -0.592 37.408 38.000 -0.001 0.000 1.041 63 I HN 0.036 nan 8.210 nan 0.000 0.415 64 V N 1.188 121.102 119.914 -0.000 0.000 2.220 64 V HA -0.313 3.807 4.120 0.000 0.000 0.246 64 V C 2.472 178.641 176.094 0.125 0.000 1.049 64 V CA 2.046 64.384 62.300 0.062 0.000 1.003 64 V CB -0.626 31.226 31.823 0.048 0.000 0.634 64 V HN 0.357 nan 8.190 nan 0.000 0.444 65 L N 0.115 121.371 121.223 0.057 0.000 2.043 65 L HA -0.246 4.094 4.340 0.000 0.000 0.212 65 L C 2.684 179.658 176.870 0.173 0.000 1.075 65 L CA 1.749 56.651 54.840 0.103 0.000 0.752 65 L CB -0.813 41.204 42.059 -0.070 0.000 0.891 65 L HN 0.404 nan 8.230 nan 0.000 0.432 66 A N -0.378 122.517 122.820 0.125 0.000 2.032 66 A HA -0.243 4.077 4.320 0.000 0.000 0.221 66 A C 2.200 179.915 177.584 0.218 0.000 1.165 66 A CA 1.855 54.059 52.037 0.278 0.000 0.645 66 A CB -0.554 18.605 19.000 0.266 0.000 0.807 66 A HN 0.474 nan 8.150 nan 0.000 0.453 67 M N -1.389 118.243 119.600 0.053 0.000 2.619 67 M HA -0.004 4.477 4.480 0.000 0.000 0.251 67 M C 1.035 177.050 176.300 -0.476 0.000 1.106 67 M CA 0.833 56.016 55.300 -0.196 0.000 1.086 67 M CB -0.193 32.218 32.600 -0.316 0.000 1.465 67 M HN 0.473 nan 8.290 nan 0.000 0.506 68 H N -2.645 116.504 119.070 0.132 0.000 3.440 68 H HA 0.176 4.732 4.556 0.000 0.000 0.259 68 H C -0.328 175.067 175.328 0.111 0.000 1.120 68 H CA -0.222 55.900 56.048 0.125 0.000 1.191 68 H CB 0.406 30.265 29.762 0.161 0.000 1.537 68 H HN 0.236 nan 8.280 nan 0.000 0.547 69 Y N 2.529 122.875 120.300 0.078 0.000 2.304 69 Y HA 0.237 4.787 4.550 0.000 0.000 0.327 69 Y C -0.148 175.664 175.900 -0.147 0.000 1.209 69 Y CA 0.182 58.277 58.100 -0.007 0.000 1.299 69 Y CB 1.027 39.499 38.460 0.020 0.000 1.249 69 Y HN -0.209 nan 8.280 nan 0.000 0.519 70 T N 8.651 122.588 114.554 -1.028 0.000 2.864 70 T HA 0.244 4.594 4.350 0.000 0.000 0.310 70 T C -2.816 171.227 174.700 -1.095 0.000 1.040 70 T CA -1.417 60.193 62.100 -0.816 0.000 0.977 70 T CB 0.970 69.545 68.868 -0.489 0.000 0.976 70 T HN 0.433 nan 8.240 nan 0.000 0.459 71 P HA 0.117 nan 4.420 nan 0.000 0.256 71 P C -0.681 176.460 177.300 -0.265 0.000 1.688 71 P CA 0.156 62.990 63.100 -0.443 0.000 1.162 71 P CB -0.170 31.259 31.700 -0.451 0.000 1.870 72 H N 3.435 122.230 119.070 -0.459 0.000 3.273 72 H HA 0.007 4.564 4.556 0.000 0.000 0.312 72 H C 1.028 176.082 175.328 -0.458 0.000 1.301 72 H CA -0.244 55.557 56.048 -0.412 0.000 1.578 72 H CB 1.066 30.642 29.762 -0.309 0.000 2.161 72 H HN -0.012 nan 8.280 nan 0.000 0.399 73 V N 1.892 121.364 119.914 -0.737 0.000 2.295 73 V HA -0.400 3.720 4.120 0.000 0.000 0.261 73 V C 1.705 177.682 176.094 -0.195 0.000 1.097 73 V CA 2.567 64.431 62.300 -0.726 0.000 1.100 73 V CB -0.434 30.994 31.823 -0.657 0.000 0.737 73 V HN 0.641 nan 8.190 nan 0.000 0.458 74 D N 0.102 120.550 120.400 0.080 0.000 2.218 74 D HA -0.017 4.623 4.640 0.000 0.000 0.204 74 D C 2.001 178.317 176.300 0.026 0.000 0.976 74 D CA 2.043 56.097 54.000 0.090 0.000 0.853 74 D CB 0.004 40.881 40.800 0.128 0.000 0.939 74 D HN 0.595 nan 8.370 nan 0.000 0.481 75 L N -0.092 121.123 121.223 -0.014 0.000 2.435 75 L HA 0.222 4.562 4.340 0.000 0.000 0.195 75 L C 2.488 179.297 176.870 -0.102 0.000 1.072 75 L CA 0.491 55.272 54.840 -0.098 0.000 0.833 75 L CB -0.692 41.243 42.059 -0.206 0.000 1.081 75 L HN -0.151 nan 8.230 nan 0.000 0.485 76 A N 1.147 123.843 122.820 -0.208 0.000 1.853 76 A HA -0.401 3.919 4.320 0.000 0.000 0.255 76 A C 2.143 179.769 177.584 0.069 0.000 2.273 76 A CA 2.958 54.857 52.037 -0.230 0.000 0.797 76 A CB -1.512 17.380 19.000 -0.180 0.000 0.844 76 A HN 0.442 nan 8.150 nan 0.000 0.520 77 F N 0.440 120.423 119.950 0.055 0.000 2.084 77 F HA 0.050 4.578 4.527 0.000 0.000 0.296 77 F C 2.666 178.522 175.800 0.093 0.000 1.111 77 F CA 1.445 59.521 58.000 0.127 0.000 1.224 77 F CB -0.814 38.275 39.000 0.150 0.000 0.991 77 F HN 0.333 nan 8.300 nan 0.000 0.471 78 A N -0.561 122.321 122.820 0.104 0.000 1.892 78 A HA -0.277 4.044 4.320 0.000 0.000 0.218 78 A C 2.385 179.948 177.584 -0.035 0.000 1.188 78 A CA 2.308 54.341 52.037 -0.006 0.000 0.631 78 A CB -1.668 17.350 19.000 0.029 0.000 0.822 78 A HN 0.498 nan 8.150 nan 0.000 0.447 79 S N -0.689 114.981 115.700 -0.051 0.000 2.381 79 S HA -0.204 4.266 4.470 0.000 0.000 0.230 79 S C 1.854 176.496 174.600 0.070 0.000 1.052 79 S CA 2.230 60.395 58.200 -0.058 0.000 1.068 79 S CB -0.626 62.429 63.200 -0.242 0.000 0.918 79 S HN 0.367 nan 8.310 nan 0.000 0.448 80 V N 1.571 121.512 119.914 0.045 0.000 2.488 80 V HA -0.001 4.119 4.120 0.000 0.000 0.246 80 V C 2.813 178.884 176.094 -0.039 0.000 1.046 80 V CA 1.659 63.992 62.300 0.056 0.000 1.053 80 V CB -0.681 31.183 31.823 0.068 0.000 0.679 80 V HN 0.406 nan 8.190 nan 0.000 0.458 81 E N -0.110 119.998 120.200 -0.153 0.000 2.106 81 E HA -0.228 4.122 4.350 0.000 0.000 0.192 81 E C 2.067 178.642 176.600 -0.042 0.000 0.984 81 E CA 1.526 57.843 56.400 -0.137 0.000 0.806 81 E CB -0.325 29.251 29.700 -0.207 0.000 0.750 81 E HN 0.830 nan 8.360 nan 0.000 0.458 82 H N 0.985 120.008 119.070 -0.078 0.000 2.265 82 H HA -0.095 4.461 4.556 0.000 0.000 0.295 82 H C 2.156 177.457 175.328 -0.046 0.000 1.084 82 H CA 2.291 58.311 56.048 -0.047 0.000 1.261 82 H CB -0.427 29.315 29.762 -0.034 0.000 1.360 82 H HN 0.070 nan 8.280 nan 0.000 0.487 83 I N -0.151 120.377 120.570 -0.071 0.000 2.194 83 I HA -0.339 3.831 4.170 0.000 0.000 0.246 83 I C 2.241 178.255 176.117 -0.172 0.000 1.093 83 I CA 1.298 62.504 61.300 -0.156 0.000 1.355 83 I CB -0.361 37.634 38.000 -0.009 0.000 1.046 83 I HN 0.409 nan 8.210 nan 0.000 0.413 84 M N 0.269 119.806 119.600 -0.106 0.000 2.067 84 M HA -0.178 4.302 4.480 0.000 0.000 0.260 84 M C 2.408 178.689 176.300 -0.032 0.000 1.069 84 M CA 1.946 57.208 55.300 -0.063 0.000 1.117 84 M CB -1.173 31.385 32.600 -0.069 0.000 1.334 84 M HN 0.208 nan 8.290 nan 0.000 0.407 85 R N -0.688 119.761 120.500 -0.085 0.000 2.161 85 R HA -0.002 4.338 4.340 0.000 0.000 0.213 85 R C 1.629 177.862 176.300 -0.112 0.000 1.055 85 R CA 0.817 56.871 56.100 -0.076 0.000 0.996 85 R CB 0.006 30.267 30.300 -0.066 0.000 0.901 85 R HN 0.437 nan 8.270 nan 0.000 0.456 86 N N -0.258 118.293 118.700 -0.248 0.000 2.684 86 N HA 0.043 4.784 4.740 0.000 0.000 0.220 86 N C 0.253 175.598 175.510 -0.275 0.000 1.037 86 N CA 0.125 53.004 53.050 -0.285 0.000 0.975 86 N CB -0.025 38.202 38.487 -0.435 0.000 1.426 86 N HN -0.170 nan 8.380 nan 0.000 0.450 87 V N 3.847 123.513 119.914 -0.413 0.000 2.814 87 V HA -0.090 4.031 4.120 0.000 0.000 0.307 87 V C 0.394 176.359 176.094 -0.216 0.000 1.089 87 V CA -0.083 62.004 62.300 -0.355 0.000 1.212 87 V CB -0.066 31.403 31.823 -0.590 0.000 0.912 87 V HN 0.275 nan 8.190 nan 0.000 0.497 88 N N 4.204 122.809 118.700 -0.159 0.000 2.423 88 N HA 0.137 4.878 4.740 0.000 0.000 0.275 88 N C 1.162 176.580 175.510 -0.153 0.000 1.283 88 N CA 1.109 54.100 53.050 -0.098 0.000 0.932 88 N CB 0.720 39.174 38.487 -0.055 0.000 1.185 88 N HN 1.137 nan 8.380 nan 0.000 0.483 89 G N 1.657 110.343 108.800 -0.190 0.000 2.143 89 G HA2 -0.289 3.672 3.960 0.000 0.000 0.248 89 G HA3 -0.289 3.672 3.960 0.000 0.000 0.248 89 G C 1.197 175.761 174.900 -0.560 0.000 0.991 89 G CA 0.446 45.262 45.100 -0.473 0.000 0.689 89 G HN 0.684 nan 8.290 nan 0.000 0.522 90 G N 1.059 109.644 108.800 -0.358 0.000 2.459 90 G HA2 0.035 3.996 3.960 0.000 0.000 0.217 90 G HA3 0.035 3.996 3.960 0.000 0.000 0.217 90 G C 1.592 176.315 174.900 -0.294 0.000 1.183 90 G CA 1.603 46.532 45.100 -0.284 0.000 0.776 90 G HN 1.225 nan 8.290 nan 0.000 0.552 91 F N 0.810 120.669 119.950 -0.152 0.000 2.115 91 F HA -0.136 4.391 4.527 0.000 0.000 0.300 91 F C 2.323 178.031 175.800 -0.154 0.000 1.092 91 F CA 1.921 59.789 58.000 -0.219 0.000 1.245 91 F CB -0.763 38.147 39.000 -0.150 0.000 0.995 91 F HN 0.180 nan 8.300 nan 0.000 0.481 92 M N 0.591 119.552 119.600 -1.064 0.000 2.296 92 M HA 0.036 4.517 4.480 0.000 0.000 0.265 92 M C 1.694 177.908 176.300 -0.142 0.000 1.064 92 M CA 1.531 56.568 55.300 -0.438 0.000 1.109 92 M CB -0.587 31.614 32.600 -0.666 0.000 1.396 92 M HN 0.350 nan 8.290 nan 0.000 0.430 93 L N -1.289 119.815 121.223 -0.198 0.000 2.068 93 L HA -0.097 4.243 4.340 0.000 0.000 0.204 93 L C 2.707 179.597 176.870 0.033 0.000 1.076 93 L CA 0.694 55.500 54.840 -0.057 0.000 0.753 93 L CB -0.792 41.215 42.059 -0.087 0.000 0.910 93 L HN 0.231 nan 8.230 nan 0.000 0.439 94 R N 0.337 120.827 120.500 -0.018 0.000 2.132 94 R HA -0.250 4.090 4.340 0.000 0.000 0.233 94 R C 2.365 178.780 176.300 0.192 0.000 1.125 94 R CA 2.193 58.319 56.100 0.043 0.000 0.914 94 R CB -1.011 29.234 30.300 -0.091 0.000 0.845 94 R HN 0.204 nan 8.270 nan 0.000 0.431 95 Y N 1.042 121.432 120.300 0.150 0.000 2.139 95 Y HA -0.219 4.331 4.550 0.000 0.000 0.282 95 Y C 2.523 178.503 175.900 0.133 0.000 1.179 95 Y CA 1.141 59.331 58.100 0.151 0.000 1.161 95 Y CB -0.863 37.678 38.460 0.135 0.000 0.970 95 Y HN 0.089 nan 8.280 nan 0.000 0.511 96 L N -1.481 119.903 121.223 0.268 0.000 2.017 96 L HA -0.267 4.074 4.340 0.000 0.000 0.208 96 L C 2.472 179.524 176.870 0.303 0.000 1.073 96 L CA 1.767 56.744 54.840 0.228 0.000 0.745 96 L CB -0.538 41.619 42.059 0.164 0.000 0.894 96 L HN 0.238 nan 8.230 nan 0.000 0.432 97 H N -0.444 118.723 119.070 0.161 0.000 2.353 97 H HA -0.145 4.411 4.556 0.000 0.000 0.300 97 H C 2.033 177.469 175.328 0.181 0.000 1.090 97 H CA 1.601 57.726 56.048 0.129 0.000 1.327 97 H CB 0.062 29.881 29.762 0.095 0.000 1.383 97 H HN 0.342 nan 8.280 nan 0.000 0.508 98 A N 0.602 123.587 122.820 0.276 0.000 1.832 98 A HA -0.181 4.139 4.320 0.000 0.000 0.214 98 A C 2.247 179.988 177.584 0.262 0.000 1.200 98 A CA 1.555 53.745 52.037 0.256 0.000 0.610 98 A CB -0.622 18.579 19.000 0.335 0.000 0.842 98 A HN 0.582 nan 8.150 nan 0.000 0.444 99 N N 0.193 119.085 118.700 0.320 0.000 2.430 99 N HA -0.134 4.606 4.740 0.000 0.000 0.186 99 N C 1.700 177.458 175.510 0.413 0.000 1.032 99 N CA 1.165 54.449 53.050 0.390 0.000 0.893 99 N CB -0.392 38.316 38.487 0.368 0.000 0.957 99 N HN 0.548 nan 8.380 nan 0.000 0.442 100 G N 1.012 109.984 108.800 0.286 0.000 2.418 100 G HA2 -0.174 3.786 3.960 0.000 0.000 0.217 100 G HA3 -0.174 3.786 3.960 0.000 0.000 0.217 100 G C 1.722 176.616 174.900 -0.010 0.000 1.158 100 G CA 0.989 46.110 45.100 0.036 0.000 0.771 100 G HN 0.398 nan 8.290 nan 0.000 0.545 101 A N 0.990 123.829 122.820 0.032 0.000 1.865 101 A HA -0.047 4.273 4.320 0.000 0.000 0.217 101 A C 2.723 180.388 177.584 0.135 0.000 1.191 101 A CA 2.408 54.459 52.037 0.023 0.000 0.623 101 A CB -0.875 18.147 19.000 0.037 0.000 0.826 101 A HN 0.324 nan 8.150 nan 0.000 0.444 102 S N -0.405 115.518 115.700 0.372 0.000 2.359 102 S HA -0.218 4.253 4.470 0.000 0.000 0.222 102 S C 1.910 176.822 174.600 0.521 0.000 1.038 102 S CA 1.669 60.275 58.200 0.677 0.000 1.051 102 S CB -0.647 63.002 63.200 0.749 0.000 0.944 102 S HN 0.534 nan 8.310 nan 0.000 0.433 103 L N 1.234 122.635 121.223 0.296 0.000 2.013 103 L HA -0.111 4.230 4.340 0.000 0.000 0.212 103 L C 2.010 178.981 176.870 0.169 0.000 1.073 103 L CA 1.786 56.718 54.840 0.153 0.000 0.753 103 L CB -0.893 41.061 42.059 -0.175 0.000 0.890 103 L HN 0.237 nan 8.230 nan 0.000 0.432 104 F N -0.527 119.337 119.950 -0.143 0.000 2.120 104 F HA -0.279 4.248 4.527 0.000 0.000 0.300 104 F C 2.133 177.687 175.800 -0.410 0.000 1.095 104 F CA 1.522 59.331 58.000 -0.319 0.000 1.249 104 F CB -0.844 37.850 39.000 -0.510 0.000 0.995 104 F HN 0.140 nan 8.300 nan 0.000 0.480 105 F N -0.100 119.813 119.950 -0.061 0.000 2.094 105 F HA -0.067 4.460 4.527 0.000 0.000 0.291 105 F C 2.535 178.301 175.800 -0.058 0.000 1.109 105 F CA 1.015 58.834 58.000 -0.301 0.000 1.221 105 F CB -1.105 37.597 39.000 -0.497 0.000 1.014 105 F HN -0.205 nan 8.300 nan 0.000 0.473 106 I N 0.158 121.043 120.570 0.525 0.000 2.182 106 I HA -0.451 3.719 4.170 0.000 0.000 0.248 106 I C 2.533 178.730 176.117 0.133 0.000 1.073 106 I CA 1.513 63.075 61.300 0.437 0.000 1.335 106 I CB -0.868 37.327 38.000 0.324 0.000 1.031 106 I HN 0.170 nan 8.210 nan 0.000 0.420 107 A N 0.638 123.522 122.820 0.106 0.000 1.841 107 A HA -0.154 4.167 4.320 0.000 0.000 0.214 107 A C 2.360 179.960 177.584 0.026 0.000 1.195 107 A CA 2.121 54.203 52.037 0.075 0.000 0.611 107 A CB -1.051 18.096 19.000 0.245 0.000 0.835 107 A HN 0.290 nan 8.150 nan 0.000 0.443 108 V N -1.895 117.999 119.914 -0.032 0.000 2.324 108 V HA -0.334 3.787 4.120 0.000 0.000 0.250 108 V C 2.400 178.497 176.094 0.006 0.000 1.060 108 V CA 2.116 64.382 62.300 -0.057 0.000 1.042 108 V CB -1.701 29.985 31.823 -0.227 0.000 0.650 108 V HN 0.535 nan 8.190 nan 0.000 0.450 109 Y N 0.590 120.969 120.300 0.131 0.000 2.145 109 Y HA -0.090 4.460 4.550 0.000 0.000 0.286 109 Y C 2.444 178.391 175.900 0.079 0.000 1.145 109 Y CA 0.956 59.101 58.100 0.075 0.000 