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 2uvn_1_B DATA FIRST_RESID 7 DATA SEQUENCE HEFQLATAET WPNPWPMYRA LRDHDPVHHV VPPQRPEYDY YVLSRHADVW DATA SEQUENCE SAARDHQTFS SAQGLTVNYG ELEMIGLHDT PPMVMQDPPV HTEFRKLVSR DATA SEQUENCE GFTPRQVETV EPTVRKFVVE RLEKLRANGG GDIVTELFKP LPSMVVAHYL DATA SEQUENCE GVPEEDWTQF DGWTQAIVAX XXXXXXTTGA LDAVGSMMAY FTGLIERRRT DATA SEQUENCE EPADDAISHL VAAGVGADGD TAGTLSILAF TFTMVTGGND TVTGMLGGSM DATA SEQUENCE PLLHRRPDQR RLLLDDPEGI PDAVEELLRL TSPVQGLART TTRDVTIGDT DATA SEQUENCE TIPAGRRVLL LYGSANRDER QYGPDAAELD VTRCPRNILT FSHGAHHCLG DATA SEQUENCE AAAARMQCRV ALTELLARCP DFEVAESRIV WSGGSYVRRP LSVPFRVTS 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 7 H HA 0.000 nan 4.556 nan 0.000 0.296 7 H C 0.000 175.327 175.328 -0.002 0.000 0.993 7 H CA 0.000 56.042 56.048 -0.010 0.000 1.023 7 H CB 0.000 29.736 29.762 -0.043 0.000 1.292 8 E N 0.495 120.690 120.200 -0.009 0.000 2.392 8 E HA 0.554 4.904 4.350 -0.000 0.000 0.259 8 E C -0.022 176.576 176.600 -0.003 0.000 1.108 8 E CA -0.042 56.361 56.400 0.005 0.000 0.916 8 E CB 0.546 30.261 29.700 0.025 0.000 0.989 8 E HN 1.319 nan 8.360 nan 0.000 0.432 9 F N 1.361 121.225 119.950 -0.144 0.000 2.545 9 F HA 0.368 4.895 4.527 -0.000 0.000 0.348 9 F C 0.745 176.525 175.800 -0.034 0.000 1.163 9 F CA 1.022 58.956 58.000 -0.109 0.000 1.331 9 F CB 0.632 39.512 39.000 -0.199 0.000 1.138 9 F HN 0.720 nan 8.300 nan 0.000 0.602 10 Q N 4.597 123.546 119.800 -1.419 0.000 2.574 10 Q HA 0.355 4.695 4.340 -0.000 0.000 0.265 10 Q C -2.047 173.282 176.000 -1.119 0.000 0.975 10 Q CA -1.020 54.171 55.803 -1.021 0.000 0.923 10 Q CB 0.621 29.078 28.738 -0.467 0.000 1.518 10 Q HN 0.741 nan 8.270 nan 0.000 0.401 11 L N 2.259 123.048 121.223 -0.723 0.000 2.540 11 L HA 0.366 4.706 4.340 -0.000 0.000 0.276 11 L C 0.733 177.250 176.870 -0.588 0.000 1.212 11 L CA 0.256 54.773 54.840 -0.538 0.000 0.893 11 L CB 0.332 42.194 42.059 -0.329 0.000 1.138 11 L HN 0.885 nan 8.230 nan 0.000 0.491 12 A N 3.213 125.582 122.820 -0.752 0.000 2.448 12 A HA 0.498 4.818 4.320 -0.000 0.000 0.239 12 A C 0.370 177.440 177.584 -0.857 0.000 1.080 12 A CA 0.199 51.593 52.037 -1.072 0.000 0.779 12 A CB 0.295 17.976 19.000 -2.198 0.000 1.026 12 A HN 0.794 nan 8.150 nan 0.000 0.499 13 T N -3.040 111.034 114.554 -0.801 0.000 2.865 13 T HA 0.625 4.975 4.350 -0.000 0.000 0.294 13 T C 0.930 175.443 174.700 -0.311 0.000 1.119 13 T CA -0.034 61.814 62.100 -0.420 0.000 1.007 13 T CB 1.227 69.947 68.868 -0.247 0.000 1.225 13 T HN 1.480 nan 8.240 nan 0.000 0.515 14 A N 0.284 123.108 122.820 0.007 0.000 1.986 14 A HA -0.071 4.249 4.320 -0.000 0.000 0.220 14 A C 1.726 179.403 177.584 0.155 0.000 1.171 14 A CA 1.926 54.097 52.037 0.224 0.000 0.640 14 A CB -0.982 18.148 19.000 0.217 0.000 0.811 14 A HN 0.883 nan 8.150 nan 0.000 0.451 15 E N -0.769 119.438 120.200 0.013 0.000 2.478 15 E HA 0.014 4.364 4.350 -0.000 0.000 0.194 15 E C 1.594 178.132 176.600 -0.103 0.000 1.045 15 E CA 1.087 57.484 56.400 -0.005 0.000 0.868 15 E CB -0.212 29.475 29.700 -0.022 0.000 0.885 15 E HN 0.762 nan 8.360 nan 0.000 0.505 16 T N -4.048 110.371 114.554 -0.225 0.000 3.010 16 T HA 0.056 4.406 4.350 -0.000 0.000 0.257 16 T C 1.326 175.779 174.700 -0.412 0.000 1.020 16 T CA -0.450 61.450 62.100 -0.333 0.000 0.938 16 T CB -0.449 68.166 68.868 -0.421 0.000 1.049 16 T HN 0.246 nan 8.240 nan 0.000 0.522 17 W N 1.993 123.018 121.300 -0.457 0.000 2.465 17 W HA 0.125 4.785 4.660 -0.000 0.000 0.268 17 W C -1.189 174.640 176.519 -1.150 0.000 1.242 17 W CA -0.424 56.467 57.345 -0.756 0.000 