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 1z7x_1_Y DATA FIRST_RESID 1 DATA SEQUENCE SLDIQSLDIQ CEELSDARWA ELLPLLQQCQ VVRLDDCGLT EARCKDISSA DATA SEQUENCE LRVNPALAEL NLRSNELGDV GVHCVLQGLQ TPSCKIQKLS LQNCCLTGAG DATA SEQUENCE CGVLSSTLRT LPTLQELHLS DNLLGDAGLQ LLCEGLLDPQ CRLEKLQLEY DATA SEQUENCE CSLSAASCEP LASVLRAKPD FKELTVSNND INEAGVRVLC QGLKDSPCQL DATA SEQUENCE EALKLESCGV TSDNCRDLCG IVASKASLRE LALGSNKLGD VGMAELCPGL DATA SEQUENCE LHPSSRLRTL WIWECGITAK GCGDLCRVLR AKESLKELSL AGNELGDEGA DATA SEQUENCE RLLCETLLEP GCQLESLWVK SCSFTAACCS HFSSVLAQNR FLLELQISNN DATA SEQUENCE RLEDAGVREL CQGLGQPGSV LRVLWLADCD VSDSSCSSLA ATLLANHSLR DATA SEQUENCE ELDLSNNCLG DAGILQLVES VRQPGCLLEQ LVLYDIYWSE EMEDRLQALE DATA SEQUENCE KDKPSLRVIS 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.598 174.600 -0.004 0.000 1.055 1 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 1 S CB 0.000 63.197 63.200 -0.004 0.000 0.593 2 L N 1.298 122.519 121.223 -0.004 0.000 2.422 2 L HA 0.695 5.035 4.340 0.000 0.000 0.264 2 L C -1.690 175.177 176.870 -0.006 0.000 0.984 2 L CA -0.513 54.324 54.840 -0.005 0.000 0.819 2 L CB 2.156 44.213 42.059 -0.004 0.000 1.330 2 L HN 0.907 nan 8.230 nan 0.000 0.410 3 D N 4.052 124.447 120.400 -0.007 0.000 2.358 3 D HA 0.418 5.058 4.640 0.000 0.000 0.253 3 D C -1.120 175.175 176.300 -0.009 0.000 1.288 3 D CA -0.120 53.876 54.000 -0.008 0.000 0.950 3 D CB 1.021 41.815 40.800 -0.010 0.000 1.197 3 D HN 0.271 nan 8.370 nan 0.000 0.550 4 I N 2.981 123.546 120.570 -0.008 0.000 2.355 4 I HA 0.313 4.483 4.170 0.000 0.000 0.288 4 I C 0.073 176.185 176.117 -0.008 0.000 0.999 4 I CA -0.480 60.815 61.300 -0.007 0.000 1.163 4 I CB 1.577 39.574 38.000 -0.006 0.000 1.316 4 I HN 0.112 nan 8.210 nan 0.000 0.454 5 Q N 4.330 124.124 119.800 -0.010 0.000 2.394 5 Q HA 0.687 5.027 4.340 0.000 0.000 0.273 5 Q C -0.981 175.013 176.000 -0.010 0.000 1.089 5 Q CA -0.846 54.950 55.803 -0.011 0.000 0.812 5 Q CB 2.977 31.705 28.738 -0.015 0.000 1.353 5 Q HN 0.766 nan 8.270 nan 0.000 0.438 6 S N 1.083 116.778 115.700 -0.008 0.000 2.569 6 S HA 0.838 5.309 4.470 0.000 0.000 0.280 6 S C -1.638 172.960 174.600 -0.004 0.000 1.111 6 S CA -0.788 57.408 58.200 -0.006 0.000 0.887 6 S CB 1.766 64.965 63.200 -0.001 0.000 1.095 6 S HN 0.480 nan 8.310 nan 0.000 0.476 7 L N 1.520 122.742 121.223 -0.001 0.000 2.464 7 L HA 0.822 5.162 4.340 0.000 0.000 0.266 7 L C -2.090 174.789 176.870 0.014 0.000 0.965 7 L CA -0.091 54.751 54.840 0.003 0.000 0.833 7 L CB 2.145 44.200 42.059 -0.005 0.000 1.296 7 L HN 0.941 nan 8.230 nan 0.000 0.405 8 D N 5.311 125.724 120.400 0.021 0.000 2.375 8 D HA 0.418 5.059 4.640 0.000 0.000 0.241 8 D C -1.462 174.859 176.300 0.034 0.000 1.361 8 D CA 0.002 54.018 54.000 0.027 0.000 0.995 8 D CB 0.857 41.671 40.800 0.023 0.000 1.312 8 D HN 0.507 nan 8.370 nan 0.000 0.576 9 I N 2.588 123.185 120.570 0.044 0.000 2.433 9 I HA 0.367 4.537 4.170 0.000 0.000 0.292 9 I C -0.146 176.000 176.117 0.047 0.000 1.001 9 I CA -0.680 60.650 61.300 0.050 0.000 1.119 9 I CB 1.946 39.987 38.000 0.068 0.000 1.289 9 I HN 0.137 nan 8.210 nan 0.000 0.438 10 Q N 4.302 124.126 119.800 0.041 0.000 2.323 10 Q HA 0.377 4.717 4.340 0.000 0.000 0.271 10 Q C -0.688 175.331 176.000 0.032 0.000 1.048 10 Q CA -0.725 55.100 55.803 0.035 0.000 0.792 10 Q CB 2.454 31.212 28.738 0.033 0.000 1.280 10 Q HN 0.866 nan 8.270 nan 0.000 0.441 11 C N 1.880 121.195 119.300 0.026 0.000 4.354 11 C HA -0.151 4.309 4.460 0.000 0.000 0.307 11 C C 0.228 175.230 174.990 0.021 0.000 1.318 11 C CA 0.900 59.930 59.018 0.019 0.000 2.060 11 C CB -2.058 25.693 27.740 0.019 0.000 1.283 11 C HN 0.865 nan 8.230 nan 0.000 0.723 12 E N -0.046 120.169 120.200 0.025 0.000 2.275 12 E HA 0.396 4.746 4.350 0.000 0.000 0.270 12 E C -0.382 176.232 176.600 0.024 0.000 0.882 12 E CA -0.553 55.864 56.400 0.029 0.000 0.758 12 E CB 1.020 30.745 29.700 0.041 0.000 1.195 12 E HN 0.324 nan 8.360 nan 0.000 0.419 13 E N 3.587 123.798 120.200 0.018 0.000 2.290 13 E HA 0.216 4.566 4.350 0.000 0.000 0.277 13 E C -0.713 175.904 176.600 0.028 0.000 1.035 13 E CA -0.101 56.305 56.400 0.011 0.000 0.873 13 E CB 0.754 30.455 29.700 0.003 0.000 1.029 13 E HN 0.447 nan 8.360 nan 0.000 0.419 14 L N 2.972 124.213 121.223 0.030 0.000 2.294 14 L HA 0.232 4.572 4.340 0.000 0.000 0.283 14 L C 0.762 177.668 176.870 0.061 0.000 1.015 14 L CA -0.800 54.086 54.840 0.077 0.000 0.831 14 L CB 1.344 43.495 42.059 0.154 0.000 1.217 14 L HN 0.419 nan 8.230 nan 0.000 0.420 15 S N 0.207 115.949 115.700 0.070 0.000 2.580 15 S HA 0.030 4.500 4.470 0.000 0.000 0.266 15 S C 0.689 175.353 174.600 0.106 0.000 1.354 15 S CA -0.511 57.726 58.200 0.062 0.000 1.008 15 S CB 1.024 64.256 63.200 0.053 0.000 0.898 15 S HN 0.588 nan 8.310 nan 0.000 0.555 16 D N 1.481 121.933 120.400 0.085 0.000 2.149 16 D HA -0.047 4.594 4.640 0.000 0.000 0.198 16 D C 2.139 178.531 176.300 0.153 0.000 0.990 16 D CA 1.782 55.858 54.000 0.126 0.000 0.839 16 D CB -0.762 40.085 40.800 0.079 0.000 0.948 16 D HN 0.707 nan 8.370 nan 0.000 0.460 17 A N 0.551 123.432 122.820 0.101 0.000 1.897 17 A HA -0.124 4.196 4.320 0.000 0.000 0.215 17 A C 2.180 179.813 177.584 0.082 0.000 1.181 17 A CA 1.469 53.553 52.037 0.077 0.000 0.620 17 A CB -0.338 18.691 19.000 0.049 0.000 0.821 17 A HN 0.068 nan 8.150 nan 0.000 0.443 18 R N -0.709 119.852 120.500 0.101 0.000 2.091 18 R HA -0.175 4.165 4.340 0.000 0.000 0.238 18 R C 2.062 178.445 176.300 0.137 0.000 1.136 18 R CA 1.937 58.097 56.100 0.101 0.000 0.959 18 R CB -0.714 29.650 30.300 0.106 0.000 0.856 18 R HN 0.785 nan 8.270 nan 0.000 0.437 19 W N 0.632 121.932 121.300 0.001 0.000 2.358 19 W HA -0.199 4.462 4.660 0.000 0.000 0.303 19 W C 1.648 178.167 176.519 -0.000 0.000 1.208 19 W CA 1.595 58.941 57.345 0.001 0.000 1.274 19 W CB -0.304 29.156 29.460 0.000 0.000 1.138 19 W HN 0.298 nan 8.180 nan 0.000 0.515 20 A N 0.859 123.685 122.820 0.010 0.000 1.940 20 A HA -0.261 4.060 4.320 0.000 0.000 0.219 20 A C 1.757 179.255 177.584 -0.143 0.000 1.176 20 A CA 2.055 54.036 52.037 -0.092 0.000 0.631 20 A CB -0.936 18.068 19.000 0.007 0.000 0.814 20 A HN 0.497 nan 8.150 nan 0.000 0.446 21 E N -0.397 119.749 120.200 -0.090 0.000 2.152 21 E HA -0.046 4.304 4.350 0.000 0.000 0.192 21 E C 1.869 178.388 176.600 -0.135 0.000 0.983 21 E CA 0.794 57.143 56.400 -0.086 0.000 0.818 21 E CB -0.170 29.508 29.700 -0.037 0.000 0.758 21 E HN 0.617 nan 8.360 nan 0.000 0.467 22 L N 0.253 121.356 121.223 -0.199 0.000 2.131 22 L HA -0.104 4.236 4.340 0.000 0.000 0.206 22 L C 2.311 178.962 176.870 -0.364 0.000 1.087 22 L CA 0.121 54.815 54.840 -0.245 0.000 0.767 22 L CB -0.183 41.729 42.059 -0.245 0.000 0.917 22 L HN 0.195 nan 8.230 nan 0.000 0.441 23 L N 0.976 121.864 121.223 -0.557 0.000 2.043 23 L HA -0.152 4.188 4.340 0.000 0.000 0.212 23 L C -0.404 176.294 176.870 -0.288 0.000 1.075 23 L CA 2.277 56.782 54.840 -0.558 0.000 0.752 23 L CB -1.585 40.102 42.059 -0.620 0.000 0.891 23 L HN 0.087 nan 8.230 nan 0.000 0.432 24 P HA -0.172 nan 4.420 nan 0.000 0.217 24 P C 1.828 179.062 177.300 -0.110 0.000 1.148 24 P CA 1.101 64.123 63.100 -0.130 0.000 0.828 24 P CB -0.013 31.625 31.700 -0.103 0.000 0.783 25 L N -1.345 119.805 121.223 -0.122 0.000 2.141 25 L HA -0.107 4.233 4.340 0.000 0.000 0.209 25 L C 2.294 179.112 176.870 -0.087 0.000 1.094 25 L CA 1.455 56.241 54.840 -0.091 0.000 0.763 25 L CB -1.619 40.390 42.059 -0.084 0.000 0.908 25 L HN -0.002 nan 8.230 nan 0.000 0.437 26 L N -0.772 120.379 121.223 -0.120 0.000 2.353 26 L HA -0.214 4.126 4.340 0.000 0.000 0.220 26 L C 2.181 179.013 176.870 -0.063 0.000 1.133 26 L CA 1.232 56.018 54.840 -0.091 0.000 0.798 26 L CB -0.664 41.323 42.059 -0.121 0.000 0.922 26 L HN 0.507 nan 8.230 nan 0.000 0.445 27 Q N -1.033 118.726 119.800 -0.068 0.000 2.432 27 Q HA -0.092 4.248 4.340 0.000 0.000 0.205 27 Q C 1.567 177.544 176.000 -0.037 0.000 0.945 27 Q CA 0.623 56.397 55.803 -0.049 0.000 0.924 27 Q CB 0.347 29.055 28.738 -0.051 0.000 1.016 27 Q HN 0.627 nan 8.270 nan 0.000 0.503 28 Q N -1.341 118.436 119.800 -0.039 0.000 2.404 28 Q HA 0.136 4.476 4.340 0.000 0.000 0.262 28 Q C 0.216 176.201 176.000 -0.026 0.000 0.846 28 Q CA -0.095 55.690 55.803 -0.031 0.000 0.978 28 Q CB 1.106 29.824 28.738 -0.033 0.000 1.156 28 Q HN 0.157 nan 8.270 nan 0.000 0.548 29 C N 2.327 121.611 119.300 -0.028 0.000 2.593 29 C HA 0.047 4.507 4.460 0.000 0.000 0.409 29 C C 1.812 176.792 174.990 -0.016 0.000 1.304 29 C CA -0.042 58.964 59.018 -0.021 0.000 2.007 29 C CB 0.669 28.396 27.740 -0.022 0.000 2.614 29 C HN 0.541 nan 8.230 nan 0.000 0.585 30 Q N 1.847 121.639 119.800 -0.013 0.000 2.119 30 Q HA -0.021 4.319 4.340 0.000 0.000 0.201 30 Q C -0.042 175.951 176.000 -0.011 0.000 0.972 30 Q CA 1.358 57.154 55.803 -0.011 0.000 0.847 30 Q CB 0.320 29.052 28.738 -0.010 0.000 0.903 30 Q HN 0.690 nan 8.270 nan 0.000 0.433 31 V N 1.266 121.175 119.914 -0.009 0.000 2.483 31 V HA 0.364 4.485 4.120 0.000 0.000 0.297 31 V C -0.904 175.187 176.094 -0.004 0.000 1.027 31 V CA -0.742 61.553 62.300 -0.008 0.000 0.855 31 V CB 1.905 33.725 31.823 -0.005 0.000 0.995 31 V HN -0.082 nan 8.190 nan 0.000 0.424 32 V N 5.711 125.625 119.914 -0.001 0.000 2.407 32 V HA 0.566 4.686 4.120 0.000 0.000 0.291 32 V C -0.097 176.007 176.094 0.017 0.000 1.018 32 V CA -0.618 61.687 62.300 0.008 0.000 0.842 32 V CB 1.781 33.610 31.823 0.009 0.000 0.996 32 V HN 0.866 nan 8.190 nan 0.000 0.426 33 R N 5.331 125.845 120.500 0.024 0.000 2.439 33 R HA 0.720 5.061 4.340 0.000 0.000 0.310 33 R C -1.701 174.629 176.300 0.050 0.000 0.955 33 R CA -0.647 55.472 56.100 0.032 0.000 0.853 33 R CB 1.305 31.620 30.300 0.025 0.000 1.171 33 R HN 0.708 nan 8.270 nan 0.000 0.449 34 L N 4.474 125.734 121.223 0.062 0.000 2.462 34 L HA 0.323 4.663 4.340 0.000 0.000 0.255 34 L C -0.979 175.926 176.870 0.058 0.000 1.076 34 L CA -0.720 54.169 54.840 0.082 0.000 0.920 34 L CB 1.552 43.692 42.059 0.135 0.000 1.214 34 L HN 0.534 nan 8.230 nan 0.000 0.472 35 D N 2.978 123.406 120.400 0.046 0.000 2.349 35 D HA 0.141 4.782 4.640 0.000 0.000 0.232 35 D C 0.105 176.421 176.300 0.026 0.000 1.071 35 D CA 0.007 54.028 54.000 0.034 0.000 0.832 35 D CB 1.305 42.126 40.800 0.034 0.000 1.086 35 D HN 0.454 nan 8.370 nan 0.000 0.504 36 D N 2.819 123.228 120.400 0.015 0.000 2.697 36 D HA -0.214 4.426 4.640 0.000 0.000 0.238 36 D C -0.430 175.873 176.300 0.004 0.000 1.152 36 D CA 0.378 54.381 54.000 0.005 0.000 0.666 36 D CB -1.293 39.510 40.800 0.005 0.000 1.037 36 D HN 0.319 nan 8.370 nan 0.000 0.423 37 C N 0.644 119.944 119.300 -0.000 0.000 2.742 37 C HA 0.656 5.116 4.460 0.000 0.000 0.283 37 C C 1.798 176.760 174.990 -0.047 0.000 1.451 37 C CA -0.100 58.916 59.018 -0.002 0.000 1.785 37 C CB -0.429 27.331 27.740 0.034 0.000 2.664 37 C HN 0.876 nan 8.230 nan 0.000 0.544 38 G N 1.859 110.627 108.800 -0.053 0.000 2.321 38 G HA2 -0.262 3.698 3.960 0.000 0.000 0.287 38 G HA3 -0.262 3.698 3.960 0.000 0.000 0.287 38 G C 0.039 174.860 174.900 -0.133 0.000 1.018 38 G CA 0.038 45.091 45.100 -0.079 0.000 0.855 38 G HN 0.652 nan 8.290 nan 0.000 0.507 39 L N 0.693 121.832 121.223 -0.141 0.000 2.456 39 L HA 0.435 4.775 4.340 0.000 0.000 0.272 39 L C 1.390 178.166 176.870 -0.156 0.000 1.189 39 L CA 0.539 55.256 54.840 -0.206 0.000 0.846 39 L CB 0.453 42.415 42.059 -0.162 0.000 1.111 39 L HN 0.451 nan 8.230 nan 0.000 0.475 40 T N -2.176 112.262 114.554 -0.193 0.000 2.905 40 T HA 0.271 4.622 4.350 0.000 0.000 0.283 40 T C 0.752 175.391 174.700 -0.101 0.000 1.031 40 T CA -0.885 61.135 62.100 -0.133 0.000 1.002 40 T CB 1.573 70.352 68.868 -0.148 0.000 1.200 40 T HN 0.555 nan 8.240 nan 0.000 0.560 41 E N 0.191 120.352 120.200 -0.065 0.000 2.077 41 E HA -0.134 4.216 4.350 0.000 0.000 0.193 41 E C 2.398 178.975 176.600 -0.040 0.000 0.989 41 E CA 1.216 57.593 56.400 -0.039 0.000 0.800 41 E CB -0.398 29.288 29.700 -0.023 0.000 0.746 41 E HN 0.726 nan 8.360 nan 0.000 0.452 42 A N 1.318 124.104 122.820 -0.057 0.000 1.972 42 A HA -0.187 4.133 4.320 0.000 0.000 0.219 42 A C 2.008 179.574 177.584 -0.031 0.000 1.169 42 A CA 1.202 53.216 52.037 -0.039 0.000 0.635 42 A CB -0.349 18.621 19.000 -0.050 0.000 0.810 42 A HN 0.103 nan 8.150 nan 0.000 0.446 43 R N -1.228 119.195 120.500 -0.127 0.000 2.193 43 R HA -0.047 4.293 4.340 0.000 0.000 0.213 43 R C 2.031 178.370 176.300 0.065 0.000 1.055 43 R CA 1.102 57.111 56.100 -0.151 0.000 0.995 43 R CB -0.590 29.291 30.300 -0.698 0.000 0.893 43 R HN 0.599 nan 8.270 nan 0.000 0.459 44 C N 1.050 120.360 119.300 0.017 0.000 2.440 44 C HA -0.034 4.426 4.460 0.000 0.000 0.278 44 C C 2.319 177.349 174.990 0.067 0.000 1.295 44 C CA 0.656 59.704 59.018 0.051 0.000 1.738 44 C CB -0.468 27.283 27.740 0.018 0.000 1.987 44 C HN 0.440 nan 8.230 nan 0.000 0.492 45 K N 0.823 121.255 120.400 0.054 0.000 2.097 45 K HA -0.120 4.200 4.320 0.000 0.000 0.205 45 K C 1.451 178.101 176.600 0.083 0.000 1.050 45 K CA 1.381 57.696 56.287 0.048 0.000 0.938 45 K CB -0.347 32.171 32.500 0.030 0.000 0.718 45 K HN 0.452 nan 8.250 nan 0.000 0.442 46 D N 1.381 121.871 120.400 0.150 0.000 2.106 46 D HA -0.166 4.474 4.640 0.000 0.000 0.191 46 D C 1.950 178.345 176.300 0.158 0.000 0.997 46 D CA 1.176 55.297 54.000 0.201 0.000 0.834 46 D CB -0.353 40.715 40.800 0.447 0.000 0.956 46 D HN 0.133 nan 8.370 nan 0.000 0.448 47 I N 0.360 121.060 120.570 0.218 0.000 2.179 47 I HA -0.280 3.890 4.170 0.000 0.000 0.242 47 I C 2.560 178.722 176.117 0.075 0.000 1.088 47 I CA 0.990 62.383 61.300 0.155 0.000 1.357 47 I CB -0.293 37.821 38.000 0.191 0.000 1.051 47 I HN -0.053 nan 8.210 nan 0.000 0.409 48 S N 0.546 116.284 115.700 0.063 0.000 2.359 48 S HA -0.254 4.217 4.470 0.000 0.000 0.223 48 S C 2.255 176.866 174.600 0.019 0.000 1.039 48 S CA 2.362 60.580 58.200 0.030 0.000 1.042 48 S CB -0.395 62.812 63.200 0.013 0.000 0.915 48 S HN 0.623 nan 8.310 nan 0.000 0.439 49 S N 1.281 116.995 115.700 0.022 0.000 2.406 49 S HA 0.167 4.637 4.470 0.000 0.000 0.228 49 S C 2.058 176.657 174.600 -0.001 0.000 1.020 49 S CA 0.935 59.141 58.200 0.009 0.000 0.965 49 S CB -0.721 62.486 63.200 0.010 0.000 0.798 49 S HN 0.657 nan 8.310 nan 0.000 0.488 50 A N 2.264 125.082 122.820 -0.004 0.000 1.873 50 A HA 0.213 4.533 4.320 0.000 0.000 0.215 50 A C 2.285 179.857 177.584 -0.020 0.000 1.186 50 A CA 1.205 53.226 52.037 -0.027 0.000 0.616 50 A CB -0.836 18.130 19.000 -0.057 0.000 0.823 50 A HN 0.511 nan 8.150 nan 0.000 0.442 51 L N -0.205 121.014 121.223 -0.006 0.000 2.141 51 L HA -0.192 4.148 4.340 0.000 0.000 0.209 51 L C 2.751 179.618 176.870 -0.004 0.000 1.094 51 L CA 1.592 56.430 54.840 -0.004 0.000 0.763 51 L CB -0.556 41.507 42.059 0.008 0.000 0.908 51 L HN 0.603 nan 8.230 nan 0.000 0.437 52 R N 1.122 121.621 120.500 -0.003 0.000 2.159 52 R HA -0.114 4.226 4.340 0.000 0.000 0.237 52 R C 1.632 177.929 176.300 -0.006 0.000 1.131 52 R CA 1.769 57.867 56.100 -0.003 0.000 0.982 52 R CB -0.612 29.686 30.300 -0.002 0.000 0.868 52 R HN 0.378 nan 8.270 nan 0.000 0.453 53 V N -1.539 118.369 119.914 -0.010 0.000 3.596 53 V HA 0.190 4.310 4.120 0.000 0.000 0.289 53 V C 0.099 176.184 176.094 -0.014 0.000 1.336 53 V CA -0.547 61.746 62.300 -0.012 0.000 1.137 53 V CB -0.507 31.307 31.823 -0.015 0.000 0.966 53 V HN 0.205 nan 8.190 nan 0.000 0.428 54 N N 3.066 121.757 118.700 -0.014 0.000 2.420 54 N HA 0.367 5.107 4.740 0.000 0.000 0.249 54 N C -1.607 173.896 175.510 -0.011 0.000 1.033 54 N CA -1.834 51.206 53.050 -0.015 0.000 0.944 54 N CB 1.928 40.405 38.487 -0.017 0.000 1.113 54 N HN 0.253 nan 8.380 nan 0.000 0.502 55 P HA 0.188 nan 4.420 nan 0.000 0.261 55 P C 0.231 177.526 177.300 -0.009 0.000 1.268 55 P CA 0.157 63.251 63.100 -0.009 0.000 0.833 55 P CB 0.507 32.203 31.700 -0.008 0.000 1.231 56 A N -0.296 122.518 122.820 -0.010 0.000 2.197 56 A HA 0.176 4.496 4.320 0.000 0.000 0.210 56 A C 0.891 178.469 177.584 -0.010 0.000 1.180 56 A CA -0.127 51.904 52.037 -0.010 0.000 0.846 56 A CB -0.670 18.323 19.000 -0.012 0.000 0.884 56 A HN 0.189 nan 8.150 nan 0.000 0.487 57 L N 0.758 121.975 121.223 -0.010 0.000 2.654 57 L HA 0.265 4.606 4.340 0.000 0.000 0.271 57 L C 1.110 177.974 176.870 -0.011 0.000 1.169 57 L CA 0.735 55.569 54.840 -0.010 