1.148 109 Y CB -1.023 37.593 38.460 0.259 0.000 0.981 109 Y HN 0.157 nan 8.280 nan 0.000 0.507 110 L N -1.245 120.037 121.223 0.097 0.000 2.046 110 L HA -0.267 4.073 4.340 0.000 0.000 0.208 110 L C 2.459 179.326 176.870 -0.006 0.000 1.077 110 L CA 1.838 56.588 54.840 -0.150 0.000 0.747 110 L CB -0.686 40.795 42.059 -0.963 0.000 0.896 110 L HN 0.256 nan 8.230 nan 0.000 0.432 111 H N 0.296 119.332 119.070 -0.057 0.000 2.319 111 H HA -0.169 4.387 4.556 0.000 0.000 0.299 111 H C 2.178 177.547 175.328 0.069 0.000 1.092 111 H CA 1.918 58.005 56.048 0.065 0.000 1.302 111 H CB -0.060 29.755 29.762 0.089 0.000 1.373 111 H HN 0.156 nan 8.280 nan 0.000 0.497 112 I N -0.723 119.878 120.570 0.051 0.000 2.099 112 I HA -0.305 3.865 4.170 0.000 0.000 0.239 112 I C 1.879 178.039 176.117 0.072 0.000 1.066 112 I CA 1.386 62.664 61.300 -0.036 0.000 1.324 112 I CB -0.342 37.530 38.000 -0.212 0.000 1.037 112 I HN 0.197 nan 8.210 nan 0.000 0.401 113 F N 0.733 120.756 119.950 0.121 0.000 2.161 113 F HA -0.231 4.296 4.527 0.000 0.000 0.300 113 F C 2.634 178.602 175.800 0.280 0.000 1.089 113 F CA 1.327 59.429 58.000 0.170 0.000 1.282 113 F CB -0.653 38.365 39.000 0.030 0.000 1.010 113 F HN 0.027 nan 8.300 nan 0.000 0.485 114 R N 1.189 121.903 120.500 0.358 0.000 2.083 114 R HA -0.151 4.190 4.340 0.000 0.000 0.237 114 R C 2.395 178.877 176.300 0.302 0.000 1.137 114 R CA 1.834 58.113 56.100 0.298 0.000 0.951 114 R CB -1.481 28.876 30.300 0.096 0.000 0.851 114 R HN 0.376 nan 8.270 nan 0.000 0.434 115 G N 1.371 110.290 108.800 0.199 0.000 2.446 115 G HA2 -0.225 3.736 3.960 0.000 0.000 0.217 115 G HA3 -0.225 3.736 3.960 0.000 0.000 0.217 115 G C 1.839 176.942 174.900 0.338 0.000 1.168 115 G CA 0.854 46.099 45.100 0.242 0.000 0.771 115 G HN 0.330 nan 8.290 nan 0.000 0.551 116 L N -1.081 120.417 121.223 0.459 0.000 2.042 116 L HA -0.132 4.208 4.340 0.000 0.000 0.210 116 L C 2.612 179.783 176.870 0.502 0.000 1.076 116 L CA 1.499 56.686 54.840 0.578 0.000 0.749 116 L CB -0.474 41.918 42.059 0.556 0.000 0.893 116 L HN 0.331 nan 8.230 nan 0.000 0.432 117 Y N -0.740 119.645 120.300 0.143 0.000 2.314 117 Y HA -0.230 4.320 4.550 0.001 0.000 0.293 117 Y C 1.633 177.175 175.900 -0.598 0.000 1.129 117 Y CA 1.383 59.138 58.100 -0.575 0.000 1.201 117 Y CB 0.020 37.841 38.460 -1.064 0.000 0.999 117 Y HN 0.080 nan 8.280 nan 0.000 0.541 118 Y N -0.191 120.024 120.300 -0.142 0.000 2.524 118 Y HA 0.314 4.864 4.550 0.000 0.000 0.266 118 Y C 1.609 177.307 175.900 -0.335 0.000 1.180 118 Y CA 0.006 57.983 58.100 -0.206 0.000 1.244 118 Y CB 0.318 38.816 38.460 0.063 0.000 1.125 118 Y HN 0.164 nan 8.280 nan 0.000 0.524 119 G N -0.140 108.404 108.800 -0.427 0.000 2.258 119 G HA2 -0.353 3.607 3.960 0.000 0.000 0.274 119 G HA3 -0.353 3.607 3.960 0.000 0.000 0.274 119 G C 1.197 175.689 174.900 -0.680 0.000 1.021 119 G CA 0.777 45.385 45.100 -0.820 0.000 0.798 119 G HN 0.385 nan 8.290 nan 0.000 0.507 120 S N -0.914 114.551 115.700 -0.392 0.000 2.507 120 S HA -0.027 4.443 4.470 0.000 0.000 0.235 120 S C 1.788 176.286 174.600 -0.169 0.000 0.988 120 S CA 1.599 59.695 58.200 -0.173 0.000 0.944 120 S CB -0.286 62.895 63.200 -0.032 0.000 0.762 120 S HN 0.949 nan 8.310 nan 0.000 0.526 121 Y N 0.564 120.729 120.300 -0.225 0.000 2.510 121 Y HA 0.440 4.990 4.550 0.000 0.000 0.273 121 Y C 0.348 176.034 175.900 -0.357 0.000 1.119 121 Y CA -0.777 57.099 58.100 -0.374 0.000 1.286 121 Y CB -0.442 37.285 38.460 -1.220 0.000 1.061 121 Y HN -0.101 nan 8.280 nan 0.000 0.542 122 K N 2.192 122.181 120.400 -0.685 0.000 2.350 122 K HA 0.403 4.723 4.320 0.000 0.000 0.279 122 K C 0.536 176.980 176.600 -0.260 0.000 1.027 122 K CA 0.100 56.118 56.287 -0.448 0.000 0.969 122 K CB 0.764 32.961 32.500 -0.505 0.000 0.954 122 K HN 0.367 nan 8.250 nan 0.000 0.474 123 A N 4.763 127.456 122.820 -0.210 0.000 2.642 123 A HA -0.056 4.264 4.320 0.000 0.000 0.228 123 A C -1.180 176.345 177.584 -0.099 0.000 1.045 123 A CA -0.398 51.562 52.037 -0.129 0.000 0.760 123 A CB -0.259 18.678 19.000 -0.104 0.000 0.958 123 A HN 0.647 nan 8.150 nan 0.000 0.505 124 P HA 0.039 nan 4.420 nan 0.000 0.253 124 P C 0.315 177.607 177.300 -0.012 0.000 1.260 124 P CA 0.286 63.368 63.100 -0.030 0.000 0.800 124 P CB 0.121 31.814 31.700 -0.012 0.000 1.162 125 R N 0.531 121.018 120.500 -0.021 0.000 2.535 125 R HA 0.060 4.401 4.340 0.000 0.000 0.233 125 R C 1.040 177.388 176.300 0.080 0.000 1.202 125 R CA 0.130 56.249 56.100 0.032 0.000 1.205 125 R CB -0.319 29.997 30.300 0.027 0.000 1.153 125 R HN 0.251 nan 8.270 nan 0.000 0.512 126 E N 0.478 120.700 120.200 0.037 0.000 2.031 126 E HA -0.156 4.194 4.350 0.000 0.000 0.193 126 E C 1.910 178.639 176.600 0.216 0.000 0.994 126 E CA 1.318 57.759 56.400 0.068 0.000 0.800 126 E CB -0.075 29.625 29.700 -0.001 0.000 0.752 126 E HN 0.047 nan 8.360 nan 0.000 0.447 127 V N 1.161 121.177 119.914 0.170 0.000 2.282 127 V HA -0.335 3.786 4.120 0.000 0.000 0.249 127 V C 2.194 178.412 176.094 0.208 0.000 1.057 127 V CA 2.279 64.681 62.300 0.170 0.000 1.032 127 V CB -1.139 30.733 31.823 0.081 0.000 0.645 127 V HN 0.359 nan 8.190 nan 0.000 0.447 128 T N -0.729 113.950 114.554 0.209 0.000 2.570 128 T HA -0.330 4.020 4.350 0.000 0.000 0.266 128 T C 1.499 176.412 174.700 0.355 0.000 1.071 128 T CA 2.225 64.492 62.100 0.278 0.000 1.172 128 T CB -0.542 68.465 68.868 0.231 0.000 0.864 128 T HN 0.696 nan 8.240 nan 0.000 0.421 129 W N 1.670 123.073 121.300 0.172 0.000 2.302 129 W HA -0.233 4.427 4.660 0.000 0.000 0.320 129 W C 2.060 178.672 176.519 0.155 0.000 1.241 129 W CA 1.507 58.947 57.345 0.157 0.000 1.264 129 W CB -0.707 28.826 29.460 0.122 0.000 1.154 129 W HN 0.290 nan 8.180 nan 0.000 0.483 130 I N 0.231 120.965 120.570 0.275 0.000 2.127 130 I HA -0.376 3.794 4.170 0.000 0.000 0.241 130 I C 2.445 178.595 176.117 0.055 0.000 1.075 130 I CA 1.761 63.166 61.300 0.176 0.000 1.334 130 I CB -1.357 36.801 38.000 0.263 0.000 1.040 130 I HN -0.230 nan 8.210 nan 0.000 0.405 131 V N 1.234 121.210 119.914 0.105 0.000 2.252 131 V HA -0.307 3.813 4.120 0.000 0.000 0.249 131 V C 2.641 178.710 176.094 -0.042 0.000 1.056 131 V CA 2.403 64.749 62.300 0.078 0.000 1.022 131 V CB -1.615 30.313 31.823 0.174 0.000 0.641 131 V HN 0.632 nan 8.190 nan 0.000 0.445 132 G N -0.645 108.092 108.800 -0.106 0.000 2.505 132 G HA2 -0.327 3.633 3.960 0.000 0.000 0.220 132 G HA3 -0.327 3.633 3.960 0.000 0.000 0.220 132 G C 1.520 176.257 174.900 -0.273 0.000 1.145 132 G CA 1.415 46.316 45.100 -0.332 0.000 0.761 132 G HN 0.331 nan 8.290 nan 0.000 0.571 133 M N 0.169 119.591 119.600 -0.296 0.000 2.108 133 M HA 0.054 4.534 4.480 0.000 0.000 0.261 133 M C 2.716 178.999 176.300 -0.028 0.000 1.066 133 M CA 0.940 56.135 55.300 -0.174 0.000 1.107 133 M CB -1.249 31.260 32.600 -0.151 0.000 1.356 133 M HN 0.220 nan 8.290 nan 0.000 0.406 134 L N -0.428 120.775 121.223 -0.034 0.000 2.012 134 L HA -0.263 4.078 4.340 0.000 0.000 0.210 134 L C 2.437 179.290 176.870 -0.029 0.000 1.073 134 L CA 1.259 56.093 54.840 -0.010 0.000 0.748 134 L CB -0.689 41.373 42.059 0.005 0.000 0.891 134 L HN 0.226 nan 8.230 nan 0.000 0.431 135 I N -1.427 119.107 120.570 -0.061 0.000 2.118 135 I HA -0.390 3.781 4.170 0.000 0.000 0.241 135 I C 2.590 178.657 176.117 -0.083 0.000 1.070 135 I CA 1.640 62.888 61.300 -0.086 0.000 1.327 135 I CB -0.481 37.434 38.000 -0.143 0.000 1.034 135 I HN 0.209 nan 8.210 nan 0.000 0.405 136 Y N 1.503 121.692 120.300 -0.186 0.000 2.114 136 Y HA -0.299 4.252 4.550 0.000 0.000 0.282 136 Y C 2.332 178.180 175.900 -0.086 0.000 1.165 136 Y CA 1.605 59.611 58.100 -0.156 0.000 1.148 136 Y CB -0.557 37.822 38.460 -0.136 0.000 0.972 136 Y HN 0.039 nan 8.280 nan 0.000 0.504 137 L N -0.659 120.483 121.223 -0.135 0.000 1.955 137 L HA -0.302 4.038 4.340 0.000 0.000 0.213 137 L C 2.785 179.567 176.870 -0.147 0.000 1.072 137 L CA 1.562 56.303 54.840 -0.166 0.000 0.755 137 L CB -1.105 40.928 42.059 -0.043 0.000 0.888 137 L HN 0.341 nan 8.230 nan 0.000 0.432 138 A N -0.349 122.414 122.820 -0.094 0.000 1.884 138 A HA -0.330 3.990 4.320 0.000 0.000 0.219 138 A C 2.251 179.775 177.584 -0.100 0.000 1.197 138 A CA 2.448 54.443 52.037 -0.070 0.000 0.637 138 A CB -0.697 18.268 19.000 -0.058 0.000 0.827 138 A HN 0.420 nan 8.150 nan 0.000 0.450 139 M N -1.368 118.117 119.600 -0.192 0.000 2.163 139 M HA -0.290 4.190 4.480 0.000 0.000 0.258 139 M C 2.546 178.787 176.300 -0.099 0.000 1.071 139 M CA 2.448 57.572 55.300 -0.293 0.000 1.093 139 M CB -0.620 31.626 32.600 -0.590 0.000 1.285 139 M HN 0.476 nan 8.290 nan 0.000 0.420 140 M N -0.243 119.331 119.600 -0.043 0.000 2.082 140 M HA -0.248 4.233 4.480 0.000 0.000 0.258 140 M C 2.520 178.958 176.300 0.230 0.000 1.071 140 M CA 2.023 57.435 55.300 0.188 0.000 1.103 140 M CB -0.870 31.706 32.600 -0.040 0.000 1.307 140 M HN 0.475 nan 8.290 nan 0.000 0.409 141 A N 0.307 123.186 122.820 0.099 0.000 1.881 141 A HA -0.248 4.073 4.320 0.000 0.000 0.219 141 A C 2.178 179.887 177.584 0.209 0.000 1.215 141 A CA 2.804 54.935 52.037 0.158 0.000 0.648 141 A CB -1.494 17.549 19.000 0.072 0.000 0.832 141 A HN 0.545 nan 8.150 nan 0.000 0.455 142 T N 0.329 114.956 114.554 0.122 0.000 2.516 142 T HA -0.164 4.187 4.350 0.000 0.000 0.261 142 T C 2.205 177.042 174.700 0.228 0.000 1.130 142 T CA 2.625 64.818 62.100 0.155 0.000 1.193 142 T CB -0.943 67.963 68.868 0.063 0.000 0.864 142 T HN 0.852 nan 8.240 nan 0.000 0.410 143 A N 1.071 124.015 122.820 0.207 0.000 2.023 143 A HA -0.199 4.121 4.320 0.000 0.000 0.223 143 A C 2.008 179.774 177.584 0.303 0.000 1.180 143 A CA 2.316 54.482 52.037 0.214 0.000 0.659 143 A CB -1.076 18.028 19.000 0.173 0.000 0.817 143 A HN 0.577 nan 8.150 nan 0.000 0.466 144 F N -0.296 119.799 119.950 0.242 0.000 2.074 144 F HA -0.035 4.493 4.527 0.000 0.000 0.293 144 F C 2.178 178.073 175.800 0.157 0.000 1.116 144 F CA 1.880 60.043 58.000 0.271 0.000 1.212 144 F CB -0.646 38.483 39.000 0.215 0.000 0.998 144 F HN 0.165 nan 8.300 nan 0.000 0.471 145 M N 0.709 119.980 119.600 -0.549 0.000 2.149 145 M HA -0.106 4.374 4.480 0.000 0.000 0.261 145 M C 2.458 178.512 176.300 -0.410 0.000 1.064 145 M CA 1.795 56.686 55.300 -0.683 0.000 1.102 145 M CB -1.254 31.034 32.600 -0.521 0.000 1.369 145 M HN 0.406 nan 8.290 nan 0.000 0.408 146 G N -0.674 107.791 108.800 -0.559 0.000 2.514 146 G HA2 -0.302 3.659 3.960 0.000 0.000 0.217 146 G HA3 -0.302 3.659 3.960 0.000 0.000 0.217 146 G C 1.280 176.099 174.900 -0.136 0.000 1.198 146 G CA 0.883 45.533 45.100 -0.750 0.000 0.780 146 G HN 0.410 nan 8.290 nan 0.000 0.565 147 Y N 1.264 121.509 120.300 -0.092 0.000 2.298 147 Y HA -0.126 4.424 4.550 0.000 0.000 0.287 147 Y C 2.879 178.808 175.900 0.049 0.000 1.164 147 Y CA 0.976 59.093 58.100 0.029 0.000 1.229 147 Y CB -0.208 38.315 38.460 0.105 0.000 0.977 147 Y HN 0.057 nan 8.280 nan 0.000 0.538 148 V N -0.194 119.743 119.914 0.038 0.000 2.307 148 V HA -0.322 3.798 4.120 0.000 0.000 0.245 148 V C 2.461 178.680 176.094 0.207 0.000 1.045 148 V CA 1.722 64.080 62.300 0.096 0.000 1.024 148 V CB -0.877 31.061 31.823 0.191 0.000 0.651 148 V HN 0.372 nan 8.190 nan 0.000 0.449 149 L N 0.010 121.317 121.223 0.141 0.000 1.997 149 L HA -0.247 4.093 4.340 0.000 0.000 0.227 149 L C 0.118 177.203 176.870 0.360 0.000 1.087 149 L CA 2.270 57.221 54.840 0.185 0.000 0.797 149 L CB -2.390 39.568 42.059 -0.170 0.000 0.902 149 L HN 0.334 nan 8.230 nan 0.000 0.441 150 P HA -0.247 nan 4.420 nan 0.000 0.221 150 P C 0.172 177.781 177.300 0.515 0.000 1.141 150 P CA 0.980 64.299 63.100 0.364 0.000 0.794 150 P CB -0.153 31.668 31.700 0.202 0.000 0.764 151 W N -0.523 120.837 121.300 0.101 0.000 6.544 151 W HA -0.166 4.494 4.660 0.000 0.000 0.423 151 W C 0.009 176.468 176.519 -0.100 0.000 1.688 151 W CA 0.315 57.668 57.345 0.013 0.000 1.082 151 W CB -1.272 28.207 29.460 0.031 0.000 2.917 151 W HN -0.021 nan 8.180 nan 0.000 1.481 152 G N 0.892 109.599 108.800 -0.155 0.000 2.887 152 G HA2 0.293 4.254 3.960 0.000 0.000 0.277 152 G HA3 0.293 4.254 3.960 0.000 0.000 0.277 152 G C 0.434 175.127 174.900 -0.345 0.000 1.346 152 G CA -0.098 44.811 45.100 -0.319 0.000 1.058 152 G HN 0.189 nan 8.290 nan 0.000 0.535 153 Q N -0.725 118.934 119.800 -0.235 0.000 1.975 153 Q HA -0.122 4.218 4.340 0.000 0.000 0.205 153 Q C 2.777 178.760 176.000 -0.028 0.000 0.990 153 Q CA 1.301 57.049 55.803 -0.092 0.000 0.845 153 Q CB -0.379 28.365 28.738 0.011 0.000 0.913 153 Q HN 0.452 nan 8.270 nan 0.000 0.420 154 M N 0.545 120.094 119.600 -0.085 0.000 2.195 154 M HA -0.133 4.347 4.480 0.000 0.000 0.260 154 M C 2.165 178.427 176.300 -0.063 0.000 1.066 154 M CA 1.228 56.506 55.300 -0.036 0.000 1.089 154 M CB -1.241 31.359 32.600 -0.001 0.000 1.377 154 M HN 0.053 nan 8.290 nan 0.000 0.411 155 S N 0.484 116.021 115.700 -0.271 0.000 2.348 