1.248 17 W CB -0.611 28.431 29.460 -0.696 0.000 1.118 17 W HN 0.327 nan 8.180 nan 0.000 0.587 18 P HA -0.184 nan 4.420 nan 0.000 0.217 18 P C 0.100 177.134 177.300 -0.443 0.000 1.148 18 P CA 1.781 64.591 63.100 -0.483 0.000 0.828 18 P CB 0.070 31.733 31.700 -0.061 0.000 0.783 19 N N -2.582 115.791 118.700 -0.545 0.000 2.751 19 N HA 0.160 4.900 4.740 -0.000 0.000 0.234 19 N C -2.554 172.458 175.510 -0.831 0.000 1.403 19 N CA -1.263 51.363 53.050 -0.708 0.000 0.747 19 N CB 0.192 38.491 38.487 -0.312 0.000 1.326 19 N HN -0.200 nan 8.380 nan 0.000 0.532 20 P HA 0.169 nan 4.420 nan 0.000 0.239 20 P C 0.800 177.539 177.300 -0.935 0.000 1.188 20 P CA 0.185 62.672 63.100 -1.023 0.000 0.794 20 P CB 0.068 31.130 31.700 -1.062 0.000 0.937 21 W N 0.773 121.784 121.300 -0.482 0.000 2.290 21 W HA -0.185 4.475 4.660 -0.000 0.000 0.318 21 W C -0.680 175.751 176.519 -0.148 0.000 1.248 21 W CA 0.497 57.653 57.345 -0.315 0.000 1.263 21 W CB -2.693 26.684 29.460 -0.139 0.000 1.147 21 W HN 0.137 nan 8.180 nan 0.000 0.494 22 P HA -0.227 nan 4.420 nan 0.000 0.216 22 P C 1.777 179.111 177.300 0.057 0.000 1.153 22 P CA 1.748 64.879 63.100 0.052 0.000 0.848 22 P CB -0.363 31.340 31.700 0.004 0.000 0.787 23 M N -2.107 117.496 119.600 0.005 0.000 2.159 23 M HA -0.203 4.277 4.480 -0.000 0.000 0.263 23 M C 1.600 178.058 176.300 0.264 0.000 1.063 23 M CA 1.870 57.222 55.300 0.087 0.000 1.110 23 M CB -0.426 32.197 32.600 0.038 0.000 1.374 23 M HN -0.118 nan 8.290 nan 0.000 0.411 24 Y N 0.302 120.670 120.300 0.114 0.000 2.163 24 Y HA -0.181 4.369 4.550 0.000 0.000 0.288 24 Y C 2.630 178.581 175.900 0.084 0.000 1.136 24 Y CA 1.685 59.865 58.100 0.135 0.000 1.147 24 Y CB -1.442 37.152 38.460 0.223 0.000 0.987 24 Y HN 0.328 nan 8.280 nan 0.000 0.509 25 R N 0.952 121.607 120.500 0.260 0.000 2.097 25 R HA -0.220 4.120 4.340 -0.000 0.000 0.236 25 R C 2.371 178.688 176.300 0.028 0.000 1.135 25 R CA 1.964 58.136 56.100 0.121 0.000 0.934 25 R CB -1.031 29.326 30.300 0.095 0.000 0.846 25 R HN 0.234 nan 8.270 nan 0.000 0.431 26 A N 0.704 123.552 122.820 0.047 0.000 1.881 26 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 26 A C 2.375 179.957 177.584 -0.004 0.000 1.215 26 A CA 2.141 54.191 52.037 0.023 0.000 0.648 26 A CB -1.001 18.054 19.000 0.092 0.000 0.832 26 A HN 0.410 nan 8.150 nan 0.000 0.455 27 L N -1.440 119.807 121.223 0.039 0.000 1.989 27 L HA -0.229 4.111 4.340 -0.000 0.000 0.211 27 L C 2.939 179.808 176.870 -0.002 0.000 1.071 27 L CA 1.819 56.663 54.840 0.006 0.000 0.749 27 L CB -0.598 41.455 42.059 -0.011 0.000 0.890 27 L HN 0.384 nan 8.230 nan 0.000 0.431 28 R N -0.082 120.421 120.500 0.005 0.000 2.091 28 R HA -0.168 4.172 4.340 -0.000 0.000 0.238 28 R C 1.853 178.125 176.300 -0.046 0.000 1.136 28 R CA 1.634 57.732 56.100 -0.004 0.000 0.959 28 R CB -0.383 29.933 30.300 0.026 0.000 0.856 28 R HN 0.446 nan 8.270 nan 0.000 0.437 29 D N -0.986 119.329 120.400 -0.141 0.000 2.183 29 D HA -0.052 4.588 4.640 -0.000 0.000 0.205 29 D C 1.441 177.586 176.300 -0.259 0.000 0.962 29 D CA 1.322 55.154 54.000 -0.280 0.000 0.849 29 D CB 0.033 40.514 40.800 -0.532 0.000 0.978 29 D HN 0.490 nan 8.370 nan 0.000 0.488 30 H N -1.642 117.452 119.070 0.040 0.000 2.885 30 H HA 0.201 4.757 4.556 -0.000 0.000 0.260 30 H C -0.166 175.192 175.328 0.050 0.000 0.985 30 H CA -0.053 56.019 56.048 0.040 0.000 1.210 30 H CB 1.349 31.133 29.762 0.037 0.000 1.466 30 H HN -0.166 nan 8.280 nan 0.000 0.493 31 D N -0.335 120.146 120.400 0.135 0.000 2.714 31 D HA 0.128 4.768 4.640 -0.000 0.000 0.264 31 D C -2.151 174.206 