0.000 0.947 57 L CB 0.713 42.767 42.059 -0.008 0.000 1.232 57 L HN 0.241 nan 8.230 nan 0.000 0.486 58 A N 4.234 127.047 122.820 -0.013 0.000 2.055 58 A HA 0.212 4.532 4.320 0.000 0.000 0.205 58 A C 0.650 178.221 177.584 -0.022 0.000 1.235 58 A CA 0.122 52.150 52.037 -0.016 0.000 0.822 58 A CB 0.036 19.028 19.000 -0.015 0.000 0.903 58 A HN 0.682 nan 8.150 nan 0.000 0.473 59 E N -0.175 120.012 120.200 -0.022 0.000 2.263 59 E HA 0.521 4.871 4.350 0.000 0.000 0.268 59 E C -2.196 174.390 176.600 -0.024 0.000 0.884 59 E CA -0.623 55.758 56.400 -0.032 0.000 0.766 59 E CB 1.542 31.222 29.700 -0.033 0.000 1.196 59 E HN 0.153 nan 8.360 nan 0.000 0.416 60 L N 4.949 126.154 121.223 -0.030 0.000 2.376 60 L HA 0.541 4.881 4.340 0.000 0.000 0.275 60 L C -1.728 175.127 176.870 -0.024 0.000 0.987 60 L CA -0.436 54.395 54.840 -0.015 0.000 0.828 60 L CB 1.567 43.624 42.059 -0.004 0.000 1.249 60 L HN 0.504 nan 8.230 nan 0.000 0.409 61 N N 5.656 124.352 118.700 -0.007 0.000 2.491 61 N HA 0.371 5.111 4.740 0.000 0.000 0.274 61 N C -0.878 174.646 175.510 0.023 0.000 1.023 61 N CA -0.298 52.749 53.050 -0.004 0.000 0.902 61 N CB 1.271 39.755 38.487 -0.004 0.000 1.267 61 N HN 0.781 nan 8.380 nan 0.000 0.503 62 L N 2.411 123.650 121.223 0.026 0.000 3.110 62 L HA 0.358 4.698 4.340 0.000 0.000 0.266 62 L C 1.093 177.982 176.870 0.032 0.000 1.257 62 L CA -0.433 54.428 54.840 0.036 0.000 1.038 62 L CB 0.100 42.183 42.059 0.039 0.000 1.395 62 L HN 0.326 nan 8.230 nan 0.000 0.566 63 R N 0.552 121.073 120.500 0.034 0.000 2.619 63 R HA -0.073 4.267 4.340 0.000 0.000 0.268 63 R C 0.597 176.911 176.300 0.024 0.000 0.990 63 R CA 0.879 57.001 56.100 0.036 0.000 1.092 63 R CB 0.310 30.636 30.300 0.045 0.000 0.935 63 R HN 0.276 nan 8.270 nan 0.000 0.415 64 S N 1.746 117.456 115.700 0.017 0.000 3.749 64 S HA -0.143 4.327 4.470 0.000 0.000 0.348 64 S C -1.094 173.505 174.600 -0.002 0.000 1.045 64 S CA 0.843 59.046 58.200 0.005 0.000 1.051 64 S CB -1.114 62.088 63.200 0.004 0.000 0.898 64 S HN 0.756 nan 8.310 nan 0.000 0.472 65 N N 1.215 119.913 118.700 -0.003 0.000 2.238 65 N HA 0.190 4.931 4.740 0.000 0.000 0.302 65 N C -0.568 174.932 175.510 -0.017 0.000 1.072 65 N CA -0.648 52.392 53.050 -0.017 0.000 0.792 65 N CB 1.320 39.795 38.487 -0.020 0.000 1.425 65 N HN 0.330 nan 8.380 nan 0.000 0.478 66 E N 2.389 122.573 120.200 -0.026 0.000 1.972 66 E HA 0.103 4.453 4.350 0.000 0.000 0.292 66 E C 0.996 177.583 176.600 -0.021 0.000 1.193 66 E CA -0.007 56.380 56.400 -0.021 0.000 1.228 66 E CB 0.085 29.770 29.700 -0.025 0.000 1.167 66 E HN 0.427 nan 8.360 nan 0.000 0.479 67 L N 0.808 122.024 121.223 -0.012 0.000 2.072 67 L HA 0.025 4.365 4.340 0.000 0.000 0.205 67 L C 1.306 178.177 176.870 0.002 0.000 1.079 67 L CA 0.810 55.646 54.840 -0.007 0.000 0.752 67 L CB -0.791 41.272 42.059 0.006 0.000 0.906 67 L HN 0.572 nan 8.230 nan 0.000 0.436 68 G N 0.135 108.940 108.800 0.008 0.000 2.781 68 G HA2 -0.230 3.730 3.960 0.000 0.000 0.683 68 G HA3 -0.230 3.730 3.960 0.000 0.000 0.683 68 G C -0.066 174.849 174.900 0.025 0.000 1.390 68 G CA -0.150 44.958 45.100 0.012 0.000 0.850 68 G HN 0.174 nan 8.290 nan 0.000 0.557 69 D N -0.675 119.740 120.400 0.024 0.000 2.190 69 D HA -0.116 4.524 4.640 0.000 0.000 0.200 69 D C 2.616 178.955 176.300 0.065 0.000 0.992 69 D CA 1.776 55.795 54.000 0.031 0.000 0.854 69 D CB -0.038 40.769 40.800 0.012 0.000 0.936 69 D HN 0.336 nan 8.370 nan 0.000 0.462 70 V N 0.749 120.702 119.914 0.064 0.000 2.302 70 V HA -0.050 4.070 4.120 0.000 0.000 0.243 70 V C 2.651 178.793 176.094 0.081 0.000 1.036 70 V CA 1.733 64.089 62.300 0.093 0.000 1.020 70 V CB -1.027 30.831 31.823 0.058 0.000 0.657 70 V HN 0.182 nan 8.190 nan 0.000 0.453 71 G N 0.292 109.119 108.800 0.044 0.000 2.513 71 G HA2 -0.257 3.703 3.960 0.000 0.000 0.219 71 G HA3 -0.257 3.703 3.960 0.000 0.000 0.219 71 G C 1.693 176.622 174.900 0.048 0.000 1.160 71 G CA 1.542 46.660 45.100 0.030 0.000 0.767 71 G HN 0.348 nan 8.290 nan 0.000 0.571 72 V N 0.201 120.152 119.914 0.063 0.000 2.295 72 V HA -0.214 3.906 4.120 0.000 0.000 0.246 72 V C 2.377 178.542 176.094 0.119 0.000 1.049 72 V CA 2.251 64.594 62.300 0.073 0.000 1.024 72 V CB -0.742 31.117 31.823 0.060 0.000 0.648 72 V HN 0.654 nan 8.190 nan 0.000 0.447 73 H N -1.238 117.839 119.070 0.012 0.000 2.319 73 H HA -0.293 4.264 4.556 0.000 0.000 0.297 73 H C 2.527 177.864 175.328 0.015 0.000 1.097 73 H CA 1.976 58.032 56.048 0.013 0.000 1.285 73 H CB -0.007 29.761 29.762 0.010 0.000 1.368 73 H HN 0.539 nan 8.280 nan 0.000 0.495 74 C N 0.245 119.532 119.300 -0.021 0.000 2.393 74 C HA -0.153 4.308 4.460 0.000 0.000 0.276 74 C C 2.896 177.872 174.990 -0.023 0.000 1.215 74 C CA 1.268 60.237 59.018 -0.082 0.000 1.743 74 C CB -1.195 26.523 27.740 -0.037 0.000 2.044 74 C HN 0.508 nan 8.230 nan 0.000 0.464 75 V N 1.216 121.144 119.914 0.022 0.000 2.332 75 V HA -0.226 3.894 4.120 0.000 0.000 0.248 75 V C 2.429 178.542 176.094 0.032 0.000 1.055 75 V CA 2.354 64.674 62.300 0.034 0.000 1.038 75 V CB -0.697 31.153 31.823 0.045 0.000 0.651 75 V HN 0.615 nan 8.190 nan 0.000 0.450 76 L N -0.590 120.662 121.223 0.049 0.000 2.131 76 L HA -0.248 4.092 4.340 0.000 0.000 0.210 76 L C 2.647 179.542 176.870 0.043 0.000 1.092 76 L CA 1.546 56.420 54.840 0.057 0.000 0.759 76 L CB -0.647 41.468 42.059 0.095 0.000 0.903 76 L HN 0.385 nan 8.230 nan 0.000 0.435 77 Q N -0.171 119.641 119.800 0.020 0.000 2.170 77 Q HA -0.143 4.198 4.340 0.000 0.000 0.203 77 Q C 2.350 178.350 176.000 -0.000 0.000 0.976 77 Q CA 1.298 57.099 55.803 -0.002 0.000 0.858 77 Q CB -0.425 28.277 28.738 -0.060 0.000 0.907 77 Q HN 0.614 nan 8.270 nan 0.000 0.433 78 G N 0.848 109.650 108.800 0.002 0.000 2.462 78 G HA2 -0.216 3.744 3.960 0.000 0.000 0.220 78 G HA3 -0.216 3.744 3.960 0.000 0.000 0.220 78 G C 1.265 176.171 174.900 0.009 0.000 1.121 78 G CA 0.582 45.686 45.100 0.006 0.000 0.758 78 G HN 0.225 nan 8.290 nan 0.000 0.559 79 L N 0.368 121.599 121.223 0.014 0.000 2.446 79 L HA 0.102 4.442 4.340 0.000 0.000 0.219 79 L C 1.696 178.574 176.870 0.014 0.000 1.116 79 L CA 0.098 54.946 54.840 0.014 0.000 0.844 79 L CB -0.068 42.001 42.059 0.017 0.000 0.970 79 L HN 0.399 nan 8.230 nan 0.000 0.457 80 Q N 1.619 121.428 119.800 0.015 0.000 3.027 80 Q HA 0.157 4.497 4.340 0.000 0.000 0.260 80 Q C -0.233 175.773 176.000 0.010 0.000 1.379 80 Q CA -0.167 55.645 55.803 0.015 0.000 1.038 80 Q CB -0.402 28.348 28.738 0.021 0.000 1.578 80 Q HN 0.218 nan 8.270 nan 0.000 0.571 81 T N -2.487 112.072 114.554 0.008 0.000 2.908 81 T HA 0.460 4.810 4.350 0.000 0.000 0.290 81 T C -2.245 172.458 174.700 0.005 0.000 1.034 81 T CA -2.061 60.042 62.100 0.005 0.000 1.010 81 T CB 1.826 70.695 68.868 0.002 0.000 1.068 81 T HN 0.002 nan 8.240 nan 0.000 0.481 82 P HA 0.050 nan 4.420 nan 0.000 0.226 82 P C 1.141 178.442 177.300 0.003 0.000 1.153 82 P CA 0.456 63.558 63.100 0.004 0.000 0.777 82 P CB 0.081 31.784 31.700 0.003 0.000 0.794 83 S N -2.841 112.860 115.700 0.002 0.000 2.557 83 S HA 0.075 4.546 4.470 0.000 0.000 0.223 83 S C 0.678 175.278 174.600 0.000 0.000 0.969 83 S CA -0.601 57.599 58.200 0.000 0.000 0.927 83 S CB -1.414 61.786 63.200 -0.001 0.000 0.806 83 S HN 0.108 nan 8.310 nan 0.000 0.489 84 C N 2.680 121.980 119.300 0.001 0.000 2.590 84 C HA 0.281 4.741 4.460 0.000 0.000 0.411 84 C C 1.074 176.065 174.990 0.001 0.000 1.420 84 C CA 0.311 59.330 59.018 0.001 0.000 1.643 84 C CB -0.751 26.992 27.740 0.004 0.000 2.528 84 C HN 0.650 nan 8.230 nan 0.000 0.606 85 K N 4.578 124.977 120.400 -0.002 0.000 2.536 85 K HA 0.216 4.536 4.320 0.000 0.000 0.203 85 K C 0.333 176.930 176.600 -0.006 0.000 1.063 85 K CA -0.286 55.999 56.287 -0.003 0.000 1.063 85 K CB 0.351 32.849 32.500 -0.004 0.000 0.843 85 K HN 0.796 nan 8.250 nan 0.000 0.521 86 I N 1.925 122.492 120.570 -0.006 0.000 2.826 86 I HA -0.237 3.933 4.170 0.000 0.000 0.295 86 I C 0.658 176.767 176.117 -0.013 0.000 1.213 86 I CA 0.985 62.279 61.300 -0.010 0.000 1.436 86 I CB 0.693 38.689 38.000 -0.008 0.000 1.348 86 I HN 0.307 nan 8.210 nan 0.000 0.570 87 Q N 5.631 125.418 119.800 -0.021 0.000 2.391 87 Q HA 0.258 4.598 4.340 0.000 0.000 0.243 87 Q C -0.581 175.395 176.000 -0.041 0.000 0.874 87 Q CA 0.358 56.145 55.803 -0.026 0.000 0.950 87 Q CB 0.574 29.298 28.738 -0.024 0.000 1.103 87 Q HN 0.546 nan 8.270 nan 0.000 0.544 88 K N 0.763 121.130 120.400 -0.055 0.000 2.482 88 K HA 0.560 4.880 4.320 0.000 0.000 0.251 88 K C -1.809 174.727 176.600 -0.106 0.000 0.936 88 K CA -0.713 55.516 56.287 -0.096 0.000 0.791 88 K CB 2.621 35.055 32.500 -0.110 0.000 1.213 88 K HN -0.145 nan 8.250 nan 0.000 0.428 89 L N 1.341 122.481 121.223 -0.138 0.000 2.439 89 L HA 0.461 4.801 4.340 0.000 0.000 0.270 89 L C -1.295 175.483 176.870 -0.154 0.000 0.972 89 L CA -0.096 54.682 54.840 -0.104 0.000 0.836 89 L CB 2.168 44.201 42.059 -0.044 0.000 1.255 89 L HN 0.629 nan 8.230 nan 0.000 0.404 90 S N 5.353 120.978 115.700 -0.126 0.000 2.449 90 S HA 0.664 5.134 4.470 0.000 0.000 0.310 90 S C -0.184 174.423 174.600 0.011 0.000 1.096 90 S CA -0.525 57.633 58.200 -0.068 0.000 1.095 90 S CB 0.684 63.848 63.200 -0.059 0.000 1.007 90 S HN 0.705 nan 8.310 nan 0.000 0.474 91 L N 4.363 125.613 121.223 0.045 0.000 3.218 91 L HA 0.392 4.732 4.340 0.000 0.000 0.279 91 L C 0.668 177.574 176.870 0.060 0.000 1.287 91 L CA -0.263 54.605 54.840 0.047 0.000 1.024 91 L CB 0.330 42.414 42.059 0.043 0.000 1.409 91 L HN 0.671 nan 8.230 nan 0.000 0.580 92 Q N 1.442 121.289 119.800 0.079 0.000 2.330 92 Q HA -0.054 4.286 4.340 0.000 0.000 0.279 92 Q C 0.476 176.505 176.000 0.049 0.000 1.024 92 Q CA 0.237 56.087 55.803 0.079 0.000 0.900 92 Q CB 0.372 29.170 28.738 0.101 0.000 1.221 92 Q HN 0.297 nan 8.270 nan 0.000 0.396 93 N N 2.442 121.165 118.700 0.038 0.000 2.738 93 N HA -0.191 4.549 4.740 0.000 0.000 0.249 93 N C -1.200 174.318 175.510 0.013 0.000 1.047 93 N CA 0.758 53.818 53.050 0.016 0.000 0.707 93 N CB -1.356 37.134 38.487 0.004 0.000 0.937 93 N HN 0.608 nan 8.380 nan 0.000 0.545 94 C N -0.404 118.908 119.300 0.019 0.000 3.000 94 C HA 0.348 4.808 4.460 0.000 0.000 0.286 94 C C 1.156 176.152 174.990 0.011 0.000 1.343 94 C CA 0.132 59.159 59.018 0.015 0.000 1.742 94 C CB -1.717 26.037 27.740 0.023 0.000 2.200 94 C HN 0.816 nan 8.230 nan 0.000 0.621 95 C N 1.324 120.629 119.300 0.009 0.000 4.365 95 C HA -0.167 4.293 4.460 0.000 0.000 0.299 95 C C 0.504 175.501 174.990 0.012 0.000 1.409 95 C CA 0.044 59.066 59.018 0.007 0.000 2.007 95 C CB -3.215 24.526 27.740 0.000 0.000 1.264 95 C HN 0.638 nan 8.230 nan 0.000 0.777 96 L N 1.065 122.298 121.223 0.018 0.000 2.397 96 L HA 0.565 4.906 4.340 0.000 0.000 0.271 96 L C 0.909 177.789 176.870 0.016 0.000 1.148 96 L CA 0.672 55.523 54.840 0.018 0.000 0.825 96 L CB 0.774 42.847 42.059 0.024 0.000 1.117 96 L HN 0.601 nan 8.230 nan 0.000 0.456 97 T N -1.736 112.824 114.554 0.011 0.000 2.888 97 T HA 0.402 4.753 4.350 0.000 0.000 0.288 97 T C 1.115 175.818 174.700 0.005 0.000 1.063 97 T CA -0.133 61.972 62.100 0.009 0.000 1.010 97 T CB 1.593 70.465 68.868 0.005 0.000 1.214 97 T HN 0.624 nan 8.240 nan 0.000 0.533 98 G N 0.153 108.956 108.800 0.004 0.000 2.475 98 G HA2 -0.067 3.894 3.960 0.000 0.000 0.220 98 G HA3 -0.067 3.894 3.960 0.000 0.000 0.220 98 G C 1.696 176.592 174.900 -0.008 0.000 1.125 98 G CA 1.041 46.141 45.100 -0.000 0.000 0.755 98 G HN 1.207 nan 8.290 nan 0.000 0.565 99 A N 0.615 123.430 122.820 -0.008 0.000 1.940 99 A HA 0.145 4.465 4.320 0.000 0.000 0.219 99 A C 2.545 180.112 177.584 -0.027 0.000 1.176 99 A CA 1.995 54.023 52.037 -0.015 0.000 0.631 99 A CB -0.712 18.282 19.000 -0.010 0.000 0.814 99 A HN 0.602 nan 8.150 nan 0.000 0.446 100 G N -2.269 106.517 108.800 -0.022 0.000 2.985 100 G HA2 0.091 4.051 3.960 0.000 0.000 0.209 100 G HA3 0.091 4.051 3.960 0.000 0.000 0.209 100 G C 1.067 175.945 174.900 -0.037 0.000 1.165 100 G CA 0.780 45.858 45.100 -0.035 0.000 0.776 100 G HN 0.496 nan 8.290 nan 0.000 0.541 101 C N 0.350 119.635 119.300 -0.025 0.000 2.464 101 C HA 0.161 4.621 4.460 0.000 0.000 0.278 101 C C 3.074 178.047 174.990 -0.028 0.000 1.375 101 C CA 0.457 59.464 59.018 -0.017 0.000 1.761 101 C CB -0.669 27.067 27.740 -0.007 0.000 1.944 101 C HN 0.490 nan 8.230 nan 0.000 0.509 102 G N 1.546 110.321 108.800 -0.042 0.000 2.480 102 G HA2 -0.213 3.748 3.960 0.000 0.000 0.216 102 G HA3 -0.213 3.748 3.960 0.000 0.000 0.216 102 G C 1.764 176.626 174.900 -0.065 0.000 1.200 102 G CA 1.822 46.893 45.100 -0.048 0.000 0.782 102 G HN 0.492 nan 8.290 nan 0.000 0.554 103 V N -0.634 119.210 119.914 -0.116 0.000 2.343 103 V HA -0.070 4.050 4.120 0.000 0.000 0.247 103 V C 2.616 178.672 176.094 -0.064 0.000 1.051 103 V CA 1.750 63.957 62.300 -0.156 0.000 1.036 103 V CB -0.784 30.788 31.823 -0.418 0.000 0.654 103 V HN 0.218 nan 8.190 nan 0.000 0.451 104 L N 1.316 122.515 121.223 -0.040 0.000 2.017 104 L HA -0.079 4.261 4.340 0.000 0.000 0.208 104 L C 2.767 179.641 176.870 0.006 0.000 1.073 104 L CA 2.437 57.277 54.840 0.000 0.000 0.745 104 L CB -1.093 40.970 42.059 0.007 0.000 0.894 104 L HN 0.477 nan 8.230 nan 0.000 0.432 105 S N -1.351 114.347 115.700 -0.002 0.000 2.365 105 S HA -0.227 4.243 4.470 0.000 0.000 0.225 105 S C 2.134 176.736 174.600 0.005 0.000 1.039 105 S CA 1.884 60.086 58.200 0.003 0.000 1.033 105 S CB -0.462 62.735 63.200 -0.004 0.000 0.887 105 S HN 0.651 nan 8.310 nan 0.000 0.447 106 S N 0.405 116.103 115.700 -0.002 0.000 2.368 106 S HA -0.069 4.401 4.470 0.000 0.000 0.224 106 S C 2.019 176.629 174.600 0.016 0.000 1.029 106 S CA 1.665 59.867 58.200 0.004 0.000 0.988 106 S CB -0.839 62.359 63.200 -0.003 0.000 0.838 106 S HN 0.718 nan 8.310 nan 0.000 0.462 107 T N 2.780 117.347 114.554 0.023 0.000 2.720 107 T HA -0.039 4.311 4.350 0.000 0.000 0.268 107 T C 1.604 176.322 174.700 0.030 0.000 1.037 107 T CA 0.831 62.952 62.100 0.035 0.000 1.144 107 T CB -0.355 68.543 68.868 0.050 0.000 0.864 107 T HN 0.108 nan 8.240 nan 0.000 0.444 108 L N 1.348 122.587 121.223 0.027 0.000 2.187 108 L HA -0.028 4.312 4.340 0.000 0.000 0.213 108 L C 2.332 179.219 176.870 0.027 0.000 1.100 108 L CA 1.525 56.383 54.840 0.029 0.000 0.765 108 L CB -0.883 41.195 42.059 0.032 0.000 0.904 108 L HN 0.269 nan 8.230 nan 0.000 0.437 109 R N -1.337 119.177 120.500 0.023 0.000 2.235 109 R HA -0.033 4.307 4.340 0.000 0.000 0.213 109 R C 1.558 177.870 176.300 0.020 0.000 1.059 109 R CA 1.281 57.393 56.100 0.020 0.000 0.997 109 R CB -0.358 29.952 30.300 0.016 0.000 0.884 109 R HN 0.517 nan 8.270 nan 0.000 0.462 110 T N -2.578 111.989 114.554 0.022 0.000 3.092 110 T HA 0.268 4.618 4.350 0.000 0.000 0.258 110 T C 0.529 175.241 174.700 0.019 0.000 1.031 110 T CA -0.209 61.903 62.100 0.020 0.000 0.925 110 T CB 0.231 69.112 68.868 0.022 0.000 1.036 110 T HN -0.007 nan 8.240 nan 0.000 0.544 111 L N 2.341 123.576 121.223 0.021 0.000 2.581 111 L HA 0.390 4.731 4.340 0.000 0.000 0.241 111 L C -1.757 175.124 176.870 0.018 0.000 1.265 111 L CA -2.088 52.763 54.840 0.018 0.000 0.954 111 L CB 1.451 43.521 42.059 0.018 0.000 1.269 111 L HN -0.065 nan 8.230 nan 0.000 0.475 112 P HA -0.147 nan 4.420 nan 0.000 0.222 112 P C 1.437 178.745 177.300 0.013 0.000 1.147 112 P CA 1.187 64.297 63.100 0.017 0.000 0.790 112 P CB 0.001 31.710 31.700 0.015 0.000 0.780 113 T N -3.032 111.527 114.554 0.009 0.000 2.995 113 T HA -0.021 4.329 4.350 0.000 0.000 0.269 113 T C 0.897 175.598 174.700 0.000 0.000 1.091 113 T CA -0.150 61.952 62.100 0.004 0.000 1.128 113 T CB -0.938 67.931 68.868 0.001 0.000 0.891 113 T HN -0.074 nan 8.240 nan 0.000 0.492 114 L N 2.113 123.339 121.223 0.004 0.000 2.534 114 L HA 0.206 4.546 4.340 0.000 0.000 0.271 114 L C 1.084 177.953 176.870 -0.001 0.000 1.178 114 L CA 0.501 55.340 54.840 -0.000 0.000 0.907 114 L CB 0.419 42.482 42.059 0.007 0.000 1.164 114 L HN 0.194 nan 8.230 nan 0.000 0.482 115 Q N 2.814 122.603 119.800 -0.018 0.000 2.391 115 Q HA 0.199 4.539 4.340 0.000 0.000 0.243 115 Q C -0.237 175.733 176.000 -0.049 0.000 0.874 115 Q CA 0.141 55.925 55.803 -0.032 0.000 0.950 115 Q CB 1.106 29.820 28.738 -0.040 0.000 1.103 115 Q HN 0.733 nan 8.270 nan 0.000 0.544 116 E N 0.850 121.026 120.200 -0.040 0.000 2.263 116 E HA 0.444 