155 S HA -0.121 4.349 4.470 0.000 0.000 0.221 155 S C 1.664 176.154 174.600 -0.183 0.000 1.033 155 S CA 1.101 59.145 58.200 -0.260 0.000 1.010 155 S CB -0.488 62.551 63.200 -0.268 0.000 0.891 155 S HN 0.411 nan 8.310 nan 0.000 0.442 156 F N 1.212 120.793 119.950 -0.614 0.000 2.014 156 F HA -0.089 4.438 4.527 0.001 0.000 0.295 156 F C 1.952 177.412 175.800 -0.565 0.000 1.145 156 F CA 1.206 58.673 58.000 -0.888 0.000 1.178 156 F CB -0.997 37.237 39.000 -1.278 0.000 0.972 156 F HN 0.217 nan 8.300 nan 0.000 0.476 157 W N 0.651 121.877 121.300 -0.122 0.000 2.302 157 W HA -0.164 4.496 4.660 0.000 0.000 0.320 157 W C 2.744 179.203 176.519 -0.099 0.000 1.241 157 W CA 1.367 58.604 57.345 -0.179 0.000 1.264 157 W CB -1.356 28.067 29.460 -0.062 0.000 1.154 157 W HN 0.243 nan 8.180 nan 0.000 0.483 158 G N 0.347 109.268 108.800 0.201 0.000 2.513 158 G HA2 -0.324 3.636 3.960 0.000 0.000 0.219 158 G HA3 -0.324 3.636 3.960 0.000 0.000 0.219 158 G C 1.598 176.676 174.900 0.296 0.000 1.160 158 G CA 1.954 47.202 45.100 0.246 0.000 0.767 158 G HN 0.395 nan 8.290 nan 0.000 0.571 159 A N 0.008 122.993 122.820 0.275 0.000 1.877 159 A HA -0.005 4.315 4.320 0.000 0.000 0.216 159 A C 2.539 180.231 177.584 0.180 0.000 1.186 159 A CA 2.475 54.756 52.037 0.407 0.000 0.620 159 A CB -1.048 18.073 19.000 0.202 0.000 0.822 159 A HN 0.311 nan 8.150 nan 0.000 0.443 160 T N -0.253 114.237 114.554 -0.106 0.000 2.665 160 T HA -0.170 4.180 4.350 0.000 0.000 0.268 160 T C 1.853 176.589 174.700 0.060 0.000 1.035 160 T CA 1.819 63.843 62.100 -0.127 0.000 1.151 160 T CB -0.487 68.247 68.868 -0.224 0.000 0.862 160 T HN 0.154 nan 8.240 nan 0.000 0.438 161 V N 1.036 121.011 119.914 0.102 0.000 2.379 161 V HA -0.057 4.064 4.120 0.000 0.000 0.245 161 V C 2.347 178.484 176.094 0.072 0.000 1.044 161 V CA 1.342 63.698 62.300 0.094 0.000 1.036 161 V CB -0.479 31.397 31.823 0.089 0.000 0.664 161 V HN 0.499 nan 8.190 nan 0.000 0.453 162 I N 0.847 121.444 120.570 0.045 0.000 2.546 162 I HA -0.169 4.001 4.170 0.000 0.000 0.255 162 I C 2.570 178.802 176.117 0.193 0.000 1.163 162 I CA 1.722 62.984 61.300 -0.064 0.000 1.457 162 I CB -0.709 36.935 38.000 -0.593 0.000 1.092 162 I HN 0.485 nan 8.210 nan 0.000 0.434 163 T N -1.261 113.458 114.554 0.276 0.000 2.904 163 T HA -0.035 4.315 4.350 0.000 0.000 0.267 163 T C 2.049 176.963 174.700 0.358 0.000 1.059 163 T CA 0.961 63.278 62.100 0.361 0.000 1.137 163 T CB -0.960 68.072 68.868 0.273 0.000 0.879 163 T HN 0.409 nan 8.240 nan 0.000 0.467 164 G N 2.210 111.144 108.800 0.223 0.000 2.440 164 G HA2 -0.115 3.845 3.960 0.000 0.000 0.218 164 G HA3 -0.115 3.845 3.960 0.000 0.000 0.218 164 G C 1.500 176.490 174.900 0.149 0.000 1.154 164 G CA 0.833 46.032 45.100 0.166 0.000 0.767 164 G HN 0.527 nan 8.290 nan 0.000 0.552 165 L N -0.682 120.601 121.223 0.100 0.000 2.089 165 L HA -0.168 4.172 4.340 0.000 0.000 0.213 165 L C 2.674 179.462 176.870 -0.136 0.000 1.079 165 L CA 1.153 55.970 54.840 -0.039 0.000 0.758 165 L CB -0.556 41.411 42.059 -0.153 0.000 0.891 165 L HN 0.165 nan 8.230 nan 0.000 0.433 166 F N -0.221 119.814 119.950 0.141 0.000 2.325 166 F HA 0.001 4.528 4.527 0.000 0.000 0.299 166 F C 2.476 178.339 175.800 0.106 0.000 1.090 166 F CA 0.947 59.024 58.000 0.128 0.000 1.392 166 F CB -0.989 38.093 39.000 0.136 0.000 1.053 166 F HN -0.008 nan 8.300 nan 0.000 0.521 167 G N -0.393 108.543 108.800 0.226 0.000 2.559 167 G HA2 -0.066 3.894 3.960 0.000 0.000 0.216 167 G HA3 -0.066 3.894 3.960 0.000 0.000 0.216 167 G C 1.809 176.745 174.900 0.060 0.000 1.126 167 G CA 0.708 45.895 45.100 0.144 0.000 0.778 167 G HN 0.417 nan 8.290 nan 0.000 0.543 168 A N 0.310 123.166 122.820 0.061 0.000 2.016 168 A HA 0.305 4.625 4.320 0.000 0.000 0.217 168 A C 1.095 178.598 177.584 -0.134 0.000 1.162 168 A CA -0.036 52.031 52.037 0.050 0.000 0.662 168 A CB -0.147 18.968 19.000 0.191 0.000 0.812 168 A HN 0.290 nan 8.150 nan 0.000 0.450 169 I N 1.300 121.800 120.570 -0.118 0.000 2.752 169 I HA 0.053 4.224 4.170 0.000 0.000 0.289 169 I C -2.221 173.673 176.117 -0.371 0.000 1.197 169 I CA -1.107 60.005 61.300 -0.314 0.000 1.432 169 I CB 0.310 38.261 38.000 -0.082 0.000 1.359 169 I HN 0.075 nan 8.210 nan 0.000 0.571 170 P HA 0.191 nan 4.420 nan 0.000 0.271 170 P C 0.784 177.979 177.300 -0.175 0.000 1.218 170 P CA 0.594 63.489 63.100 -0.341 0.000 0.780 170 P CB 1.081 32.555 31.700 -0.376 0.000 0.901 171 G N 3.186 111.923 108.800 -0.105 0.000 4.610 171 G HA2 -0.398 3.562 3.960 0.000 0.000 0.323 171 G HA3 -0.398 3.562 3.960 0.000 0.000 0.323 171 G C 1.158 176.041 174.900 -0.028 0.000 1.377 171 G CA 0.553 45.618 45.100 -0.058 0.000 1.023 171 G HN 0.582 nan 8.290 nan 0.000 0.755 172 I N 0.207 120.755 120.570 -0.037 0.000 2.226 172 I HA 0.134 4.305 4.170 0.000 0.000 0.245 172 I C 2.781 178.914 176.117 0.026 0.000 1.100 172 I CA 2.275 63.564 61.300 -0.018 0.000 1.374 172 I CB -1.431 36.548 38.000 -0.036 0.000 1.057 172 I HN 0.854 nan 8.210 nan 0.000 0.413 173 G N 1.029 109.842 108.800 0.022 0.000 2.873 173 G HA2 -0.454 3.507 3.960 0.000 0.000 0.233 173 G HA3 -0.454 3.507 3.960 0.000 0.000 0.233 173 G C 1.605 176.607 174.900 0.170 0.000 1.124 173 G CA 2.011 47.157 45.100 0.077 0.000 0.747 173 G HN 0.751 nan 8.290 nan 0.000 0.644 174 H N -0.031 119.060 119.070 0.035 0.000 2.357 174 H HA -0.038 4.519 4.556 0.000 0.000 0.301 174 H C 2.975 178.347 175.328 0.072 0.000 1.082 174 H CA 1.062 57.143 56.048 0.055 0.000 1.342 174 H CB 0.170 29.952 29.762 0.034 0.000 1.389 174 H HN 0.436 nan 8.280 nan 0.000 0.511 175 S N 0.866 116.618 115.700 0.087 0.000 2.365 175 S HA -0.201 4.269 4.470 0.000 0.000 0.221 175 S C 2.203 176.853 174.600 0.083 0.000 1.037 175 S CA 1.505 59.706 58.200 0.001 0.000 1.060 175 S CB -0.389 62.791 63.200 -0.033 0.000 0.974 175 S HN 0.367 nan 8.310 nan 0.000 0.427 176 I N 1.458 122.082 120.570 0.090 0.000 2.236 176 I HA -0.339 3.832 4.170 0.000 0.000 0.249 176 I C 2.815 179.109 176.117 0.296 0.000 1.102 176 I CA 1.702 63.093 61.300 0.152 0.000 1.365 176 I CB -0.462 37.636 38.000 0.162 0.000 1.051 176 I HN 0.460 nan 8.210 nan 0.000 0.420 177 Q N 0.511 120.479 119.800 0.281 0.000 2.020 177 Q HA -0.171 4.170 4.340 0.000 0.000 0.198 177 Q C 2.148 178.295 176.000 0.244 0.000 0.974 177 Q CA 2.260 58.236 55.803 0.288 0.000 0.829 177 Q CB -0.020 28.898 28.738 0.299 0.000 0.894 177 Q HN 0.388 nan 8.270 nan 0.000 0.433 178 T N 0.358 115.038 114.554 0.210 0.000 2.699 178 T HA -0.231 4.119 4.350 0.000 0.000 0.268 178 T C 0.908 175.716 174.700 0.181 0.000 1.036 178 T CA 1.515 63.699 62.100 0.140 0.000 1.147 178 T CB -0.573 68.311 68.868 0.027 0.000 0.862 178 T HN 0.534 nan 8.240 nan 0.000 0.446 179 W N 1.778 123.085 121.300 0.012 0.000 2.332 179 W HA -0.110 4.550 4.660 0.001 0.000 0.321 179 W C 1.877 178.411 176.519 0.024 0.000 1.219 179 W CA 0.991 58.341 57.345 0.008 0.000 1.277 179 W CB -0.753 28.707 29.460 0.001 0.000 1.161 179 W HN 0.143 nan 8.180 nan 0.000 0.476 180 L N 0.135 121.440 121.223 0.137 0.000 2.013 180 L HA -0.276 4.064 4.340 0.000 0.000 0.212 180 L C 2.469 179.315 176.870 -0.041 0.000 1.073 180 L CA 1.633 56.437 54.840 -0.061 0.000 0.753 180 L CB -1.151 40.958 42.059 0.083 0.000 0.890 180 L HN 0.116 nan 8.230 nan 0.000 0.432 181 L N -0.596 120.640 121.223 0.022 0.000 2.291 181 L HA -0.010 4.330 4.340 0.000 0.000 0.214 181 L C 1.645 178.478 176.870 -0.061 0.000 1.120 181 L CA 0.692 55.520 54.840 -0.020 0.000 0.799 181 L CB -0.712 41.367 42.059 0.033 0.000 0.925 181 L HN 0.536 nan 8.230 nan 0.000 0.446 182 G N -0.095 108.670 108.800 -0.059 0.000 2.168 182 G HA2 -0.160 3.800 3.960 0.000 0.000 0.257 182 G HA3 -0.160 3.800 3.960 0.000 0.000 0.257 182 G C 0.428 175.315 174.900 -0.022 0.000 0.997 182 G CA 0.230 45.293 45.100 -0.063 0.000 0.708 182 G HN 0.739 nan 8.290 nan 0.000 0.520 183 G N -1.814 106.989 108.800 0.005 0.000 2.340 183 G HA2 0.703 4.663 3.960 0.000 0.000 0.299 183 G HA3 0.703 4.663 3.960 0.000 0.000 0.299 183 G C -1.640 173.286 174.900 0.043 0.000 1.291 183 G CA 0.376 45.487 45.100 0.018 0.000 0.841 183 G HN 0.247 nan 8.290 nan 0.000 0.500 184 P HA 0.239 nan 4.420 nan 0.000 0.223 184 P C 0.612 177.959 177.300 0.079 0.000 1.151 184 P CA 1.725 64.870 63.100 0.076 0.000 0.787 184 P CB 0.541 32.280 31.700 0.066 0.000 0.788 185 A N -0.911 121.944 122.820 0.060 0.000 2.569 185 A HA 0.491 4.811 4.320 0.000 0.000 0.290 185 A C -0.976 176.628 177.584 0.032 0.000 1.136 185 A CA -0.604 51.464 52.037 0.052 0.000 0.710 185 A CB 1.226 20.272 19.000 0.077 0.000 1.303 185 A HN -0.183 nan 8.150 nan 0.000 0.413 186 V N 2.181 122.081 119.914 -0.023 0.000 2.450 186 V HA 0.309 4.429 4.120 0.000 0.000 0.281 186 V C 0.001 176.224 176.094 0.216 0.000 1.019 186 V CA 0.998 63.284 62.300 -0.024 0.000 1.062 186 V CB 0.353 31.979 31.823 -0.328 0.000 0.979 186 V HN 0.964 nan 8.190 nan 0.000 0.477 187 D N 3.326 123.829 120.400 0.172 0.000 3.076 187 D HA 0.217 4.857 4.640 0.000 0.000 0.301 187 D C 0.961 177.245 176.300 -0.027 0.000 1.260 187 D CA -0.579 53.522 54.000 0.168 0.000 1.027 187 D CB 1.046 41.875 40.800 0.048 0.000 1.370 187 D HN 0.250 nan 8.370 nan 0.000 0.602 188 N N -0.311 118.271 118.700 -0.196 0.000 2.039 188 N HA -0.112 4.628 4.740 0.000 0.000 0.193 188 N C 1.626 176.959 175.510 -0.295 0.000 1.044 188 N CA 2.570 55.381 53.050 -0.399 0.000 0.847 188 N CB -0.391 37.822 38.487 -0.456 0.000 1.030 188 N HN 0.366 nan 8.380 nan 0.000 0.422 189 A N -0.710 121.992 122.820 -0.196 0.000 1.971 189 A HA -0.266 4.054 4.320 0.000 0.000 0.222 189 A C 2.208 179.679 177.584 -0.189 0.000 1.182 189 A CA 2.584 54.529 52.037 -0.154 0.000 0.649 189 A CB -1.448 17.487 19.000 -0.109 0.000 0.818 189 A HN 0.545 nan 8.150 nan 0.000 0.458 190 T N -0.277 114.134 114.554 -0.238 0.000 2.732 190 T HA -0.092 4.258 4.350 0.000 0.000 0.261 190 T C 1.831 176.201 174.700 -0.551 0.000 1.040 190 T CA 1.249 63.098 62.100 -0.417 0.000 1.145 190 T CB -0.533 68.087 68.868 -0.414 0.000 0.866 190 T HN 0.328 nan 8.240 nan 0.000 0.427 191 L N 2.110 123.086 121.223 -0.412 0.000 1.997 191 L HA -0.164 4.176 4.340 0.000 0.000 0.216 191 L C 2.041 178.847 176.870 -0.107 0.000 1.074 191 L CA 1.947 56.596 54.840 -0.319 0.000 0.763 191 L CB -1.318 40.367 42.059 -0.623 0.000 0.890 191 L HN 0.258 nan 8.230 nan 0.000 0.434 192 N N -0.779 117.841 118.700 -0.133 0.000 2.061 192 N HA -0.279 4.461 4.740 0.000 0.000 0.193 192 N C 1.945 177.533 175.510 0.130 0.000 1.030 192 N CA 1.978 55.032 53.050 0.006 0.000 0.856 192 N CB -0.168 38.288 38.487 -0.051 0.000 1.023 192 N HN 0.528 nan 8.380 nan 0.000 0.424 193 R N -0.833 119.708 120.500 0.068 0.000 2.148 193 R HA -0.068 4.272 4.340 0.000 0.000 0.227 193 R C 1.312 177.804 176.300 0.320 0.000 1.103 193 R CA 0.963 57.145 56.100 0.137 0.000 0.983 193 R CB -0.532 29.796 30.300 0.046 0.000 0.874 193 R HN 0.187 nan 8.270 nan 0.000 0.451 194 F N 0.801 120.778 119.950 0.045 0.000 2.206 194 F HA -0.012 4.515 4.527 0.000 0.000 0.298 194 F C 2.040 177.921 175.800 0.134 0.000 1.090 194 F CA -0.126 57.899 58.000 0.042 0.000 1.323 194 F CB -0.856 38.138 39.000 -0.010 0.000 1.028 194 F HN -0.069 nan 8.300 nan 0.000 0.492 195 F N 0.385 120.485 119.950 0.249 0.000 2.075 195 F HA -0.222 4.305 4.527 0.000 0.000 0.297 195 F C 2.787 178.725 175.800 0.231 0.000 1.113 195 F CA 1.792 59.924 58.000 0.220 0.000 1.218 195 F CB -0.995 38.138 39.000 0.223 0.000 0.984 195 F HN -0.074 nan 8.300 nan 0.000 0.472 196 S N 0.102 115.903 115.700 0.169 0.000 2.383 196 S HA -0.182 4.288 4.470 0.000 0.000 0.229 196 S C 2.096 176.711 174.600 0.025 0.000 1.030 196 S CA 1.744 59.964 58.200 0.034 0.000 1.002 196 S CB -0.507 62.745 63.200 0.086 0.000 0.829 196 S HN 0.444 nan 8.310 nan 0.000 0.467 197 L N -0.148 121.112 121.223 0.062 0.000 2.162 197 L HA 0.056 4.396 4.340 0.000 0.000 0.205 197 L C 2.505 179.390 176.870 0.024 0.000 1.086 197 L CA 1.298 56.158 54.840 0.033 0.000 0.778 197 L CB -0.673 41.386 42.059 0.000 0.000 0.928 197 L HN 0.376 nan 8.230 nan 0.000 0.446 198 H N -0.692 118.330 119.070 -0.080 0.000 2.422 198 H HA -0.250 4.306 4.556 0.000 0.000 0.298 198 H C 2.006 177.235 175.328 -0.165 0.000 1.098 198 H CA 1.736 57.714 56.048 -0.116 0.000 1.315 198 H CB -0.078 29.626 29.762 -0.097 0.000 1.382 198 H HN 0.252 nan 8.280 nan 0.000 0.523 199 Y N -0.114 119.994 120.300 -0.321 0.000 2.092 199 Y HA -0.155 4.395 4.550 0.000 0.000 0.282 199 Y C 2.456 178.233 175.900 -0.205 0.000 1.126 199 Y CA 1.575 59.467 58.100 -0.347 0.000 1.111 199 Y CB -0.959 37.296 38.460 -0.341 0.000 0.987 199 Y HN 0.322 nan 8.280 nan 0.000 0.489 200 L N 0.305 121.652 121.223 0.207 0.000 1.978 200 L HA -0.275 4.065 4.340 0.000 0.000 0.218 200 L C 2.310 179.250 176.870 0.117 0.000 1.075 200 L CA 1.863 56.837 54.840 0.223 0.000 0.767 200 L CB -1.358 40.773 