176.300 0.095 0.000 1.231 31 D CA -1.836 52.245 54.000 0.135 0.000 0.802 31 D CB 0.967 41.879 40.800 0.187 0.000 1.319 31 D HN -0.040 nan 8.370 nan 0.000 0.528 32 P HA -0.124 nan 4.420 nan 0.000 0.215 32 P C 0.515 177.842 177.300 0.046 0.000 1.157 32 P CA 0.863 63.986 63.100 0.039 0.000 0.874 32 P CB 0.464 32.183 31.700 0.031 0.000 0.790 33 V N -0.679 119.279 119.914 0.073 0.000 2.205 33 V HA 0.137 4.257 4.120 -0.000 0.000 0.263 33 V C 0.027 176.231 176.094 0.184 0.000 1.138 33 V CA -0.749 61.605 62.300 0.090 0.000 1.059 33 V CB -0.960 30.879 31.823 0.027 0.000 1.232 33 V HN 0.127 nan 8.190 nan 0.000 0.469 34 H N 2.455 121.561 119.070 0.060 0.000 2.764 34 H HA 0.237 4.793 4.556 0.000 0.000 0.341 34 H C -0.054 175.330 175.328 0.094 0.000 1.072 34 H CA 0.351 56.425 56.048 0.043 0.000 1.444 34 H CB 0.346 30.053 29.762 -0.091 0.000 1.458 34 H HN 0.664 nan 8.280 nan 0.000 0.572 35 H N 4.941 123.623 119.070 -0.647 0.000 2.504 35 H HA 0.425 4.981 4.556 -0.000 0.000 0.322 35 H C -1.130 173.641 175.328 -0.928 0.000 1.055 35 H CA -1.070 54.543 56.048 -0.725 0.000 1.231 35 H CB 0.742 30.278 29.762 -0.377 0.000 1.417 35 H HN 0.362 nan 8.280 nan 0.000 0.472 36 V N 6.648 125.993 119.914 -0.949 0.000 2.370 36 V HA 0.172 4.292 4.120 -0.000 0.000 0.283 36 V C -0.303 175.332 176.094 -0.765 0.000 1.023 36 V CA -0.673 61.125 62.300 -0.835 0.000 0.857 36 V CB 1.471 32.672 31.823 -1.037 0.000 0.985 36 V HN 0.516 nan 8.190 nan 0.000 0.443 37 V N 7.232 126.826 119.914 -0.534 0.000 2.325 37 V HA 0.337 4.457 4.120 -0.000 0.000 0.280 37 V C -2.438 173.559 176.094 -0.161 0.000 1.016 37 V CA -1.774 60.303 62.300 -0.373 0.000 0.818 37 V CB 1.638 33.210 31.823 -0.418 0.000 1.019 37 V HN 0.757 nan 8.190 nan 0.000 0.434 38 P HA 0.201 nan 4.420 nan 0.000 0.265 38 P C -2.070 175.217 177.300 -0.022 0.000 1.222 38 P CA -1.130 61.975 63.100 0.009 0.000 0.767 38 P CB 0.564 32.323 31.700 0.099 0.000 0.801 39 P HA -0.250 nan 4.420 nan 0.000 0.216 39 P C 1.163 178.441 177.300 -0.036 0.000 1.154 39 P CA 1.669 64.748 63.100 -0.036 0.000 0.865 39 P CB 0.002 31.684 31.700 -0.030 0.000 0.789 40 Q N -1.356 118.425 119.800 -0.032 0.000 2.167 40 Q HA -0.024 4.316 4.340 -0.000 0.000 0.202 40 Q C 0.755 176.711 176.000 -0.072 0.000 0.970 40 Q CA 1.213 56.988 55.803 -0.046 0.000 0.855 40 Q CB -0.154 28.559 28.738 -0.041 0.000 0.911 40 Q HN 0.132 nan 8.270 nan 0.000 0.438 41 R N 0.766 121.227 120.500 -0.064 0.000 2.639 41 R HA 0.190 4.530 4.340 -0.000 0.000 0.273 41 R C -2.241 174.040 176.300 -0.031 0.000 1.732 41 R CA -1.364 54.673 56.100 -0.106 0.000 1.586 41 R CB 1.091 31.258 30.300 -0.221 0.000 1.263 41 R HN 0.114 nan 8.270 nan 0.000 0.615 42 P HA -0.151 nan 4.420 nan 0.000 0.223 42 P C 0.203 177.507 177.300 0.007 0.000 1.144 42 P CA 1.220 64.305 63.100 -0.026 0.000 0.783 42 P CB 0.562 32.239 31.700 -0.039 0.000 0.771 43 E N -0.987 119.218 120.200 0.009 0.000 2.152 43 E HA -0.132 4.218 4.350 -0.000 0.000 0.192 43 E C 0.888 177.547 176.600 0.098 0.000 0.983 43 E CA 0.802 57.221 56.400 0.032 0.000 0.818 43 E CB -0.990 28.719 29.700 0.016 0.000 0.758 43 E HN 0.271 nan 8.360 nan 0.000 0.467 44 Y N 2.739 122.992 120.300 -0.077 0.000 2.871 44 Y HA 0.063 4.613 4.550 -0.000 0.000 0.378 44 Y C 0.166 176.258 175.900 0.320 0.000 1.069 44 Y CA -1.273 56.849 58.100 0.037 0.000 1.662 44 Y CB -1.360 37.219 38.460 0.197 0.000 1.561 44 Y HN 0.083 nan 8.280 nan 0.000 0.483 45 D N -0.397 120.189 120.400 0.309 0.000 2.312 45 D HA 0.276 4.916 4.640 -0.000 0.000 0.248 45 D C -0.279 176.278 176.300 0.429 0.000 1.086 45 D CA -0.165 53.974 54.000 0.232 0.000 0.948 45 D CB 1.617 42.424 40.800 0.012 0.000 1.162 45 D HN 0.282 nan 8.370 nan 0.000 0.446 46 Y N -2.739 117.577 120.300 0.026 0.000 2.764 46 Y HA 0.591 5.141 4.550 -0.000 0.000 0.331 46 Y C -1.772 173.962 175.900 -0.277 0.000 1.280 46 Y CA -1.436 56.663 58.100 -0.001 0.000 1.065 46 Y CB 0.866 39.375 38.460 0.081 0.000 1.319 46 Y HN 0.270 nan 8.280 nan 0.000 0.453 47 Y N -0.072 120.370 120.300 0.237 0.000 2.549 47 Y HA 0.729 5.279 4.550 -0.000 0.000 0.339 47 Y C -0.810 175.142 175.900 0.088 0.000 1.053 47 Y CA -1.419 56.722 58.100 0.068 0.000 1.105 47 Y CB 2.420 40.913 38.460 0.054 0.000 1.258 47 Y HN 0.477 nan 8.280 nan 0.000 0.478 48 V N 3.741 123.723 119.914 0.113 0.000 2.447 48 V HA 0.321 4.441 4.120 -0.000 0.000 0.292 48 V C -0.616 175.450 176.094 -0.048 0.000 1.021 48 V CA -0.875 61.395 62.300 -0.050 0.000 0.850 48 V CB 1.131 32.711 31.823 -0.405 0.000 1.005 48 V HN 0.553 nan 8.190 nan 0.000 0.426 49 L N 3.924 125.110 121.223 -0.062 0.000 2.305 49 L HA 0.442 4.782 4.340 -0.000 0.000 0.281 49 L C 1.093 177.892 176.870 -0.118 0.000 1.085 49 L CA 0.090 54.883 54.840 -0.077 0.000 0.813 49 L CB 1.718 43.710 42.059 -0.111 0.000 1.157 49 L HN 0.843 nan 8.230 nan 0.000 0.436 50 S N 1.113 116.761 115.700 -0.086 0.000 2.649 50 S HA 0.220 4.690 4.470 -0.000 0.000 0.246 50 S C 0.626 175.207 174.600 -0.030 0.000 1.057 50 S CA -0.605 57.536 58.200 -0.099 0.000 1.051 50 S CB 0.373 63.513 63.200 -0.102 0.000 1.018 50 S HN 0.552 nan 8.310 nan 0.000 0.569 51 R N 1.512 122.010 120.500 -0.003 0.000 2.349 51 R HA 0.343 4.683 4.340 -0.000 0.000 0.299 51 R C 1.144 177.491 176.300 0.079 0.000 1.027 51 R CA -0.498 55.628 56.100 0.044 0.000 0.958 51 R CB 0.363 30.683 30.300 0.032 0.000 1.047 51 R HN 0.283 nan 8.270 nan 0.000 0.468 52 H N 3.051 122.139 119.070 0.031 0.000 2.321 52 H HA -0.221 4.335 4.556 -0.000 0.000 0.295 52 H C 1.425 176.795 175.328 0.070 0.000 1.102 52 H CA 2.596 58.683 56.048 0.064 0.000 1.266 52 H CB 0.316 30.079 29.762 0.002 0.000 1.363 52 H HN 0.756 nan 8.280 nan 0.000 0.492 53 A N 0.898 123.832 122.820 0.191 0.000 1.902 53 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 53 A C 2.250 179.891 177.584 0.094 0.000 1.181 53 A CA 1.806 53.919 52.037 0.128 0.000 0.623 53 A CB -0.297 18.740 19.000 0.061 0.000 0.818 53 A HN 0.516 nan 8.150 nan 0.000 0.443 54 D N -0.294 120.132 120.400 0.043 0.000 2.091 54 D HA -0.071 4.569 4.640 -0.000 0.000 0.199 54 D C 2.169 178.437 176.300 -0.054 0.000 0.980 54 D CA 1.455 55.450 54.000 -0.008 0.000 0.831 54 D CB -0.589 40.192 40.800 -0.032 0.000 0.987 54 D HN 0.199 nan 8.370 nan 0.000 0.460 55 V N 1.488 121.370 119.914 -0.053 0.000 2.282 55 V HA -0.228 3.892 4.120 -0.000 0.000 0.249 55 V C 2.237 178.328 176.094 -0.004 0.000 1.057 55 V CA 1.488 63.739 62.300 -0.081 0.000 1.032 55 V CB -0.535 31.257 31.823 -0.051 0.000 0.645 55 V HN 0.394 nan 8.190 nan 0.000 0.447 56 W N 0.510 121.707 121.300 -0.173 0.000 2.335 56 W HA -0.242 4.418 4.660 -0.000 0.000 0.311 56 W C 2.788 179.286 176.519 -0.035 0.000 1.213 56 W CA 2.305 59.564 57.345 -0.143 0.000 1.274 56 W CB -0.472 28.825 29.460 -0.272 0.000 1.148 56 W HN 0.363 nan 8.180 nan 0.000 0.498 57 S N 0.371 116.195 115.700 0.206 0.000 2.383 57 S HA -0.083 4.387 4.470 -0.000 0.000 0.227 57 S C 2.091 176.676 174.600 -0.026 0.000 1.026 57 S CA 1.598 59.876 58.200 0.130 0.000 0.981 57 S CB -0.558 62.720 63.200 0.131 0.000 0.818 57 S HN 0.271 nan 8.310 nan 0.000 0.472 58 A N 1.555 124.258 122.820 -0.196 0.000 1.858 58 A HA 0.140 4.460 4.320 -0.000 