4.795 4.350 0.000 0.000 0.268 116 E C -2.021 174.558 176.600 -0.035 0.000 0.884 116 E CA -0.609 55.771 56.400 -0.033 0.000 0.766 116 E CB 1.640 31.315 29.700 -0.042 0.000 1.196 116 E HN -0.058 nan 8.360 nan 0.000 0.416 117 L N 4.824 126.080 121.223 0.055 0.000 2.439 117 L HA 0.431 4.772 4.340 0.000 0.000 0.270 117 L C -1.867 175.142 176.870 0.232 0.000 0.972 117 L CA -0.286 54.596 54.840 0.069 0.000 0.836 117 L CB 1.565 43.669 42.059 0.075 0.000 1.255 117 L HN 0.707 nan 8.230 nan 0.000 0.404 118 H N 6.201 125.283 119.070 0.020 0.000 2.511 118 H HA 0.466 5.022 4.556 0.000 0.000 0.328 118 H C 0.032 175.379 175.328 0.031 0.000 1.044 118 H CA -0.705 55.358 56.048 0.025 0.000 1.212 118 H CB 1.694 31.467 29.762 0.019 0.000 1.428 118 H HN 0.589 nan 8.280 nan 0.000 0.483 119 L N 1.940 123.254 121.223 0.152 0.000 3.069 119 L HA 0.172 4.512 4.340 0.000 0.000 0.271 119 L C 0.287 177.209 176.870 0.086 0.000 1.201 119 L CA -0.065 54.835 54.840 0.100 0.000 1.015 119 L CB 0.689 42.796 42.059 0.079 0.000 1.371 119 L HN 0.437 nan 8.230 nan 0.000 0.574 120 S N 0.671 116.424 115.700 0.089 0.000 2.566 120 S HA -0.029 4.441 4.470 0.000 0.000 0.280 120 S C 0.396 175.056 174.600 0.099 0.000 1.343 120 S CA 0.025 58.281 58.200 0.093 0.000 1.036 120 S CB 0.250 63.499 63.200 0.082 0.000 0.866 120 S HN 0.402 nan 8.310 nan 0.000 0.526 121 D N 0.916 121.395 120.400 0.132 0.000 2.800 121 D HA -0.141 4.499 4.640 0.000 0.000 0.232 121 D C -0.789 175.542 176.300 0.052 0.000 1.137 121 D CA 0.708 54.758 54.000 0.083 0.000 0.718 121 D CB -1.337 39.475 40.800 0.020 0.000 1.084 121 D HN 0.477 nan 8.370 nan 0.000 0.432 122 N N 0.665 119.403 118.700 0.064 0.000 2.258 122 N HA 0.259 4.999 4.740 0.000 0.000 0.299 122 N C -0.338 175.201 175.510 0.047 0.000 1.047 122 N CA -0.700 52.377 53.050 0.045 0.000 0.814 122 N CB 1.773 40.286 38.487 0.043 0.000 1.413 122 N HN -0.021 nan 8.380 nan 0.000 0.478 123 L N 3.619 124.863 121.223 0.034 0.000 2.382 123 L HA 0.195 4.535 4.340 0.000 0.000 0.259 123 L C 0.825 177.711 176.870 0.027 0.000 1.291 123 L CA 0.448 55.307 54.840 0.033 0.000 1.176 123 L CB -1.106 40.967 42.059 0.023 0.000 1.373 123 L HN 0.582 nan 8.230 nan 0.000 0.426 124 L N 2.450 123.692 121.223 0.030 0.000 2.127 124 L HA 0.256 4.596 4.340 0.000 0.000 0.203 124 L C 1.420 178.300 176.870 0.016 0.000 1.080 124 L CA 0.603 55.456 54.840 0.022 0.000 0.768 124 L CB -0.810 41.264 42.059 0.025 0.000 0.924 124 L HN 0.783 nan 8.230 nan 0.000 0.444 125 G N 0.326 109.137 108.800 0.018 0.000 2.846 125 G HA2 -0.254 3.706 3.960 0.000 0.000 0.660 125 G HA3 -0.254 3.706 3.960 0.000 0.000 0.660 125 G C -0.036 174.868 174.900 0.007 0.000 1.464 125 G CA -0.101 45.006 45.100 0.012 0.000 0.891 125 G HN 0.181 nan 8.290 nan 0.000 0.552 126 D N 0.257 120.658 120.400 0.003 0.000 2.123 126 D HA -0.058 4.582 4.640 0.000 0.000 0.196 126 D C 2.780 179.078 176.300 -0.003 0.000 0.992 126 D CA 2.352 56.351 54.000 -0.002 0.000 0.833 126 D CB -0.520 40.278 40.800 -0.004 0.000 0.954 126 D HN 0.881 nan 8.370 nan 0.000 0.455 127 A N 0.837 123.655 122.820 -0.002 0.000 1.877 127 A HA -0.021 4.300 4.320 0.000 0.000 0.216 127 A C 2.420 180.001 177.584 -0.004 0.000 1.186 127 A CA 2.162 54.196 52.037 -0.004 0.000 0.620 127 A CB -1.161 17.837 19.000 -0.004 0.000 0.822 127 A HN 0.300 nan 8.150 nan 0.000 0.443 128 G N -0.160 108.639 108.800 -0.001 0.000 2.446 128 G HA2 -0.230 3.730 3.960 0.000 0.000 0.217 128 G HA3 -0.230 3.730 3.960 0.000 0.000 0.217 128 G C 1.519 176.419 174.900 0.001 0.000 1.168 128 G CA 1.089 46.189 45.100 -0.000 0.000 0.771 128 G HN 0.430 nan 8.290 nan 0.000 0.551 129 L N 0.725 121.949 121.223 0.003 0.000 2.046 129 L HA -0.087 4.254 4.340 0.000 0.000 0.208 129 L C 2.740 179.608 176.870 -0.003 0.000 1.077 129 L CA 2.841 57.683 54.840 0.003 0.000 0.747 129 L CB -0.892 41.169 42.059 0.002 0.000 0.896 129 L HN 0.425 nan 8.230 nan 0.000 0.432 130 Q N 0.138 119.934 119.800 -0.007 0.000 2.124 130 Q HA -0.233 4.107 4.340 0.000 0.000 0.202 130 Q C 2.058 178.053 176.000 -0.010 0.000 0.977 130 Q CA 1.925 57.721 55.803 -0.011 0.000 0.850 130 Q CB -0.771 27.960 28.738 -0.011 0.000 0.901 130 Q HN 0.432 nan 8.270 nan 0.000 0.429 131 L N -0.151 121.067 121.223 -0.008 0.000 2.083 131 L HA -0.051 4.289 4.340 0.000 0.000 0.209 131 L C 2.066 178.932 176.870 -0.006 0.000 1.083 131 L CA 1.640 56.475 54.840 -0.008 0.000 0.752 131 L CB -0.772 41.281 42.059 -0.010 0.000 0.899 131 L HN 0.422 nan 8.230 nan 0.000 0.433 132 L N -1.767 119.455 121.223 -0.002 0.000 2.046 132 L HA -0.286 4.054 4.340 0.000 0.000 0.208 132 L C 2.591 179.462 176.870 0.003 0.000 1.077 132 L CA 1.405 56.248 54.840 0.005 0.000 0.747 132 L CB -0.753 41.313 42.059 0.012 0.000 0.896 132 L HN 0.333 nan 8.230 nan 0.000 0.432 133 C N -0.117 119.180 119.300 -0.005 0.000 2.419 133 C HA -0.129 4.331 4.460 0.000 0.000 0.281 133 C C 2.549 177.531 174.990 -0.014 0.000 1.336 133 C CA 0.457 59.466 59.018 -0.015 0.000 1.770 133 C CB -0.824 26.900 27.740 -0.027 0.000 1.929 133 C HN 0.515 nan 8.230 nan 0.000 0.509 134 E N 0.603 120.797 120.200 -0.010 0.000 2.058 134 E HA -0.147 4.204 4.350 0.000 0.000 0.194 134 E C 2.394 178.992 176.600 -0.004 0.000 0.997 134 E CA 1.507 57.902 56.400 -0.009 0.000 0.801 134 E CB -0.380 29.315 29.700 -0.008 0.000 0.746 134 E HN 0.741 nan 8.360 nan 0.000 0.450 135 G N 1.141 109.941 108.800 0.001 0.000 2.421 135 G HA2 -0.235 3.725 3.960 0.000 0.000 0.216 135 G HA3 -0.235 3.725 3.960 0.000 0.000 0.216 135 G C 1.558 176.466 174.900 0.013 0.000 1.171 135 G CA 0.530 45.635 45.100 0.008 0.000 0.775 135 G HN 0.094 nan 8.290 nan 0.000 0.543 136 L N 0.009 121.239 121.223 0.012 0.000 2.127 136 L HA -0.015 4.325 4.340 0.000 0.000 0.211 136 L C 2.817 179.691 176.870 0.006 0.000 1.089 136 L CA 0.428 55.279 54.840 0.019 0.000 0.757 136 L CB -0.392 41.674 42.059 0.011 0.000 0.899 136 L HN 0.181 nan 8.230 nan 0.000 0.434 137 L N -0.808 120.411 121.223 -0.007 0.000 2.201 137 L HA -0.105 4.236 4.340 0.000 0.000 0.212 137 L C 1.115 177.985 176.870 -0.001 0.000 1.105 137 L CA 0.246 55.078 54.840 -0.012 0.000 0.775 137 L CB -0.412 41.636 42.059 -0.018 0.000 0.913 137 L HN 0.257 nan 8.230 nan 0.000 0.440 138 D N 1.188 121.592 120.400 0.005 0.000 2.531 138 D HA -0.047 4.593 4.640 0.000 0.000 0.239 138 D C -1.500 174.809 176.300 0.014 0.000 1.144 138 D CA -1.071 52.934 54.000 0.009 0.000 0.869 138 D CB 1.382 42.189 40.800 0.012 0.000 1.160 138 D HN 0.018 nan 8.370 nan 0.000 0.484 139 P HA -0.114 nan 4.420 nan 0.000 0.231 139 P C 0.862 178.174 177.300 0.020 0.000 1.158 139 P CA 0.660 63.769 63.100 0.016 0.000 0.763 139 P CB 0.451 32.158 31.700 0.012 0.000 0.805 140 Q N -1.000 118.811 119.800 0.019 0.000 2.389 140 Q HA -0.012 4.329 4.340 0.000 0.000 0.204 140 Q C 0.855 176.871 176.000 0.027 0.000 0.944 140 Q CA 0.217 56.032 55.803 0.021 0.000 0.908 140 Q CB -0.870 27.878 28.738 0.017 0.000 1.002 140 Q HN 0.236 nan 8.270 nan 0.000 0.493 141 C N 2.594 121.913 119.300 0.032 0.000 2.566 141 C HA 0.213 4.673 4.460 0.000 0.000 0.393 141 C C 1.006 176.030 174.990 0.057 0.000 1.309 141 C CA -0.342 58.702 59.018 0.044 0.000 1.801 141 C CB -0.305 27.463 27.740 0.047 0.000 2.493 141 C HN 0.238 nan 8.230 nan 0.000 0.575 142 R N 4.874 125.408 120.500 0.057 0.000 2.613 142 R HA 0.234 4.575 4.340 0.000 0.000 0.361 142 R C 0.040 176.381 176.300 0.068 0.000 1.072 142 R CA -0.258 55.878 56.100 0.060 0.000 1.089 142 R CB -0.329 29.992 30.300 0.036 0.000 1.343 142 R HN 0.720 nan 8.270 nan 0.000 0.571 143 L N 1.562 122.844 121.223 0.097 0.000 2.559 143 L HA -0.089 4.251 4.340 0.000 0.000 0.282 143 L C 1.094 177.989 176.870 0.042 0.000 1.232 143 L CA 1.077 55.971 54.840 0.091 0.000 0.885 143 L CB 0.516 42.681 42.059 0.176 0.000 1.131 143 L HN 0.220 nan 8.230 nan 0.000 0.498 144 E N 2.071 122.159 120.200 -0.188 0.000 2.453 144 E HA 0.128 4.478 4.350 0.000 0.000 0.211 144 E C -0.453 175.574 176.600 -0.955 0.000 0.897 144 E CA 0.160 56.265 56.400 -0.493 0.000 1.063 144 E CB 0.752 30.303 29.700 -0.248 0.000 1.080 144 E HN 0.498 nan 8.360 nan 0.000 0.512 145 K N 1.203 121.281 120.400 -0.536 0.000 2.471 145 K HA 0.482 4.803 4.320 0.000 0.000 0.252 145 K C -1.583 174.960 176.600 -0.095 0.000 0.938 145 K CA -0.750 55.324 56.287 -0.355 0.000 0.796 145 K CB 2.665 35.072 32.500 -0.155 0.000 1.161 145 K HN -0.150 nan 8.250 nan 0.000 0.425 146 L N 2.239 123.471 121.223 0.016 0.000 2.439 146 L HA 0.310 4.650 4.340 0.000 0.000 0.270 146 L C -1.558 175.369 176.870 0.096 0.000 0.972 146 L CA -0.112 54.817 54.840 0.149 0.000 0.836 146 L CB 1.997 44.241 42.059 0.307 0.000 1.255 146 L HN 0.580 nan 8.230 nan 0.000 0.404 147 Q N 6.258 126.098 119.800 0.066 0.000 2.333 147 Q HA 0.549 4.890 4.340 0.000 0.000 0.268 147 Q C -0.719 175.296 176.000 0.025 0.000 1.007 147 Q CA -0.385 55.405 55.803 -0.022 0.000 0.810 147 Q CB 2.328 30.935 28.738 -0.218 0.000 1.264 147 Q HN 0.687 nan 8.270 nan 0.000 0.452 148 L N 2.142 123.377 121.223 0.020 0.000 3.291 148 L HA 0.268 4.609 4.340 0.000 0.000 0.307 148 L C -0.245 176.636 176.870 0.017 0.000 1.303 148 L CA -0.094 54.765 54.840 0.032 0.000 0.949 148 L CB 0.553 42.632 42.059 0.033 0.000 1.375 148 L HN 0.522 nan 8.230 nan 0.000 0.596 149 E N 0.028 120.237 120.200 0.015 0.000 2.360 149 E HA 0.083 4.433 4.350 0.000 0.000 0.269 149 E C -0.587 176.075 176.600 0.104 0.000 1.022 149 E CA -0.502 55.895 56.400 -0.005 0.000 0.887 149 E CB 0.325 30.034 29.700 0.016 0.000 0.990 149 E HN 0.137 nan 8.360 nan 0.000 0.426 150 Y N -0.226 120.081 120.300 0.011 0.000 3.027 150 Y HA -0.263 4.287 4.550 0.001 0.000 0.195 150 Y C 0.414 176.320 175.900 0.010 0.000 1.381 150 Y CA -0.274 57.833 58.100 0.011 0.000 1.015 150 Y CB -1.687 36.780 38.460 0.012 0.000 1.329 150 Y HN 0.569 nan 8.280 nan 0.000 0.462 151 C N -0.521 118.842 119.300 0.106 0.000 3.000 151 C HA 0.254 4.714 4.460 0.000 0.000 0.286 151 C C 1.237 176.260 174.990 0.055 0.000 1.343 151 C CA 0.470 59.535 59.018 0.077 0.000 1.742 151 C CB -0.891 26.880 27.740 0.052 0.000 2.200 151 C HN 0.787 nan 8.230 nan 0.000 0.621 152 S N 0.857 116.592 115.700 0.059 0.000 3.749 152 S HA -0.167 4.303 4.470 0.000 0.000 0.348 152 S C -0.159 174.453 174.600 0.019 0.000 1.045 152 S CA 0.461 58.685 58.200 0.040 0.000 1.051 152 S CB -1.881 61.343 63.200 0.039 0.000 0.898 152 S HN 0.695 nan 8.310 nan 0.000 0.472 153 L N 1.144 122.372 121.223 0.008 0.000 2.343 153 L HA 0.740 5.080 4.340 0.000 0.000 0.275 153 L C 0.802 177.666 176.870 -0.010 0.000 1.056 153 L CA -0.428 54.411 54.840 -0.002 0.000 0.804 153 L CB 1.508 43.564 42.059 -0.005 0.000 1.203 153 L HN 0.382 nan 8.230 nan 0.000 0.440 154 S N 0.914 116.608 115.700 -0.011 0.000 2.798 154 S HA 0.622 5.092 4.470 0.000 0.000 0.312 154 S C 0.995 175.584 174.600 -0.018 0.000 1.122 154 S CA -0.105 58.086 58.200 -0.014 0.000 0.949 154 S CB 1.430 64.623 63.200 -0.011 0.000 1.235 154 S HN 0.663 nan 8.310 nan 0.000 0.552 155 A N 0.513 123.321 122.820 -0.019 0.000 1.986 155 A HA 0.067 4.387 4.320 0.000 0.000 0.220 155 A C 2.267 179.839 177.584 -0.019 0.000 1.171 155 A CA 2.143 54.167 52.037 -0.021 0.000 0.640 155 A CB -1.745 17.242 19.000 -0.020 0.000 0.811 155 A HN 1.440 nan 8.150 nan 0.000 0.451 156 A N -1.132 121.678 122.820 -0.016 0.000 2.125 156 A HA 0.019 4.339 4.320 0.000 0.000 0.219 156 A C 2.234 179.808 177.584 -0.017 0.000 1.156 156 A CA 1.690 53.717 52.037 -0.016 0.000 0.671 156 A CB -0.516 18.477 19.000 -0.013 0.000 0.794 156 A HN 0.415 nan 8.150 nan 0.000 0.459 157 S N -1.580 114.110 115.700 -0.017 0.000 2.527 157 S HA -0.066 4.405 4.470 0.000 0.000 0.222 157 S C 1.585 176.170 174.600 -0.025 0.000 0.985 157 S CA 0.729 58.918 58.200 -0.018 0.000 0.921 157 S CB -0.445 62.747 63.200 -0.014 0.000 0.772 157 S HN 0.755 nan 8.310 nan 0.000 0.529 158 C N 0.949 120.233 119.300 -0.026 0.000 2.467 158 C HA 0.092 4.552 4.460 0.000 0.000 0.279 158 C C 2.616 177.584 174.990 -0.037 0.000 1.347 158 C CA 0.287 59.285 59.018 -0.032 0.000 1.748 158 C CB -0.824 26.898 27.740 -0.030 0.000 1.977 158 C HN 0.582 nan 8.230 nan 0.000 0.501 159 E N 1.705 121.885 120.200 -0.033 0.000 2.076 159 E HA -0.057 4.293 4.350 0.000 0.000 0.190 159 E C -0.567 176.009 176.600 -0.040 0.000 0.979 159 E CA 1.486 57.865 56.400 -0.035 0.000 0.807 159 E CB -1.144 28.539 29.700 -0.029 0.000 0.761 159 E HN 0.332 nan 8.360 nan 0.000 0.454 160 P HA -0.185 nan 4.420 nan 0.000 0.216 160 P C 1.279 178.544 177.300 -0.058 0.000 1.157 160 P CA 1.353 64.429 63.100 -0.040 0.000 0.880 160 P CB -0.063 31.619 31.700 -0.031 0.000 0.791 161 L N -1.469 119.717 121.223 -0.062 0.000 2.109 161 L HA -0.115 4.225 4.340 0.000 0.000 0.207 161 L C 2.490 179.289 176.870 -0.118 0.000 1.086 161 L CA 1.333 56.119 54.840 -0.090 0.000 0.760 161 L CB -1.073 40.944 42.059 -0.071 0.000 0.910 161 L HN -0.065 nan 8.230 nan 0.000 0.437 162 A N -0.831 121.938 122.820 -0.086 0.000 1.940 162 A HA -0.227 4.093 4.320 0.000 0.000 0.219 162 A C 2.506 180.035 177.584 -0.092 0.000 1.176 162 A CA 2.222 54.209 52.037 -0.084 0.000 0.631 162 A CB -0.594 18.372 19.000 -0.057 0.000 0.814 162 A HN 0.365 nan 8.150 nan 0.000 0.446 163 S N -0.705 114.946 115.700 -0.081 0.000 2.368 163 S HA -0.107 4.363 4.470 0.000 0.000 0.224 163 S C 1.936 176.477 174.600 -0.099 0.000 1.029 163 S CA 1.318 59.474 58.200 -0.074 0.000 0.988 163 S CB -0.408 62.759 63.200 -0.055 0.000 0.838 163 S HN 0.367 nan 8.310 nan 0.000 0.462 164 V N 2.331 122.167 119.914 -0.130 0.000 2.287 164 V HA -0.203 3.917 4.120 0.000 0.000 0.248 164 V C 2.185 178.114 176.094 -0.274 0.000 1.053 164 V CA 1.683 63.872 62.300 -0.186 0.000 1.027 164 V CB -0.815 30.882 31.823 -0.210 0.000 0.646 164 V HN 0.415 nan 8.190 nan 0.000 0.447 165 L N -0.687 120.346 121.223 -0.316 0.000 2.042 165 L HA -0.207 4.133 4.340 0.000 0.000 0.210 165 L C 2.767 179.545 176.870 -0.154 0.000 1.076 165 L CA 1.754 56.405 54.840 -0.315 0.000 0.749 165 L CB -0.645 41.273 42.059 -0.235 0.000 0.893 165 L HN 0.209 nan 8.230 nan 0.000 0.432 166 R N -0.174 120.260 120.500 -0.110 0.000 2.096 166 R HA -0.135 4.206 4.340 0.000 0.000 0.235 166 R C 2.331 178.601 176.300 -0.049 0.000 1.127 166 R CA 1.327 57.389 56.100 -0.063 0.000 0.968 166 R CB -0.440 29.829 30.300 -0.051 0.000 0.861 166 R HN 0.375 nan 8.270 nan 0.000 0.440 167 A N 0.789 123.572 122.820 -0.062 0.000 2.121 167 A HA -0.056 4.264 4.320 0.000 0.000 0.218 167 A C 0.363 177.936 177.584 -0.017 0.000 1.154 167 A CA 0.990 53.004 52.037 -0.038 0.000 0.679 167 A CB 0.194 19.168 19.000 -0.043 0.000 0.795 167 A HN -0.026 nan 8.150 nan 0.000 0.458 168 K N -0.230 120.157 120.400 -0.022 0.000 2.478 168 K HA 0.324 4.645 4.320 0.000 0.000 0.236 168 K C -2.575 174.079 176.600 0.089 0.000 1.021 168 K CA -1.991 54.326 56.287 0.051 0.000 1.010 168 K CB 1.258 33.821 32.500 0.104 0.000 1.331 168 K HN 0.013 nan 8.250 nan 0.000 0.470 169 P HA -0.111 nan 4.420 nan 0.000 0.222 169 P C 0.488 177.839 177.300 0.085 0.000 1.147 169 P CA 0.963 64.102 63.100 0.065 0.000 0.790 169 P CB 0.383 32.108 31.700 0.042 0.000 0.780 170 D N -2.224 118.238 120.400 0.103 0.000 2.342 170 D HA 0.042 4.682 4.640 0.000 0.000 0.221 170 D C -0.205 176.156 176.300 0.103 0.000 1.101 170 D CA -0.481 53.568 54.000 0.082 0.000 0.837 170 D CB -0.581 40.252 40.800 0.056 0.000 0.938 170 D HN -0.059 nan 8.370 nan 0.000 0.508 171 F N 0.929 120.882 119.950 0.005 0.000 2.484 171 F HA 0.173 4.701 4.527 0.000 0.000 0.360 171 F C 1.491 177.294 175.800 0.005 0.000 1.101 171 F CA 0.390 58.393 58.000 0.006 0.000 1.251 171 F CB 0.983 39.985 39.000 0.004 0.000 1.132 171 F HN -0.249 nan 8.300 nan 0.000 0.570 172 K N 2.534 122.725 120.400 -0.348 0.000 2.443 172 K HA 0.118 4.438 4.320 0.000 0.000 0.200 172 K C -0.467 176.042 176.600 -0.152 0.000 1.278 172 K CA 0.271 56.454 56.287 -0.174 0.000 0.925 172 K CB 0.491 32.891 32.500 -0.168 0.000 1.225 172 K HN 0.658 nan 8.250 nan 0.000 0.514 173 E N 0.916 120.934 120.200 -0.304 0.000 2.278 173 E HA 0.338 4.688 4.350 0.000 0.000 0.272 173 E C -1.848 174.740 176.600 -0.021 0.000 0.890 173 E CA -0.556 55.769 56.400 -0.126 0.000 0.770 173 E CB 1.415 31.041 29.700 -0.123 0.000 1.212 173 E HN -0.078 nan 8.360 nan 0.000 0.415 174 L N 3.712 125.004 121.223 0.114 