42.059 0.121 0.000 0.890 200 L HN 0.394 nan 8.230 nan 0.000 0.434 201 L N -0.592 120.632 121.223 0.000 0.000 2.010 201 L HA -0.267 4.074 4.340 0.000 0.000 0.219 201 L C 0.117 176.932 176.870 -0.091 0.000 1.077 201 L CA 2.229 57.049 54.840 -0.033 0.000 0.773 201 L CB -2.029 40.002 42.059 -0.047 0.000 0.892 201 L HN 0.272 nan 8.230 nan 0.000 0.436 202 P HA -0.213 nan 4.420 nan 0.000 0.217 202 P C 1.426 178.556 177.300 -0.284 0.000 1.151 202 P CA 1.631 64.539 63.100 -0.321 0.000 0.849 202 P CB -0.065 31.314 31.700 -0.535 0.000 0.787 203 F N -1.161 118.770 119.950 -0.031 0.000 2.146 203 F HA -0.146 4.382 4.527 0.000 0.000 0.298 203 F C 2.352 178.151 175.800 -0.002 0.000 1.096 203 F CA 0.959 58.954 58.000 -0.009 0.000 1.275 203 F CB -1.656 37.350 39.000 0.010 0.000 1.008 203 F HN -0.253 nan 8.300 nan 0.000 0.480 204 V N 0.587 120.599 119.914 0.164 0.000 2.287 204 V HA -0.314 3.806 4.120 0.000 0.000 0.248 204 V C 2.403 178.534 176.094 0.062 0.000 1.053 204 V CA 1.757 64.116 62.300 0.099 0.000 1.027 204 V CB -0.701 31.162 31.823 0.066 0.000 0.646 204 V HN 0.281 nan 8.190 nan 0.000 0.447 205 I N 0.544 121.128 120.570 0.023 0.000 2.091 205 I HA -0.323 3.848 4.170 0.000 0.000 0.239 205 I C 2.813 178.953 176.117 0.039 0.000 1.061 205 I CA 1.794 63.100 61.300 0.009 0.000 1.317 205 I CB -0.906 37.084 38.000 -0.018 0.000 1.031 205 I HN 0.329 nan 8.210 nan 0.000 0.401 206 A N 1.000 123.843 122.820 0.039 0.000 1.896 206 A HA -0.341 3.979 4.320 0.000 0.000 0.220 206 A C 2.550 180.185 177.584 0.084 0.000 1.206 206 A CA 2.808 54.882 52.037 0.062 0.000 0.647 206 A CB -1.145 17.907 19.000 0.086 0.000 0.828 206 A HN 0.529 nan 8.150 nan 0.000 0.455 207 A N -0.517 122.360 122.820 0.095 0.000 1.865 207 A HA -0.110 4.211 4.320 0.000 0.000 0.217 207 A C 2.232 179.875 177.584 0.099 0.000 1.191 207 A CA 1.709 53.800 52.037 0.090 0.000 0.623 207 A CB -0.729 18.323 19.000 0.087 0.000 0.826 207 A HN 0.524 nan 8.150 nan 0.000 0.444 208 L N -0.389 120.888 121.223 0.090 0.000 2.012 208 L HA -0.195 4.146 4.340 0.000 0.000 0.210 208 L C 2.534 179.488 176.870 0.139 0.000 1.073 208 L CA 1.413 56.313 54.840 0.100 0.000 0.748 208 L CB -0.843 41.251 42.059 0.057 0.000 0.891 208 L HN 0.266 nan 8.230 nan 0.000 0.431 209 V N 0.339 120.326 119.914 0.121 0.000 2.370 209 V HA -0.374 3.746 4.120 0.000 0.000 0.252 209 V C 2.769 178.997 176.094 0.222 0.000 1.068 209 V CA 1.870 64.278 62.300 0.181 0.000 1.061 209 V CB -1.232 30.674 31.823 0.139 0.000 0.656 209 V HN 0.521 nan 8.190 nan 0.000 0.455 210 A N 0.480 123.393 122.820 0.155 0.000 1.834 210 A HA -0.223 4.098 4.320 0.000 0.000 0.216 210 A C 2.165 179.865 177.584 0.194 0.000 1.203 210 A CA 2.291 54.404 52.037 0.127 0.000 0.621 210 A CB -0.697 18.352 19.000 0.081 0.000 0.841 210 A HN 0.473 nan 8.150 nan 0.000 0.446 211 I N -1.125 119.591 120.570 0.243 0.000 2.185 211 I HA -0.362 3.809 4.170 0.000 0.000 0.246 211 I C 2.536 178.822 176.117 0.281 0.000 1.088 211 I CA 2.122 63.618 61.300 0.327 0.000 1.347 211 I CB -0.724 37.435 38.000 0.265 0.000 1.041 211 I HN 0.602 nan 8.210 nan 0.000 0.415 212 H N 1.478 120.650 119.070 0.170 0.000 2.289 212 H HA -0.201 4.355 4.556 0.000 0.000 0.294 212 H C 2.118 177.577 175.328 0.218 0.000 1.095 212 H CA 2.229 58.407 56.048 0.217 0.000 1.256 212 H CB -0.281 29.626 29.762 0.243 0.000 1.359 212 H HN 0.258 nan 8.280 nan 0.000 0.487 213 I N -1.188 119.452 120.570 0.117 0.000 2.179 213 I HA -0.281 3.889 4.170 0.000 0.000 0.242 213 I C 2.288 178.108 176.117 -0.494 0.000 1.088 213 I CA 1.179 62.185 61.300 -0.489 0.000 1.357 213 I CB -0.542 37.358 38.000 -0.166 0.000 1.051 213 I HN 0.401 nan 8.210 nan 0.000 0.409 214 W N 2.356 123.484 121.300 -0.286 0.000 2.321 214 W HA -0.277 4.383 4.660 0.001 0.000 0.306 214 W C 2.536 178.973 176.519 -0.136 0.000 1.217 214 W CA 1.820 59.049 57.345 -0.193 0.000 1.257 214 W CB -0.614 28.791 29.460 -0.092 0.000 1.145 214 W HN 0.141 nan 8.180 nan 0.000 0.509 215 A N 0.360 123.132 122.820 -0.081 0.000 1.873 215 A HA -0.141 4.179 4.320 0.000 0.000 0.215 215 A C 1.951 179.518 177.584 -0.028 0.000 1.186 215 A CA 1.737 53.683 52.037 -0.152 0.000 0.616 215 A CB -1.718 17.253 19.000 -0.049 0.000 0.823 215 A HN 0.521 nan 8.150 nan 0.000 0.442 216 F N -2.129 117.813 119.950 -0.013 0.000 2.748 216 F HA 0.110 4.637 4.527 0.000 0.000 0.299 216 F C 1.730 177.505 175.800 -0.043 0.000 1.154 216 F CA 0.920 58.891 58.000 -0.049 0.000 1.446 216 F CB -0.758 38.172 39.000 -0.118 0.000 1.112 216 F HN 0.313 nan 8.300 nan 0.000 0.584 217 H N -0.226 118.691 119.070 -0.256 0.000 2.497 217 H HA 0.137 4.693 4.556 0.000 0.000 0.282 217 H C 1.594 176.930 175.328 0.013 0.000 1.003 217 H CA 1.206 57.175 56.048 -0.131 0.000 1.307 217 H CB 0.332 29.969 29.762 -0.208 0.000 1.437 217 H HN 0.318 nan 8.280 nan 0.000 0.544 218 S N -0.305 115.450 115.700 0.093 0.000 2.527 218 S HA -0.061 4.409 4.470 0.000 0.000 0.222 218 S C 1.864 176.491 174.600 0.045 0.000 0.985 218 S CA 1.151 59.390 58.200 0.064 0.000 0.921 218 S CB 0.109 63.275 63.200 -0.056 0.000 0.772 218 S HN 0.612 nan 8.310 nan 0.000 0.529 219 T N -1.900 112.683 114.554 0.048 0.000 3.004 219 T HA 0.521 4.871 4.350 0.000 0.000 0.266 219 T C 0.819 175.547 174.700 0.046 0.000 0.986 219 T CA 0.321 62.446 62.100 0.042 0.000 0.902 219 T CB 0.419 69.310 68.868 0.038 0.000 1.118 219 T HN 0.539 nan 8.240 nan 0.000 0.522 220 G N 1.833 110.664 108.800 0.050 0.000 2.716 220 G HA2 -0.133 3.827 3.960 0.000 0.000 0.686 220 G HA3 -0.133 3.827 3.960 0.000 0.000 0.686 220 G C -0.933 173.996 174.900 0.047 0.000 1.337 220 G CA -0.824 44.294 45.100 0.030 0.000 0.829 220 G HN 0.507 nan 8.290 nan 0.000 0.599 221 N N 0.242 118.954 118.700 0.021 0.000 2.467 221 N HA 0.298 5.038 4.740 0.000 0.000 0.262 221 N C 0.388 175.920 175.510 0.038 0.000 1.234 221 N CA -0.254 52.810 53.050 0.023 0.000 0.952 221 N CB 1.001 39.467 38.487 -0.035 0.000 1.158 221 N HN 0.708 nan 8.380 nan 0.000 0.463 222 N N -0.090 118.678 118.700 0.113 0.000 2.492 222 N HA 0.189 4.929 4.740 0.000 0.000 0.289 222 N C -1.121 174.487 175.510 0.164 0.000 1.133 222 N CA -0.525 52.602 53.050 0.129 0.000 0.961 222 N CB 0.836 39.405 38.487 0.137 0.000 1.186 222 N HN 0.652 nan 8.380 nan 0.000 0.493 223 N N 0.092 118.806 118.700 0.025 0.000 2.545 223 N HA 0.532 5.273 4.740 0.000 0.000 0.289 223 N C -2.445 173.006 175.510 -0.099 0.000 1.279 223 N CA -1.546 51.360 53.050 -0.241 0.000 0.824 223 N CB 1.763 40.106 38.487 -0.240 0.000 1.395 223 N HN 0.192 nan 8.380 nan 0.000 0.526 224 P HA -0.136 nan 4.420 nan 0.000 0.223 224 P C 0.769 178.199 177.300 0.216 0.000 1.144 224 P CA 1.361 64.488 63.100 0.045 0.000 0.783 224 P CB -0.017 31.678 31.700 -0.008 0.000 0.771 225 T N -6.282 108.353 114.554 0.134 0.000 3.044 225 T HA 0.294 4.644 4.350 0.000 0.000 0.250 225 T C 1.687 176.524 174.700 0.229 0.000 1.081 225 T CA 0.615 62.861 62.100 0.244 0.000 1.040 225 T CB -0.702 68.302 68.868 0.226 0.000 0.962 225 T HN 0.179 nan 8.240 nan 0.000 0.506 226 G N 0.965 109.842 108.800 0.128 0.000 2.189 226 G HA2 -0.253 3.707 3.960 0.000 0.000 0.267 226 G HA3 -0.253 3.707 3.960 0.000 0.000 0.267 226 G C 0.118 175.046 174.900 0.046 0.000 0.975 226 G CA 0.234 45.377 45.100 0.072 0.000 0.644 226 G HN 0.756 nan 8.290 nan 0.000 0.537 227 V N 1.974 121.923 119.914 0.058 0.000 2.461 227 V HA 0.413 4.534 4.120 0.000 0.000 0.275 227 V C 0.872 176.969 176.094 0.005 0.000 1.047 227 V CA -0.938 61.377 62.300 0.025 0.000 0.955 227 V CB 1.539 33.377 31.823 0.025 0.000 0.988 227 V HN 0.303 nan 8.190 nan 0.000 0.471 228 E N 2.608 122.806 120.200 -0.004 0.000 2.435 228 E HA 0.194 4.545 4.350 0.000 0.000 0.256 228 E C -0.191 176.403 176.600 -0.010 0.000 1.245 228 E CA -0.179 56.217 56.400 -0.007 0.000 0.989 228 E CB 0.758 30.454 29.700 -0.007 0.000 0.983 228 E HN 0.389 nan 8.360 nan 0.000 0.480 229 V N 1.412 121.320 119.914 -0.009 0.000 2.644 229 V HA 0.185 4.305 4.120 0.000 0.000 0.295 229 V C 0.772 176.862 176.094 -0.007 0.000 1.053 229 V CA -0.390 61.903 62.300 -0.011 0.000 0.987 229 V CB 0.990 32.808 31.823 -0.008 0.000 1.006 229 V HN 0.437 nan 8.190 nan 0.000 0.472 230 R N 3.667 124.162 120.500 -0.009 0.000 2.404 230 R HA 0.179 4.519 4.340 0.000 0.000 0.315 230 R C 0.456 176.753 176.300 -0.005 0.000 1.032 230 R CA -0.306 55.790 56.100 -0.007 0.000 0.992 230 R CB 0.404 30.699 30.300 -0.008 0.000 0.959 230 R HN 0.490 nan 8.270 nan 0.000 0.428 231 R N 1.619 122.116 120.500 -0.005 0.000 2.388 231 R HA 0.008 4.348 4.340 0.000 0.000 0.247 231 R C 1.160 177.453 176.300 -0.012 0.000 0.931 231 R CA 0.318 56.414 56.100 -0.006 0.000 1.082 231 R CB 0.027 30.326 30.300 -0.003 0.000 1.135 231 R HN 0.663 nan 8.270 nan 0.000 0.525 232 T N -2.192 112.355 114.554 -0.010 0.000 2.978 232 T HA 0.016 4.366 4.350 0.000 0.000 0.262 232 T C 1.022 175.714 174.700 -0.014 0.000 1.063 232 T CA 0.403 62.497 62.100 -0.011 0.000 1.140 232 T CB 0.122 68.985 68.868 -0.009 0.000 0.886 232 T HN 0.189 nan 8.240 nan 0.000 0.470 233 S N -0.514 115.178 115.700 -0.012 0.000 2.533 233 S HA 0.454 4.925 4.470 0.000 0.000 0.271 233 S C 0.184 174.779 174.600 -0.008 0.000 1.143 233 S CA -1.083 57.110 58.200 -0.012 0.000 0.891 233 S CB 2.147 65.343 63.200 -0.007 0.000 1.105 233 S HN 0.092 nan 8.310 nan 0.000 0.468 234 K N 1.263 121.657 120.400 -0.009 0.000 2.218 234 K HA -0.160 4.160 4.320 0.000 0.000 0.205 234 K C 2.201 178.807 176.600 0.011 0.000 1.046 234 K CA 1.572 57.861 56.287 0.003 0.000 0.933 234 K CB -0.563 31.942 32.500 0.008 0.000 0.728 234 K HN 0.717 nan 8.250 nan 0.000 0.454 235 A N 2.492 125.316 122.820 0.007 0.000 1.828 235 A HA -0.238 4.082 4.320 0.000 0.000 0.215 235 A C 2.099 179.685 177.584 0.005 0.000 1.203 235 A CA 1.905 53.946 52.037 0.008 0.000 0.614 235 A CB -0.559 18.444 19.000 0.005 0.000 0.844 235 A HN 0.515 nan 8.150 nan 0.000 0.445 236 E N -0.152 120.049 120.200 0.001 0.000 2.208 236 E HA 0.053 4.403 4.350 0.000 0.000 0.193 236 E C 1.996 178.593 176.600 -0.006 0.000 0.988 236 E CA 0.903 57.301 56.400 -0.002 0.000 0.828 236 E CB -0.405 29.293 29.700 -0.003 0.000 0.763 236 E HN 0.473 nan 8.360 nan 0.000 0.478 237 A N 1.994 124.812 122.820 -0.003 0.000 1.883 237 A HA -0.259 4.061 4.320 0.000 0.000 0.217 237 A C 2.223 179.802 177.584 -0.007 0.000 1.186 237 A CA 1.770 53.806 52.037 -0.002 0.000 0.624 237 A CB -0.628 18.377 19.000 0.008 0.000 0.822 237 A HN 0.294 nan 8.150 nan 0.000 0.444 238 Q N -0.529 119.271 119.800 0.000 0.000 2.234 238 Q HA -0.192 4.149 4.340 0.000 0.000 0.206 238 Q C 1.887 177.864 176.000 -0.037 0.000 0.980 238 Q CA 1.663 57.461 55.803 -0.008 0.000 0.869 238 Q CB -0.183 28.561 28.738 0.010 0.000 0.912 238 Q HN 0.681 nan 8.270 nan 0.000 0.436 239 K N 0.200 120.584 120.400 -0.027 0.000 2.217 239 K HA -0.084 4.236 4.320 0.000 0.000 0.202 239 K C 1.278 177.844 176.600 -0.058 0.000 1.051 239 K CA 0.952 57.223 56.287 -0.027 0.000 0.952 239 K CB 0.252 32.749 32.500 -0.004 0.000 0.736 239 K HN 0.115 nan 8.250 nan 0.000 0.453 240 D N 0.184 120.545 120.400 -0.065 0.000 2.271 240 D HA -0.039 4.601 4.640 0.000 0.000 0.206 240 D C 1.078 177.284 176.300 -0.157 0.000 0.967 240 D CA 0.937 54.882 54.000 -0.092 0.000 0.867 240 D CB 0.413 41.181 40.800 -0.053 0.000 0.960 240 D HN 0.306 nan 8.370 nan 0.000 0.509 241 T N -1.944 112.531 114.554 -0.131 0.000 2.762 241 T HA 0.630 4.981 4.350 0.000 0.000 0.272 241 T C -0.312 174.280 174.700 -0.180 0.000 0.982 241 T CA -0.723 61.298 62.100 -0.130 0.000 1.013 241 T CB 2.011 70.867 68.868 -0.020 0.000 1.309 241 T HN -0.100 nan 8.240 nan 0.000 0.572 242 V N -2.538 117.295 119.914 -0.136 0.000 3.120 242 V HA 0.816 4.936 4.120 0.000 0.000 0.303 242 V C -3.209 172.917 176.094 0.053 0.000 1.238 242 V CA -2.585 59.593 62.300 -0.203 0.000 1.008 242 V CB 1.875 33.310 31.823 -0.646 0.000 1.064 242 V HN 0.969 nan 8.190 nan 0.000 0.434 243 P HA 0.137 nan 4.420 nan 0.000 0.271 243 P C 0.547 178.083 177.300 0.393 0.000 1.216 243 P CA 0.073 63.350 63.100 0.294 0.000 0.776 243 P CB 0.875 32.748 31.700 0.288 0.000 0.881 244 F N 3.846 123.977 119.950 0.302 0.000 2.063 244 F HA -0.117 4.411 4.527 0.001 0.000 0.298 244 F C 0.950 176.945 175.800 0.325 0.000 1.109 244 F CA 1.163 59.411 58.000 0.414 0.000 1.212 244 F CB -0.419 38.793 39.000 0.352 0.000 0.973 244 F HN 0.364 nan 8.300 nan 0.000 0.480 245 W N 3.553 124.906 121.300 0.089 0.000 2.316 245 W HA 0.254 4.914 4.660 0.000 0.000 0.311 245 W C -2.187 174.264 176.519 -0.115 0.000 1.217 245 W CA -1.991 55.306 57.345 -0.079 0.000 1.199 245 W CB 0.949 30.410 29.460 0.002 0.000 1.202 245 W HN 0.007 nan 8.180 nan 0.000 0.528 246 P HA -0.047 nan 4.420 nan 0.000 0.264 246 P C 0.862 177.618 177.300 -0.907 0.000 1.259 246 P CA 0.524 62.621 63.100 -1.671 0.000 0.841 246 P CB 0.338 30.759 31.700 -2.131 0.000 1.232 