0.000 0.216 58 A C 2.477 179.925 177.584 -0.226 0.000 1.190 58 A CA 1.929 53.646 52.037 -0.534 0.000 0.617 58 A CB -1.503 16.997 19.000 -0.834 0.000 0.827 58 A HN 0.723 nan 8.150 nan 0.000 0.443 59 A N -0.389 122.361 122.820 -0.118 0.000 1.908 59 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 59 A C 2.222 179.814 177.584 0.013 0.000 1.181 59 A CA 2.094 54.131 52.037 0.001 0.000 0.627 59 A CB -0.464 18.569 19.000 0.054 0.000 0.818 59 A HN 0.542 nan 8.150 nan 0.000 0.445 60 R N -0.066 120.412 120.500 -0.036 0.000 2.148 60 R HA -0.114 4.226 4.340 -0.000 0.000 0.227 60 R C -0.030 176.316 176.300 0.076 0.000 1.103 60 R CA 1.329 57.428 56.100 -0.002 0.000 0.983 60 R CB -0.146 30.174 30.300 0.034 0.000 0.874 60 R HN 0.393 nan 8.270 nan 0.000 0.451 61 D N 0.529 120.984 120.400 0.092 0.000 2.564 61 D HA -0.023 4.617 4.640 -0.000 0.000 0.226 61 D C 0.833 177.210 176.300 0.128 0.000 1.149 61 D CA -0.239 53.808 54.000 0.078 0.000 0.994 61 D CB 0.127 41.030 40.800 0.172 0.000 1.029 61 D HN 0.391 nan 8.370 nan 0.000 0.517 62 H N 2.021 121.160 119.070 0.116 0.000 2.462 62 H HA -0.123 4.433 4.556 -0.000 0.000 0.292 62 H C 1.225 176.603 175.328 0.083 0.000 1.049 62 H CA 0.717 56.834 56.048 0.116 0.000 1.334 62 H CB -0.062 29.747 29.762 0.078 0.000 1.404 62 H HN 0.422 nan 8.280 nan 0.000 0.544 63 Q N 1.163 120.806 119.800 -0.261 0.000 2.170 63 Q HA -0.061 4.279 4.340 -0.000 0.000 0.203 63 Q C 1.465 177.414 176.000 -0.085 0.000 0.976 63 Q CA 1.583 57.312 55.803 -0.123 0.000 0.858 63 Q CB -0.688 27.937 28.738 -0.188 0.000 0.907 63 Q HN 0.400 nan 8.270 nan 0.000 0.433 64 T N 0.001 114.497 114.554 -0.097 0.000 2.983 64 T HA 0.142 4.492 4.350 -0.000 0.000 0.250 64 T C -0.153 174.290 174.700 -0.427 0.000 1.037 64 T CA 0.274 62.218 62.100 -0.259 0.000 1.142 64 T CB 0.026 68.717 68.868 -0.296 0.000 0.876 64 T HN 0.154 nan 8.240 nan 0.000 0.455 65 F N 2.431 122.382 119.950 0.001 0.000 2.307 65 F HA 0.497 5.024 4.527 0.000 0.000 0.369 65 F C 0.615 176.435 175.800 0.034 0.000 1.076 65 F CA -0.942 57.066 58.000 0.014 0.000 1.149 65 F CB 0.713 39.720 39.000 0.012 0.000 1.410 65 F HN -0.042 nan 8.300 nan 0.000 0.481 66 S N 1.023 116.788 115.700 0.109 0.000 2.603 66 S HA 0.251 4.721 4.470 -0.000 0.000 0.268 66 S C 1.022 175.651 174.600 0.049 0.000 1.317 66 S CA -0.381 57.871 58.200 0.087 0.000 1.012 66 S CB 1.099 64.323 63.200 0.040 0.000 0.926 66 S HN 0.519 nan 8.310 nan 0.000 0.539 67 S N 2.404 118.108 115.700 0.007 0.000 2.505 67 S HA 0.250 4.719 4.470 -0.000 0.000 0.216 67 S C 1.586 176.129 174.600 -0.096 0.000 1.018 67 S CA 0.212 58.352 58.200 -0.101 0.000 0.911 67 S CB 0.085 63.108 63.200 -0.294 0.000 0.818 67 S HN 0.890 nan 8.310 nan 0.000 0.497 68 A N 1.146 123.939 122.820 -0.044 0.000 2.263 68 A HA 0.029 4.349 4.320 -0.000 0.000 0.205 68 A C 1.662 179.222 177.584 -0.040 0.000 1.226 68 A CA 0.623 52.637 52.037 -0.038 0.000 0.810 68 A CB -0.157 18.838 19.000 -0.009 0.000 0.784 68 A HN 0.280 nan 8.150 nan 0.000 0.486 69 Q N -1.116 118.653 119.800 -0.051 0.000 2.316 69 Q HA 0.338 4.678 4.340 -0.000 0.000 0.235 69 Q C 0.807 176.757 176.000 -0.083 0.000 0.863 69 Q CA 0.924 56.697 55.803 -0.050 0.000 0.939 69 Q CB 0.878 29.594 28.738 -0.036 0.000 1.108 69 Q HN 0.760 nan 8.270 nan 0.000 0.522 70 G N 0.028 108.763 108.800 -0.109 0.000 2.359 70 G HA2 0.099 4.059 3.960 -0.000 0.000 0.314 70 G HA3 0.099 4.059 3.960 -0.000 0.000 0.314 70 G C -1.043 173.752 174.900 -0.176 0.000 1.364 70 G CA -0.862 44.153 45.100 -0.141 0.000 0.978 70 G HN 0.034 nan 8.290 nan 0.000 0.615 71 L N 0.706 