0.000 2.376 174 L HA 0.551 4.891 4.340 0.000 0.000 0.275 174 L C -1.344 175.565 176.870 0.066 0.000 0.987 174 L CA -0.039 54.908 54.840 0.178 0.000 0.828 174 L CB 2.157 44.367 42.059 0.251 0.000 1.249 174 L HN 0.503 nan 8.230 nan 0.000 0.409 175 T N 4.378 118.954 114.554 0.036 0.000 2.786 175 T HA 0.404 4.754 4.350 0.000 0.000 0.283 175 T C -0.013 174.684 174.700 -0.005 0.000 0.992 175 T CA -0.242 61.855 62.100 -0.005 0.000 0.954 175 T CB 1.692 70.531 68.868 -0.048 0.000 0.934 175 T HN 0.416 nan 8.240 nan 0.000 0.440 176 V N 3.071 122.974 119.914 -0.018 0.000 3.166 176 V HA 0.214 4.335 4.120 0.000 0.000 0.332 176 V C 0.556 176.609 176.094 -0.069 0.000 1.434 176 V CA -0.132 62.149 62.300 -0.032 0.000 1.121 176 V CB -0.025 31.785 31.823 -0.020 0.000 1.062 176 V HN 0.911 nan 8.190 nan 0.000 0.489 177 S N 2.278 117.931 115.700 -0.077 0.000 2.554 177 S HA 0.064 4.534 4.470 0.000 0.000 0.290 177 S C 0.822 175.271 174.600 -0.252 0.000 1.309 177 S CA 0.662 58.790 58.200 -0.120 0.000 1.047 177 S CB -0.026 63.132 63.200 -0.070 0.000 0.828 177 S HN 0.765 nan 8.310 nan 0.000 0.509 178 N N 1.673 120.183 118.700 -0.316 0.000 2.783 178 N HA -0.169 4.572 4.740 0.000 0.000 0.247 178 N C -1.277 174.008 175.510 -0.375 0.000 1.089 178 N CA 0.492 53.212 53.050 -0.551 0.000 0.690 178 N CB -1.177 36.427 38.487 -1.472 0.000 0.991 178 N HN 0.601 nan 8.380 nan 0.000 0.552 179 N N 0.969 119.553 118.700 -0.193 0.000 2.249 179 N HA 0.103 4.844 4.740 0.000 0.000 0.296 179 N C -0.687 174.777 175.510 -0.077 0.000 1.051 179 N CA -0.486 52.502 53.050 -0.103 0.000 0.815 179 N CB 1.398 39.843 38.487 -0.070 0.000 1.487 179 N HN 0.116 nan 8.380 nan 0.000 0.475 180 D N 2.041 122.411 120.400 -0.049 0.000 2.688 180 D HA 0.041 4.681 4.640 0.000 0.000 0.228 180 D C 1.404 177.683 176.300 -0.035 0.000 1.116 180 D CA -0.380 53.595 54.000 -0.041 0.000 1.023 180 D CB -0.329 40.455 40.800 -0.026 0.000 1.100 180 D HN 0.639 nan 8.370 nan 0.000 0.487 181 I N -2.356 118.189 120.570 -0.041 0.000 2.876 181 I HA -0.034 4.136 4.170 0.000 0.000 0.264 181 I C -0.106 175.991 176.117 -0.034 0.000 1.204 181 I CA -0.300 60.978 61.300 -0.035 0.000 1.485 181 I CB -0.435 37.543 38.000 -0.036 0.000 1.103 181 I HN -0.057 nan 8.210 nan 0.000 0.446 182 N N 1.832 120.509 118.700 -0.038 0.000 6.746 182 N HA -0.308 4.432 4.740 0.000 0.000 0.415 182 N C 0.802 176.292 175.510 -0.034 0.000 0.941 182 N CA 1.232 54.260 53.050 -0.036 0.000 1.510 182 N CB -0.366 38.103 38.487 -0.030 0.000 0.796 182 N HN 0.564 nan 8.380 nan 0.000 0.371 183 E N 0.230 120.411 120.200 -0.032 0.000 2.070 183 E HA -0.200 4.150 4.350 0.000 0.000 0.197 183 E C 1.746 178.330 176.600 -0.028 0.000 1.004 183 E CA 2.005 58.387 56.400 -0.031 0.000 0.805 183 E CB -0.248 29.435 29.700 -0.028 0.000 0.744 183 E HN 0.588 nan 8.360 nan 0.000 0.451 184 A N 0.654 123.458 122.820 -0.025 0.000 1.877 184 A HA -0.105 4.216 4.320 0.000 0.000 0.216 184 A C 2.464 180.033 177.584 -0.025 0.000 1.186 184 A CA 1.863 53.886 52.037 -0.023 0.000 0.620 184 A CB -1.351 17.636 19.000 -0.021 0.000 0.822 184 A HN 0.477 nan 8.150 nan 0.000 0.443 185 G N -0.471 108.314 108.800 -0.026 0.000 2.446 185 G HA2 -0.144 3.817 3.960 0.000 0.000 0.217 185 G HA3 -0.144 3.817 3.960 0.000 0.000 0.217 185 G C 1.523 176.406 174.900 -0.029 0.000 1.168 185 G CA 1.340 46.424 45.100 -0.028 0.000 0.771 185 G HN 0.335 nan 8.290 nan 0.000 0.551 186 V N 0.827 120.722 119.914 -0.031 0.000 2.287 186 V HA -0.234 3.886 4.120 0.000 0.000 0.248 186 V C 2.775 178.852 176.094 -0.029 0.000 1.053 186 V CA 2.329 64.610 62.300 -0.031 0.000 1.027 186 V CB -0.558 31.244 31.823 -0.035 0.000 0.646 186 V HN 0.435 nan 8.190 nan 0.000 0.447 187 R N -0.219 120.265 120.500 -0.028 0.000 2.083 187 R HA -0.148 4.192 4.340 0.000 0.000 0.237 187 R C 2.262 178.546 176.300 -0.026 0.000 1.137 187 R CA 1.857 57.941 56.100 -0.026 0.000 0.951 187 R CB -0.412 29.874 30.300 -0.024 0.000 0.851 187 R HN 0.371 nan 8.270 nan 0.000 0.434 188 V N 1.176 121.073 119.914 -0.027 0.000 2.343 188 V HA -0.241 3.879 4.120 0.000 0.000 0.247 188 V C 2.280 178.355 176.094 -0.032 0.000 1.051 188 V CA 1.509 63.792 62.300 -0.028 0.000 1.036 188 V CB -0.454 31.353 31.823 -0.028 0.000 0.654 188 V HN 0.320 nan 8.190 nan 0.000 0.451 189 L N -0.334 120.869 121.223 -0.032 0.000 2.012 189 L HA -0.194 4.147 4.340 0.000 0.000 0.210 189 L C 2.468 179.320 176.870 -0.031 0.000 1.073 189 L CA 2.160 56.979 54.840 -0.034 0.000 0.748 189 L CB -0.945 41.096 42.059 -0.030 0.000 0.891 189 L HN 0.387 nan 8.230 nan 0.000 0.431 190 C N -1.400 117.884 119.300 -0.026 0.000 2.422 190 C HA -0.161 4.299 4.460 0.000 0.000 0.279 190 C C 2.778 177.753 174.990 -0.025 0.000 1.305 190 C CA 0.867 59.871 59.018 -0.023 0.000 1.757 190 C CB -0.731 26.994 27.740 -0.024 0.000 1.962 190 C HN 0.616 nan 8.230 nan 0.000 0.499 191 Q N 1.242 121.026 119.800 -0.027 0.000 2.046 191 Q HA 0.010 4.350 4.340 0.000 0.000 0.200 191 Q C 2.294 178.276 176.000 -0.029 0.000 0.975 191 Q CA 2.198 57.985 55.803 -0.026 0.000 0.836 191 Q CB -0.871 27.851 28.738 -0.025 0.000 0.896 191 Q HN 0.552 nan 8.270 nan 0.000 0.428 192 G N 0.644 109.423 108.800 -0.036 0.000 2.505 192 G HA2 -0.270 3.690 3.960 0.000 0.000 0.220 192 G HA3 -0.270 3.690 3.960 0.000 0.000 0.220 192 G C 1.373 176.247 174.900 -0.043 0.000 1.145 192 G CA 1.144 46.217 45.100 -0.046 0.000 0.761 192 G HN 0.387 nan 8.290 nan 0.000 0.571 193 L N -0.236 120.967 121.223 -0.033 0.000 2.027 193 L HA -0.011 4.329 4.340 0.000 0.000 0.206 193 L C 2.905 179.768 176.870 -0.012 0.000 1.074 193 L CA 1.331 56.161 54.840 -0.018 0.000 0.745 193 L CB -0.313 41.742 42.059 -0.006 0.000 0.898 193 L HN 0.153 nan 8.230 nan 0.000 0.433 194 K N 0.002 120.392 120.400 -0.017 0.000 2.057 194 K HA -0.205 4.115 4.320 0.000 0.000 0.207 194 K C 1.620 178.212 176.600 -0.014 0.000 1.049 194 K CA 1.756 58.033 56.287 -0.017 0.000 0.931 194 K CB -0.051 32.436 32.500 -0.022 0.000 0.714 194 K HN 0.292 nan 8.250 nan 0.000 0.440 195 D N 0.555 120.945 120.400 -0.017 0.000 2.178 195 D HA -0.079 4.561 4.640 0.000 0.000 0.202 195 D C 0.918 177.210 176.300 -0.013 0.000 0.974 195 D CA 0.456 54.446 54.000 -0.016 0.000 0.841 195 D CB -0.181 40.606 40.800 -0.021 0.000 0.953 195 D HN 0.025 nan 8.370 nan 0.000 0.478 196 S N 0.905 116.596 115.700 -0.015 0.000 2.572 196 S HA 0.099 4.569 4.470 0.000 0.000 0.279 196 S C -1.698 172.906 174.600 0.006 0.000 1.341 196 S CA -1.185 57.009 58.200 -0.010 0.000 1.043 196 S CB 1.245 64.435 63.200 -0.015 0.000 0.887 196 S HN -0.079 nan 8.310 nan 0.000 0.516 197 P HA 0.141 nan 4.420 nan 0.000 0.249 197 P C 0.537 177.859 177.300 0.036 0.000 1.229 197 P CA -0.164 62.948 63.100 0.021 0.000 0.788 197 P CB -1.193 30.518 31.700 0.019 0.000 1.072 198 C N 0.566 119.896 119.300 0.051 0.000 2.563 198 C HA 0.146 4.606 4.460 0.000 0.000 0.411 198 C C 0.966 175.995 174.990 0.065 0.000 1.386 198 C CA -0.586 58.480 59.018 0.082 0.000 1.703 198 C CB -0.662 27.164 27.740 0.145 0.000 2.596 198 C HN 0.209 nan 8.230 nan 0.000 0.605 199 Q N 2.219 122.054 119.800 0.058 0.000 3.181 199 Q HA 0.254 4.594 4.340 0.000 0.000 0.293 199 Q C 0.040 176.066 176.000 0.044 0.000 1.406 199 Q CA -0.069 55.760 55.803 0.042 0.000 1.026 199 Q CB 0.146 28.902 28.738 0.031 0.000 1.630 199 Q HN 0.861 nan 8.270 nan 0.000 0.553 200 L N 1.238 122.497 121.223 0.060 0.000 2.559 200 L HA -0.139 4.202 4.340 0.000 0.000 0.282 200 L C 1.152 178.041 176.870 0.031 0.000 1.232 200 L CA 1.215 56.092 54.840 0.062 0.000 0.885 200 L CB 0.538 42.647 42.059 0.084 0.000 1.131 200 L HN 0.393 nan 8.230 nan 0.000 0.498 201 E N 2.997 123.204 120.200 0.011 0.000 2.364 201 E HA 0.336 4.686 4.350 0.000 0.000 0.203 201 E C -0.364 176.232 176.600 -0.006 0.000 0.888 201 E CA 0.389 56.788 56.400 -0.002 0.000 0.989 201 E CB 0.530 30.219 29.700 -0.019 0.000 0.985 201 E HN 0.664 nan 8.360 nan 0.000 0.499 202 A N 1.448 124.263 122.820 -0.009 0.000 2.398 202 A HA 0.588 4.909 4.320 0.000 0.000 0.301 202 A C -1.677 175.909 177.584 0.004 0.000 1.041 202 A CA -0.571 51.457 52.037 -0.016 0.000 0.711 202 A CB 1.231 20.205 19.000 -0.043 0.000 1.240 202 A HN 0.090 nan 8.150 nan 0.000 0.420 203 L N 2.133 123.360 121.223 0.007 0.000 2.376 203 L HA 0.632 4.972 4.340 0.000 0.000 0.275 203 L C -0.859 176.015 176.870 0.007 0.000 0.987 203 L CA -0.165 54.686 54.840 0.018 0.000 0.828 203 L CB 1.482 43.554 42.059 0.023 0.000 1.249 203 L HN 0.614 nan 8.230 nan 0.000 0.409 204 K N 6.886 127.286 120.400 0.001 0.000 2.413 204 K HA 0.550 4.870 4.320 0.000 0.000 0.257 204 K C -0.837 175.757 176.600 -0.009 0.000 0.946 204 K CA -0.487 55.799 56.287 -0.002 0.000 0.823 204 K CB 1.953 34.443 32.500 -0.016 0.000 1.109 204 K HN 0.615 nan 8.250 nan 0.000 0.427 205 L N 2.955 124.170 121.223 -0.013 0.000 3.025 205 L HA 0.203 4.544 4.340 0.000 0.000 0.307 205 L C -0.327 176.508 176.870 -0.058 0.000 1.303 205 L CA -0.223 54.595 54.840 -0.037 0.000 0.817 205 L CB 0.622 42.659 42.059 -0.036 0.000 1.227 205 L HN 0.537 nan 8.230 nan 0.000 0.571 206 E N -0.043 120.131 120.200 -0.042 0.000 2.343 206 E HA 0.244 4.594 4.350 0.000 0.000 0.269 206 E C 0.308 176.844 176.600 -0.106 0.000 1.047 206 E CA -0.381 55.977 56.400 -0.071 0.000 0.874 206 E CB 0.949 30.688 29.700 0.064 0.000 1.033 206 E HN 0.184 nan 8.360 nan 0.000 0.409 207 S N 0.653 116.257 115.700 -0.159 0.000 3.477 207 S HA -0.186 4.284 4.470 0.000 0.000 0.371 207 S C 0.267 174.793 174.600 -0.122 0.000 0.965 207 S CA 0.235 58.354 58.200 -0.135 0.000 1.239 207 S CB -1.450 61.691 63.200 -0.098 0.000 0.918 207 S HN 0.658 nan 8.310 nan 0.000 0.498 208 C N -0.082 119.152 119.300 -0.109 0.000 3.336 208 C HA 0.528 4.988 4.460 0.000 0.000 0.291 208 C C 1.849 176.795 174.990 -0.073 0.000 1.363 208 C CA 0.065 59.029 59.018 -0.089 0.000 1.737 208 C CB -0.555 27.138 27.740 -0.079 0.000 2.274 208 C HN 1.362 nan 8.230 nan 0.000 0.663 209 G N 1.510 110.265 108.800 -0.076 0.000 2.149 209 G HA2 -0.195 3.765 3.960 0.000 0.000 0.235 209 G HA3 -0.195 3.765 3.960 0.000 0.000 0.235 209 G C -0.028 174.836 174.900 -0.061 0.000 1.018 209 G CA 0.273 45.335 45.100 -0.062 0.000 0.728 209 G HN 0.380 nan 8.290 nan 0.000 0.508 210 V N 1.598 121.468 119.914 -0.072 0.000 2.572 210 V HA 0.551 4.671 4.120 0.000 0.000 0.291 210 V C 1.274 177.330 176.094 -0.064 0.000 1.039 210 V CA 0.707 62.968 62.300 -0.066 0.000 1.055 210 V CB 1.011 32.790 31.823 -0.074 0.000 0.969 210 V HN 0.821 nan 8.190 nan 0.000 0.482 211 T N 1.153 115.677 114.554 -0.051 0.000 2.938 211 T HA 0.334 4.684 4.350 0.000 0.000 0.285 211 T C 1.136 175.810 174.700 -0.043 0.000 1.028 211 T CA -0.115 61.958 62.100 -0.046 0.000 1.005 211 T CB 1.590 70.435 68.868 -0.037 0.000 1.157 211 T HN 0.411 nan 8.240 nan 0.000 0.550 212 S N 0.545 116.222 115.700 -0.038 0.000 2.368 212 S HA -0.105 4.366 4.470 0.000 0.000 0.225 212 S C 1.570 176.153 174.600 -0.029 0.000 1.030 212 S CA 1.357 59.537 58.200 -0.033 0.000 0.999 212 S CB -0.639 62.544 63.200 -0.029 0.000 0.844 212 S HN 0.787 nan 8.310 nan 0.000 0.459 213 D N 1.521 121.905 120.400 -0.027 0.000 2.149 213 D HA -0.067 4.574 4.640 0.000 0.000 0.198 213 D C 1.548 177.833 176.300 -0.025 0.000 0.990 213 D CA 0.887 54.873 54.000 -0.024 0.000 0.839 213 D CB -0.672 40.114 40.800 -0.022 0.000 0.948 213 D HN 0.444 nan 8.370 nan 0.000 0.460 214 N N -0.653 118.030 118.700 -0.029 0.000 2.364 214 N HA -0.110 4.631 4.740 0.000 0.000 0.183 214 N C 1.423 176.915 175.510 -0.029 0.000 1.022 214 N CA 0.435 53.467 53.050 -0.030 0.000 0.883 214 N CB 0.039 38.505 38.487 -0.035 0.000 0.965 214 N HN 0.148 nan 8.380 nan 0.000 0.438 215 C N 0.602 119.884 119.300 -0.029 0.000 2.432 215 C HA 0.027 4.487 4.460 0.000 0.000 0.282 215 C C 2.339 177.316 174.990 -0.023 0.000 1.388 215 C CA 0.335 59.338 59.018 -0.026 0.000 1.777 215 C CB -1.011 26.713 27.740 -0.026 0.000 1.882 215 C HN 0.448 nan 8.230 nan 0.000 0.520 216 R N 0.798 121.285 120.500 -0.023 0.000 2.090 216 R HA -0.072 4.268 4.340 0.000 0.000 0.228 216 R C 1.623 177.908 176.300 -0.025 0.000 1.110 216 R CA 1.172 57.258 56.100 -0.022 0.000 0.973 216 R CB -0.337 29.951 30.300 -0.020 0.000 0.869 216 R HN 0.580 nan 8.270 nan 0.000 0.440 217 D N 1.167 121.552 120.400 -0.025 0.000 2.097 217 D HA -0.146 4.494 4.640 0.000 0.000 0.195 217 D C 2.050 178.333 176.300 -0.028 0.000 0.989 217 D CA 1.150 55.134 54.000 -0.027 0.000 0.827 217 D CB -0.180 40.604 40.800 -0.026 0.000 0.966 217 D HN 0.165 nan 8.370 nan 0.000 0.456 218 L N 0.497 121.704 121.223 -0.026 0.000 2.093 218 L HA -0.133 4.208 4.340 0.000 0.000 0.208 218 L C 2.827 179.681 176.870 -0.026 0.000 1.085 218 L CA 0.538 55.364 54.840 -0.023 0.000 0.755 218 L CB -0.380 41.667 42.059 -0.020 0.000 0.904 218 L HN 0.163 nan 8.230 nan 0.000 0.435 219 C N 0.483 119.767 119.300 -0.028 0.000 2.401 219 C HA -0.168 4.292 4.460 0.000 0.000 0.276 219 C C 2.874 177.830 174.990 -0.058 0.000 1.233 219 C CA 1.226 60.224 59.018 -0.034 0.000 1.753 219 C CB -1.275 26.448 27.740 -0.029 0.000 2.029 219 C HN 0.667 nan 8.230 nan 0.000 0.478 220 G N 0.176 108.942 108.800 -0.056 0.000 2.422 220 G HA2 -0.054 3.906 3.960 0.000 0.000 0.218 220 G HA3 -0.054 3.906 3.960 0.000 0.000 0.218 220 G C 1.401 176.258 174.900 -0.071 0.000 1.140 220 G CA 0.859 45.916 45.100 -0.072 0.000 0.775 220 G HN 0.462 nan 8.290 nan 0.000 0.545 221 I N 1.012 121.554 120.570 -0.047 0.000 2.202 221 I HA -0.071 4.099 4.170 0.000 0.000 0.242 221 I C 2.940 179.037 176.117 -0.034 0.000 1.091 221 I CA 0.598 61.879 61.300 -0.033 0.000 1.368 221 I CB -1.118 36.871 38.000 -0.017 0.000 1.058 221 I HN 0.024 nan 8.210 nan 0.000 0.410 222 V N 1.365 121.258 119.914 -0.034 0.000 2.427 222 V HA -0.203 3.917 4.120 0.000 0.000 0.248 222 V C 2.770 178.834 176.094 -0.050 0.000 1.051 222 V CA 1.640 63.927 62.300 -0.022 0.000 1.048 222 V CB -1.094 30.725 31.823 -0.008 0.000 0.666 222 V HN 0.442 nan 8.190 nan 0.000 0.456 223 A N 0.296 123.032 122.820 -0.140 0.000 1.969 223 A HA -0.146 4.175 4.320 0.000 0.000 0.218 223 A C 2.419 179.829 177.584 -0.289 0.000 1.169 223 A CA 2.038 53.852 52.037 -0.372 0.000 0.635 223 A CB -0.393 18.273 19.000 -0.557 0.000 0.810 223 A HN 0.672 nan 8.150 nan 0.000 0.445 224 S N -1.922 113.694 115.700 -0.140 0.000 2.511 224 S HA 0.182 4.652 4.470 0.000 0.000 0.214 224 S C 0.417 175.012 174.600 -0.009 0.000 0.997 224 S CA -0.231 57.929 58.200 -0.067 0.000 0.908 224 S CB 0.200 63.363 63.200 -0.061 0.000 0.803 224 S HN 0.187 nan 8.310 nan 0.000 0.504 225 K N 2.266 122.665 120.400 -0.002 0.000 2.356 225 K HA 0.563 4.883 4.320 0.000 0.000 0.243 225 K C 0.695 177.314 176.600 0.032 0.000 1.072 225 K CA 0.120 56.417 56.287 0.018 0.000 1.014 225 K CB 0.793 33.304 32.500 0.018 0.000 1.523 225 K HN 0.273 nan 8.250 nan 0.000 0.455 226 A N 1.578 124.424 122.820 0.043 0.000 2.070 226 A HA -0.149 4.172 4.320 0.000 0.000 0.220 226 A C 1.939 179.546 177.584 0.037 0.000 1.159 226 A CA 1.872 53.939 52.037 0.050 0.000 0.656 226 A CB -0.220 18.812 19.000 0.053 0.000 0.800 226 A HN 0.604 nan 8.150 nan 0.000 0.453 227 S N -0.893 114.826 115.700 0.032 0.000 2.481 227 S HA 0.081 4.551 4.470 0.000 0.000 0.231 227 S C 0.621 175.235 174.600 0.023 0.000 0.996 227 S CA 0.083 58.298 58.200 0.026 0.000 0.942 227 S CB -0.660 62.555 63.200 0.025 0.000 0.768 227 S HN 0.341 nan 8.310 nan 0.000 0.520 228 L N 2.691 123.930 121.223 0.026 0.000 2.513 228 L HA 0.263 4.603 4.340 0.000 0.000 0.272 228 L C 1.203 178.087 176.870 0.024 0.000 1.187 228 L CA 0.185 55.039 54.840 0.024 0.000 0.895 228 L CB 0.393 42.466 42.059 0.025 0.000 1.147 228 L HN 0.029 nan 8.230 nan 0.000 0.483 229 R N 2.601 123.111 120.500 0.016 0.000 2.225 229 R HA 0.249 4.589 4.340 0.000 0.000 0.194 229 R C -0.208 176.100 176.300 0.014 0.000 0.949 229 R CA 0.244 56.353 56.100 0.016 0.000 1.088 229 R CB 0.179 30.483 30.300 0.007 0.000 1.106 229 R HN 0.740 nan 8.270 nan 0.000 0.566 230 E N 0.971 121.172 120.200 0.001 0.000 2.224 230 E HA 0.339 4.689 4.350 0.000 0.000 0.265 230 E C -1.611 174.995 176.600 0.009 0.000 0.878 230 E CA -0.643 55.752 56.400 -0.008 0.000 0.759 230 E CB 1.374 31.038 29.700 -0.061 0.000 1.164 230 E HN -0.133 nan 8.360 nan 0.000 0.414 231 L N 4.110 125.358 121.223 0.042 0.000 2.372 231 