247 Y N 0.234 120.196 120.300 -0.564 0.000 1.997 247 Y HA -0.254 4.296 4.550 0.000 0.000 0.265 247 Y C 2.275 177.864 175.900 -0.518 0.000 1.193 247 Y CA 1.949 59.727 58.100 -0.537 0.000 1.106 247 Y CB -1.787 36.296 38.460 -0.629 0.000 0.940 247 Y HN -0.125 nan 8.280 nan 0.000 0.494 248 F N -1.549 118.294 119.950 -0.178 0.000 2.179 248 F HA -0.099 4.428 4.527 0.000 0.000 0.292 248 F C 2.379 177.975 175.800 -0.341 0.000 1.089 248 F CA 0.313 58.180 58.000 -0.222 0.000 1.295 248 F CB -0.960 37.934 39.000 -0.178 0.000 1.041 248 F HN -0.056 nan 8.300 nan 0.000 0.487 249 I N 0.336 120.620 120.570 -0.478 0.000 2.227 249 I HA -0.361 3.809 4.170 0.000 0.000 0.250 249 I C 2.348 178.439 176.117 -0.045 0.000 1.087 249 I CA 1.837 63.002 61.300 -0.225 0.000 1.352 249 I CB -0.951 37.018 38.000 -0.053 0.000 1.043 249 I HN 0.186 nan 8.210 nan 0.000 0.425 250 I N 0.727 121.233 120.570 -0.107 0.000 2.235 250 I HA -0.282 3.888 4.170 0.000 0.000 0.241 250 I C 2.615 178.809 176.117 0.128 0.000 1.085 250 I CA 1.042 62.328 61.300 -0.025 0.000 1.378 250 I CB -0.335 37.587 38.000 -0.130 0.000 1.076 250 I HN 0.268 nan 8.210 nan 0.000 0.415 251 K N 0.597 121.114 120.400 0.196 0.000 2.103 251 K HA -0.227 4.093 4.320 0.000 0.000 0.207 251 K C 1.470 178.240 176.600 0.282 0.000 1.048 251 K CA 1.737 58.267 56.287 0.405 0.000 0.930 251 K CB -0.489 32.344 32.500 0.554 0.000 0.716 251 K HN 0.204 nan 8.250 nan 0.000 0.444 252 D N 1.426 121.952 120.400 0.209 0.000 2.127 252 D HA -0.168 4.472 4.640 0.000 0.000 0.190 252 D C 2.180 178.507 176.300 0.045 0.000 1.000 252 D CA 1.766 55.838 54.000 0.119 0.000 0.839 252 D CB -0.372 40.525 40.800 0.161 0.000 0.955 252 D HN 0.100 nan 8.370 nan 0.000 0.446 253 V N 1.350 121.318 119.914 0.090 0.000 2.332 253 V HA -0.250 3.870 4.120 0.000 0.000 0.248 253 V C 2.211 178.352 176.094 0.078 0.000 1.055 253 V CA 1.489 63.834 62.300 0.075 0.000 1.038 253 V CB -0.634 31.252 31.823 0.104 0.000 0.651 253 V HN 0.102 nan 8.190 nan 0.000 0.450 254 F N 1.942 121.888 119.950 -0.006 0.000 2.046 254 F HA -0.217 4.310 4.527 0.000 0.000 0.297 254 F C 2.300 178.043 175.800 -0.094 0.000 1.123 254 F CA 1.635 59.624 58.000 -0.018 0.000 1.199 254 F CB -1.165 37.861 39.000 0.042 0.000 0.972 254 F HN 0.084 nan 8.300 nan 0.000 0.474 255 A N 0.861 123.275 122.820 -0.677 0.000 1.865 255 A HA -0.214 4.106 4.320 0.000 0.000 0.217 255 A C 2.217 179.458 177.584 -0.570 0.000 1.191 255 A CA 1.910 53.397 52.037 -0.916 0.000 0.623 255 A CB -1.572 16.976 19.000 -0.754 0.000 0.826 255 A HN 0.516 nan 8.150 nan 0.000 0.444 256 L N -0.382 120.621 121.223 -0.365 0.000 2.123 256 L HA -0.287 4.053 4.340 0.000 0.000 0.217 256 L C 2.763 179.459 176.870 -0.291 0.000 1.081 256 L CA 2.362 57.013 54.840 -0.316 0.000 0.772 256 L CB -0.700 41.232 42.059 -0.212 0.000 0.890 256 L HN 0.439 nan 8.230 nan 0.000 0.437 257 A N -1.640 121.055 122.820 -0.209 0.000 1.855 257 A HA -0.139 4.182 4.320 0.000 0.000 0.215 257 A C 2.223 179.738 177.584 -0.116 0.000 1.191 257 A CA 1.914 53.887 52.037 -0.106 0.000 0.613 257 A CB -1.066 17.934 19.000 0.000 0.000 0.829 257 A HN 0.256 nan 8.150 nan 0.000 0.442 258 V N 0.067 119.839 119.914 -0.236 0.000 2.324 258 V HA -0.282 3.839 4.120 0.000 0.000 0.250 258 V C 2.558 178.579 176.094 -0.121 0.000 1.060 258 V CA 2.113 64.295 62.300 -0.197 0.000 1.042 258 V CB -1.218 30.369 31.823 -0.393 0.000 0.650 258 V HN 0.368 nan 8.190 nan 0.000 0.450 259 V N -0.040 119.762 119.914 -0.187 0.000 2.233 259 V HA -0.297 3.823 4.120 0.000 0.000 0.247 259 V C 2.370 178.481 176.094 0.029 0.000 1.050 259 V CA 2.317 64.560 62.300 -0.094 0.000 1.010 259 V CB -0.735 30.978 31.823 -0.183 0.000 0.637 259 V HN 0.441 nan 8.190 nan 0.000 0.444 260 L N -0.587 120.635 121.223 -0.001 0.000 2.081 260 L HA -0.226 4.114 4.340 0.000 0.000 0.212 260 L C 2.526 179.640 176.870 0.406 0.000 1.080 260 L CA 1.287 56.268 54.840 0.236 0.000 0.754 260 L CB -0.749 41.420 42.059 0.183 0.000 0.893 260 L HN 0.379 nan 8.230 nan 0.000 0.433 261 L N -0.024 121.328 121.223 0.216 0.000 1.971 261 L HA -0.196 4.144 4.340 0.000 0.000 0.215 261 L C 2.442 179.447 176.870 0.225 0.000 1.072 261 L CA 1.954 56.911 54.840 0.196 0.000 0.758 261 L CB -0.706 41.414 42.059 0.102 0.000 0.889 261 L HN -0.046 nan 8.230 nan 0.000 0.433 262 V N -0.415 119.606 119.914 0.178 0.000 2.295 262 V HA -0.299 3.821 4.120 0.000 0.000 0.246 262 V C 2.349 178.577 176.094 0.224 0.000 1.049 262 V CA 1.980 64.385 62.300 0.175 0.000 1.024 262 V CB -1.169 30.739 31.823 0.142 0.000 0.648 262 V HN 0.540 nan 8.190 nan 0.000 0.447 263 F N 1.050 121.045 119.950 0.075 0.000 2.043 263 F HA -0.243 4.284 4.527 0.000 0.000 0.297 263 F C 2.107 177.894 175.800 -0.023 0.000 1.121 263 F CA 1.651 59.653 58.000 0.002 0.000 1.199 263 F CB -0.860 38.087 39.000 -0.089 0.000 0.968 263 F HN 0.136 nan 8.300 nan 0.000 0.478 264 F N 0.595 120.465 119.950 -0.134 0.000 2.161 264 F HA -0.148 4.380 4.527 0.000 0.000 0.300 264 F C 2.620 178.324 175.800 -0.161 0.000 1.089 264 F CA 1.457 59.299 58.000 -0.263 0.000 1.282 264 F CB -1.380 37.573 39.000 -0.077 0.000 1.010 264 F HN 0.122 nan 8.300 nan 0.000 0.485 265 A N 0.527 123.456 122.820 0.182 0.000 1.917 265 A HA -0.214 4.106 4.320 0.000 0.000 0.219 265 A C 2.254 179.952 177.584 0.190 0.000 1.182 265 A CA 1.931 54.125 52.037 0.263 0.000 0.633 265 A CB -0.866 18.282 19.000 0.246 0.000 0.819 265 A HN 0.294 nan 8.150 nan 0.000 0.448 266 I N -0.054 120.550 120.570 0.056 0.000 2.133 266 I HA -0.168 4.002 4.170 0.000 0.000 0.238 266 I C 2.493 178.550 176.117 -0.099 0.000 1.074 266 I CA 1.392 62.700 61.300 0.014 0.000 1.342 266 I CB -1.563 36.461 38.000 0.041 0.000 1.053 266 I HN 0.176 nan 8.210 nan 0.000 0.404 267 V N 1.437 121.188 119.914 -0.272 0.000 2.568 267 V HA -0.169 3.952 4.120 0.000 0.000 0.253 267 V C 2.575 178.543 176.094 -0.211 0.000 1.072 267 V CA 1.897 64.013 62.300 -0.307 0.000 1.084 267 V CB -1.626 29.861 31.823 -0.560 0.000 0.676 267 V HN 0.539 nan 8.190 nan 0.000 0.469 268 G N -0.711 107.940 108.800 -0.249 0.000 2.417 268 G HA2 -0.076 3.884 3.960 0.000 0.000 0.212 268 G HA3 -0.076 3.884 3.960 0.000 0.000 0.212 268 G C 1.274 175.827 174.900 -0.578 0.000 1.187 268 G CA 0.549 45.380 45.100 -0.448 0.000 0.804 268 G HN 0.478 nan 8.290 nan 0.000 0.534 269 F N 0.455 120.397 119.950 -0.014 0.000 2.530 269 F HA 0.378 4.905 4.527 0.000 0.000 0.292 269 F C 1.623 177.393 175.800 -0.050 0.000 1.109 269 F CA 0.325 58.309 58.000 -0.026 0.000 1.450 269 F CB 0.192 39.179 39.000 -0.022 0.000 1.114 269 F HN 0.063 nan 8.300 nan 0.000 0.560 270 M N -0.397 119.242 119.600 0.065 0.000 3.269 270 M HA 0.374 4.855 4.480 0.000 0.000 0.340 270 M C -2.494 173.801 176.300 -0.010 0.000 1.662 270 M CA -1.260 54.058 55.300 0.030 0.000 0.547 270 M CB 0.983 33.597 32.600 0.024 0.000 1.449 270 M HN -0.282 nan 8.290 nan 0.000 0.459 271 P HA -0.122 nan 4.420 nan 0.000 0.218 271 P C 0.365 177.571 177.300 -0.157 0.000 1.149 271 P CA 1.461 64.354 63.100 -0.345 0.000 0.817 271 P CB 0.028 31.078 31.700 -1.084 0.000 0.785 272 N N -1.519 117.144 118.700 -0.061 0.000 2.383 272 N HA -0.052 4.689 4.740 0.000 0.000 0.192 272 N C 1.484 177.101 175.510 0.177 0.000 1.141 272 N CA -0.038 53.091 53.050 0.131 0.000 0.851 272 N CB -0.540 38.079 38.487 0.219 0.000 0.976 272 N HN 0.178 nan 8.380 nan 0.000 0.465 273 Y N 1.834 122.155 120.300 0.035 0.000 2.089 273 Y HA -0.031 4.519 4.550 0.000 0.000 0.282 273 Y C 1.841 177.768 175.900 0.046 0.000 1.139 273 Y CA 1.353 59.472 58.100 0.032 0.000 1.123 273 Y CB -0.458 38.010 38.460 0.014 0.000 0.980 273 Y HN -0.046 nan 8.280 nan 0.000 0.493 274 L N 0.380 121.582 121.223 -0.035 0.000 2.633 274 L HA 0.059 4.399 4.340 0.000 0.000 0.235 274 L C 1.019 177.913 176.870 0.039 0.000 1.163 274 L CA 0.390 55.183 54.840 -0.079 0.000 0.859 274 L CB -1.179 40.964 42.059 0.139 0.000 0.973 274 L HN 0.288 nan 8.230 nan 0.000 0.451 275 G N -2.509 106.319 108.800 0.047 0.000 2.600 275 G HA2 0.288 4.248 3.960 0.000 0.000 0.303 275 G HA3 0.288 4.248 3.960 0.000 0.000 0.303 275 G C -1.436 173.527 174.900 0.104 0.000 1.253 275 G CA -0.438 44.726 45.100 0.106 0.000 0.974 275 G HN -0.031 nan 8.290 nan 0.000 0.483 276 H N 1.060 120.188 119.070 0.097 0.000 2.705 276 H HA 0.282 4.838 4.556 0.000 0.000 0.291 276 H C -1.559 173.840 175.328 0.118 0.000 1.085 276 H CA -1.903 54.206 56.048 0.100 0.000 1.357 276 H CB 1.971 31.805 29.762 0.120 0.000 1.419 276 H HN 0.062 nan 8.280 nan 0.000 0.462 277 P HA -0.144 nan 4.420 nan 0.000 0.218 277 P C 0.645 178.203 177.300 0.430 0.000 1.146 277 P CA 1.178 64.493 63.100 0.358 0.000 0.820 277 P CB 0.427 32.250 31.700 0.204 0.000 0.778 278 D N -2.202 118.562 120.400 0.607 0.000 2.348 278 D HA -0.068 4.572 4.640 0.000 0.000 0.216 278 D C 1.329 177.701 176.300 0.120 0.000 0.970 278 D CA 0.654 54.824 54.000 0.283 0.000 0.889 278 D CB -0.770 40.090 40.800 0.100 0.000 0.912 278 D HN 0.045 nan 8.370 nan 0.000 0.524 279 N N -0.665 118.092 118.700 0.095 0.000 2.383 279 N HA -0.050 4.690 4.740 0.000 0.000 0.192 279 N C -0.133 175.395 175.510 0.030 0.000 1.141 279 N CA 0.199 53.224 53.050 -0.041 0.000 0.851 279 N CB 0.002 38.409 38.487 -0.133 0.000 0.976 279 N HN 0.158 nan 8.380 nan 0.000 0.465 280 Y N -0.368 120.071 120.300 0.232 0.000 2.571 280 Y HA 0.343 4.894 4.550 0.000 0.000 0.275 280 Y C 0.062 176.115 175.900 0.254 0.000 1.179 280 Y CA -0.386 57.916 58.100 0.337 0.000 1.242 280 Y CB 0.407 39.026 38.460 0.266 0.000 1.126 280 Y HN -0.061 nan 8.280 nan 0.000 0.524 281 I N 0.742 121.413 120.570 0.169 0.000 2.404 281 I HA 0.176 4.346 4.170 0.000 0.000 0.293 281 I C 0.201 176.114 176.117 -0.340 0.000 0.992 281 I CA -1.053 60.242 61.300 -0.007 0.000 1.149 281 I CB 1.467 39.478 38.000 0.018 0.000 1.315 281 I HN 0.102 nan 8.210 nan 0.000 0.446 282 E N 3.315 123.211 120.200 -0.507 0.000 2.413 282 E HA 0.233 4.583 4.350 0.000 0.000 0.263 282 E C 0.222 176.542 176.600 -0.465 0.000 1.015 282 E CA -0.302 55.640 56.400 -0.764 0.000 0.916 282 E CB 0.813 30.218 29.700 -0.491 0.000 0.947 282 E HN 0.698 nan 8.360 nan 0.000 0.440 283 A N 3.733 126.229 122.820 -0.541 0.000 2.565 283 A HA -0.029 4.291 4.320 0.000 0.000 0.237 283 A C 0.127 177.385 177.584 -0.544 0.000 1.053 283 A CA 0.108 51.766 52.037 -0.633 0.000 0.755 283 A CB 0.093 18.404 19.000 -1.148 0.000 0.980 283 A HN 0.537 nan 8.150 nan 0.000 0.506 284 N N 2.711 121.136 118.700 -0.457 0.000 2.491 284 N HA 0.396 5.136 4.740 0.000 0.000 0.274 284 N C -2.560 172.777 175.510 -0.289 0.000 1.023 284 N CA -2.070 50.810 53.050 -0.283 0.000 0.902 284 N CB 2.007 40.466 38.487 -0.046 0.000 1.267 284 N HN 0.125 nan 8.380 nan 0.000 0.503 285 P HA 0.081 nan 4.420 nan 0.000 0.230 285 P C 0.533 177.983 177.300 0.250 0.000 1.158 285 P CA 0.871 63.825 63.100 -0.244 0.000 0.769 285 P CB 0.378 31.911 31.700 -0.278 0.000 0.807 286 L N -1.605 119.744 121.223 0.210 0.000 2.965 286 L HA 0.342 4.683 4.340 0.000 0.000 0.254 286 L C 0.621 177.626 176.870 0.225 0.000 1.220 286 L CA -0.141 54.834 54.840 0.224 0.000 1.023 286 L CB 0.234 42.354 42.059 0.101 0.000 1.355 286 L HN -0.128 nan 8.230 nan 0.000 0.545 287 R N -0.104 120.620 120.500 0.373 0.000 2.572 287 R HA 0.310 4.650 4.340 0.000 0.000 0.273 287 R C -1.310 175.025 176.300 0.059 0.000 1.168 287 R CA -0.203 55.982 56.100 0.142 0.000 1.021 287 R CB 1.839 32.196 30.300 0.094 0.000 1.249 287 R HN -0.153 nan 8.270 nan 0.000 0.423 288 T N 5.794 120.092 114.554 -0.428 0.000 2.749 288 T HA 0.352 4.702 4.350 0.000 0.000 0.287 288 T C -2.475 171.985 174.700 -0.399 0.000 0.970 288 T CA -1.335 60.229 62.100 -0.894 0.000 0.980 288 T CB 1.524 69.649 68.868 -1.239 0.000 0.924 288 T HN 0.364 nan 8.240 nan 0.000 0.456 289 P HA 0.161 nan 4.420 nan 0.000 0.265 289 P C 0.503 177.687 177.300 -0.193 0.000 1.193 289 P CA -0.167 62.851 63.100 -0.137 0.000 0.765 289 P CB 0.450 32.122 31.700 -0.046 0.000 0.823 290 A N 3.205 125.876 122.820 -0.248 0.000 2.070 290 A HA -0.177 4.143 4.320 0.000 0.000 0.220 290 A C 1.000 178.359 177.584 -0.375 0.000 1.159 290 A CA 1.391 53.213 52.037 -0.358 0.000 0.656 290 A CB -0.812 17.891 19.000 -0.495 0.000 0.800 290 A HN 0.598 nan 8.150 nan 0.000 0.453 291 H N -1.182 117.902 119.070 0.023 0.000 2.469 291 H HA 0.272 4.829 4.556 0.000 0.000 0.286 291 H C 0.118 175.524 175.328 0.130 0.000 1.106 291 H CA -0.957 55.137 56.048 0.076 0.000 1.055 291 H CB -0.416 29.414 29.762 0.113 0.000 1.618 291 H HN 0.506 nan 8.280 nan 0.000 0.559 292 I N 2.064 122.674 120.570 0.067 0.000 2.742 292 I HA -0.033 4.138 4.170 0.000 0.000 0.287 292 I C -0.757 175.361 176.117 0.001 0.000 1.186 292 I CA 0.466 61.748 61.300 -0.030 0.000 1.417 292 I CB -0.010 37.936 38.000 -0.090 0.000 1.377 292 I HN -0.194 nan 8.210 nan 0.000 0.556 293 V N 7.521 127.437 119.914 0.002 0.000 2.888 