121.795 121.223 -0.223 0.000 3.229 71 L HA 0.334 4.674 4.340 -0.000 0.000 0.286 71 L C 1.013 177.638 176.870 -0.409 0.000 1.239 71 L CA 0.303 54.985 54.840 -0.262 0.000 1.035 71 L CB 0.527 42.442 42.059 -0.240 0.000 1.408 71 L HN 0.830 nan 8.230 nan 0.000 0.593 72 T N -3.563 110.755 114.554 -0.393 0.000 2.930 72 T HA 0.329 4.679 4.350 -0.000 0.000 0.290 72 T C 0.962 175.471 174.700 -0.318 0.000 1.052 72 T CA -0.372 61.465 62.100 -0.440 0.000 1.017 72 T CB 2.248 70.912 68.868 -0.340 0.000 1.137 72 T HN -0.106 nan 8.240 nan 0.000 0.511 73 V N -1.402 118.363 119.914 -0.248 0.000 3.573 73 V HA 0.213 4.333 4.120 -0.000 0.000 0.270 73 V C 0.686 176.413 176.094 -0.613 0.000 1.221 73 V CA 0.485 62.431 62.300 -0.592 0.000 1.163 73 V CB -1.497 29.695 31.823 -1.051 0.000 0.847 73 V HN 0.832 nan 8.190 nan 0.000 0.468 74 N N 0.345 118.830 118.700 -0.359 0.000 2.469 74 N HA 0.226 4.966 4.740 -0.000 0.000 0.239 74 N C 0.325 175.639 175.510 -0.326 0.000 1.053 74 N CA -0.446 52.459 53.050 -0.241 0.000 0.937 74 N CB 0.278 38.718 38.487 -0.078 0.000 1.163 74 N HN 0.358 nan 8.380 nan 0.000 0.509 75 Y N 1.629 121.691 120.300 -0.397 0.000 2.315 75 Y HA -0.010 4.540 4.550 -0.000 0.000 0.288 75 Y C 2.084 177.756 175.900 -0.380 0.000 1.154 75 Y CA 1.331 59.105 58.100 -0.543 0.000 1.229 75 Y CB 0.113 37.915 38.460 -1.098 0.000 0.980 75 Y HN 0.661 nan 8.280 nan 0.000 0.540 76 G N -0.941 107.811 108.800 -0.081 0.000 3.702 76 G HA2 0.076 4.036 3.960 -0.000 0.000 0.288 76 G HA3 0.076 4.036 3.960 -0.000 0.000 0.288 76 G C 1.000 175.910 174.900 0.017 0.000 1.193 76 G CA -0.116 45.039 45.100 0.091 0.000 0.952 76 G HN 0.203 nan 8.290 nan 0.000 0.544 77 E N 0.657 120.830 120.200 -0.045 0.000 2.077 77 E HA -0.072 4.278 4.350 -0.000 0.000 0.193 77 E C 1.974 178.560 176.600 -0.025 0.000 0.989 77 E CA 0.828 57.188 56.400 -0.067 0.000 0.800 77 E CB -0.210 29.441 29.700 -0.082 0.000 0.746 77 E HN 0.437 nan 8.360 nan 0.000 0.452 78 L N 1.231 122.469 121.223 0.026 0.000 2.713 78 L HA 0.131 4.471 4.340 -0.000 0.000 0.245 78 L C 0.507 177.445 176.870 0.113 0.000 1.169 78 L CA 0.051 54.945 54.840 0.091 0.000 0.962 78 L CB -0.525 41.564 42.059 0.050 0.000 1.161 78 L HN 0.126 nan 8.230 nan 0.000 0.427 79 E N 0.690 120.936 120.200 0.077 0.000 2.089 79 E HA 0.112 4.462 4.350 -0.000 0.000 0.284 79 E C 1.060 177.744 176.600 0.140 0.000 1.023 79 E CA -0.370 56.077 56.400 0.078 0.000 0.819 79 E CB 1.008 30.734 29.700 0.044 0.000 1.076 79 E HN 0.275 nan 8.360 nan 0.000 0.396 80 M N 3.940 123.648 119.600 0.179 0.000 2.419 80 M HA -0.228 4.252 4.480 -0.000 0.000 0.260 80 M C 1.654 178.087 176.300 0.221 0.000 1.073 80 M CA 0.995 56.431 55.300 0.226 0.000 1.056 80 M CB -0.324 32.334 32.600 0.097 0.000 1.394 80 M HN 0.748 nan 8.290 nan 0.000 0.444 81 I N 0.059 120.698 120.570 0.115 0.000 2.253 81 I HA -0.324 3.846 4.170 -0.000 0.000 0.234 81 I C 1.209 177.380 176.117 0.090 0.000 0.978 81 I CA 1.882 63.223 61.300 0.068 0.000 1.271 81 I CB -0.491 37.522 38.000 0.021 0.000 0.978 81 I HN 0.513 nan 8.210 nan 0.000 0.394 82 G N -1.933 106.910 108.800 0.072 0.000 2.328 82 G HA2 0.338 4.298 3.960 -0.000 0.000 0.299 82 G HA3 0.338 4.298 3.960 -0.000 0.000 0.299 82 G C -1.038 173.868 174.900 0.010 0.000 1.435 82 G CA -0.706 44.463 45.100 0.115 0.000 0.865 82 G HN 0.216 nan 8.290 nan 0.000 0.601 83 L N 0.893 122.185 121.223 0.115 0.000 3.177 83 L HA -0.166 4.174 4.340 -0.000 0.000 0.640 83 L C -0.412 176.449 176.870 -0.016 0.000 1.018 83 L CA 0.287 55.167 54.840 0.066 0.000 1.288 83 L CB -0.739 41.329 42.059 0.014 0.000 1.594 