L HA 0.694 5.034 4.340 0.000 0.000 0.274 231 L C -1.533 175.394 176.870 0.096 0.000 0.988 231 L CA -0.351 54.520 54.840 0.051 0.000 0.833 231 L CB 1.519 43.608 42.059 0.050 0.000 1.236 231 L HN 0.583 nan 8.230 nan 0.000 0.410 232 A N 5.983 128.852 122.820 0.082 0.000 2.267 232 A HA 0.705 5.026 4.320 0.000 0.000 0.315 232 A C -0.234 177.400 177.584 0.084 0.000 1.297 232 A CA -0.318 51.812 52.037 0.155 0.000 0.865 232 A CB 0.395 19.464 19.000 0.114 0.000 1.165 232 A HN 0.820 nan 8.150 nan 0.000 0.513 233 L N 3.207 124.460 121.223 0.050 0.000 3.358 233 L HA 0.256 4.596 4.340 0.000 0.000 0.301 233 L C 1.251 177.972 176.870 -0.249 0.000 1.276 233 L CA -0.359 54.436 54.840 -0.075 0.000 1.028 233 L CB 0.617 42.638 42.059 -0.063 0.000 1.421 233 L HN 0.830 nan 8.230 nan 0.000 0.604 234 G N -0.890 107.671 108.800 -0.399 0.000 2.614 234 G HA2 0.174 4.135 3.960 0.000 0.000 0.239 234 G HA3 0.174 4.135 3.960 0.000 0.000 0.239 234 G C 0.702 174.914 174.900 -1.146 0.000 1.240 234 G CA 0.449 44.798 45.100 -1.253 0.000 0.842 234 G HN 0.193 nan 8.290 nan 0.000 0.584 235 S N -0.284 114.650 115.700 -1.277 0.000 3.682 235 S HA -0.169 4.301 4.470 0.000 0.000 0.354 235 S C 0.193 174.565 174.600 -0.381 0.000 1.034 235 S CA 0.818 58.589 58.200 -0.717 0.000 1.084 235 S CB -1.558 61.271 63.200 -0.618 0.000 0.903 235 S HN 0.802 nan 8.310 nan 0.000 0.470 236 N N 0.898 119.403 118.700 -0.326 0.000 2.229 236 N HA 0.278 5.019 4.740 0.000 0.000 0.298 236 N C -0.703 174.711 175.510 -0.160 0.000 1.114 236 N CA -0.779 52.149 53.050 -0.202 0.000 0.776 236 N CB 1.319 39.699 38.487 -0.179 0.000 1.501 236 N HN 0.238 nan 8.380 nan 0.000 0.474 237 K N 2.169 122.502 120.400 -0.112 0.000 2.737 237 K HA 0.239 4.560 4.320 0.000 0.000 0.251 237 K C 1.197 177.752 176.600 -0.074 0.000 1.280 237 K CA -0.002 56.234 56.287 -0.086 0.000 1.219 237 K CB -0.063 32.398 32.500 -0.064 0.000 1.587 237 K HN 0.359 nan 8.250 nan 0.000 0.279 238 L N 0.394 121.566 121.223 -0.084 0.000 2.027 238 L HA -0.088 4.252 4.340 0.000 0.000 0.206 238 L C 1.286 178.126 176.870 -0.050 0.000 1.074 238 L CA 1.045 55.845 54.840 -0.067 0.000 0.745 238 L CB -1.004 41.012 42.059 -0.073 0.000 0.898 238 L HN 0.728 nan 8.230 nan 0.000 0.433 239 G N 0.180 108.949 108.800 -0.051 0.000 2.796 239 G HA2 -0.267 3.693 3.960 0.000 0.000 0.226 239 G HA3 -0.267 3.693 3.960 0.000 0.000 0.226 239 G C -0.003 174.880 174.900 -0.028 0.000 1.381 239 G CA 0.016 45.094 45.100 -0.037 0.000 0.867 239 G HN 0.220 nan 8.290 nan 0.000 0.552 240 D N -0.801 119.587 120.400 -0.020 0.000 2.178 240 D HA -0.039 4.602 4.640 0.000 0.000 0.202 240 D C 2.720 179.012 176.300 -0.013 0.000 0.974 240 D CA 1.456 55.447 54.000 -0.014 0.000 0.841 240 D CB -0.152 40.642 40.800 -0.009 0.000 0.953 240 D HN 0.293 nan 8.370 nan 0.000 0.478 241 V N 0.982 120.887 119.914 -0.016 0.000 2.358 241 V HA -0.128 3.992 4.120 0.000 0.000 0.246 241 V C 2.571 178.655 176.094 -0.017 0.000 1.047 241 V CA 1.918 64.210 62.300 -0.015 0.000 1.035 241 V CB -0.939 30.875 31.823 -0.015 0.000 0.658 241 V HN 0.211 nan 8.190 nan 0.000 0.452 242 G N -0.566 108.220 108.800 -0.023 0.000 2.446 242 G HA2 -0.362 3.599 3.960 0.000 0.000 0.217 242 G HA3 -0.362 3.599 3.960 0.000 0.000 0.217 242 G C 1.570 176.458 174.900 -0.021 0.000 1.168 242 G CA 1.420 46.505 45.100 -0.026 0.000 0.771 242 G HN 0.380 nan 8.290 nan 0.000 0.551 243 M N 1.548 121.136 119.600 -0.019 0.000 2.106 243 M HA 0.056 4.536 4.480 0.000 0.000 0.259 243 M C 2.692 178.989 176.300 -0.006 0.000 1.068 243 M CA 1.533 56.827 55.300 -0.011 0.000 1.100 243 M CB -0.584 32.011 32.600 -0.009 0.000 1.351 243 M HN 0.260 nan 8.290 nan 0.000 0.404 244 A N -1.039 121.777 122.820 -0.007 0.000 2.015 244 A HA -0.162 4.158 4.320 0.000 0.000 0.219 244 A C 2.012 179.594 177.584 -0.004 0.000 1.163 244 A CA 1.819 53.854 52.037 -0.004 0.000 0.646 244 A CB -0.754 18.243 19.000 -0.005 0.000 0.806 244 A HN 0.666 nan 8.150 nan 0.000 0.448 245 E N -1.042 119.154 120.200 -0.008 0.000 2.216 245 E HA -0.040 4.310 4.350 0.000 0.000 0.192 245 E C 1.639 178.234 176.600 -0.008 0.000 0.988 245 E CA 0.405 56.800 56.400 -0.009 0.000 0.834 245 E CB -0.059 29.633 29.700 -0.014 0.000 0.772 245 E HN 0.432 nan 8.360 nan 0.000 0.479 246 L N 0.356 121.575 121.223 -0.007 0.000 2.131 246 L HA -0.103 4.237 4.340 0.000 0.000 0.206 246 L C 2.110 178.983 176.870 0.005 0.000 1.087 246 L CA 1.167 56.005 54.840 -0.004 0.000 0.767 246 L CB -0.393 41.665 42.059 -0.003 0.000 0.917 246 L HN 0.229 nan 8.230 nan 0.000 0.441 247 C N 0.180 119.485 119.300 0.008 0.000 2.398 247 C HA -0.160 4.300 4.460 0.000 0.000 0.276 247 C C 0.122 175.126 174.990 0.023 0.000 1.222 247 C CA 1.092 60.120 59.018 0.016 0.000 1.746 247 C CB -1.684 26.064 27.740 0.012 0.000 2.039 247 C HN 0.391 nan 8.230 nan 0.000 0.470 248 P HA -0.041 nan 4.420 nan 0.000 0.216 248 P C 1.539 178.867 177.300 0.046 0.000 1.150 248 P CA 2.251 65.370 63.100 0.032 0.000 0.837 248 P CB -0.346 31.366 31.700 0.021 0.000 0.786 249 G N -0.329 108.482 108.800 0.019 0.000 2.394 249 G HA2 -0.174 3.786 3.960 0.000 0.000 0.215 249 G HA3 -0.174 3.786 3.960 0.000 0.000 0.215 249 G C 1.470 176.398 174.900 0.048 0.000 1.165 249 G CA 0.294 45.394 45.100 0.001 0.000 0.784 249 G HN 0.218 nan 8.290 nan 0.000 0.535 250 L N -0.094 121.154 121.223 0.042 0.000 2.191 250 L HA 0.056 4.396 4.340 0.000 0.000 0.212 250 L C 2.532 179.441 176.870 0.065 0.000 1.103 250 L CA 0.461 55.332 54.840 0.051 0.000 0.769 250 L CB -0.187 41.895 42.059 0.039 0.000 0.908 250 L HN 0.178 nan 8.230 nan 0.000 0.438 251 L N -1.806 119.459 121.223 0.070 0.000 2.558 251 L HA 0.000 4.340 4.340 0.000 0.000 0.225 251 L C 1.186 178.107 176.870 0.084 0.000 1.128 251 L CA -0.195 54.683 54.840 0.062 0.000 0.868 251 L CB -0.389 41.696 42.059 0.044 0.000 1.006 251 L HN 0.237 nan 8.230 nan 0.000 0.454 252 H N 1.836 120.909 119.070 0.005 0.000 3.070 252 H HA -0.037 4.519 4.556 0.000 0.000 0.313 252 H C -1.503 173.828 175.328 0.005 0.000 0.997 252 H CA -1.042 55.009 56.048 0.005 0.000 1.438 252 H CB 1.389 31.154 29.762 0.006 0.000 1.455 252 H HN -0.082 nan 8.280 nan 0.000 0.575 253 P HA -0.256 nan 4.420 nan 0.000 0.219 253 P C 1.589 178.846 177.300 -0.071 0.000 1.158 253 P CA 2.408 65.421 63.100 -0.146 0.000 0.895 253 P CB 0.066 31.642 31.700 -0.206 0.000 0.792 254 S N -2.052 113.612 115.700 -0.061 0.000 2.447 254 S HA -0.043 4.428 4.470 0.000 0.000 0.233 254 S C 1.256 175.914 174.600 0.096 0.000 1.006 254 S CA 0.365 58.603 58.200 0.063 0.000 0.957 254 S CB -1.075 62.218 63.200 0.156 0.000 0.773 254 S HN 0.088 nan 8.310 nan 0.000 0.507 255 S N 1.382 117.156 115.700 0.124 0.000 2.533 255 S HA 0.323 4.793 4.470 0.000 0.000 0.282 255 S C 0.356 174.991 174.600 0.057 0.000 1.304 255 S CA -0.579 57.677 58.200 0.093 0.000 1.063 255 S CB 0.203 63.462 63.200 0.097 0.000 0.881 255 S HN 0.531 nan 8.310 nan 0.000 0.493 256 R N 3.238 123.767 120.500 0.048 0.000 2.727 256 R HA 0.239 4.580 4.340 0.000 0.000 0.410 256 R C -0.722 175.602 176.300 0.039 0.000 1.101 256 R CA -0.531 55.592 56.100 0.038 0.000 1.045 256 R CB 0.340 30.659 30.300 0.032 0.000 1.380 256 R HN 0.545 nan 8.270 nan 0.000 0.587 257 L N 1.479 122.729 121.223 0.044 0.000 2.601 257 L HA -0.050 4.290 4.340 0.000 0.000 0.277 257 L C 1.446 178.348 176.870 0.054 0.000 1.219 257 L CA 0.919 55.788 54.840 0.047 0.000 0.915 257 L CB 0.386 42.476 42.059 0.052 0.000 1.160 257 L HN 0.218 nan 8.230 nan 0.000 0.494 258 R N 1.908 122.440 120.500 0.054 0.000 2.146 258 R HA 0.161 4.501 4.340 0.000 0.000 0.206 258 R C -0.306 176.050 176.300 0.094 0.000 1.049 258 R CA 0.689 56.828 56.100 0.065 0.000 1.029 258 R CB 0.438 30.769 30.300 0.050 0.000 0.949 258 R HN 0.729 nan 8.270 nan 0.000 0.471 259 T N 1.403 116.011 114.554 0.089 0.000 2.881 259 T HA 0.388 4.738 4.350 0.000 0.000 0.291 259 T C -1.679 173.125 174.700 0.173 0.000 0.990 259 T CA -0.528 61.651 62.100 0.132 0.000 0.976 259 T CB 1.862 70.742 68.868 0.020 0.000 0.970 259 T HN 0.039 nan 8.240 nan 0.000 0.438 260 L N 3.551 124.941 121.223 0.278 0.000 2.372 260 L HA 0.584 4.924 4.340 0.000 0.000 0.273 260 L C -1.600 175.518 176.870 0.413 0.000 0.989 260 L CA -0.503 54.495 54.840 0.263 0.000 0.841 260 L CB 1.014 43.172 42.059 0.165 0.000 1.225 260 L HN 0.774 nan 8.230 nan 0.000 0.414 261 W N 8.422 129.753 121.300 0.052 0.000 2.299 261 W HA 0.453 5.113 4.660 0.000 0.000 0.319 261 W C -0.249 176.316 176.519 0.077 0.000 1.008 261 W CA -0.682 56.729 57.345 0.110 0.000 1.384 261 W CB 1.599 31.135 29.460 0.126 0.000 1.220 261 W HN 0.603 nan 8.180 nan 0.000 0.402 262 I N 3.647 124.228 120.570 0.018 0.000 3.083 262 I HA 0.209 4.379 4.170 0.000 0.000 0.336 262 I C 0.267 176.289 176.117 -0.158 0.000 1.497 262 I CA -0.600 60.635 61.300 -0.109 0.000 0.936 262 I CB -0.485 37.485 38.000 -0.051 0.000 1.671 262 I HN 0.085 nan 8.210 nan 0.000 0.535 263 W N 1.789 122.944 121.300 -0.242 0.000 2.158 263 W HA 0.305 4.965 4.660 0.000 0.000 0.339 263 W C 0.180 176.623 176.519 -0.126 0.000 1.294 263 W CA -0.321 56.887 57.345 -0.227 0.000 1.231 263 W CB -0.201 29.073 29.460 -0.310 0.000 1.143 263 W HN 0.466 nan 8.180 nan 0.000 0.571 264 E N 0.786 120.988 120.200 0.004 0.000 2.183 264 E HA -0.225 4.125 4.350 0.000 0.000 0.196 264 E C 0.169 176.629 176.600 -0.234 0.000 1.364 264 E CA 0.354 56.700 56.400 -0.090 0.000 0.700 264 E CB -1.503 28.197 29.700 -0.001 0.000 1.106 264 E HN 0.496 nan 8.360 nan 0.000 0.347 265 C N 0.333 119.522 119.300 -0.185 0.000 2.881 265 C HA 0.331 4.791 4.460 0.000 0.000 0.290 265 C C 1.699 176.627 174.990 -0.104 0.000 1.362 265 C CA 0.220 59.134 59.018 -0.173 0.000 1.757 265 C CB -0.491 27.148 27.740 -0.169 0.000 2.265 265 C HN 0.914 nan 8.230 nan 0.000 0.600 266 G N 1.751 110.504 108.800 -0.078 0.000 2.160 266 G HA2 -0.249 3.712 3.960 0.000 0.000 0.251 266 G HA3 -0.249 3.712 3.960 0.000 0.000 0.251 266 G C -0.073 174.804 174.900 -0.037 0.000 1.008 266 G CA -0.015 45.054 45.100 -0.051 0.000 0.724 266 G HN 0.589 nan 8.290 nan 0.000 0.514 267 I N 1.585 122.134 120.570 -0.036 0.000 2.428 267 I HA 0.508 4.678 4.170 0.000 0.000 0.289 267 I C 1.233 177.348 176.117 -0.004 0.000 1.019 267 I CA 0.261 61.549 61.300 -0.019 0.000 1.351 267 I CB 1.331 39.320 38.000 -0.018 0.000 1.412 267 I HN 0.337 nan 8.210 nan 0.000 0.513 268 T N 1.715 116.272 114.554 0.005 0.000 2.804 268 T HA 0.564 4.914 4.350 0.000 0.000 0.272 268 T C 1.088 175.804 174.700 0.027 0.000 0.986 268 T CA -0.155 61.956 62.100 0.017 0.000 0.999 268 T CB 1.336 70.211 68.868 0.012 0.000 1.307 268 T HN 0.524 nan 8.240 nan 0.000 0.586 269 A N 0.500 123.341 122.820 0.035 0.000 1.948 269 A HA -0.092 4.228 4.320 0.000 0.000 0.220 269 A C 2.309 179.902 177.584 0.014 0.000 1.177 269 A CA 1.976 54.031 52.037 0.031 0.000 0.636 269 A CB -1.124 17.892 19.000 0.027 0.000 0.815 269 A HN 0.885 nan 8.150 nan 0.000 0.449 270 K N -1.111 119.294 120.400 0.009 0.000 2.009 270 K HA -0.147 4.174 4.320 0.000 0.000 0.210 270 K C 2.142 178.744 176.600 0.003 0.000 1.049 270 K CA 1.400 57.689 56.287 0.003 0.000 0.929 270 K CB -0.526 31.974 32.500 0.001 0.000 0.714 270 K HN 0.481 nan 8.250 nan 0.000 0.440 271 G N 0.522 109.325 108.800 0.004 0.000 2.422 271 G HA2 -0.264 3.696 3.960 0.000 0.000 0.218 271 G HA3 -0.264 3.696 3.960 0.000 0.000 0.218 271 G C 1.640 176.545 174.900 0.009 0.000 1.140 271 G CA 0.722 45.824 45.100 0.003 0.000 0.775 271 G HN 0.411 nan 8.290 nan 0.000 0.545 272 C N 0.966 120.276 119.300 0.016 0.000 2.413 272 C HA 0.064 4.524 4.460 0.000 0.000 0.276 272 C C 3.211 178.208 174.990 0.012 0.000 1.248 272 C CA 1.514 60.547 59.018 0.024 0.000 1.742 272 C CB -1.096 26.669 27.740 0.042 0.000 2.017 272 C HN 0.422 nan 8.230 nan 0.000 0.481 273 G N -0.404 108.398 108.800 0.004 0.000 2.422 273 G HA2 -0.180 3.780 3.960 0.000 0.000 0.218 273 G HA3 -0.180 3.780 3.960 0.000 0.000 0.218 273 G C 1.399 176.298 174.900 -0.002 0.000 1.146 273 G CA 1.142 46.239 45.100 -0.005 0.000 0.769 273 G HN 0.579 nan 8.290 nan 0.000 0.547 274 D N 0.081 120.483 120.400 0.002 0.000 2.117 274 D HA -0.075 4.565 4.640 0.000 0.000 0.198 274 D C 2.442 178.747 176.300 0.008 0.000 0.982 274 D CA 0.591 54.593 54.000 0.003 0.000 0.828 274 D CB -0.142 40.660 40.800 0.003 0.000 0.967 274 D HN 0.229 nan 8.370 nan 0.000 0.464 275 L N 0.822 122.052 121.223 0.012 0.000 2.083 275 L HA -0.152 4.188 4.340 0.000 0.000 0.209 275 L C 2.289 179.170 176.870 0.018 0.000 1.083 275 L CA 1.431 56.282 54.840 0.019 0.000 0.752 275 L CB -0.393 41.681 42.059 0.026 0.000 0.899 275 L HN 0.040 nan 8.230 nan 0.000 0.433 276 C N -0.530 118.777 119.300 0.011 0.000 2.419 276 C HA -0.094 4.366 4.460 0.000 0.000 0.281 276 C C 2.732 177.722 174.990 0.000 0.000 1.336 276 C CA 0.484 59.505 59.018 0.004 0.000 1.770 276 C CB -1.210 26.525 27.740 -0.008 0.000 1.929 276 C HN 0.492 nan 8.230 nan 0.000 0.509 277 R N 0.838 121.339 120.500 0.001 0.000 2.096 277 R HA -0.127 4.213 4.340 0.000 0.000 0.235 277 R C 2.247 178.550 176.300 0.005 0.000 1.127 277 R CA 1.858 57.959 56.100 0.001 0.000 0.968 277 R CB -0.568 29.733 30.300 0.002 0.000 0.861 277 R HN 0.644 nan 8.270 nan 0.000 0.440 278 V N -0.941 118.980 119.914 0.011 0.000 2.379 278 V HA -0.132 3.988 4.120 0.000 0.000 0.245 278 V C 1.945 178.046 176.094 0.012 0.000 1.044 278 V CA 1.358 63.667 62.300 0.016 0.000 1.036 278 V CB -0.468 31.370 31.823 0.025 0.000 0.664 278 V HN 0.020 nan 8.190 nan 0.000 0.453 279 L N 1.686 122.917 121.223 0.012 0.000 2.046 279 L HA -0.078 4.263 4.340 0.000 0.000 0.208 279 L C 2.940 179.803 176.870 -0.012 0.000 1.077 279 L CA 2.672 57.516 54.840 0.008 0.000 0.747 279 L CB -1.267 40.802 42.059 0.017 0.000 0.896 279 L HN 0.603 nan 8.230 nan 0.000 0.432 280 R N -0.439 120.053 120.500 -0.013 0.000 2.189 280 R HA 0.034 4.374 4.340 0.000 0.000 0.223 280 R C 1.864 178.150 176.300 -0.024 0.000 1.092 280 R CA 1.244 57.331 56.100 -0.022 0.000 0.989 280 R CB -0.579 29.711 30.300 -0.016 0.000 0.876 280 R HN 0.196 nan 8.270 nan 0.000 0.457 281 A N 0.651 123.462 122.820 -0.016 0.000 2.169 281 A HA 0.182 4.502 4.320 0.000 0.000 0.210 281 A C 0.106 177.679 177.584 -0.017 0.000 1.168 281 A CA 0.088 52.116 52.037 -0.014 0.000 0.813 281 A CB 0.379 19.375 19.000 -0.006 0.000 0.861 281 A HN 0.037 nan 8.150 nan 0.000 0.481 282 K N 1.123 121.513 120.400 -0.017 0.000 2.579 282 K HA 0.220 4.540 4.320 0.000 0.000 0.225 282 K C -0.055 176.526 176.600 -0.031 0.000 0.992 282 K CA -0.088 56.191 56.287 -0.013 0.000 1.018 282 K CB 1.439 33.944 32.500 0.008 0.000 1.249 282 K HN 0.429 nan 8.250 nan 0.000 0.489 283 E N 0.556 120.723 120.200 -0.055 0.000 2.265 283 E HA -0.176 4.174 4.350 0.000 0.000 0.196 283 E C 1.083 177.649 176.600 -0.057 0.000 0.996 283 E CA 1.558 57.901 56.400 -0.096 0.000 0.832 283 E CB -0.158 29.467 29.700 -0.125 0.000 0.756 283 E HN 0.335 nan 8.360 nan 0.000 0.491 284 S N 0.259 115.948 115.700 -0.017 0.000 2.419 284 S HA -0.102 4.369 4.470 0.000 0.000 0.233 284 S C 0.923 175.540 174.600 0.029 0.000 1.016 284 S CA 0.298 58.504 58.200 0.010 0.000 0.974 284 S CB -0.495 62.716 63.200 0.018 0.000 0.786 284 S HN 0.315 nan 8.310 nan 0.000 0.492 285 L N 2.365 123.605 121.223 0.028 0.000 2.456 285 L HA 0.318 4.659 4.340 0.000 0.000 0.277 285 L C 0.773 177.687 176.870 0.073 0.000 1.124 285 L CA 0.167 55.042 54.840 0.059 0.000 0.880 285 L CB 0.394 42.489 42.059 0.060 0.000 1.192 285 L HN -0.093 nan 8.230 nan 0.000 0.463 286 K N 3.335 123.798 120.400 0.106 0.000 2.365 286 K HA 0.278 4.598 4.320 0.000 0.000 0.195 286 K C -0.315 176.407 176.600 0.203 0.000 1.079 286 K CA 0.552 56.919 56.287 0.132 0.000 0.979 286 K CB 0.483 33.058 32.500 0.125 0.000 0.929 286 K HN 0.640 nan 8.250 nan 0.000 0.523 287 E N 0.912 121.260 120.200 0.246 0.000 2.246 287 E HA 0.377 4.727 4.350 0.000 0.000 0.266 287 E C -1.410 175.445 176.600 0.425 0.000 0.880 287 E CA -0.789 55.850 56.400 0.399 0.000 0.762 287 E CB 2.127 32.085 29.700 0.430 0.000 1.180 287 E HN -0.184 nan 8.360 nan 0.000 0.416 288 L N 1.818 123.312 121.223 0.452 0.000 2.439 288 L HA 0.438 4.778 4.340 0.000 0.000 0.270 288 L C -1.289 175.679 176.870 0.164 0.000 0.972 288 L CA -0.295 54.721 54.840 0.293 0.000 0.836 288 L CB 2.092 44.272 42.059 0.201 0.000 