293 V HA 0.469 4.589 4.120 0.000 0.000 0.309 293 V C -2.202 173.799 176.094 -0.154 0.000 1.114 293 V CA -1.261 60.987 62.300 -0.086 0.000 0.940 293 V CB 1.714 33.553 31.823 0.027 0.000 1.021 293 V HN 0.679 nan 8.190 nan 0.000 0.426 294 P HA 0.343 nan 4.420 nan 0.000 0.277 294 P C -0.855 176.259 177.300 -0.310 0.000 1.276 294 P CA -0.606 62.311 63.100 -0.304 0.000 0.788 294 P CB 0.454 31.911 31.700 -0.406 0.000 1.114 295 E N 0.802 120.707 120.200 -0.491 0.000 2.366 295 E HA -0.043 4.308 4.350 0.000 0.000 0.266 295 E C 1.071 177.126 176.600 -0.908 0.000 1.015 295 E CA -0.121 55.733 56.400 -0.909 0.000 0.906 295 E CB -0.251 28.420 29.700 -1.715 0.000 0.979 295 E HN 0.521 nan 8.360 nan 0.000 0.443 296 W N 4.898 125.876 121.300 -0.536 0.000 2.255 296 W HA -0.396 4.264 4.660 0.000 0.000 0.318 296 W C 0.849 177.216 176.519 -0.252 0.000 1.277 296 W CA 1.614 58.767 57.345 -0.321 0.000 1.286 296 W CB -1.092 28.251 29.460 -0.196 0.000 1.132 296 W HN 0.756 nan 8.180 nan 0.000 0.504 297 Y N -2.246 117.000 120.300 -1.758 0.000 2.680 297 Y HA 0.108 4.658 4.550 0.000 0.000 0.303 297 Y C 1.458 176.981 175.900 -0.627 0.000 1.166 297 Y CA -0.003 57.160 58.100 -1.561 0.000 1.344 297 Y CB -1.791 35.369 38.460 -2.168 0.000 1.002 297 Y HN -0.160 nan 8.280 nan 0.000 0.537 298 F N -0.689 118.981 119.950 -0.467 0.000 2.680 298 F HA 0.218 4.746 4.527 0.000 0.000 0.290 298 F C 1.884 177.611 175.800 -0.122 0.000 1.114 298 F CA -1.027 56.851 58.000 -0.203 0.000 1.333 298 F CB -0.691 38.135 39.000 -0.290 0.000 1.091 298 F HN 0.070 nan 8.300 nan 0.000 0.606 299 L N 1.616 122.836 121.223 -0.004 0.000 2.026 299 L HA -0.292 4.048 4.340 0.000 0.000 0.231 299 L C -0.096 176.734 176.870 -0.067 0.000 1.095 299 L CA 2.395 57.228 54.840 -0.012 0.000 0.810 299 L CB -2.268 39.763 42.059 -0.047 0.000 0.909 299 L HN 0.057 nan 8.230 nan 0.000 0.444 300 P HA -0.241 nan 4.420 nan 0.000 0.214 300 P C 1.637 178.626 177.300 -0.519 0.000 1.169 300 P CA 1.986 64.747 63.100 -0.565 0.000 0.908 300 P CB -0.266 30.785 31.700 -1.082 0.000 0.791 301 F N -1.664 118.149 119.950 -0.228 0.000 2.269 301 F HA -0.143 4.384 4.527 0.000 0.000 0.301 301 F C 2.767 178.462 175.800 -0.174 0.000 1.082 301 F CA 1.035 58.895 58.000 -0.234 0.000 1.360 301 F CB -1.667 37.194 39.000 -0.232 0.000 1.041 301 F HN -0.073 nan 8.300 nan 0.000 0.512 302 Y N 0.863 121.097 120.300 -0.110 0.000 2.163 302 Y HA -0.091 4.459 4.550 0.000 0.000 0.288 302 Y C 2.328 178.135 175.900 -0.154 0.000 1.136 302 Y CA 0.878 58.896 58.100 -0.136 0.000 1.147 302 Y CB -0.900 37.488 38.460 -0.121 0.000 0.987 302 Y HN -0.034 nan 8.280 nan 0.000 0.509 303 A N 1.325 124.006 122.820 -0.232 0.000 1.859 303 A HA -0.260 4.060 4.320 0.000 0.000 0.218 303 A C 2.366 179.737 177.584 -0.355 0.000 1.209 303 A CA 2.523 54.348 52.037 -0.354 0.000 0.639 303 A CB -1.411 17.438 19.000 -0.253 0.000 0.835 303 A HN 0.588 nan 8.150 nan 0.000 0.450 304 I N -0.758 119.654 120.570 -0.264 0.000 2.087 304 I HA -0.335 3.836 4.170 0.000 0.000 0.240 304 I C 2.581 178.621 176.117 -0.128 0.000 1.054 304 I CA 2.033 63.232 61.300 -0.168 0.000 1.311 304 I CB -0.451 37.514 38.000 -0.059 0.000 1.024 304 I HN 0.506 nan 8.210 nan 0.000 0.402 305 L N 1.419 122.576 121.223 -0.110 0.000 2.043 305 L HA -0.251 4.089 4.340 0.000 0.000 0.212 305 L C 2.730 179.524 176.870 -0.126 0.000 1.075 305 L CA 1.910 56.713 54.840 -0.061 0.000 0.752 305 L CB -0.328 41.662 42.059 -0.114 0.000 0.891 305 L HN 0.265 nan 8.230 nan 0.000 0.432 306 R N -0.872 119.428 120.500 -0.334 0.000 2.310 306 R HA 0.185 4.525 4.340 0.000 0.000 0.202 306 R C 1.844 177.946 176.300 -0.330 0.000 0.933 306 R CA 0.696 56.598 56.100 -0.330 0.000 1.054 306 R CB -0.422 29.578 30.300 -0.499 0.000 0.985 306 R HN 0.307 nan 8.270 nan 0.000 0.489 307 A N 1.636 124.182 122.820 -0.456 0.000 1.898 307 A HA -0.006 4.314 4.320 0.000 0.000 0.216 307 A C 0.313 177.540 177.584 -0.595 0.000 1.181 307 A CA 0.528 52.199 52.037 -0.610 0.000 0.620 307 A CB -0.426 18.045 19.000 -0.882 0.000 0.819 307 A HN 0.304 nan 8.150 nan 0.000 0.442 308 F N 2.144 122.049 119.950 -0.075 0.000 2.494 308 F HA 0.311 4.839 4.527 0.001 0.000 0.351 308 F C 1.197 176.946 175.800 -0.085 0.000 1.205 308 F CA 0.024 57.986 58.000 -0.063 0.000 1.125 308 F CB -0.389 38.691 39.000 0.134 0.000 1.268 308 F HN 0.140 nan 8.300 nan 0.000 0.593 309 T N -1.347 113.201 114.554 -0.009 0.000 2.936 309 T HA 0.610 4.960 4.350 0.000 0.000 0.282 309 T C 1.204 175.887 174.700 -0.028 0.000 1.003 309 T CA -0.497 61.584 62.100 -0.030 0.000 1.005 309 T CB 1.739 70.561 68.868 -0.076 0.000 1.097 309 T HN 0.470 nan 8.240 nan 0.000 0.532 310 A N -0.049 122.759 122.820 -0.019 0.000 2.259 310 A HA 0.028 4.349 4.320 0.000 0.000 0.212 310 A C 1.378 178.952 177.584 -0.016 0.000 1.178 310 A CA 0.849 52.876 52.037 -0.017 0.000 0.734 310 A CB -0.670 18.330 19.000 -0.001 0.000 0.774 310 A HN 0.840 nan 8.150 nan 0.000 0.481 311 D N -0.626 119.760 120.400 -0.024 0.000 2.402 311 D HA 0.203 4.843 4.640 0.000 0.000 0.216 311 D C -0.201 176.097 176.300 -0.002 0.000 1.128 311 D CA 0.137 54.137 54.000 0.001 0.000 0.833 311 D CB 0.644 41.442 40.800 -0.003 0.000 0.971 311 D HN 0.146 nan 8.370 nan 0.000 0.503 312 V N 1.138 121.025 119.914 -0.045 0.000 2.607 312 V HA 0.035 4.156 4.120 0.000 0.000 0.289 312 V C 1.065 177.194 176.094 0.057 0.000 1.053 312 V CA -0.679 61.576 62.300 -0.074 0.000 0.996 312 V CB 1.731 33.506 31.823 -0.078 0.000 0.995 312 V HN 0.108 nan 8.190 nan 0.000 0.476 313 W N 2.548 123.786 121.300 -0.102 0.000 2.352 313 W HA -0.110 4.550 4.660 0.000 0.000 0.322 313 W C 2.172 178.610 176.519 -0.136 0.000 1.208 313 W CA 1.151 58.442 57.345 -0.091 0.000 1.286 313 W CB -1.373 28.063 29.460 -0.040 0.000 1.167 313 W HN 0.395 nan 8.180 nan 0.000 0.469 314 V N 0.467 120.450 119.914 0.114 0.000 2.363 314 V HA -0.362 3.758 4.120 0.000 0.000 0.254 314 V C 2.171 178.099 176.094 -0.276 0.000 1.074 314 V CA 1.985 64.270 62.300 -0.026 0.000 1.069 314 V CB -1.588 30.232 31.823 -0.006 0.000 0.659 314 V HN 0.032 nan 8.190 nan 0.000 0.455 315 V N -0.167 119.401 119.914 -0.577 0.000 2.261 315 V HA -0.330 3.790 4.120 0.000 0.000 0.246 315 V C 2.534 178.429 176.094 -0.332 0.000 1.047 315 V CA 2.394 64.152 62.300 -0.903 0.000 1.015 315 V CB -0.787 30.594 31.823 -0.737 0.000 0.642 315 V HN 0.648 nan 8.190 nan 0.000 0.446 316 Q N -0.477 119.233 119.800 -0.151 0.000 2.096 316 Q HA -0.191 4.149 4.340 0.000 0.000 0.204 316 Q C 2.268 178.268 176.000 -0.001 0.000 0.982 316 Q CA 1.881 57.658 55.803 -0.043 0.000 0.850 316 Q CB -0.378 28.353 28.738 -0.011 0.000 0.901 316 Q HN 0.566 nan 8.270 nan 0.000 0.422 317 I N 1.307 121.871 120.570 -0.011 0.000 2.091 317 I HA -0.346 3.825 4.170 0.000 0.000 0.239 317 I C 2.595 178.756 176.117 0.075 0.000 1.061 317 I CA 1.242 62.558 61.300 0.027 0.000 1.317 317 I CB -0.622 37.391 38.000 0.022 0.000 1.031 317 I HN 0.204 nan 8.210 nan 0.000 0.401 318 A N 0.934 123.777 122.820 0.039 0.000 1.892 318 A HA -0.325 3.995 4.320 0.000 0.000 0.218 318 A C 2.082 179.701 177.584 0.058 0.000 1.188 318 A CA 2.520 54.600 52.037 0.072 0.000 0.631 318 A CB -1.005 18.087 19.000 0.153 0.000 0.822 318 A HN 0.543 nan 8.150 nan 0.000 0.447 319 N N -1.132 117.592 118.700 0.040 0.000 2.205 319 N HA -0.166 4.574 4.740 0.000 0.000 0.186 319 N C 1.357 176.876 175.510 0.014 0.000 1.015 319 N CA 1.839 54.913 53.050 0.041 0.000 0.862 319 N CB -0.516 37.989 38.487 0.030 0.000 0.986 319 N HN 0.482 nan 8.380 nan 0.000 0.429 320 F N 0.974 120.868 119.950 -0.093 0.000 2.094 320 F HA 0.192 4.720 4.527 0.000 0.000 0.291 320 F C 2.176 177.807 175.800 -0.283 0.000 1.109 320 F CA 0.806 58.713 58.000 -0.155 0.000 1.221 320 F CB -0.465 38.453 39.000 -0.137 0.000 1.014 320 F HN -0.055 nan 8.300 nan 0.000 0.473 321 I N 0.476 120.949 120.570 -0.161 0.000 2.381 321 I HA -0.321 3.850 4.170 0.000 0.000 0.255 321 I C 2.103 177.926 176.117 -0.490 0.000 1.140 321 I CA 1.719 62.839 61.300 -0.301 0.000 1.404 321 I CB -0.727 37.242 38.000 -0.052 0.000 1.075 321 I HN 0.364 nan 8.210 nan 0.000 0.433 322 S N -0.608 114.900 115.700 -0.320 0.000 2.556 322 S HA 0.082 4.552 4.470 0.000 0.000 0.216 322 S C 0.729 175.363 174.600 0.055 0.000 0.970 322 S CA -0.420 57.731 58.200 -0.081 0.000 0.912 322 S CB -0.242 62.993 63.200 0.059 0.000 0.790 322 S HN 0.391 nan 8.310 nan 0.000 0.504 323 F N 0.937 120.768 119.950 -0.198 0.000 3.028 323 F HA -0.076 4.451 4.527 0.000 0.000 0.306 323 F C 1.505 177.247 175.800 -0.097 0.000 0.896 323 F CA 0.537 58.427 58.000 -0.184 0.000 1.184 323 F CB -1.859 37.056 39.000 -0.142 0.000 1.213 323 F HN 0.535 nan 8.300 nan 0.000 0.629 324 G N -0.636 108.183 108.800 0.032 0.000 2.383 324 G HA2 -0.404 3.556 3.960 0.000 0.000 0.229 324 G HA3 -0.404 3.556 3.960 0.000 0.000 0.229 324 G C 1.171 176.112 174.900 0.068 0.000 1.089 324 G CA 0.225 45.356 45.100 0.051 0.000 0.640 324 G HN 0.509 nan 8.290 nan 0.000 0.510 325 I N 1.498 122.120 120.570 0.086 0.000 2.074 325 I HA -0.171 3.999 4.170 0.000 0.000 0.238 325 I C 1.728 177.927 176.117 0.138 0.000 1.037 325 I CA 1.754 63.102 61.300 0.080 0.000 1.301 325 I CB -0.246 37.804 38.000 0.084 0.000 1.016 325 I HN 0.267 nan 8.210 nan 0.000 0.400 326 I N 2.102 122.787 120.570 0.192 0.000 2.382 326 I HA -0.044 4.126 4.170 0.000 0.000 0.297 326 I C 0.189 176.443 176.117 0.227 0.000 1.172 326 I CA -0.553 60.930 61.300 0.304 0.000 1.825 326 I CB -1.097 37.062 38.000 0.263 0.000 1.509 326 I HN 0.312 nan 8.210 nan 0.000 0.842 327 D N 3.339 123.861 120.400 0.204 0.000 2.398 327 D HA 0.208 4.849 4.640 0.000 0.000 0.264 327 D C 1.405 177.801 176.300 0.159 0.000 1.263 327 D CA -0.201 53.879 54.000 0.134 0.000 1.037 327 D CB 0.694 41.553 40.800 0.098 0.000 1.101 327 D HN 0.201 nan 8.370 nan 0.000 0.551 328 A N -0.244 122.630 122.820 0.090 0.000 1.859 328 A HA -0.278 4.042 4.320 0.000 0.000 0.217 328 A C 1.984 179.674 177.584 0.178 0.000 1.198 328 A CA 2.725 54.819 52.037 0.095 0.000 0.629 328 A CB -1.153 17.876 19.000 0.047 0.000 0.830 328 A HN 0.722 nan 8.150 nan 0.000 0.446 329 K N -1.574 118.913 120.400 0.145 0.000 1.998 329 K HA -0.268 4.052 4.320 0.000 0.000 0.228 329 K C 1.778 178.507 176.600 0.215 0.000 1.053 329 K CA 2.389 58.767 56.287 0.151 0.000 0.988 329 K CB -0.545 32.030 32.500 0.125 0.000 0.735 329 K HN 0.353 nan 8.250 nan 0.000 0.448 330 F N 0.783 120.775 119.950 0.070 0.000 2.250 330 F HA -0.156 4.371 4.527 0.000 0.000 0.301 330 F C 1.861 177.694 175.800 0.055 0.000 1.077 330 F CA 1.121 59.151 58.000 0.051 0.000 1.348 330 F CB -0.541 38.483 39.000 0.040 0.000 1.040 330 F HN 0.201 nan 8.300 nan 0.000 0.509 331 F N 0.534 120.414 119.950 -0.117 0.000 2.084 331 F HA 0.022 4.549 4.527 0.000 0.000 0.296 331 F C 2.499 178.146 175.800 -0.254 0.000 1.111 331 F CA 1.887 59.718 58.000 -0.281 0.000 1.224 331 F CB -1.102 37.776 39.000 -0.204 0.000 0.991 331 F HN -0.045 nan 8.300 nan 0.000 0.471 332 G N 0.151 109.056 108.800 0.174 0.000 2.476 332 G HA2 -0.267 3.693 3.960 0.000 0.000 0.218 332 G HA3 -0.267 3.693 3.960 0.000 0.000 0.218 332 G C 1.754 176.635 174.900 -0.032 0.000 1.164 332 G CA 1.429 46.630 45.100 0.168 0.000 0.768 332 G HN 0.357 nan 8.290 nan 0.000 0.560 333 V N 0.916 120.790 119.914 -0.067 0.000 2.255 333 V HA -0.171 3.949 4.120 0.000 0.000 0.247 333 V C 2.953 178.960 176.094 -0.146 0.000 1.051 333 V CA 1.792 64.040 62.300 -0.087 0.000 1.018 333 V CB -0.574 31.281 31.823 0.052 0.000 0.641 333 V HN 0.361 nan 8.190 nan 0.000 0.445 334 L N 0.076 121.075 121.223 -0.374 0.000 2.042 334 L HA -0.226 4.114 4.340 0.000 0.000 0.210 334 L C 2.742 179.422 176.870 -0.318 0.000 1.076 334 L CA 1.749 56.331 54.840 -0.429 0.000 0.749 334 L CB -0.860 40.730 42.059 -0.782 0.000 0.893 334 L HN 0.376 nan 8.230 nan 0.000 0.432 335 A N -0.540 122.013 122.820 -0.445 0.000 1.917 335 A HA -0.306 4.015 4.320 0.000 0.000 0.219 335 A C 2.315 179.959 177.584 0.099 0.000 1.182 335 A CA 2.297 54.176 52.037 -0.264 0.000 0.633 335 A CB -0.543 18.340 19.000 -0.196 0.000 0.819 335 A HN 0.434 nan 8.150 nan 0.000 0.448 336 M N -1.757 117.828 119.600 -0.025 0.000 2.074 336 M HA -0.074 4.406 4.480 0.000 0.000 0.259 336 M C 1.958 178.203 176.300 -0.092 0.000 1.079 336 M CA 2.007 57.260 55.300 -0.078 0.000 1.119 336 M CB -0.290 32.120 32.600 -0.318 0.000 1.297 336 M HN 0.356 nan 8.290 nan 0.000 0.416 337 F N 0.447 120.361 119.950 -0.060 0.000 2.192 337 F HA -0.141 4.386 4.527 0.000 0.000 0.301 337 F C 2.440 178.240 175.800 -0.001 0.000 1.079 337 F CA 1.573 59.527 58.000 -0.077 0.000 1.303 337 F CB -1.563 37.367 39.000 -0.117 0.000 1.024 337 F HN 0.329 nan 8.300 nan 0.000 0.494 338 G N -0.558 108.359 108.800 0.195 0.000 2.421 338 G HA2 -0.179 3.781 3.960 0.000 0.000 0.216 338 G HA3 -0.179 3.781 3.960 0.000 0.000 0.216 338 G C 1.941 