83 L HN 0.815 nan 8.230 nan 0.000 0.796 84 H N 1.770 120.866 119.070 0.044 0.000 2.360 84 H HA 0.113 4.669 4.556 -0.000 0.000 0.233 84 H C -0.013 175.350 175.328 0.058 0.000 1.473 84 H CA -0.731 55.341 56.048 0.040 0.000 1.352 84 H CB 0.758 30.533 29.762 0.022 0.000 1.493 84 H HN 0.404 nan 8.280 nan 0.000 0.533 85 D N 2.325 122.813 120.400 0.147 0.000 2.489 85 D HA 0.023 4.663 4.640 -0.000 0.000 0.237 85 D C -0.097 176.290 176.300 0.145 0.000 1.212 85 D CA 0.480 54.590 54.000 0.182 0.000 1.058 85 D CB 0.110 41.045 40.800 0.226 0.000 1.098 85 D HN 0.437 nan 8.370 nan 0.000 0.509 86 T N 2.094 116.706 114.554 0.096 0.000 2.957 86 T HA 0.395 4.745 4.350 -0.000 0.000 0.336 86 T C -2.919 171.791 174.700 0.016 0.000 1.462 86 T CA -1.381 60.717 62.100 -0.003 0.000 1.073 86 T CB 1.412 70.268 68.868 -0.019 0.000 1.319 86 T HN 0.018 nan 8.240 nan 0.000 0.485 87 P HA 0.251 nan 4.420 nan 0.000 0.265 87 P C -2.317 174.992 177.300 0.016 0.000 1.193 87 P CA -0.977 62.126 63.100 0.004 0.000 0.765 87 P CB 0.007 31.694 31.700 -0.023 0.000 0.823 88 P HA -0.007 nan 4.420 nan 0.000 0.249 88 P C 0.417 177.723 177.300 0.009 0.000 1.227 88 P CA 1.204 64.324 63.100 0.034 0.000 0.753 88 P CB -0.146 31.623 31.700 0.116 0.000 0.966 89 M N -2.821 116.783 119.600 0.006 0.000 3.019 89 M HA 0.170 4.650 4.480 -0.000 0.000 0.256 89 M C -2.330 173.958 176.300 -0.020 0.000 0.911 89 M CA -0.703 54.594 55.300 -0.005 0.000 0.794 89 M CB 1.135 33.749 32.600 0.023 0.000 1.643 89 M HN -0.500 nan 8.290 nan 0.000 0.572 90 V N 3.946 123.834 119.914 -0.043 0.000 2.588 90 V HA 0.531 4.651 4.120 -0.000 0.000 0.304 90 V C 0.012 176.058 176.094 -0.080 0.000 1.042 90 V CA -0.851 61.408 62.300 -0.069 0.000 0.877 90 V CB 2.172 33.944 31.823 -0.085 0.000 0.996 90 V HN 0.852 nan 8.190 nan 0.000 0.425 91 M N 3.407 122.952 119.600 -0.092 0.000 2.240 91 M HA 0.353 4.833 4.480 -0.000 0.000 0.333 91 M C 0.136 176.403 176.300 -0.056 0.000 1.110 91 M CA 0.048 55.311 55.300 -0.062 0.000 1.173 91 M CB 0.641 33.220 32.600 -0.034 0.000 1.458 91 M HN 0.603 nan 8.290 nan 0.000 0.458 92 Q N 0.851 120.666 119.800 0.024 0.000 2.166 92 Q HA 0.413 4.753 4.340 -0.000 0.000 0.226 92 Q C -0.705 175.337 176.000 0.070 0.000 0.989 92 Q CA -0.389 55.437 55.803 0.039 0.000 0.966 92 Q CB 0.957 29.726 28.738 0.052 0.000 1.173 92 Q HN 0.527 nan 8.270 nan 0.000 0.509 93 D N 0.155 120.606 120.400 0.084 0.000 2.384 93 D HA 0.437 5.077 4.640 -0.000 0.000 0.250 93 D C -2.243 174.096 176.300 0.065 0.000 1.029 93 D CA -1.497 52.550 54.000 0.078 0.000 0.990 93 D CB 0.692 41.578 40.800 0.142 0.000 1.175 93 D HN 0.092 nan 8.370 nan 0.000 0.532 94 P HA 0.078 nan 4.420 nan 0.000 0.269 94 P C -1.842 175.507 177.300 0.081 0.000 1.217 94 P CA -0.606 62.503 63.100 0.015 0.000 0.783 94 P CB 0.148 31.801 31.700 -0.078 0.000 0.898 95 P HA -0.084 nan 4.420 nan 0.000 0.220 95 P C 1.190 178.514 177.300 0.040 0.000 1.152 95 P CA 0.688 63.812 63.100 0.040 0.000 0.812 95 P CB -0.194 31.526 31.700 0.034 0.000 0.792 96 V N 0.067 120.013 119.914 0.052 0.000 2.250 96 V HA -0.348 3.772 4.120 -0.000 0.000 0.253 96 V C 2.420 178.567 176.094 0.088 0.000 1.065 96 V CA 2.555 64.890 62.300 0.058 0.000 1.039 96 V CB -1.651 30.206 31.823 0.057 0.000 0.647 96 V HN 0.196 nan 8.190 nan 0.000 0.446 97 H N 0.341 119.410 119.070 -0.002 0.000 2.387 97 H HA -0.134 4.422 4.556 -0.000 0.000 0.299 97 H C 2.353 177.693 175.328 0.020 0.000 1.090 97 H CA 2.068 58.127 56.048 0.018 0.000 1.332 97 H CB -0.499 29.228 29.762 -0.059 0.000 1.386 97 H HN 0.414 nan 8.280 nan 0.000 0.516 98 T N 0.181 