1.255 288 L HN 0.454 nan 8.230 nan 0.000 0.404 289 S N 5.162 120.724 115.700 -0.231 0.000 2.433 289 S HA 0.594 5.064 4.470 0.000 0.000 0.310 289 S C 0.176 174.640 174.600 -0.226 0.000 1.097 289 S CA -0.487 57.387 58.200 -0.544 0.000 1.103 289 S CB 0.568 62.701 63.200 -1.778 0.000 0.992 289 S HN 0.736 nan 8.310 nan 0.000 0.469 290 L N 4.038 125.212 121.223 -0.082 0.000 2.910 290 L HA 0.443 4.783 4.340 0.000 0.000 0.252 290 L C 1.049 177.903 176.870 -0.027 0.000 1.195 290 L CA -0.404 54.419 54.840 -0.028 0.000 1.003 290 L CB -0.028 42.048 42.059 0.028 0.000 1.328 290 L HN 0.753 nan 8.230 nan 0.000 0.540 291 A N 0.034 122.823 122.820 -0.051 0.000 2.565 291 A HA 0.359 4.679 4.320 0.000 0.000 0.237 291 A C 1.536 179.133 177.584 0.021 0.000 1.053 291 A CA 0.926 52.932 52.037 -0.051 0.000 0.755 291 A CB -0.214 18.719 19.000 -0.113 0.000 0.980 291 A HN 0.684 nan 8.150 nan 0.000 0.506 292 G N 1.893 110.674 108.800 -0.032 0.000 2.184 292 G HA2 -0.243 3.717 3.960 0.000 0.000 0.264 292 G HA3 -0.243 3.717 3.960 0.000 0.000 0.264 292 G C 0.173 175.066 174.900 -0.012 0.000 0.975 292 G CA 0.309 45.411 45.100 0.003 0.000 0.642 292 G HN 0.878 nan 8.290 nan 0.000 0.536 293 N N 0.722 119.402 118.700 -0.033 0.000 2.518 293 N HA 0.278 5.018 4.740 0.000 0.000 0.283 293 N C -0.012 175.468 175.510 -0.049 0.000 1.119 293 N CA -0.277 52.752 53.050 -0.034 0.000 0.983 293 N CB 1.105 39.578 38.487 -0.023 0.000 1.139 293 N HN 0.446 nan 8.380 nan 0.000 0.465 294 E N 2.958 123.142 120.200 -0.027 0.000 1.842 294 E HA 0.039 4.389 4.350 0.000 0.000 0.278 294 E C 0.756 177.370 176.600 0.024 0.000 1.171 294 E CA -0.131 56.261 56.400 -0.015 0.000 1.127 294 E CB -0.274 29.424 29.700 -0.003 0.000 1.100 294 E HN 0.503 nan 8.360 nan 0.000 0.456 295 L N 2.355 123.606 121.223 0.046 0.000 2.162 295 L HA 0.147 4.487 4.340 0.000 0.000 0.205 295 L C 1.387 178.386 176.870 0.214 0.000 1.086 295 L CA 0.551 55.481 54.840 0.149 0.000 0.778 295 L CB -0.788 41.436 42.059 0.275 0.000 0.928 295 L HN 0.674 nan 8.230 nan 0.000 0.446 296 G N 0.595 109.551 108.800 0.260 0.000 2.806 296 G HA2 -0.290 3.670 3.960 0.000 0.000 0.236 296 G HA3 -0.290 3.670 3.960 0.000 0.000 0.236 296 G C 0.073 175.185 174.900 0.354 0.000 1.387 296 G CA 0.030 45.305 45.100 0.292 0.000 0.884 296 G HN 0.220 nan 8.290 nan 0.000 0.560 297 D N -0.077 120.447 120.400 0.207 0.000 2.178 297 D HA -0.055 4.586 4.640 0.000 0.000 0.201 297 D C 2.153 178.426 176.300 -0.045 0.000 0.980 297 D CA 1.614 55.644 54.000 0.051 0.000 0.842 297 D CB -0.069 40.769 40.800 0.063 0.000 0.948 297 D HN 0.588 nan 8.370 nan 0.000 0.472 298 E N 0.815 121.016 120.200 0.002 0.000 2.077 298 E HA -0.112 4.238 4.350 0.000 0.000 0.193 298 E C 2.149 178.714 176.600 -0.058 0.000 0.989 298 E CA 1.711 58.085 56.400 -0.043 0.000 0.800 298 E CB -0.758 28.935 29.700 -0.011 0.000 0.746 298 E HN 0.218 nan 8.360 nan 0.000 0.452 299 G N 0.290 109.109 108.800 0.031 0.000 2.440 299 G HA2 -0.253 3.708 3.960 0.000 0.000 0.218 299 G HA3 -0.253 3.708 3.960 0.000 0.000 0.218 299 G C 1.737 176.621 174.900 -0.026 0.000 1.154 299 G CA 1.279 46.420 45.100 0.068 0.000 0.767 299 G HN 0.469 nan 8.290 nan 0.000 0.552 300 A N 0.626 123.335 122.820 -0.185 0.000 1.902 300 A HA -0.046 4.275 4.320 0.000 0.000 0.217 300 A C 2.322 179.576 177.584 -0.549 0.000 1.181 300 A CA 1.928 53.629 52.037 -0.559 0.000 0.623 300 A CB -0.473 17.918 19.000 -1.016 0.000 0.818 300 A HN 0.385 nan 8.150 nan 0.000 0.443 301 R N -0.318 119.893 120.500 -0.482 0.000 2.073 301 R HA -0.074 4.266 4.340 0.000 0.000 0.234 301 R C 2.018 178.074 176.300 -0.406 0.000 1.134 301 R CA 1.573 57.293 56.100 -0.633 0.000 0.952 301 R CB -0.440 29.487 30.300 -0.622 0.000 0.850 301 R HN 0.515 nan 8.270 nan 0.000 0.433 302 L N 0.704 121.777 121.223 -0.251 0.000 2.012 302 L HA -0.239 4.101 4.340 0.000 0.000 0.210 302 L C 2.528 179.314 176.870 -0.139 0.000 1.073 302 L CA 1.363 56.110 54.840 -0.154 0.000 0.748 302 L CB -0.474 41.533 42.059 -0.086 0.000 0.891 302 L HN 0.281 nan 8.230 nan 0.000 0.431 303 L N -1.214 119.922 121.223 -0.145 0.000 2.017 303 L HA -0.260 4.080 4.340 0.000 0.000 0.208 303 L C 2.734 179.515 176.870 -0.149 0.000 1.073 303 L CA 1.274 56.057 54.840 -0.096 0.000 0.745 303 L CB -0.599 41.444 42.059 -0.026 0.000 0.894 303 L HN 0.402 nan 8.230 nan 0.000 0.432 304 C N -0.257 118.861 119.300 -0.303 0.000 2.425 304 C HA -0.135 4.325 4.460 0.000 0.000 0.277 304 C C 2.622 177.521 174.990 -0.151 0.000 1.280 304 C CA 0.533 59.378 59.018 -0.287 0.000 1.744 304 C CB -0.787 26.685 27.740 -0.447 0.000 1.989 304 C HN 0.512 nan 8.230 nan 0.000 0.491 305 E N 0.325 120.431 120.200 -0.157 0.000 2.058 305 E HA -0.199 4.152 4.350 0.000 0.000 0.194 305 E C 2.138 178.706 176.600 -0.054 0.000 0.997 305 E CA 1.866 58.211 56.400 -0.091 0.000 0.801 305 E CB -0.275 29.364 29.700 -0.101 0.000 0.746 305 E HN 0.607 nan 8.360 nan 0.000 0.450 306 T N 1.333 115.854 114.554 -0.055 0.000 2.777 306 T HA -0.093 4.257 4.350 0.000 0.000 0.266 306 T C 1.867 176.562 174.700 -0.009 0.000 1.040 306 T CA 0.751 62.834 62.100 -0.028 0.000 1.141 306 T CB -0.134 68.720 68.868 -0.024 0.000 0.868 306 T HN 0.082 nan 8.240 nan 0.000 0.444 307 L N 0.384 121.604 121.223 -0.005 0.000 2.362 307 L HA 0.098 4.438 4.340 0.000 0.000 0.219 307 L C 1.701 178.602 176.870 0.052 0.000 1.134 307 L CA 0.750 55.610 54.840 0.035 0.000 0.807 307 L CB -0.296 41.791 42.059 0.046 0.000 0.927 307 L HN 0.253 nan 8.230 nan 0.000 0.447 308 L N -0.930 120.307 121.223 0.024 0.000 2.628 308 L HA 0.159 4.500 4.340 0.000 0.000 0.229 308 L C 0.232 177.124 176.870 0.036 0.000 1.137 308 L CA -0.047 54.814 54.840 0.036 0.000 0.909 308 L CB 0.123 42.192 42.059 0.017 0.000 1.137 308 L HN 0.173 nan 8.230 nan 0.000 0.470 309 E N -0.147 120.069 120.200 0.028 0.000 2.191 309 E HA 0.206 4.556 4.350 0.000 0.000 0.274 309 E C -1.625 174.992 176.600 0.029 0.000 0.948 309 E CA -1.906 54.507 56.400 0.021 0.000 0.802 309 E CB 1.555 31.256 29.700 0.002 0.000 1.137 309 E HN -0.171 nan 8.360 nan 0.000 0.397 310 P HA -0.226 nan 4.420 nan 0.000 0.217 310 P C 1.203 178.481 177.300 -0.035 0.000 1.158 310 P CA 1.458 64.584 63.100 0.043 0.000 0.887 310 P CB 0.140 31.863 31.700 0.038 0.000 0.792 311 G N -1.784 106.984 108.800 -0.053 0.000 2.511 311 G HA2 -0.149 3.811 3.960 0.000 0.000 0.217 311 G HA3 -0.149 3.811 3.960 0.000 0.000 0.217 311 G C 0.294 175.104 174.900 -0.150 0.000 1.133 311 G CA -0.005 45.040 45.100 -0.091 0.000 0.792 311 G HN 0.405 nan 8.290 nan 0.000 0.539 312 C N 1.781 121.002 119.300 -0.132 0.000 2.619 312 C HA 0.416 4.876 4.460 0.000 0.000 0.389 312 C C 1.043 175.835 174.990 -0.330 0.000 1.314 312 C CA -0.351 58.578 59.018 -0.149 0.000 1.678 312 C CB -0.791 26.915 27.740 -0.057 0.000 2.398 312 C HN 0.543 nan 8.230 nan 0.000 0.582 313 Q N 3.956 123.518 119.800 -0.396 0.000 2.165 313 Q HA 0.176 4.516 4.340 0.000 0.000 0.245 313 Q C -0.163 175.758 176.000 -0.132 0.000 0.841 313 Q CA -0.569 54.862 55.803 -0.621 0.000 1.078 313 Q CB 0.479 28.764 28.738 -0.754 0.000 1.169 313 Q HN 0.726 nan 8.270 nan 0.000 0.475 314 L N 1.619 122.829 121.223 -0.022 0.000 2.578 314 L HA -0.132 4.208 4.340 0.000 0.000 0.279 314 L C 1.242 178.206 176.870 0.157 0.000 1.227 314 L CA 1.293 56.187 54.840 0.090 0.000 0.900 314 L CB 0.574 42.695 42.059 0.104 0.000 1.144 314 L HN 0.254 nan 8.230 nan 0.000 0.496 315 E N 1.234 121.540 120.200 0.176 0.000 2.340 315 E HA 0.091 4.441 4.350 0.000 0.000 0.198 315 E C -0.227 176.479 176.600 0.177 0.000 0.961 315 E CA 0.150 56.664 56.400 0.190 0.000 0.905 315 E CB 0.564 30.376 29.700 0.186 0.000 0.884 315 E HN 0.548 nan 8.360 nan 0.000 0.491 316 S N 0.413 116.239 115.700 0.210 0.000 2.614 316 S HA 0.486 4.956 4.470 0.000 0.000 0.288 316 S C -1.692 173.020 174.600 0.187 0.000 1.137 316 S CA -0.812 57.504 58.200 0.192 0.000 0.992 316 S CB 1.249 64.704 63.200 0.424 0.000 1.026 316 S HN 0.175 nan 8.310 nan 0.000 0.486 317 L N 5.588 126.791 121.223 -0.033 0.000 2.349 317 L HA 0.772 5.112 4.340 0.000 0.000 0.278 317 L C -1.983 174.751 176.870 -0.228 0.000 0.996 317 L CA -0.238 54.615 54.840 0.021 0.000 0.825 317 L CB 1.021 43.145 42.059 0.107 0.000 1.243 317 L HN 0.792 nan 8.230 nan 0.000 0.412 318 W N 5.801 127.066 121.300 -0.059 0.000 2.299 318 W HA 0.546 5.206 4.660 0.000 0.000 0.319 318 W C 0.106 176.525 176.519 -0.166 0.000 1.008 318 W CA -0.785 56.447 57.345 -0.188 0.000 1.384 318 W CB 1.439 30.671 29.460 -0.380 0.000 1.220 318 W HN 0.396 nan 8.180 nan 0.000 0.402 319 V N 0.978 120.901 119.914 0.015 0.000 2.778 319 V HA 0.257 4.378 4.120 0.000 0.000 0.356 319 V C 0.310 176.312 176.094 -0.153 0.000 1.283 319 V CA -1.022 61.270 62.300 -0.012 0.000 1.247 319 V CB -0.267 31.689 31.823 0.222 0.000 1.408 319 V HN 0.398 nan 8.190 nan 0.000 0.620 320 K N 0.842 121.166 120.400 -0.126 0.000 2.382 320 K HA 0.303 4.623 4.320 0.000 0.000 0.275 320 K C 0.630 177.126 176.600 -0.174 0.000 1.009 320 K CA 0.891 57.095 56.287 -0.138 0.000 0.970 320 K CB 0.514 32.947 32.500 -0.113 0.000 0.934 320 K HN 0.534 nan 8.250 nan 0.000 0.479 321 S N 1.961 117.554 115.700 -0.179 0.000 3.706 321 S HA -0.142 4.328 4.470 0.000 0.000 0.363 321 S C 0.136 174.592 174.600 -0.239 0.000 0.999 321 S CA 0.540 58.642 58.200 -0.164 0.000 1.143 321 S CB -1.854 61.289 63.200 -0.094 0.000 0.902 321 S HN 0.716 nan 8.310 nan 0.000 0.476 322 C N 1.136 120.157 119.300 -0.465 0.000 3.000 322 C HA 0.413 4.873 4.460 0.000 0.000 0.286 322 C C 1.412 176.102 174.990 -0.499 0.000 1.343 322 C CA 0.196 58.839 59.018 -0.625 0.000 1.742 322 C CB -1.121 25.925 27.740 -1.158 0.000 2.200 322 C HN 0.896 nan 8.230 nan 0.000 0.621 323 S N 0.758 116.297 115.700 -0.269 0.000 3.698 323 S HA -0.159 4.311 4.470 0.000 0.000 0.338 323 S C -0.167 174.513 174.600 0.134 0.000 1.089 323 S CA 0.378 58.550 58.200 -0.047 0.000 0.991 323 S CB -1.412 61.788 63.200 0.000 0.000 0.909 323 S HN 0.564 nan 8.310 nan 0.000 0.485 324 F N 2.021 122.007 119.950 0.060 0.000 2.382 324 F HA 0.582 5.110 4.527 0.000 0.000 0.331 324 F C 1.469 177.312 175.800 0.071 0.000 1.121 324 F CA -0.731 57.320 58.000 0.086 0.000 1.183 324 F CB 0.500 39.573 39.000 0.121 0.000 1.207 324 F HN 0.264 nan 8.300 nan 0.000 0.555 325 T N -1.913 112.809 114.554 0.279 0.000 2.883 325 T HA 0.668 5.019 4.350 0.000 0.000 0.284 325 T C 0.898 175.684 174.700 0.143 0.000 1.041 325 T CA -0.258 61.942 62.100 0.167 0.000 1.007 325 T CB 1.368 70.307 68.868 0.119 0.000 1.220 325 T HN 0.548 nan 8.240 nan 0.000 0.552 326 A N 0.210 123.090 122.820 0.100 0.000 2.024 326 A HA 0.193 4.514 4.320 0.000 0.000 0.220 326 A C 2.504 180.130 177.584 0.071 0.000 1.164 326 A CA 1.956 54.041 52.037 0.079 0.000 0.643 326 A CB -1.576 17.457 19.000 0.055 0.000 0.806 326 A HN 1.336 nan 8.150 nan 0.000 0.451 327 A N -0.391 122.472 122.820 0.072 0.000 2.076 327 A HA -0.181 4.139 4.320 0.000 0.000 0.220 327 A C 2.259 179.892 177.584 0.082 0.000 1.160 327 A CA 1.675 53.748 52.037 0.060 0.000 0.653 327 A CB -1.434 17.604 19.000 0.063 0.000 0.801 327 A HN 1.282 nan 8.150 nan 0.000 0.455 328 C N -2.963 116.403 119.300 0.109 0.000 2.539 328 C HA 0.085 4.545 4.460 0.000 0.000 0.268 328 C C 2.371 177.471 174.990 0.183 0.000 1.395 328 C CA 0.189 59.283 59.018 0.126 0.000 1.757 328 C CB -2.135 25.608 27.740 0.005 0.000 1.851 328 C HN 0.604 nan 8.230 nan 0.000 0.545 329 C N 2.341 121.727 119.300 0.144 0.000 2.432 329 C HA -0.032 4.428 4.460 0.000 0.000 0.282 329 C C 3.225 178.254 174.990 0.065 0.000 1.388 329 C CA 1.728 60.836 59.018 0.151 0.000 1.777 329 C CB -1.385 26.412 27.740 0.094 0.000 1.882 329 C HN 0.875 nan 8.230 nan 0.000 0.520 330 S N -0.107 115.550 115.700 -0.071 0.000 2.436 330 S HA -0.124 4.346 4.470 0.000 0.000 0.228 330 S C 1.573 176.038 174.600 -0.224 0.000 1.014 330 S CA 0.977 59.077 58.200 -0.166 0.000 0.950 330 S CB -0.645 62.407 63.200 -0.246 0.000 0.784 330 S HN 0.706 nan 8.310 nan 0.000 0.504 331 H N 0.622 119.645 119.070 -0.078 0.000 2.299 331 H HA 0.082 4.638 4.556 0.000 0.000 0.302 331 H C 1.771 176.981 175.328 -0.197 0.000 1.078 331 H CA 1.497 57.434 56.048 -0.185 0.000 1.323 331 H CB -0.715 28.850 29.762 -0.327 0.000 1.381 331 H HN 0.471 nan 8.280 nan 0.000 0.498 332 F N 0.933 120.911 119.950 0.046 0.000 2.171 332 F HA -0.182 4.345 4.527 0.000 0.000 0.300 332 F C 2.973 178.777 175.800 0.006 0.000 1.090 332 F CA 1.163 59.170 58.000 0.012 0.000 1.293 332 F CB -0.529 38.467 39.000 -0.006 0.000 1.013 332 F HN 0.059 nan 8.300 nan 0.000 0.486 333 S N -0.528 115.274 115.700 0.171 0.000 2.359 333 S HA -0.204 4.267 4.470 0.000 0.000 0.224 333 S C 2.360 176.992 174.600 0.053 0.000 1.035 333 S CA 1.884 60.134 58.200 0.085 0.000 1.018 333 S CB -0.482 62.740 63.200 0.037 0.000 0.876 333 S HN 0.346 nan 8.310 nan 0.000 0.448 334 S N 0.716 116.433 115.700 0.028 0.000 2.382 334 S HA -0.070 4.400 4.470 0.000 0.000 0.228 334 S C 1.904 176.526 174.600 0.036 0.000 1.027 334 S CA 1.308 59.519 58.200 0.019 0.000 0.991 334 S CB -0.548 62.656 63.200 0.005 0.000 0.823 334 S HN 0.427 nan 8.310 nan 0.000 0.469 335 V N 2.409 122.356 119.914 0.054 0.000 2.287 335 V HA -0.179 3.942 4.120 0.000 0.000 0.248 335 V C 2.199 178.344 176.094 0.084 0.000 1.053 335 V CA 1.600 63.945 62.300 0.075 0.000 1.027 335 V CB -0.807 31.081 31.823 0.109 0.000 0.646 335 V HN 0.442 nan 8.190 nan 0.000 0.447 336 L N 0.043 121.322 121.223 0.094 0.000 2.131 336 L HA -0.136 4.204 4.340 0.000 0.000 0.210 336 L C 2.598 179.490 176.870 0.037 0.000 1.092 336 L CA 1.520 56.400 54.840 0.067 0.000 0.759 336 L CB -0.730 41.367 42.059 0.063 0.000 0.903 336 L HN 0.380 nan 8.230 nan 0.000 0.435 337 A N -0.953 121.886 122.820 0.032 0.000 2.016 337 A HA -0.102 4.218 4.320 0.000 0.000 0.217 337 A C 2.087 179.679 177.584 0.013 0.000 1.162 337 A CA 0.985 53.032 52.037 0.016 0.000 0.662 337 A CB -0.014 18.992 19.000 0.011 0.000 0.812 337 A HN 0.504 nan 8.150 nan 0.000 0.450 338 Q N -1.409 118.405 119.800 0.023 0.000 2.404 338 Q HA 0.108 4.449 4.340 0.000 0.000 0.262 338 Q C 0.304 176.321 176.000 0.030 0.000 0.846 338 Q CA -0.364 55.452 55.803 0.022 0.000 0.978 338 Q CB 0.268 29.021 28.738 0.026 0.000 1.156 338 Q HN 0.544 nan 8.270 nan 0.000 0.548 339 N N 1.189 119.919 118.700 0.050 0.000 2.514 339 N HA 0.043 4.784 4.740 0.000 0.000 0.277 339 N C 0.055 175.581 175.510 0.026 0.000 1.126 339 N CA 0.281 53.380 53.050 0.081 0.000 0.978 339 N CB 0.752 39.313 38.487 0.123 0.000 1.106 339 N HN 0.016 nan 8.380 nan 0.000 0.461 340 R N 3.179 123.647 120.500 -0.053 0.000 2.509 340 R HA 0.161 4.501 4.340 0.000 0.000 0.300 340 R C 0.204 176.253 176.300 -0.418 0.000 0.985 340 R CA -0.048 55.901 56.100 -0.253 0.000 1.092 340 R CB -0.199 29.881 30.300 -0.367 0.000 1.237 340 R HN 0.548 nan 8.270 nan 0.000 0.546 341 F N -0.413 119.561 119.950 0.040 0.000 2.592 341 F HA 0.197 4.724 4.527 0.001 0.000 0.280 341 F C 0.931 176.764 175.800 0.055 0.000 1.083 341 F CA -0.492 57.536 58.000 0.047 0.000 1.365 341 F CB 0.050 39.080 39.000 0.050 0.000 1.100 341 F HN -0.151 nan 8.300 nan 0.000 0.633 342 L N 1.785 123.149 121.223 0.235 0.000 2.530 342 L HA 0.079 4.419 4.340 0.000 0.000 0.273 342 L C 0.373 177.308 176.870 0.109 0.000 1.141 342 L CA 0.548 55.487 54.840 0.166 0.000 0.905 342 L CB 0.161 42.310 42.059 0.150 0.000 1.202 342 L HN 0.196 nan 8.230 nan 0.000 0.473 343 L N 3.328 124.613 121.223 0.104 0.000 2.515 343 L HA 0.336 4.676 4.340 0.000 0.000 0.223 343 L C 0.432 177.334 176.870 0.052 0.000 1.079 343 L CA 0.029 54.912 54.840 0.073 0.000 0.857 343 L CB 0.171 42.280 42.059 0.083 0.000 1.050 343 L HN 0.646 nan 8.230 nan 0.000 0.476 344 E N 1.134 121.364 120.200 0.050 0.000 2.263 344 E HA 0.414 4.764 4.350 0.000 0.000 0.268 344 E C -1.634 174.925 176.600 -0.068 0.000 0.884 344 E CA -0.631 55.773 56.400 0.007 0.000 0.766 344 E CB 2.272 31.992 29.700 0.033 0.000 1.196 344 E HN -0.086 nan 8.360 nan 0.000 0.416 345 L N 4.315 125.511 121.223 -0.043 0.000 2.342 345 L HA 0.351 4.691 4.340 0.000 0.000 0.276 345 L C -1.135 175.709 176.870 -0.043 0.000 0.997 345 L CA -0.203 54.584 54.840 -0.089 0.000 0.838 345 L CB 1.613 43.642 42.059 -0.050 0.000 1.224 345 L HN 0.646 nan 8.230 nan 0.000 0.416 346 Q N 4.973 124.593 119.800 -0.300 0.000 