177.025 174.900 0.305 0.000 1.171 338 G CA 0.815 46.053 45.100 0.230 0.000 0.775 338 G HN 0.460 nan 8.290 nan 0.000 0.543 339 A N 0.486 123.508 122.820 0.338 0.000 1.986 339 A HA -0.041 4.279 4.320 0.000 0.000 0.220 339 A C 2.375 180.120 177.584 0.268 0.000 1.171 339 A CA 1.509 53.614 52.037 0.113 0.000 0.640 339 A CB -0.315 18.658 19.000 -0.045 0.000 0.811 339 A HN 0.440 nan 8.150 nan 0.000 0.451 340 I N -1.395 119.312 120.570 0.229 0.000 2.296 340 I HA -0.112 4.058 4.170 0.000 0.000 0.242 340 I C 2.327 178.517 176.117 0.121 0.000 1.087 340 I CA 0.786 62.203 61.300 0.194 0.000 1.393 340 I CB -0.358 37.682 38.000 0.066 0.000 1.093 340 I HN 0.386 nan 8.210 nan 0.000 0.421 341 L N 1.658 122.954 121.223 0.122 0.000 2.021 341 L HA -0.202 4.138 4.340 0.000 0.000 0.215 341 L C 2.602 179.511 176.870 0.065 0.000 1.074 341 L CA 2.361 57.260 54.840 0.099 0.000 0.760 341 L CB -0.939 41.179 42.059 0.098 0.000 0.889 341 L HN 0.280 nan 8.230 nan 0.000 0.433 342 V N -1.898 118.028 119.914 0.021 0.000 2.332 342 V HA -0.364 3.757 4.120 0.000 0.000 0.248 342 V C 2.512 178.466 176.094 -0.232 0.000 1.055 342 V CA 2.395 64.652 62.300 -0.071 0.000 1.038 342 V CB -1.141 30.607 31.823 -0.125 0.000 0.651 342 V HN 0.673 nan 8.190 nan 0.000 0.450 343 M N 0.856 120.202 119.600 -0.423 0.000 2.202 343 M HA -0.081 4.399 4.480 0.000 0.000 0.262 343 M C 2.135 178.527 176.300 0.152 0.000 1.063 343 M CA 2.177 57.235 55.300 -0.404 0.000 1.097 343 M CB -0.375 32.100 32.600 -0.208 0.000 1.382 343 M HN 0.526 nan 8.290 nan 0.000 0.413 344 A N 0.075 123.019 122.820 0.207 0.000 1.968 344 A HA -0.007 4.313 4.320 0.000 0.000 0.217 344 A C 1.816 179.694 177.584 0.490 0.000 1.169 344 A CA 0.986 53.268 52.037 0.409 0.000 0.638 344 A CB -0.685 18.460 19.000 0.242 0.000 0.812 344 A HN 0.589 nan 8.150 nan 0.000 0.446 345 L N -0.505 120.915 121.223 0.328 0.000 2.599 345 L HA 0.025 4.366 4.340 0.000 0.000 0.230 345 L C 2.119 179.206 176.870 0.361 0.000 1.141 345 L CA 0.050 55.165 54.840 0.458 0.000 0.877 345 L CB -0.247 41.964 42.059 0.253 0.000 1.009 345 L HN 0.251 nan 8.230 nan 0.000 0.447 346 V N 1.995 121.963 119.914 0.090 0.000 2.439 346 V HA -0.203 3.917 4.120 0.000 0.000 0.253 346 V C -0.373 175.493 176.094 -0.380 0.000 1.074 346 V CA 2.036 64.222 62.300 -0.190 0.000 1.076 346 V CB -0.555 30.961 31.823 -0.512 0.000 0.664 346 V HN 0.332 nan 8.190 nan 0.000 0.461 347 P HA -0.080 nan 4.420 nan 0.000 0.223 347 P C 1.118 178.049 177.300 -0.615 0.000 1.151 347 P CA 1.415 64.147 63.100 -0.613 0.000 0.787 347 P CB -0.089 30.892 31.700 -1.199 0.000 0.788 348 W N -1.886 119.412 121.300 -0.004 0.000 3.013 348 W HA 0.299 4.959 4.660 0.000 0.000 0.280 348 W C 1.334 177.848 176.519 -0.008 0.000 1.249 348 W CA 0.123 57.471 57.345 0.006 0.000 1.577 348 W CB -0.171 29.299 29.460 0.016 0.000 1.057 348 W HN -0.060 nan 8.180 nan 0.000 0.613 349 L N -0.257 121.057 121.223 0.151 0.000 2.375 349 L HA 0.073 4.413 4.340 0.000 0.000 0.215 349 L C 0.602 177.463 176.870 -0.015 0.000 1.108 349 L CA 0.779 55.658 54.840 0.064 0.000 0.830 349 L CB -0.417 41.672 42.059 0.050 0.000 0.959 349 L HN -0.297 nan 8.230 nan 0.000 0.457 350 D N 0.919 121.304 120.400 -0.025 0.000 2.365 350 D HA 0.041 4.681 4.640 0.000 0.000 0.237 350 D C 1.119 177.412 176.300 -0.010 0.000 1.190 350 D CA 0.078 54.068 54.000 -0.017 0.000 0.867 350 D CB 1.519 42.369 40.800 0.082 0.000 1.050 350 D HN 0.102 nan 8.370 nan 0.000 0.491 351 T N 0.061 114.607 114.554 -0.014 0.000 3.067 351 T HA 0.009 4.360 4.350 0.000 0.000 0.257 351 T C 1.222 175.909 174.700 -0.020 0.000 1.105 351 T CA -0.283 61.811 62.100 -0.010 0.000 1.104 351 T CB 0.050 68.916 68.868 -0.002 0.000 0.925 351 T HN 0.243 nan 8.240 nan 0.000 0.498 352 S N 3.492 119.177 115.700 -0.024 0.000 2.552 352 S HA 0.147 4.618 4.470 0.000 0.000 0.289 352 S C -1.275 173.286 174.600 -0.065 0.000 1.304 352 S CA -1.040 57.138 58.200 -0.037 0.000 1.063 352 S CB 0.778 63.954 63.200 -0.040 0.000 0.848 352 S HN 0.263 nan 8.310 nan 0.000 0.499 353 P HA 0.173 nan 4.420 nan 0.000 0.261 353 P C -0.446 176.805 177.300 -0.081 0.000 1.268 353 P CA -0.020 63.039 63.100 -0.067 0.000 0.833 353 P CB 0.115 31.789 31.700 -0.044 0.000 1.231 354 V N 1.996 121.854 119.914 -0.093 0.000 2.408 354 V HA 0.200 4.320 4.120 0.000 0.000 0.267 354 V C 2.116 178.111 176.094 -0.165 0.000 1.047 354 V CA -0.174 62.069 62.300 -0.095 0.000 0.937 354 V CB 1.009 32.786 31.823 -0.076 0.000 0.999 354 V HN 0.000 nan 8.190 nan 0.000 0.472 355 R N 3.791 124.205 120.500 -0.143 0.000 2.092 355 R HA -0.061 4.280 4.340 0.000 0.000 0.226 355 R C 1.475 177.607 176.300 -0.281 0.000 1.140 355 R CA 1.546 57.520 56.100 -0.209 0.000 0.910 355 R CB -0.262 29.956 30.300 -0.136 0.000 0.822 355 R HN 0.681 nan 8.270 nan 0.000 0.433 356 S N -0.829 114.765 115.700 -0.176 0.000 2.549 356 S HA 0.085 4.555 4.470 0.000 0.000 0.286 356 S C 1.015 175.264 174.600 -0.586 0.000 1.314 356 S CA -0.028 57.998 58.200 -0.290 0.000 1.062 356 S CB 1.285 64.377 63.200 -0.180 0.000 0.865 356 S HN 0.524 nan 8.310 nan 0.000 0.498 357 G N 3.757 111.970 108.800 -0.977 0.000 2.920 357 G HA2 -0.048 3.912 3.960 0.000 0.000 0.208 357 G HA3 -0.048 3.912 3.960 0.000 0.000 0.208 357 G C 1.279 175.585 174.900 -0.991 0.000 1.159 357 G CA -0.055 44.254 45.100 -1.319 0.000 0.784 357 G HN 0.791 nan 8.290 nan 0.000 0.535 358 R N -0.398 119.569 120.500 -0.887 0.000 2.189 358 R HA -0.048 4.293 4.340 0.000 0.000 0.223 358 R C 0.312 176.274 176.300 -0.563 0.000 1.092 358 R CA 0.757 56.477 56.100 -0.635 0.000 0.989 358 R CB -0.095 29.768 30.300 -0.728 0.000 0.876 358 R HN 0.410 nan 8.270 nan 0.000 0.457 359 Y N -0.027 120.183 120.300 -0.149 0.000 2.774 359 Y HA 0.388 4.939 4.550 0.000 0.000 0.305 359 Y C -0.547 175.293 175.900 -0.101 0.000 1.067 359 Y CA -0.587 57.459 58.100 -0.090 0.000 1.304 359 Y CB 0.427 38.839 38.460 -0.080 0.000 1.209 359 Y HN -0.184 nan 8.280 nan 0.000 0.543 360 R N 0.091 120.574 120.500 -0.029 0.000 2.607 360 R HA 0.254 4.595 4.340 0.000 0.000 0.278 360 R C -2.471 173.900 176.300 0.119 0.000 1.637 360 R CA -1.465 54.647 56.100 0.020 0.000 1.325 360 R CB 1.162 31.405 30.300 -0.096 0.000 1.211 360 R HN 0.017 nan 8.270 nan 0.000 0.565 361 P HA -0.195 nan 4.420 nan 0.000 0.216 361 P C 1.030 178.403 177.300 0.121 0.000 1.154 361 P CA 1.615 64.784 63.100 0.115 0.000 0.865 361 P CB 0.271 32.023 31.700 0.087 0.000 0.789 362 M N -3.151 116.530 119.600 0.135 0.000 2.160 362 M HA -0.058 4.422 4.480 0.000 0.000 0.264 362 M C 2.023 178.421 176.300 0.162 0.000 1.073 362 M CA 1.376 56.743 55.300 0.113 0.000 1.142 362 M CB -0.751 31.956 32.600 0.178 0.000 1.358 362 M HN -0.143 nan 8.290 nan 0.000 0.422 363 F N 1.912 121.934 119.950 0.120 0.000 2.027 363 F HA -0.332 4.195 4.527 0.000 0.000 0.297 363 F C 2.163 178.074 175.800 0.186 0.000 1.129 363 F CA 1.982 60.081 58.000 0.166 0.000 1.195 363 F CB -0.400 38.615 39.000 0.026 0.000 0.960 363 F HN -0.038 nan 8.300 nan 0.000 0.485 364 K N -0.143 120.546 120.400 0.482 0.000 2.207 364 K HA -0.249 4.071 4.320 0.000 0.000 0.208 364 K C 1.946 178.795 176.600 0.415 0.000 1.046 364 K CA 1.684 58.255 56.287 0.473 0.000 0.929 364 K CB -0.443 32.310 32.500 0.423 0.000 0.720 364 K HN 0.331 nan 8.250 nan 0.000 0.463 365 I N -0.037 120.616 120.570 0.137 0.000 2.193 365 I HA -0.217 3.954 4.170 0.000 0.000 0.240 365 I C 2.145 178.234 176.117 -0.048 0.000 1.084 365 I CA 1.538 62.824 61.300 -0.024 0.000 1.365 365 I CB -1.198 36.608 38.000 -0.323 0.000 1.064 365 I HN 0.087 nan 8.210 nan 0.000 0.410 366 Y N -0.055 120.316 120.300 0.118 0.000 2.293 366 Y HA -0.237 4.314 4.550 0.001 0.000 0.291 366 Y C 2.471 178.353 175.900 -0.031 0.000 1.137 366 Y CA 0.950 59.139 58.100 0.147 0.000 1.202 366 Y CB -1.183 37.388 38.460 0.185 0.000 0.990 366 Y HN 0.083 nan 8.280 nan 0.000 0.537 367 F N -0.772 119.059 119.950 -0.198 0.000 2.046 367 F HA -0.253 4.274 4.527 0.000 0.000 0.297 367 F C 1.758 177.327 175.800 -0.385 0.000 1.123 367 F CA 1.558 59.280 58.000 -0.464 0.000 1.199 367 F CB -0.799 37.934 39.000 -0.445 0.000 0.972 367 F HN 0.008 nan 8.300 nan 0.000 0.474 368 W N 0.707 122.033 121.300 0.043 0.000 2.364 368 W HA -0.158 4.503 4.660 0.001 0.000 0.281 368 W C 2.279 178.651 176.519 -0.245 0.000 1.219 368 W CA 1.040 58.312 57.345 -0.122 0.000 1.220 368 W CB -0.595 28.890 29.460 0.042 0.000 1.127 368 W HN 0.102 nan 8.180 nan 0.000 0.556 369 L N -0.750 120.453 121.223 -0.033 0.000 2.093 369 L HA -0.213 4.127 4.340 0.000 0.000 0.208 369 L C 2.403 179.140 176.870 -0.222 0.000 1.085 369 L CA 0.683 55.413 54.840 -0.184 0.000 0.755 369 L CB -0.934 40.941 42.059 -0.307 0.000 0.904 369 L HN 0.028 nan 8.230 nan 0.000 0.435 370 L N 0.128 121.217 121.223 -0.223 0.000 1.989 370 L HA -0.209 4.131 4.340 0.000 0.000 0.211 370 L C 2.646 179.414 176.870 -0.171 0.000 1.071 370 L CA 2.151 56.857 54.840 -0.224 0.000 0.749 370 L CB -0.760 40.779 42.059 -0.867 0.000 0.890 370 L HN 0.173 nan 8.230 nan 0.000 0.431 371 A N -0.468 122.034 122.820 -0.531 0.000 1.851 371 A HA -0.184 4.136 4.320 0.000 0.000 0.216 371 A C 2.479 179.954 177.584 -0.182 0.000 1.195 371 A CA 2.371 54.032 52.037 -0.628 0.000 0.622 371 A CB -1.455 17.087 19.000 -0.764 0.000 0.831 371 A HN 0.608 nan 8.150 nan 0.000 0.444 372 A N -0.254 122.502 122.820 -0.106 0.000 1.927 372 A HA -0.301 4.019 4.320 0.000 0.000 0.220 372 A C 1.862 179.441 177.584 -0.008 0.000 1.185 372 A CA 2.554 54.563 52.037 -0.046 0.000 0.639 372 A CB -0.908 18.055 19.000 -0.063 0.000 0.820 372 A HN 0.569 nan 8.150 nan 0.000 0.451 373 D N -1.484 118.928 120.400 0.020 0.000 2.087 373 D HA -0.184 4.457 4.640 0.000 0.000 0.192 373 D C 1.666 178.061 176.300 0.159 0.000 0.993 373 D CA 1.591 55.659 54.000 0.113 0.000 0.828 373 D CB -0.366 40.588 40.800 0.256 0.000 0.968 373 D HN 0.357 nan 8.370 nan 0.000 0.448 374 F N 0.543 120.558 119.950 0.107 0.000 2.087 374 F HA -0.267 4.260 4.527 0.000 0.000 0.299 374 F C 2.196 177.983 175.800 -0.022 0.000 1.100 374 F CA 1.443 59.475 58.000 0.054 0.000 1.226 374 F CB -0.511 38.623 39.000 0.224 0.000 0.983 374 F HN -0.083 nan 8.300 nan 0.000 0.479 375 V N 0.904 120.870 119.914 0.087 0.000 2.237 375 V HA -0.337 3.784 4.120 0.000 0.000 0.245 375 V C 2.437 178.535 176.094 0.006 0.000 1.046 375 V CA 2.281 64.591 62.300 0.017 0.000 1.007 375 V CB -0.751 31.093 31.823 0.035 0.000 0.638 375 V HN 0.382 nan 8.190 nan 0.000 0.445 376 I N -0.488 120.099 120.570 0.029 0.000 2.118 376 I HA -0.331 3.839 4.170 0.000 0.000 0.241 376 I C 2.487 178.681 176.117 0.129 0.000 1.070 376 I CA 1.785 63.151 61.300 0.109 0.000 1.327 376 I CB -0.518 37.523 38.000 0.069 0.000 1.034 376 I HN 0.250 nan 8.210 nan 0.000 0.405 377 L N 0.193 121.400 121.223 -0.027 0.000 2.021 377 L HA -0.303 4.037 4.340 0.000 0.000 0.215 377 L C 2.716 179.473 176.870 -0.189 0.000 1.074 377 L CA 2.078 56.829 54.840 -0.148 0.000 0.760 377 L CB -0.700 41.170 42.059 -0.315 0.000 0.889 377 L HN 0.342 nan 8.230 nan 0.000 0.433 378 T N -1.697 112.706 114.554 -0.252 0.000 2.643 378 T HA -0.291 4.059 4.350 0.000 0.000 0.264 378 T C 1.218 175.889 174.700 -0.048 0.000 1.045 378 T CA 1.690 63.676 62.100 -0.191 0.000 1.155 378 T CB -0.606 68.151 68.868 -0.185 0.000 0.863 378 T HN 0.552 nan 8.240 nan 0.000 0.420 379 W N 2.726 123.948 121.300 -0.130 0.000 2.290 379 W HA -0.273 4.388 4.660 0.000 0.000 0.311 379 W C 2.201 178.652 176.519 -0.114 0.000 1.238 379 W CA 2.017 59.302 57.345 -0.100 0.000 1.255 379 W CB -0.750 28.662 29.460 -0.080 0.000 1.145 379 W HN 0.171 nan 8.180 nan 0.000 0.506 380 V N -0.508 119.235 119.914 -0.285 0.000 2.548 380 V HA 0.022 4.142 4.120 0.000 0.000 0.249 380 V C 2.201 178.038 176.094 -0.428 0.000 1.055 380 V CA 1.931 63.901 62.300 -0.550 0.000 1.065 380 V CB -1.981 29.729 31.823 -0.188 0.000 0.681 380 V HN 0.311 nan 8.190 nan 0.000 0.462 381 G N 0.173 108.837 108.800 -0.227 0.000 2.479 381 G HA2 -0.084 3.876 3.960 0.000 0.000 0.220 381 G HA3 -0.084 3.876 3.960 0.000 0.000 0.220 381 G C 1.471 176.356 174.900 -0.025 0.000 1.115 381 G CA 0.943 46.034 45.100 -0.014 0.000 0.757 381 G HN 0.862 nan 8.290 nan 0.000 0.560 382 A N -1.029 121.638 122.820 -0.255 0.000 2.218 382 A HA 0.315 4.635 4.320 0.000 0.000 0.209 382 A C 1.414 178.757 177.584 -0.402 0.000 1.168 382 A CA 0.312 52.178 52.037 -0.286 0.000 0.804 382 A CB 0.084 18.897 19.000 -0.313 0.000 0.834 382 A HN 0.329 nan 8.150 nan 0.000 0.482 383 Q N -0.070 119.384 119.800 -0.576 0.000 2.207 383 Q HA 0.395 4.735 4.340 0.000 0.000 0.237 383 Q C -0.410 175.323 176.000 -0.444 0.000 0.998 383 Q CA -0.375 54.986 55.803 -0.737 0.000 0.951 383 Q CB 0.324 28.203 28.738 -1.431 0.000 1.213 383 Q HN 0.564 nan 8.270 nan 0.000 0.499 384 Q N -0.097 119.475 119.800 -0.380 0.000 2.316 384 Q HA 0.189 4.529 4.340 0.000 0.000 