2.377 346 Q HA 0.339 4.680 4.340 0.000 0.000 0.249 346 Q C -0.160 175.741 176.000 -0.165 0.000 1.005 346 Q CA 0.092 55.703 55.803 -0.320 0.000 0.912 346 Q CB 0.806 29.064 28.738 -0.801 0.000 1.223 346 Q HN 0.869 nan 8.270 nan 0.000 0.459 347 I N 2.547 123.073 120.570 -0.073 0.000 3.833 347 I HA 0.182 4.353 4.170 0.000 0.000 0.328 347 I C -0.471 175.630 176.117 -0.028 0.000 1.554 347 I CA -0.053 61.200 61.300 -0.078 0.000 1.116 347 I CB 0.705 38.593 38.000 -0.186 0.000 1.182 347 I HN 0.463 nan 8.210 nan 0.000 0.459 348 S N 0.941 116.636 115.700 -0.008 0.000 2.580 348 S HA 0.091 4.562 4.470 0.000 0.000 0.266 348 S C 0.493 175.084 174.600 -0.015 0.000 1.354 348 S CA 0.140 58.355 58.200 0.024 0.000 1.008 348 S CB 0.350 63.582 63.200 0.053 0.000 0.898 348 S HN 0.643 nan 8.310 nan 0.000 0.555 349 N N 1.156 119.857 118.700 0.003 0.000 2.740 349 N HA -0.159 4.581 4.740 0.000 0.000 0.248 349 N C -1.233 174.258 175.510 -0.031 0.000 1.062 349 N CA 0.563 53.606 53.050 -0.013 0.000 0.704 349 N CB -1.277 37.191 38.487 -0.031 0.000 0.968 349 N HN 0.444 nan 8.380 nan 0.000 0.547 350 N N -0.008 118.690 118.700 -0.003 0.000 2.229 350 N HA 0.283 5.023 4.740 0.000 0.000 0.298 350 N C -0.406 175.138 175.510 0.057 0.000 1.114 350 N CA -0.674 52.388 53.050 0.020 0.000 0.776 350 N CB 1.300 39.825 38.487 0.064 0.000 1.501 350 N HN 0.112 nan 8.380 nan 0.000 0.474 351 R N 1.947 122.491 120.500 0.072 0.000 4.164 351 R HA 0.232 4.572 4.340 0.000 0.000 0.195 351 R C 1.168 177.517 176.300 0.082 0.000 1.712 351 R CA 0.036 56.176 56.100 0.067 0.000 1.457 351 R CB -0.249 30.087 30.300 0.060 0.000 1.387 351 R HN 0.436 nan 8.270 nan 0.000 0.785 352 L N 0.465 121.735 121.223 0.078 0.000 2.179 352 L HA -0.032 4.308 4.340 0.000 0.000 0.208 352 L C 0.304 177.209 176.870 0.058 0.000 1.096 352 L CA 0.498 55.385 54.840 0.079 0.000 0.779 352 L CB -0.285 41.815 42.059 0.068 0.000 0.922 352 L HN 0.447 nan 8.230 nan 0.000 0.443 353 E N -0.248 119.981 120.200 0.048 0.000 9.214 353 E HA -0.221 4.129 4.350 0.000 0.000 0.465 353 E C 0.119 176.739 176.600 0.033 0.000 1.407 353 E CA 0.778 57.202 56.400 0.039 0.000 2.446 353 E CB -0.636 29.086 29.700 0.037 0.000 1.031 353 E HN 0.149 nan 8.360 nan 0.000 0.329 354 D N 0.229 120.646 120.400 0.028 0.000 2.133 354 D HA -0.178 4.462 4.640 0.000 0.000 0.195 354 D C 1.728 178.039 176.300 0.020 0.000 0.997 354 D CA 2.275 56.288 54.000 0.022 0.000 0.840 354 D CB -0.209 40.603 40.800 0.020 0.000 0.947 354 D HN 0.529 nan 8.370 nan 0.000 0.452 355 A N 0.982 123.814 122.820 0.021 0.000 1.883 355 A HA -0.094 4.227 4.320 0.000 0.000 0.217 355 A C 2.434 180.030 177.584 0.021 0.000 1.186 355 A CA 2.338 54.386 52.037 0.018 0.000 0.624 355 A CB -1.122 17.889 19.000 0.019 0.000 0.822 355 A HN 0.324 nan 8.150 nan 0.000 0.444 356 G N -0.818 108.000 108.800 0.030 0.000 2.402 356 G HA2 -0.065 3.896 3.960 0.000 0.000 0.216 356 G HA3 -0.065 3.896 3.960 0.000 0.000 0.216 356 G C 1.505 176.424 174.900 0.032 0.000 1.162 356 G CA 1.162 46.285 45.100 0.039 0.000 0.777 356 G HN 0.321 nan 8.290 nan 0.000 0.539 357 V N 0.805 120.735 119.914 0.026 0.000 2.343 357 V HA -0.185 3.936 4.120 0.000 0.000 0.247 357 V C 2.932 179.032 176.094 0.011 0.000 1.051 357 V CA 1.959 64.269 62.300 0.017 0.000 1.036 357 V CB -0.478 31.355 31.823 0.016 0.000 0.654 357 V HN 0.322 nan 8.190 nan 0.000 0.451 358 R N -0.244 120.261 120.500 0.009 0.000 2.105 358 R HA -0.191 4.150 4.340 0.000 0.000 0.239 358 R C 2.304 178.606 176.300 0.003 0.000 1.135 358 R CA 1.696 57.798 56.100 0.003 0.000 0.967 358 R CB -0.333 29.969 30.300 0.003 0.000 0.861 358 R HN 0.630 nan 8.270 nan 0.000 0.442 359 E N 0.755 120.960 120.200 0.008 0.000 2.051 359 E HA -0.172 4.178 4.350 0.000 0.000 0.192 359 E C 2.156 178.765 176.600 0.016 0.000 0.991 359 E CA 1.051 57.456 56.400 0.008 0.000 0.799 359 E CB -0.122 29.584 29.700 0.010 0.000 0.748 359 E HN 0.285 nan 8.360 nan 0.000 0.449 360 L N 0.469 121.707 121.223 0.026 0.000 2.043 360 L HA -0.281 4.059 4.340 0.000 0.000 0.212 360 L C 2.741 179.618 176.870 0.011 0.000 1.075 360 L CA 0.992 55.849 54.840 0.029 0.000 0.752 360 L CB -0.648 41.422 42.059 0.019 0.000 0.891 360 L HN 0.326 nan 8.230 nan 0.000 0.432 361 C N -0.439 118.861 119.300 -0.000 0.000 2.429 361 C HA -0.177 4.283 4.460 0.000 0.000 0.277 361 C C 2.870 177.852 174.990 -0.014 0.000 1.262 361 C CA 0.690 59.700 59.018 -0.012 0.000 1.733 361 C CB -0.858 26.873 27.740 -0.015 0.000 2.010 361 C HN 0.542 nan 8.230 nan 0.000 0.483 362 Q N 0.276 120.071 119.800 -0.008 0.000 2.077 362 Q HA -0.131 4.209 4.340 0.000 0.000 0.206 362 Q C 2.470 178.466 176.000 -0.007 0.000 0.989 362 Q CA 1.981 57.778 55.803 -0.009 0.000 0.853 362 Q CB -0.496 28.237 28.738 -0.008 0.000 0.907 362 Q HN 0.802 nan 8.270 nan 0.000 0.418 363 G N 0.738 109.539 108.800 0.002 0.000 2.404 363 G HA2 -0.235 3.725 3.960 0.000 0.000 0.215 363 G HA3 -0.235 3.725 3.960 0.000 0.000 0.215 363 G C 1.341 176.243 174.900 0.003 0.000 1.174 363 G CA 0.506 45.611 45.100 0.008 0.000 0.780 363 G HN 0.208 nan 8.290 nan 0.000 0.537 364 L N 1.706 122.929 121.223 -0.001 0.000 2.046 364 L HA 0.145 4.486 4.340 0.000 0.000 0.208 364 L C 2.790 179.640 176.870 -0.033 0.000 1.077 364 L CA 2.099 56.930 54.840 -0.015 0.000 0.747 364 L CB -1.013 41.033 42.059 -0.022 0.000 0.896 364 L HN 0.185 nan 8.230 nan 0.000 0.432 365 G N -1.029 107.749 108.800 -0.037 0.000 2.498 365 G HA2 -0.161 3.799 3.960 0.000 0.000 0.219 365 G HA3 -0.161 3.799 3.960 0.000 0.000 0.219 365 G C 0.751 175.629 174.900 -0.037 0.000 1.119 365 G CA -0.076 44.994 45.100 -0.049 0.000 0.766 365 G HN 0.408 nan 8.290 nan 0.000 0.552 366 Q N 1.100 120.887 119.800 -0.022 0.000 2.349 366 Q HA 0.126 4.466 4.340 0.000 0.000 0.287 366 Q C -2.137 173.855 176.000 -0.012 0.000 1.044 366 Q CA -1.469 54.326 55.803 -0.014 0.000 0.918 366 Q CB 0.458 29.192 28.738 -0.007 0.000 1.242 366 Q HN 0.206 nan 8.270 nan 0.000 0.405 367 P HA -0.000 nan 4.420 nan 0.000 0.268 367 P C 0.557 177.856 177.300 -0.002 0.000 1.205 367 P CA 0.711 63.812 63.100 0.001 0.000 0.771 367 P CB 0.507 32.209 31.700 0.004 0.000 0.858 368 G N 1.660 110.460 108.800 0.000 0.000 2.195 368 G HA2 -0.247 3.713 3.960 0.000 0.000 0.246 368 G HA3 -0.247 3.713 3.960 0.000 0.000 0.246 368 G C 0.293 175.186 174.900 -0.013 0.000 0.984 368 G CA 0.263 45.359 45.100 -0.007 0.000 0.633 368 G HN 0.871 nan 8.290 nan 0.000 0.525 369 S N -0.223 115.471 115.700 -0.009 0.000 2.562 369 S HA 0.493 4.963 4.470 0.000 0.000 0.281 369 S C 1.388 175.981 174.600 -0.011 0.000 1.333 369 S CA 0.342 58.536 58.200 -0.010 0.000 1.052 369 S CB 1.933 65.127 63.200 -0.011 0.000 0.884 369 S HN 1.660 nan 8.310 nan 0.000 0.506 370 V N -0.122 119.786 119.914 -0.011 0.000 3.556 370 V HA 0.404 4.524 4.120 0.000 0.000 0.287 370 V C 0.410 176.504 176.094 0.000 0.000 1.422 370 V CA -0.456 61.838 62.300 -0.011 0.000 1.038 370 V CB -0.675 31.131 31.823 -0.029 0.000 0.850 370 V HN 0.716 nan 8.190 nan 0.000 0.437 371 L N 1.863 123.088 121.223 0.004 0.000 2.559 371 L HA 0.224 4.564 4.340 0.000 0.000 0.282 371 L C 1.563 178.429 176.870 -0.008 0.000 1.232 371 L CA 1.058 55.901 54.840 0.006 0.000 0.885 371 L CB 0.403 42.464 42.059 0.003 0.000 1.131 371 L HN 0.221 nan 8.230 nan 0.000 0.498 372 R N 2.441 122.937 120.500 -0.006 0.000 2.221 372 R HA 0.296 4.637 4.340 0.000 0.000 0.195 372 R C -0.787 175.478 176.300 -0.058 0.000 0.956 372 R CA 0.145 56.233 56.100 -0.020 0.000 1.064 372 R CB 0.623 30.924 30.300 0.001 0.000 1.049 372 R HN 0.453 nan 8.270 nan 0.000 0.534 373 V N 2.047 121.920 119.914 -0.069 0.000 2.525 373 V HA 0.330 4.451 4.120 0.000 0.000 0.299 373 V C -1.401 174.602 176.094 -0.151 0.000 1.034 373 V CA -0.895 61.306 62.300 -0.165 0.000 0.863 373 V CB 2.060 33.789 31.823 -0.156 0.000 0.999 373 V HN -0.011 nan 8.190 nan 0.000 0.423 374 L N 5.569 126.660 121.223 -0.219 0.000 2.372 374 L HA 0.735 5.075 4.340 0.000 0.000 0.274 374 L C -1.636 175.158 176.870 -0.126 0.000 0.988 374 L CA -0.217 54.559 54.840 -0.106 0.000 0.833 374 L CB 1.414 43.430 42.059 -0.072 0.000 1.236 374 L HN 0.640 nan 8.230 nan 0.000 0.410 375 W N 6.638 127.875 121.300 -0.106 0.000 2.314 375 W HA 0.596 5.256 4.660 0.000 0.000 0.310 375 W C -0.190 176.294 176.519 -0.060 0.000 1.075 375 W CA -0.592 56.714 57.345 -0.065 0.000 1.253 375 W CB 0.743 30.165 29.460 -0.063 0.000 1.238 375 W HN 0.314 nan 8.180 nan 0.000 0.440 376 L N 3.845 125.162 121.223 0.157 0.000 3.186 376 L HA 0.437 4.777 4.340 0.000 0.000 0.292 376 L C 0.747 177.676 176.870 0.099 0.000 1.303 376 L CA -0.595 54.299 54.840 0.091 0.000 0.940 376 L CB -0.294 41.791 42.059 0.045 0.000 1.358 376 L HN 0.541 nan 8.230 nan 0.000 0.581 377 A N -0.190 122.715 122.820 0.141 0.000 2.440 377 A HA 0.241 4.561 4.320 0.000 0.000 0.251 377 A C 0.667 178.303 177.584 0.086 0.000 1.089 377 A CA 0.153 52.268 52.037 0.130 0.000 0.779 377 A CB 0.158 19.263 19.000 0.174 0.000 1.022 377 A HN 0.549 nan 8.150 nan 0.000 0.492 378 D N 0.382 120.827 120.400 0.075 0.000 2.705 378 D HA -0.162 4.478 4.640 0.000 0.000 0.240 378 D C 0.052 176.378 176.300 0.043 0.000 1.137 378 D CA 1.141 55.172 54.000 0.053 0.000 0.677 378 D CB -1.482 39.343 40.800 0.043 0.000 1.049 378 D HN 0.476 nan 8.370 nan 0.000 0.427 379 C N 1.220 120.548 119.300 0.047 0.000 2.647 379 C HA 0.179 4.639 4.460 0.000 0.000 0.296 379 C C 0.393 175.408 174.990 0.042 0.000 1.403 379 C CA -0.261 58.783 59.018 0.043 0.000 1.781 379 C CB -0.775 26.991 27.740 0.043 0.000 2.464 379 C HN 0.507 nan 8.230 nan 0.000 0.559 380 D N 0.675 121.099 120.400 0.041 0.000 2.708 380 D HA -0.125 4.515 4.640 0.000 0.000 0.236 380 D C -0.051 176.271 176.300 0.037 0.000 1.146 380 D CA 0.730 54.753 54.000 0.038 0.000 0.662 380 D CB -1.106 39.716 40.800 0.036 0.000 1.059 380 D HN 0.337 nan 8.370 nan 0.000 0.428 381 V N 0.130 120.068 119.914 0.040 0.000 2.509 381 V HA 0.574 4.694 4.120 0.000 0.000 0.284 381 V C 0.984 177.101 176.094 0.039 0.000 1.047 381 V CA -0.040 62.282 62.300 0.037 0.000 0.952 381 V CB 1.806 33.652 31.823 0.038 0.000 0.988 381 V HN 0.384 nan 8.190 nan 0.000 0.469 382 S N 1.623 117.342 115.700 0.033 0.000 2.745 382 S HA 0.405 4.875 4.470 0.000 0.000 0.306 382 S C 0.516 175.133 174.600 0.029 0.000 1.137 382 S CA -0.642 57.578 58.200 0.034 0.000 0.900 382 S CB 1.607 64.825 63.200 0.030 0.000 1.176 382 S HN 0.541 nan 8.310 nan 0.000 0.520 383 D N 1.442 121.859 120.400 0.028 0.000 2.254 383 D HA -0.080 4.560 4.640 0.000 0.000 0.201 383 D C 1.774 178.083 176.300 0.013 0.000 0.998 383 D CA 1.749 55.761 54.000 0.020 0.000 0.885 383 D CB -0.560 40.251 40.800 0.019 0.000 0.915 383 D HN 0.491 nan 8.370 nan 0.000 0.460 384 S N -0.551 115.158 115.700 0.015 0.000 2.474 384 S HA -0.085 4.386 4.470 0.000 0.000 0.235 384 S C 1.792 176.397 174.600 0.008 0.000 0.997 384 S CA 0.952 59.159 58.200 0.011 0.000 0.949 384 S CB -0.025 63.183 63.200 0.013 0.000 0.766 384 S HN 0.392 nan 8.310 nan 0.000 0.517 385 S N -0.714 114.993 115.700 0.010 0.000 2.557 385 S HA 0.147 4.617 4.470 0.000 0.000 0.223 385 S C 1.467 176.067 174.600 0.001 0.000 0.969 385 S CA -0.270 57.933 58.200 0.006 0.000 0.927 385 S CB -0.619 62.587 63.200 0.010 0.000 0.806 385 S HN 0.471 nan 8.310 nan 0.000 0.489 386 C N 2.681 121.982 119.300 0.001 0.000 2.435 386 C HA -0.020 4.440 4.460 0.000 0.000 0.279 386 C C 3.269 178.252 174.990 -0.012 0.000 1.321 386 C CA 1.069 60.084 59.018 -0.005 0.000 1.752 386 C CB -1.280 26.459 27.740 -0.002 0.000 1.959 386 C HN 0.845 nan 8.230 nan 0.000 0.500 387 S N 0.660 116.354 115.700 -0.010 0.000 2.382 387 S HA -0.146 4.325 4.470 0.000 0.000 0.228 387 S C 1.755 176.345 174.600 -0.016 0.000 1.027 387 S CA 1.894 60.086 58.200 -0.013 0.000 0.991 387 S CB -0.581 62.613 63.200 -0.010 0.000 0.823 387 S HN 0.581 nan 8.310 nan 0.000 0.469 388 S N 2.180 117.872 115.700 -0.013 0.000 2.356 388 S HA 0.120 4.590 4.470 0.000 0.000 0.223 388 S C 1.838 176.424 174.600 -0.022 0.000 1.032 388 S CA 1.330 59.521 58.200 -0.016 0.000 1.005 388 S CB -0.600 62.594 63.200 -0.010 0.000 0.867 388 S HN 0.440 nan 8.310 nan 0.000 0.449 389 L N 1.084 122.294 121.223 -0.021 0.000 2.046 389 L HA -0.136 4.204 4.340 0.000 0.000 0.208 389 L C 2.777 179.625 176.870 -0.036 0.000 1.077 389 L CA 1.248 56.071 54.840 -0.027 0.000 0.747 389 L CB -0.649 41.397 42.059 -0.021 0.000 0.896 389 L HN 0.321 nan 8.230 nan 0.000 0.432 390 A N -0.119 122.682 122.820 -0.032 0.000 1.902 390 A HA -0.170 4.150 4.320 0.000 0.000 0.217 390 A C 2.511 180.071 177.584 -0.040 0.000 1.181 390 A CA 1.726 53.741 52.037 -0.036 0.000 0.623 390 A CB -0.711 18.270 19.000 -0.031 0.000 0.818 390 A HN 0.409 nan 8.150 nan 0.000 0.443 391 A N -0.984 121.814 122.820 -0.037 0.000 1.902 391 A HA -0.075 4.245 4.320 0.000 0.000 0.217 391 A C 2.282 179.829 177.584 -0.060 0.000 1.181 391 A CA 2.234 54.247 52.037 -0.040 0.000 0.623 391 A CB -1.238 17.743 19.000 -0.031 0.000 0.818 391 A HN 0.428 nan 8.150 nan 0.000 0.443 392 T N 0.466 114.983 114.554 -0.062 0.000 2.833 392 T HA -0.050 4.301 4.350 0.000 0.000 0.269 392 T C 1.654 176.284 174.700 -0.118 0.000 1.054 392 T CA 1.310 63.361 62.100 -0.081 0.000 1.135 392 T CB -0.337 68.494 68.868 -0.062 0.000 0.869 392 T HN 0.359 nan 8.240 nan 0.000 0.466 393 L N 0.160 121.324 121.223 -0.097 0.000 2.362 393 L HA 0.089 4.429 4.340 0.000 0.000 0.219 393 L C 1.978 178.772 176.870 -0.127 0.000 1.134 393 L CA 0.763 55.542 54.840 -0.102 0.000 0.807 393 L CB -0.306 41.713 42.059 -0.067 0.000 0.927 393 L HN 0.284 nan 8.230 nan 0.000 0.447 394 L N -1.806 119.340 121.223 -0.128 0.000 2.425 394 L HA 0.153 4.493 4.340 0.000 0.000 0.215 394 L C 2.599 179.307 176.870 -0.270 0.000 1.065 394 L CA 0.508 55.281 54.840 -0.112 0.000 0.842 394 L CB -0.373 41.675 42.059 -0.018 0.000 1.033 394 L HN 0.096 nan 8.230 nan 0.000 0.474 395 A N -0.049 122.628 122.820 -0.240 0.000 1.878 395 A HA -0.064 4.257 4.320 0.000 0.000 0.213 395 A C 1.246 178.617 177.584 -0.356 0.000 1.192 395 A CA 0.540 52.450 52.037 -0.212 0.000 0.619 395 A CB -0.385 18.554 19.000 -0.100 0.000 0.837 395 A HN 0.407 nan 8.150 nan 0.000 0.446 396 N N -0.551 117.937 118.700 -0.353 0.000 2.530 396 N HA 0.143 4.883 4.740 0.000 0.000 0.277 396 N C -0.572 174.621 175.510 -0.529 0.000 1.168 396 N CA 0.104 52.975 53.050 -0.298 0.000 0.979 396 N CB 0.452 38.843 38.487 -0.159 0.000 1.141 396 N HN 0.420 nan 8.380 nan 0.000 0.459 397 H N -0.301 118.757 119.070 -0.021 0.000 2.916 397 H HA 0.123 4.680 4.556 0.000 0.000 0.262 397 H C 1.029 176.343 175.328 -0.023 0.000 1.178 397 H CA -0.112 55.923 56.048 -0.022 0.000 1.090 397 H CB 0.678 30.428 29.762 -0.021 0.000 1.657 397 H HN 0.655 nan 8.280 nan 0.000 0.601 398 S N -0.162 115.563 115.700 0.042 0.000 2.470 398 S HA 0.031 4.501 4.470 0.000 0.000 0.222 398 S C 0.775 175.374 174.600 -0.002 0.000 1.024 398 S CA -0.307 57.905 58.200 0.020 0.000 0.931 398 S CB 0.137 63.341 63.200 0.006 0.000 0.791 398 S HN 0.144 nan 8.310 nan 0.000 0.513 399 L N 2.778 123.987 121.223 -0.023 0.000 2.410 399 L HA 0.370 4.710 4.340 0.000 0.000 0.273 399 L C 1.167 178.012 176.870 -0.042 0.000 1.152 399 L CA 0.052 54.866 54.840 -0.043 0.000 0.855 399 L CB 0.567 42.589 42.059 -0.062 0.000 1.129 399 L HN 0.042 nan 8.230 nan 0.000 0.463 400 R N 2.494 122.961 120.500 -0.055 0.000 2.369 400 R HA 0.280 4.621 4.340 0.000 0.000 0.210 400 R C -0.297 175.950 176.300 -0.089 0.000 0.881 400 R CA 0.124 56.191 56.100 -0.055 0.000 1.031 400 R CB 0.374 30.651 30.300 -0.037 0.000 1.184 400 R HN 0.707 nan 8.270 nan 0.000 0.581 401 E N 0.652 120.773 120.200 -0.132 0.000 2.292 401 E HA 0.408 4.759 4.350 0.000 0.000 0.272 401 E C -1.816 174.637 176.600 -0.245 0.000 0.881 401 E CA -0.707 55.573 56.400 -0.201 0.000 0.754 401 E CB 1.617 31.155 29.700 -0.270 0.000 1.201 401 E HN -0.120 nan 8.360 nan 0.000 0.425 402 L N 3.858 124.944 121.223 -0.229 0.000 2.470 402 L HA 0.488 4.829 4.340 0.000 0.000 0.268 402 L C -1.865 174.897 176.870 -0.180 0.000 0.964 402 L CA -0.434 54.290 54.840 -0.194 0.000 0.839 402 L CB 1.912 43.900 42.059 -0.118 0.000 1.276 402 L HN 0.512 nan 8.230 nan 0.000 0.403 403 D N 4.731 125.033 120.400 -0.164 0.000 2.381 403 D HA 0.393 5.033 4.640 0.000 0.000 0.235 403 D C -0.267 176.057 176.300 0.040 0.000 1.068 403 D CA -0.025 53.944 54.000 -0.053 0.000 0.832 403 D CB 1.131 41.934 40.800 0.005 0.000 1.101 403 D HN 0.656 nan 8.370 nan 0.000 0.515 404 L N 2.266 123.519 121.223 0.050 0.000 3.168 404 L HA 0.241 4.581 4.340 0.000 0.000 0.277 404 L C 0.525 177.459 176.870 0.107 0.000 1.245 404 L CA -0.363 54.519 54.840 0.070 0.000 1.035 404 L CB 0.437 42.524 42.059 0.046 0.000 1.399 404 L HN 0.194 nan 8.230 nan 0.000 0.580 405 S N 1.037 116.824 115.700 0.144 0.000 2.558 405 S HA -0.061 4.409 4.470 0.000 0.000 0.287 405 S C 1.046 175.735 174.600 0.148 0.000 1.321 405 S CA 0.281 58.594 58.200 0.188 0.000 1.048 405 S CB 0.195 63.569 63.200 0.290 0.000 0.844 405 S HN 0.593 nan 8.310 nan 0.000 0.512 406 N N 1.482 120.262 118.700 0.134 0.000 2.754 406 N HA -0.171 4.569 4.740 0.000 0.000 0.248 406 N C -0.963 174.593 175.510 0.077 0.000 1.093 406 N CA 0.547 53.652 53.050 0.093 0.000 0.699 406 N CB -1.412 37.126 38.487 0.084 0.000 1.016 406 N HN 0.613 nan 8.380 nan 0.000 0.552 407 N N -0.949 117.800 118.700 0.083 0.000 2.525 407 N HA 0.395 5.135 4.740 0.000 0.000 0.288 407 N C -0.152 175.400 175.510 0.069 0.000 1.242 407 N CA -0.275 52.817 53.050 0.070 0.000 0.905 407 N CB 0.795 39.324 38.487 0.070 0.000 1.258 407 N HN 0.159 nan 8.380 nan 0.000 0.551 408 C N 1.603 120.940 119.300 0.060 0.000 2.439 408 C HA 0.388 4.848 4.460 0.000 0.000 0.411 408 C C 0.717 175.745 174.990 0.065 0.000 1.337 408 C CA -0.654 58.401 59.018 0.060 0.000 1.716 408 C CB -2.317 25.452 27.740 0.048 0.000 2.332 408 C HN 0.265 nan 8.230 nan 0.000 0.594 409 L N 1.123 122.394 121.223 0.079 0.000 2.375 409 L HA 0.673 5.013 4.340 0.000 0.000 0.271 409 L C 0.882 177.807 176.870 0.091 0.000 1.107 409 L CA 0.234 55.122 54.840 0.080 0.000 0.806 409 L CB 0.649 42.763 42.059 0.092 0.000 1.146 409 L HN 0.482 nan 8.230 nan 0.000 0.447 410 G N 0.156 108.998 108.800 0.069 0.000 3.013 410 G HA2 0.256 4.216 3.960 0.000 0.000 0.278 410 G HA3 0.256 4.216 3.960 0.000 0.000 0.278 410 G C -0.129 174.801 174.900 0.050 0.000 1.353 410 G CA -0.299 44.836 45.100 0.058 0.000 1.043 410 G HN 0.581 nan 8.290 nan 0.000 0.523 411 D N -0.067 120.349 120.400 0.026 0.000 2.157 411 D HA -0.202 4.438 4.640 0.000 0.000 0.191 411 D C 2.682 178.978 176.300 -0.006 0.000 1.004 411 D CA 2.201 56.206 54.000 0.007 0.000 0.854 411 D CB -0.214 40.578 40.800 -0.014 0.000 0.936 411 D HN 0.416 nan 8.370 nan 0.000 0.446 412 A N 0.080 122.899 122.820 -0.002 0.000 1.908 412 A HA -0.047 4.273 4.320 0.000 0.000 0.218 412 A C 2.367 179.947 177.584 -0.007 0.000 1.181 412 A CA 2.280 54.313 52.037 -0.006 0.000 0.627 412 A CB -1.067 17.933 19.000 -0.000 0.000 0.818 412 A HN 0.340 nan 8.150 nan 0.000 0.445 413 G N -0.459 108.344 108.800 0.004 0.000 2.396 413 G HA2 -0.059 3.901 3.960 0.000 0.000 0.214 413 G HA3 -0.059 3.901 3.960 0.000 0.000 0.214 413 G C 1.532 176.428 174.900 -0.007 0.000 1.166 413 G CA 0.887 45.989 45.100 0.004 0.000 0.793 413 G HN 0.445 nan 8.290 nan 0.000 0.533 414 I N 0.183 120.750 120.570 -0.004 0.000 2.226 414 I HA -0.138 4.032 4.170 0.000 0.000 0.245 414 I C 2.576 178.648 176.117 -0.075 0.000 1.100 414 I CA 0.553 61.830 61.300 -0.039 0.000 1.374 414 I CB -0.161 37.816 38.000 -0.039 0.000 1.057 414 I HN 0.161 nan 8.210 nan 0.000 0.413 415 L N 0.709 121.893 121.223 -0.065 0.000 2.013 415 L HA -0.292 4.048 4.340 0.000 0.000 0.212 415 L C 2.497 179.333 176.870 -0.056 0.000 1.073 415 L CA 1.950 56.749 54.840 -0.068 0.000 0.753 415 L CB -0.694 41.333 42.059 -0.053 0.000 0.890 415 L HN 0.256 nan 8.230 nan 0.000 0.432 416 Q N -0.895 118.881 119.800 -0.041 0.000 2.135 416 Q HA -0.209 4.131 4.340 0.000 0.000 0.204 416 Q C 2.275 178.250 176.000 -0.042 0.000 0.981 416 Q CA 1.894 57.675 55.803 -0.035 0.000 0.856 416 Q CB -0.275 28.448 28.738 -0.025 0.000 0.902 416 Q HN 0.562 nan 8.270 nan 0.000 0.425 417 L N -0.327 120.867 121.223 -0.049 0.000 2.027 417 L HA -0.176 4.164 4.340 0.000 0.000 0.206 417 L C 2.345 179.173 176.870 -0.070 0.000 1.074 417 L CA 0.808 55.614 54.840 -0.057 0.000 0.745 417 L CB -0.555 41.468 42.059 -0.059 0.000 0.898 417 L HN 0.104 nan 8.230 nan 0.000 0.433 418 V N -0.040 119.822 119.914 -0.087 0.000 2.392 418 V HA -0.285 3.836 4.120 0.000 0.000 0.249 418 V C 2.343 178.395 176.094 -0.070 0.000 1.059 418 V CA 1.808 64.051 62.300 -0.096 0.000 1.051 418 V CB -0.566 31.186 31.823 -0.119 0.000 0.658 418 V HN 0.456 nan 8.190 nan 0.000 0.455 419 E N -0.063 120.102 120.200 -0.059 0.000 2.118 419 E HA -0.180 4.170 4.350 0.000 0.000 0.195 419 E C 2.416 178.993 176.600 -0.038 0.000 0.992 419 E CA 1.619 57.992 56.400 -0.045 0.000 0.804 419 E CB -0.167 29.511 29.700 -0.038 0.000 0.741 419 E HN 0.531 nan 8.360 nan 0.000 0.458 420 S N 0.117 115.794 115.700 -0.040 0.000 2.348 420 S HA -0.114 4.356 4.470 0.000 0.000 0.219 420 S C 2.284 176.864 174.600 -0.033 0.000 1.033 420 S CA 1.089 59.270 58.200 -0.033 0.000 0.974 420 S CB -0.083 63.095 63.200 -0.036 0.000 0.868 420 S HN 0.331 nan 8.310 nan 0.000 0.459 421 V N 2.935 122.822 119.914 -0.045 0.000 2.759 421 V HA -0.089 4.032 4.120 0.000 0.000 0.256 421 V C 2.102 178.170 176.094 -0.043 0.000 1.080 421 V CA 1.752 64.025 62.300 -0.046 0.000 1.101 421 V CB -1.041 30.746 31.823 -0.061 0.000 0.698 421 V HN 0.547 nan 8.190 nan 0.000 0.477 422 R N 0.620 121.092 120.500 -0.046 0.000 2.235 422 R HA 0.007 4.347 4.340 0.000 0.000 0.213 422 R C 1.002 177.284 176.300 -0.030 0.000 1.059 422 R CA 0.451 56.525 56.100 -0.043 0.000 0.997 422 R CB -0.393 29.879 30.300 -0.048 0.000 0.884 422 R HN 0.632 nan 8.270 nan 0.000 0.462 423 Q N 1.286 121.073 119.800 -0.023 0.000 2.314 423 Q HA 0.110 4.450 4.340 0.000 0.000 0.258 423 Q C -1.884 174.110 176.000 -0.010 0.000 0.954 423 Q CA -1.955 53.839 55.803 -0.014 0.000 0.890 423 Q CB 1.432 30.167 28.738 -0.005 0.000 1.210 423 Q HN 0.018 nan 8.270 nan 0.000 0.410 424 P HA -0.185 nan 4.420 nan 0.000 0.217 424 P C 1.050 178.342 177.300 -0.012 0.000 1.148 424 P CA 1.390 64.480 63.100 -0.015 0.000 0.828 424 P CB 0.138 31.826 31.700 -0.019 0.000 0.783 425 G N -1.269 107.529 108.800 -0.003 0.000 2.471 425 G HA2 -0.203 3.757 3.960 0.000 0.000 0.219 425 G HA3 -0.203 3.757 3.960 0.000 0.000 0.219 425 G C 0.339 175.282 174.900 0.072 0.000 1.125 425 G CA 0.058 45.164 45.100 0.011 0.000 0.775 425 G HN 0.388 nan 8.290 nan 0.000 0.548 426 C N 1.378 120.711 119.300 0.055 0.000 2.464 426 C HA 0.536 4.997 4.460 0.000 0.000 0.370 426 C C 1.432 176.447 174.990 0.041 0.000 1.267 426 C CA -0.784 58.270 59.018 0.061 0.000 1.781 426 C CB -0.928 26.821 27.740 0.015 0.000 2.431 426 C HN 0.370 nan 8.230 nan 0.000 0.556 427 L N 5.836 127.100 121.223 0.069 0.000 2.741 427 L HA 0.227 4.568 4.340 0.000 0.000 0.237 427 L C 0.582 177.456 176.870 0.006 0.000 1.178 427 L CA -0.380 54.481 54.840 0.034 0.000 0.973 427 L CB -0.545 41.544 42.059 0.050 0.000 1.255 427 L HN 0.562 nan 8.230 nan 0.000 0.498 428 L N 0.886 122.104 121.223 -0.009 0.000 2.540 428 L HA -0.070 4.270 4.340 0.000 0.000 0.276 428 L C 1.182 178.028 176.870 -0.039 0.000 1.212 428 L CA 1.106 55.925 54.840 -0.035 0.000 0.893 428 L CB 0.405 42.434 42.059 -0.050 0.000 1.138 428 L HN 0.195 nan 8.230 nan 0.000 0.491 429 E N 2.299 122.471 120.200 -0.047 0.000 2.447 429 E HA 0.097 4.447 4.350 0.000 0.000 0.204 429 E C -0.199 176.366 176.600 -0.059 0.000 0.977 429 E CA 0.049 56.422 56.400 -0.045 0.000 0.950 429 E CB 0.580 30.259 29.700 -0.035 0.000 0.975 429 E HN 0.642 nan 8.360 nan 0.000 0.496 430 Q N 1.160 120.912 119.800 -0.080 0.000 2.268 430 Q HA 0.435 4.775 4.340 0.000 0.000 0.266 430 Q C -2.145 173.785 176.000 -0.117 0.000 1.006 430 Q CA -0.670 55.076 55.803 -0.096 0.000 0.824 430 Q CB 1.729 30.405 28.738 -0.104 0.000 1.306 430 Q HN 0.042 nan 8.270 nan 0.000 0.424 431 L N 4.547 125.704 121.223 -0.110 0.000 2.372 431 L HA 0.641 4.981 4.340 0.000 0.000 0.274 431 L C -1.774 175.028 176.870 -0.114 0.000 0.988 431 L CA -0.558 54.217 54.840 -0.109 0.000 0.833 431 L CB 2.027 44.029 42.059 -0.096 0.000 1.236 431 L HN 0.493 nan 8.230 nan 0.000 0.410 432 V N 6.746 126.592 119.914 -0.113 0.000 2.398 432 V HA 0.453 4.573 4.120 0.000 0.000 0.286 432 V C 0.238 176.298 176.094 -0.056 0.000 1.026 432 V CA -0.320 61.900 62.300 -0.133 0.000 0.868 432 V CB 1.488 33.255 31.823 -0.093 0.000 0.982 432 V HN 0.697 nan 8.190 nan 0.000 0.443 433 L N 4.643 125.819 121.223 -0.077 0.000 3.165 433 L HA 0.373 4.713 4.340 0.000 0.000 0.327 433 L C -0.696 176.258 176.870 0.140 0.000 1.294 433 L CA -0.289 54.617 54.840 0.110 0.000 0.838 433 L CB 0.280 42.487 42.059 0.247 0.000 1.274 433 L HN 0.507 nan 8.230 nan 0.000 0.590 434 Y N 0.707 121.081 120.300 0.124 0.000 2.578 434 Y HA -0.024 4.526 4.550 0.000 0.000 0.339 434 Y C 1.221 177.141 175.900 0.034 0.000 1.231 434 Y CA 0.223 58.367 58.100 0.073 0.000 1.461 434 Y CB 0.279 38.781 38.460 0.070 0.000 1.323 434 Y HN 0.274 nan 8.280 nan 0.000 0.590 435 D N 1.173 121.676 120.400 0.173 0.000 2.751 435 D HA -0.237 4.403 4.640 0.000 0.000 0.233 435 D C -0.811 175.497 176.300 0.013 0.000 1.149 435 D CA 0.892 54.922 54.000 0.049 0.000 0.682 435 D CB -1.139 39.694 40.800 0.055 0.000 1.068 435 D HN 0.369 nan 8.370 nan 0.000 0.429 436 I N 0.594 121.134 120.570 -0.050 0.000 2.433 436 I HA 0.187 4.358 4.170 0.000 0.000 0.292 436 I C 0.024 175.990 176.117 -0.251 0.000 1.001 436 I CA -1.120 60.164 61.300 -0.027 0.000 1.119 436 I CB 1.461 39.550 38.000 0.149 0.000 1.289 436 I HN -0.148 nan 8.210 nan 0.000 0.438 437 Y N 7.739 127.899 120.300 -0.234 0.000 2.327 437 Y HA 0.435 4.986 4.550 0.000 0.000 0.336 437 Y C -1.005 174.828 175.900 -0.113 0.000 1.035 437 Y CA -1.343 56.575 58.100 -0.304 0.000 1.165 437 Y CB 0.677 39.047 38.460 -0.150 0.000 1.181 437 Y HN 0.500 nan 8.280 nan 0.000 0.494 438 W N 3.632 124.728 121.300 -0.341 0.000 3.031 438 W HA 0.726 5.386 4.660 0.000 0.000 0.337 438 W C -0.639 175.574 176.519 -0.511 0.000 1.187 438 W CA -1.407 55.689 57.345 -0.415 0.000 1.166 438 W CB -0.268 29.095 29.460 -0.162 0.000 1.437 438 W HN 0.699 nan 8.180 nan 0.000 0.551 439 S N 0.422 116.060 115.700 -0.103 0.000 2.580 439 S HA -0.034 4.436 4.470 0.000 0.000 0.261 439 S C 1.126 175.802 174.600 0.127 0.000 1.366 439 S CA 0.552 58.723 58.200 -0.050 0.000 0.996 439 S CB 0.661 63.841 63.200 -0.033 0.000 0.902 439 S HN 0.737 nan 8.310 nan 0.000 0.566 440 E N 0.265 120.524 120.200 0.097 0.000 2.118 440 E HA -0.269 4.081 4.350 0.000 0.000 0.195 440 E C 1.739 178.385 176.600 0.077 0.000 0.992 440 E CA 1.363 57.828 56.400 0.108 0.000 0.804 440 E CB -0.398 29.350 29.700 0.081 0.000 0.741 440 E HN 0.861 nan 8.360 nan 0.000 0.458 441 E N 0.481 120.707 120.200 0.043 0.000 2.072 441 E HA -0.186 4.164 4.350 0.000 0.000 0.191 441 E C 2.076 178.668 176.600 -0.014 0.000 0.985 441 E CA 1.159 57.566 56.400 0.012 0.000 0.801 441 E CB -0.035 29.664 29.700 -0.000 0.000 0.750 441 E HN 0.202 nan 8.360 nan 0.000 0.452 442 M N 1.354 120.947 119.600 -0.012 0.000 2.159 442 M HA -0.159 4.322 4.480 0.000 0.000 0.263 442 M C 1.871 178.043 176.300 -0.213 0.000 1.063 442 M CA 1.705 56.936 55.300 -0.114 0.000 1.110 442 M CB -0.263 32.279 32.600 -0.096 0.000 1.374 442 M HN -0.008 nan 8.290 nan 0.000 0.411 443 E N 0.397 120.600 120.200 0.006 0.000 2.058 443 E HA -0.224 4.126 4.350 0.000 0.000 0.194 443 E C 1.561 178.153 176.600 -0.014 0.000 0.997 443 E CA 2.233 58.678 56.400 0.076 0.000 0.801 443 E CB -0.449 29.438 29.700 0.312 0.000 0.746 443 E HN 0.550 nan 8.360 nan 0.000 0.450 444 D N -0.179 120.221 120.400 0.000 0.000 2.123 444 D HA -0.187 4.453 4.640 0.000 0.000 0.196 444 D C 2.041 178.306 176.300 -0.058 0.000 0.992 444 D CA 1.164 55.154 54.000 -0.016 0.000 0.833 444 D CB -0.324 40.473 40.800 -0.006 0.000 0.954 444 D HN 0.195 nan 8.370 nan 0.000 0.455 445 R N 0.228 120.672 120.500 -0.092 0.000 2.081 445 R HA -0.050 4.291 4.340 0.000 0.000 0.235 445 R C 2.533 178.740 176.300 -0.154 0.000 1.131 445 R CA 0.693 56.724 56.100 -0.115 0.000 0.960 445 R CB -0.219 30.004 30.300 -0.129 0.000 0.856 445 R HN 0.174 nan 8.270 nan 0.000 0.436 446 L N 0.401 121.484 121.223 -0.233 0.000 2.093 446 L HA -0.174 4.166 4.340 0.000 0.000 0.208 446 L C 2.638 179.414 176.870 -0.156 0.000 1.085 446 L CA 1.045 55.724 54.840 -0.269 0.000 0.755 446 L CB -0.407 41.351 42.059 -0.501 0.000 0.904 446 L HN 0.259 nan 8.230 nan 0.000 0.435 447 Q N -0.192 119.548 119.800 -0.100 0.000 2.124 447 Q HA -0.178 4.162 4.340 0.000 0.000 0.202 447 Q C 2.397 178.368 176.000 -0.048 0.000 0.977 447 Q CA 1.683 57.457 55.803 -0.048 0.000 0.850 447 Q CB -0.217 28.513 28.738 -0.012 0.000 0.901 447 Q HN 0.558 nan 8.270 nan 0.000 0.429 448 A N 0.977 123.763 122.820 -0.057 0.000 1.898 448 A HA -0.146 4.174 4.320 0.000 0.000 0.216 448 A C 2.129 179.680 177.584 -0.056 0.000 1.181 448 A CA 1.073 53.081 52.037 -0.049 0.000 0.620 448 A CB -0.618 18.354 19.000 -0.047 0.000 0.819 448 A HN 0.330 nan 8.150 nan 0.000 0.442 449 L N 0.334 121.511 121.223 -0.077 0.000 2.013 449 L HA -0.215 4.125 4.340 0.000 0.000 0.212 449 L C 2.090 178.921 176.870 -0.066 0.000 1.073 449 L CA 2.665 57.458 54.840 -0.079 0.000 0.753 449 L CB -0.761 41.233 42.059 -0.109 0.000 0.890 449 L HN 0.537 nan 8.230 nan 0.000 0.432 450 E N -0.715 119.445 120.200 -0.066 0.000 2.051 450 E HA -0.213 4.137 4.350 0.000 0.000 0.192 450 E C 2.103 178.681 176.600 -0.036 0.000 0.991 450 E CA 1.358 57.728 56.400 -0.050 0.000 0.799 450 E CB -0.085 29.588 29.700 -0.045 0.000 0.748 450 E HN 0.362 nan 8.360 nan 0.000 0.449 451 K N 0.733 121.114 120.400 -0.031 0.000 2.057 451 K HA -0.120 4.200 4.320 0.000 0.000 0.206 451 K C 1.552 178.137 176.600 -0.025 0.000 1.050 451 K CA 1.110 57.383 56.287 -0.023 0.000 0.935 451 K CB -0.174 32.315 32.500 -0.020 0.000 0.715 451 K HN 0.128 nan 8.250 nan 0.000 0.439 452 D N 0.283 120.665 120.400 -0.031 0.000 2.213 452 D HA -0.056 4.584 4.640 0.000 0.000 0.205 452 D C 0.657 176.939 176.300 -0.029 0.000 0.961 452 D CA 0.893 54.876 54.000 -0.029 0.000 0.853 452 D CB 0.231 41.011 40.800 -0.033 0.000 0.967 452 D HN 0.048 nan 8.370 nan 0.000 0.496 453 K N 0.754 121.134 120.400 -0.034 0.000 2.762 453 K HA 0.182 4.502 4.320 0.000 0.000 0.180 453 K C -2.156 174.425 176.600 -0.031 0.000 1.067 453 K CA -1.445 54.823 56.287 -0.033 0.000 0.973 453 K CB 1.518 33.995 32.500 -0.038 0.000 1.290 453 K HN -0.214 nan 8.250 nan 0.000 0.604 454 P HA -0.127 nan 4.420 nan 0.000 0.226 454 P C 1.013 178.300 177.300 -0.022 0.000 1.153 454 P CA 0.866 63.952 63.100 -0.023 0.000 0.777 454 P CB 0.205 31.895 31.700 -0.017 0.000 0.794 455 S N -0.996 114.691 115.700 -0.022 0.000 2.442 455 S HA -0.100 4.370 4.470 0.000 0.000 0.236 455 S C 0.834 175.417 174.600 -0.028 0.000 1.007 455 S CA 0.230 58.417 58.200 -0.022 0.000 0.965 455 S CB -1.101 62.087 63.200 -0.020 0.000 0.773 455 S HN 0.093 nan 8.310 nan 0.000 0.504 456 L N 2.370 123.572 121.223 -0.034 0.000 2.265 456 L HA 0.526 4.867 4.340 0.000 0.000 0.289 456 L C -0.143 176.698 176.870 -0.048 0.000 1.033 456 L CA -0.765 54.048 54.840 -0.044 0.000 0.814 456 L CB 1.124 43.153 42.059 -0.051 0.000 1.203 456 L HN 0.160 nan 8.230 nan 0.000 0.423 457 R N 4.610 125.080 120.500 -0.049 0.000 2.207 457 R HA 0.574 4.914 4.340 0.000 0.000 0.334 457 R C -1.485 174.775 176.300 -0.067 0.000 1.013 457 R CA -0.585 55.486 56.100 -0.049 0.000 0.858 457 R CB 0.993 31.271 30.300 -0.038 0.000 1.094 457 R HN 0.581 nan 8.270 nan 0.000 0.457 458 V N 7.142 127.014 119.914 -0.070 0.000 2.407 458 V HA 0.341 4.461 4.120 0.000 0.000 0.278 458 V C 0.327 176.371 176.094 -0.084 0.000 1.037 458 V CA -0.444 61.804 62.300 -0.087 0.000 0.900 458 V CB 1.370 33.132 31.823 -0.102 0.000 0.983 458 V HN 0.691 nan 8.190 nan 0.000 0.459 459 I N 5.072 125.561 120.570 -0.135 0.000 2.433 459 I HA 0.698 4.868 4.170 0.000 0.000 0.292 459 I C 0.114 176.011 176.117 -0.367 0.000 1.001 459 I CA 0.044 61.211 61.300 -0.221 0.000 1.119 459 I CB 1.971 39.813 38.000 -0.262 0.000 1.289 459 I HN 0.823 nan 8.210 nan 0.000 0.438 460 S N 0.000 115.528 115.700 -0.287 0.000 2.498 460 S HA 0.000 4.470 4.470 0.000 0.000 0.327 460 S CA 0.000 58.070 58.200 -0.217 0.000 1.107 460 S CB 0.000 63.276 63.200 0.127 0.000 0.593 460 S HN 0.000 nan 8.310 nan 0.000 0.517