0.215 384 Q C 0.812 176.790 176.000 -0.036 0.000 1.020 384 Q CA 0.042 55.778 55.803 -0.112 0.000 0.970 384 Q CB 0.416 29.156 28.738 0.003 0.000 1.187 384 Q HN 0.649 nan 8.270 nan 0.000 0.546 385 T N -2.657 111.898 114.554 0.001 0.000 3.148 385 T HA -0.035 4.315 4.350 0.000 0.000 0.253 385 T C 0.936 175.679 174.700 0.073 0.000 1.134 385 T CA 0.358 62.457 62.100 -0.001 0.000 1.051 385 T CB -0.575 68.273 68.868 -0.033 0.000 0.959 385 T HN 0.733 nan 8.240 nan 0.000 0.525 386 T N 0.101 114.747 114.554 0.154 0.000 2.754 386 T HA 0.471 4.821 4.350 0.000 0.000 0.286 386 T C -0.105 174.730 174.700 0.224 0.000 0.997 386 T CA -0.999 61.215 62.100 0.191 0.000 0.982 386 T CB 0.347 69.332 68.868 0.194 0.000 1.027 386 T HN 0.160 nan 8.240 nan 0.000 0.529 387 F N 2.944 122.917 119.950 0.038 0.000 2.459 387 F HA 0.394 4.921 4.527 0.000 0.000 0.346 387 F C -1.242 174.417 175.800 -0.235 0.000 1.128 387 F CA -2.181 55.816 58.000 -0.004 0.000 1.268 387 F CB 0.963 39.997 39.000 0.057 0.000 1.161 387 F HN 0.423 nan 8.300 nan 0.000 0.583 388 P HA -0.067 nan 4.420 nan 0.000 0.255 388 P C 0.838 177.805 177.300 -0.555 0.000 1.248 388 P CA 0.827 63.137 63.100 -1.316 0.000 0.807 388 P CB -0.073 30.967 31.700 -1.101 0.000 1.150 389 Y N 3.007 123.219 120.300 -0.146 0.000 2.081 389 Y HA -0.259 4.291 4.550 0.000 0.000 0.280 389 Y C 2.429 178.259 175.900 -0.117 0.000 1.163 389 Y CA 1.728 59.766 58.100 -0.103 0.000 1.135 389 Y CB -1.893 36.488 38.460 -0.131 0.000 0.970 389 Y HN 0.097 nan 8.280 nan 0.000 0.498 390 D N -1.320 119.092 120.400 0.020 0.000 2.170 390 D HA -0.286 4.355 4.640 0.000 0.000 0.193 390 D C 1.841 177.985 176.300 -0.260 0.000 1.004 390 D CA 1.783 55.701 54.000 -0.138 0.000 0.860 390 D CB -1.208 39.511 40.800 -0.135 0.000 0.931 390 D HN 0.474 nan 8.370 nan 0.000 0.448 391 W N 0.881 122.084 121.300 -0.161 0.000 2.413 391 W HA 0.152 4.812 4.660 0.000 0.000 0.315 391 W C 2.763 179.208 176.519 -0.123 0.000 1.186 391 W CA 0.515 57.763 57.345 -0.161 0.000 1.326 391 W CB -0.457 28.859 29.460 -0.241 0.000 1.153 391 W HN -0.127 nan 8.180 nan 0.000 0.489 392 I N 0.533 121.178 120.570 0.124 0.000 2.113 392 I HA -0.461 3.709 4.170 0.000 0.000 0.242 392 I C 2.666 178.818 176.117 0.059 0.000 1.064 392 I CA 2.065 63.432 61.300 0.111 0.000 1.320 392 I CB -1.313 36.792 38.000 0.175 0.000 1.028 392 I HN 0.005 nan 8.210 nan 0.000 0.406 393 S N 1.325 117.021 115.700 -0.007 0.000 2.374 393 S HA -0.229 4.241 4.470 0.000 0.000 0.227 393 S C 2.066 176.585 174.600 -0.135 0.000 1.037 393 S CA 1.315 59.458 58.200 -0.095 0.000 1.024 393 S CB -1.060 62.025 63.200 -0.191 0.000 0.861 393 S HN 0.434 nan 8.310 nan 0.000 0.456 394 L N 0.910 122.021 121.223 -0.186 0.000 1.989 394 L HA -0.081 4.259 4.340 0.000 0.000 0.211 394 L C 2.676 179.540 176.870 -0.010 0.000 1.071 394 L CA 1.810 56.524 54.840 -0.209 0.000 0.749 394 L CB -0.525 41.328 42.059 -0.343 0.000 0.890 394 L HN 0.381 nan 8.230 nan 0.000 0.431 395 I N -0.572 120.040 120.570 0.070 0.000 2.163 395 I HA -0.306 3.864 4.170 0.000 0.000 0.243 395 I C 2.801 179.038 176.117 0.199 0.000 1.085 395 I CA 1.167 62.560 61.300 0.154 0.000 1.347 395 I CB -0.715 37.379 38.000 0.157 0.000 1.044 395 I HN 0.234 nan 8.210 nan 0.000 0.408 396 A N 0.914 123.825 122.820 0.152 0.000 1.873 396 A HA -0.236 4.085 4.320 0.000 0.000 0.218 396 A C 2.540 180.292 177.584 0.281 0.000 1.193 396 A CA 2.575 54.726 52.037 0.190 0.000 0.629 396 A CB -0.963 18.095 19.000 0.097 0.000 0.826 396 A HN 0.434 nan 8.150 nan 0.000 0.447 397 S N 0.152 115.972 115.700 0.200 0.000 2.370 397 S HA -0.086 4.385 4.470 0.000 0.000 0.226 397 S C 2.304 177.251 174.600 0.577 0.000 1.033 397 S CA 1.340 59.743 58.200 0.337 0.000 1.011 397 S CB -0.673 62.652 63.200 0.208 0.000 0.852 397 S HN 0.856 nan 8.310 nan 0.000 0.457 398 A N 1.077 124.149 122.820 0.419 0.000 1.859 398 A HA -0.195 4.125 4.320 0.000 0.000 0.217 398 A C 1.986 179.825 177.584 0.424 0.000 1.198 398 A CA 1.959 54.239 52.037 0.404 0.000 0.629 398 A CB -1.260 17.907 19.000 0.278 0.000 0.830 398 A HN 0.558 nan 8.150 nan 0.000 0.446 399 Y N -0.917 119.562 120.300 0.297 0.000 2.207 399 Y HA -0.269 4.282 4.550 0.001 0.000 0.287 399 Y C 2.291 178.376 175.900 0.307 0.000 1.156 399 Y CA 1.739 59.991 58.100 0.254 0.000 1.182 399 Y CB -0.365 38.213 38.460 0.196 0.000 0.979 399 Y HN 0.567 nan 8.280 nan 0.000 0.521 400 W N 0.328 121.748 121.300 0.201 0.000 2.311 400 W HA -0.351 4.309 4.660 0.000 0.000 0.326 400 W C 1.804 178.363 176.519 0.067 0.000 1.239 400 W CA 2.487 59.891 57.345 0.099 0.000 1.258 400 W CB -1.121 28.336 29.460 -0.006 0.000 1.165 400 W HN 0.175 nan 8.180 nan 0.000 0.466 401 F N 1.060 121.213 119.950 0.339 0.000 2.216 401 F HA -0.144 4.383 4.527 0.000 0.000 0.300 401 F C 2.753 178.577 175.800 0.039 0.000 1.085 401 F CA 1.866 59.991 58.000 0.207 0.000 1.326 401 F CB -1.501 37.624 39.000 0.209 0.000 1.027 401 F HN -0.078 nan 8.300 nan 0.000 0.497 402 A N -0.160 122.737 122.820 0.129 0.000 1.873 402 A HA -0.323 3.998 4.320 0.000 0.000 0.218 402 A C 2.099 179.517 177.584 -0.277 0.000 1.193 402 A CA 2.047 54.031 52.037 -0.089 0.000 0.629 402 A CB -1.606 17.284 19.000 -0.182 0.000 0.826 402 A HN 0.485 nan 8.150 nan 0.000 0.447 403 Y N -0.640 119.279 120.300 -0.635 0.000 2.097 403 Y HA -0.249 4.301 4.550 0.001 0.000 0.282 403 Y C 1.988 177.484 175.900 -0.673 0.000 1.152 403 Y CA 2.261 59.897 58.100 -0.775 0.000 1.136 403 Y CB -0.490 37.375 38.460 -0.993 0.000 0.975 403 Y HN 0.284 nan 8.280 nan 0.000 0.498 404 F N -0.844 118.859 119.950 -0.411 0.000 2.219 404 F HA -0.055 4.473 4.527 0.000 0.000 0.294 404 F C 2.068 177.723 175.800 -0.243 0.000 1.086 404 F CA 0.997 58.767 58.000 -0.383 0.000 1.330 404 F CB -0.460 38.369 39.000 -0.285 0.000 1.047 404 F HN -0.053 nan 8.300 nan 0.000 0.495 405 L N -1.185 120.065 121.223 0.043 0.000 2.418 405 L HA -0.007 4.333 4.340 0.000 0.000 0.218 405 L C 1.377 178.222 176.870 -0.041 0.000 1.125 405 L CA 0.194 55.057 54.840 0.039 0.000 0.835 405 L CB -0.105 42.027 42.059 0.121 0.000 0.953 405 L HN 0.026 nan 8.230 nan 0.000 0.454 406 V N -1.300 118.541 119.914 -0.122 0.000 3.668 406 V HA 0.036 4.156 4.120 0.000 0.000 0.199 406 V C 1.981 177.937 176.094 -0.230 0.000 1.241 406 V CA 0.001 62.218 62.300 -0.139 0.000 1.308 406 V CB 0.113 31.870 31.823 -0.109 0.000 1.411 406 V HN 0.030 nan 8.190 nan 0.000 0.535 407 I N 0.711 121.070 120.570 -0.351 0.000 2.113 407 I HA -0.371 3.799 4.170 0.000 0.000 0.242 407 I C 2.459 178.333 176.117 -0.405 0.000 1.057 407 I CA 2.107 63.126 61.300 -0.469 0.000 1.314 407 I CB -0.517 37.058 38.000 -0.708 0.000 1.022 407 I HN 0.279 nan 8.210 nan 0.000 0.408 408 L N 0.087 121.002 121.223 -0.513 0.000 2.017 408 L HA -0.146 4.194 4.340 0.000 0.000 0.208 408 L C -0.144 176.615 176.870 -0.185 0.000 1.073 408 L CA 1.756 56.368 54.840 -0.379 0.000 0.745 408 L CB -1.747 40.004 42.059 -0.513 0.000 0.894 408 L HN 0.178 nan 8.230 nan 0.000 0.432 409 P HA -0.183 nan 4.420 nan 0.000 0.215 409 P C 1.792 179.055 177.300 -0.061 0.000 1.157 409 P CA 1.531 64.585 63.100 -0.077 0.000 0.868 409 P CB 0.111 31.776 31.700 -0.058 0.000 0.788 410 I N -1.093 119.428 120.570 -0.082 0.000 2.090 410 I HA -0.231 3.939 4.170 0.000 0.000 0.236 410 I C 2.263 178.362 176.117 -0.031 0.000 1.064 410 I CA 1.350 62.617 61.300 -0.054 0.000 1.324 410 I CB -0.826 37.133 38.000 -0.068 0.000 1.044 410 I HN -0.150 nan 8.210 nan 0.000 0.399 411 L N 0.647 121.847 121.223 -0.037 0.000 2.230 411 L HA -0.262 4.078 4.340 0.000 0.000 0.217 411 L C 2.525 179.413 176.870 0.030 0.000 1.090 411 L CA 1.443 56.297 54.840 0.025 0.000 0.771 411 L CB -1.388 40.710 42.059 0.065 0.000 0.892 411 L HN 0.439 nan 8.230 nan 0.000 0.438 412 G N -0.566 108.237 108.800 0.004 0.000 2.440 412 G HA2 -0.206 3.755 3.960 0.000 0.000 0.218 412 G HA3 -0.206 3.755 3.960 0.000 0.000 0.218 412 G C 1.685 176.589 174.900 0.006 0.000 1.154 412 G CA 0.902 46.004 45.100 0.003 0.000 0.767 412 G HN 0.520 nan 8.290 nan 0.000 0.552 413 A N -0.056 122.767 122.820 0.006 0.000 1.956 413 A HA 0.386 4.706 4.320 0.000 0.000 0.212 413 A C 2.316 179.910 177.584 0.016 0.000 1.188 413 A CA 0.434 52.476 52.037 0.009 0.000 0.675 413 A CB -0.041 18.963 19.000 0.007 0.000 0.845 413 A HN 0.299 nan 8.150 nan 0.000 0.455 414 I N -0.066 120.517 120.570 0.022 0.000 2.406 414 I HA -0.072 4.098 4.170 0.000 0.000 0.249 414 I C 1.205 177.348 176.117 0.044 0.000 1.122 414 I CA 0.351 61.670 61.300 0.033 0.000 1.431 414 I CB -0.154 37.868 38.000 0.037 0.000 1.087 414 I HN 0.416 nan 8.210 nan 0.000 0.424 415 E N 2.170 122.403 120.200 0.055 0.000 2.437 415 E HA -0.088 4.262 4.350 0.000 0.000 0.263 415 E C -0.124 176.503 176.600 0.046 0.000 1.030 415 E CA 0.185 56.624 56.400 0.066 0.000 0.934 415 E CB 0.549 30.300 29.700 0.084 0.000 0.943 415 E HN -0.114 nan 8.360 nan 0.000 0.444 416 K N 5.563 125.993 120.400 0.049 0.000 2.347 416 K HA 0.303 4.623 4.320 0.000 0.000 0.262 416 K C -2.364 174.259 176.600 0.039 0.000 1.052 416 K CA -2.096 54.213 56.287 0.036 0.000 0.946 416 K CB 1.213 33.733 32.500 0.034 0.000 1.220 416 K HN 0.470 nan 8.250 nan 0.000 0.450 417 P HA 0.130 nan 4.420 nan 0.000 0.276 417 P C 0.223 177.536 177.300 0.022 0.000 1.230 417 P CA -0.427 62.690 63.100 0.028 0.000 0.776 417 P CB 1.143 32.849 31.700 0.009 0.000 0.888 418 V N 2.458 122.399 119.914 0.045 0.000 3.385 418 V HA 0.315 4.435 4.120 0.000 0.000 0.301 418 V C 0.943 176.987 176.094 -0.083 0.000 1.082 418 V CA -0.296 62.012 62.300 0.013 0.000 1.085 418 V CB 0.772 32.640 31.823 0.076 0.000 1.152 418 V HN 0.774 nan 8.190 nan 0.000 0.465 419 A N 3.580 126.311 122.820 -0.150 0.000 2.302 419 A HA 0.579 4.900 4.320 0.000 0.000 0.295 419 A C -2.074 175.221 177.584 -0.482 0.000 1.235 419 A CA -1.210 50.690 52.037 -0.228 0.000 0.876 419 A CB -0.225 18.687 19.000 -0.147 0.000 1.133 419 A HN 0.619 nan 8.150 nan 0.000 0.533 420 P HA 0.350 nan 4.420 nan 0.000 0.280 420 P C -2.637 174.443 177.300 -0.366 0.000 1.244 420 P CA -1.216 61.430 63.100 -0.757 0.000 0.784 420 P CB 0.300 31.784 31.700 -0.361 0.000 0.913 421 P HA -0.078 nan 4.420 nan 0.000 0.269 421 P C 0.912 178.164 177.300 -0.080 0.000 1.200 421 P CA 0.276 63.303 63.100 -0.121 0.000 0.779 421 P CB 0.254 31.931 31.700 -0.039 0.000 0.841 422 A N 0.799 123.587 122.820 -0.053 0.000 1.970 422 A HA 0.107 4.427 4.320 0.000 0.000 0.216 422 A C 0.931 178.502 177.584 -0.022 0.000 1.170 422 A CA 1.883 53.897 52.037 -0.038 0.000 0.645 422 A CB -0.666 18.315 19.000 -0.032 0.000 0.816 422 A HN 0.658 nan 8.150 nan 0.000 0.447 423 T N -4.503 110.045 114.554 -0.011 0.000 2.883 423 T HA 0.568 4.919 4.350 0.000 0.000 0.301 423 T C 0.739 175.447 174.700 0.013 0.000 1.158 423 T CA -0.342 61.758 62.100 -0.001 0.000 1.007 423 T CB 0.804 69.673 68.868 0.001 0.000 1.186 423 T HN 0.074 nan 8.240 nan 0.000 0.499 424 I N 0.573 121.147 120.570 0.007 0.000 2.315 424 I HA -0.073 4.097 4.170 0.000 0.000 0.248 424 I C 2.689 178.831 176.117 0.042 0.000 1.117 424 I CA 1.538 62.843 61.300 0.009 0.000 1.404 424 I CB -0.446 37.532 38.000 -0.036 0.000 1.071 424 I HN 0.911 nan 8.210 nan 0.000 0.419 425 E N 1.888 122.108 120.200 0.033 0.000 2.049 425 E HA -0.326 4.024 4.350 0.000 0.000 0.198 425 E C 2.166 178.833 176.600 0.112 0.000 1.007 425 E CA 1.891 58.340 56.400 0.082 0.000 0.809 425 E CB -0.188 29.540 29.700 0.047 0.000 0.749 425 E HN 0.458 nan 8.360 nan 0.000 0.450 426 E N 0.494 120.730 120.200 0.059 0.000 2.065 426 E HA -0.314 4.036 4.350 0.000 0.000 0.201 426 E C 2.010 178.643 176.600 0.056 0.000 1.016 426 E CA 1.917 58.343 56.400 0.042 0.000 0.818 426 E CB -0.356 29.355 29.700 0.018 0.000 0.749 426 E HN 0.412 nan 8.360 nan 0.000 0.453 427 D N -0.565 119.881 120.400 0.076 0.000 2.097 427 D HA -0.183 4.457 4.640 0.000 0.000 0.195 427 D C 2.030 178.402 176.300 0.120 0.000 0.989 427 D CA 0.996 55.051 54.000 0.091 0.000 0.827 427 D CB -0.359 40.506 40.800 0.108 0.000 0.966 427 D HN 0.169 nan 8.370 nan 0.000 0.456 428 F N 2.682 122.613 119.950 -0.031 0.000 2.043 428 F HA -0.258 4.270 4.527 0.000 0.000 0.297 428 F C 2.194 177.967 175.800 -0.047 0.000 1.118 428 F CA 1.788 59.758 58.000 -0.049 0.000 1.202 428 F CB -0.929 38.033 39.000 -0.063 0.000 0.965 428 F HN 0.000 nan 8.300 nan 0.000 0.482 429 N N 0.978 119.643 118.700 -0.059 0.000 2.091 429 N HA -0.185 4.555 4.740 0.000 0.000 0.193 429 N C 1.185 176.594 175.510 -0.168 0.000 1.021 429 N CA 1.080 54.023 53.050 -0.180 0.000 0.862 429 N CB -1.085 37.370 38.487 -0.053 0.000 1.018 429 N HN 0.378 nan 8.380 nan 0.000 0.429 430 A N 0.000 122.770 122.820 -0.083 0.000 2.254 430 A HA 0.000 4.320 4.320 0.000 0.000 0.244 430 A CA 0.000 52.001 52.037 -0.060 0.000 0.836 430 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 430 A HN 0.000 nan 8.150 nan 0.000 0.486