114.719 114.554 -0.027 0.000 2.620 98 T HA -0.305 4.045 4.350 -0.000 0.000 0.267 98 T C 1.823 176.451 174.700 -0.120 0.000 1.044 98 T CA 2.031 64.075 62.100 -0.093 0.000 1.161 98 T CB -0.321 68.519 68.868 -0.046 0.000 0.862 98 T HN 0.475 nan 8.240 nan 0.000 0.438 99 E N 0.448 120.609 120.200 -0.065 0.000 2.031 99 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 99 E C 1.840 178.388 176.600 -0.087 0.000 0.994 99 E CA 1.162 57.528 56.400 -0.058 0.000 0.800 99 E CB -0.670 29.023 29.700 -0.011 0.000 0.752 99 E HN 0.483 nan 8.360 nan 0.000 0.447 100 F N 1.584 121.403 119.950 -0.219 0.000 2.025 100 F HA -0.226 4.301 4.527 -0.000 0.000 0.297 100 F C 2.509 178.114 175.800 -0.326 0.000 1.132 100 F CA 2.522 60.366 58.000 -0.260 0.000 1.191 100 F CB -0.622 38.211 39.000 -0.278 0.000 0.963 100 F HN -0.008 nan 8.300 nan 0.000 0.481 101 R N 0.757 120.914 120.500 -0.571 0.000 2.119 101 R HA -0.255 4.085 4.340 -0.000 0.000 0.246 101 R C 2.541 178.586 176.300 -0.424 0.000 1.146 101 R CA 2.063 57.802 56.100 -0.602 0.000 0.962 101 R CB -0.508 29.480 30.300 -0.520 0.000 0.863 101 R HN 0.393 nan 8.270 nan 0.000 0.442 102 K N 0.584 120.800 120.400 -0.307 0.000 2.032 102 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 102 K C 2.101 178.558 176.600 -0.237 0.000 1.048 102 K CA 1.607 57.764 56.287 -0.217 0.000 0.927 102 K CB -0.121 32.289 32.500 -0.150 0.000 0.712 102 K HN 0.240 nan 8.250 nan 0.000 0.441 103 L N 0.645 121.702 121.223 -0.276 0.000 2.007 103 L HA -0.151 4.189 4.340 -0.000 0.000 0.205 103 L C 2.500 179.186 176.870 -0.307 0.000 1.073 103 L CA 0.843 55.533 54.840 -0.250 0.000 0.744 103 L CB -0.594 41.350 42.059 -0.192 0.000 0.898 103 L HN -0.033 nan 8.230 nan 0.000 0.435 104 V N 0.199 119.831 119.914 -0.470 0.000 2.469 104 V HA -0.270 3.850 4.120 -0.000 0.000 0.251 104 V C 2.669 178.739 176.094 -0.040 0.000 1.064 104 V CA 1.931 64.021 62.300 -0.351 0.000 1.066 104 V CB -1.022 30.350 31.823 -0.752 0.000 0.667 104 V HN 0.639 nan 8.190 nan 0.000 0.461 105 S N 0.590 116.209 115.700 -0.135 0.000 2.474 105 S HA -0.164 4.306 4.470 -0.000 0.000 0.235 105 S C 1.879 176.481 174.600 0.004 0.000 0.997 105 S CA 0.973 59.176 58.200 0.006 0.000 0.949 105 S CB -0.517 62.626 63.200 -0.096 0.000 0.766 105 S HN 0.643 nan 8.310 nan 0.000 0.517 106 R N 0.641 121.017 120.500 -0.207 0.000 2.276 106 R HA 0.131 4.471 4.340 -0.000 0.000 0.203 106 R C 2.089 178.232 176.300 -0.262 0.000 1.017 106 R CA 0.724 56.579 56.100 -0.408 0.000 1.010 106 R CB -0.380 29.296 30.300 -1.041 0.000 0.900 106 R HN 0.567 nan 8.270 nan 0.000 0.469 107 G N -0.588 108.170 108.800 -0.071 0.000 3.088 107 G HA2 0.002 3.962 3.960 -0.000 0.000 0.217 107 G HA3 0.002 3.962 3.960 -0.000 0.000 0.217 107 G C 0.083 174.844 174.900 -0.232 0.000 1.159 107 G CA -0.191 44.872 45.100 -0.062 0.000 0.760 107 G HN 0.094 nan 8.290 nan 0.000 0.550 108 F N 2.277 122.308 119.950 0.134 0.000 2.471 108 F HA 0.328 4.855 4.527 -0.000 0.000 0.318 108 F C 0.705 176.564 175.800 0.098 0.000 1.308 108 F CA -0.898 57.210 58.000 0.180 0.000 1.162 108 F CB 0.757 39.762 39.000 0.009 0.000 1.383 108 F HN -0.035 nan 8.300 nan 0.000 0.552 109 T N -2.973 111.688 114.554 0.178 0.000 2.948 109 T HA 0.436 4.786 4.350 -0.000 0.000 0.285 109 T C -2.062 172.710 174.700 0.119 0.000 1.019 109 T CA -2.239 59.928 62.100 0.111 0.000 1.013 109 T CB 2.114 71.016 68.868 0.057 0.000 1.117 109 T HN -0.111 nan 8.240 nan 0.000 0.533 110 P HA 0.020 nan 4.420 nan 0.000 0.216 110 P C 1.679 179.021 177.300 0.070 0.000 1.153 110 P CA 0.689 63.837 63.100 0.079 0.000 0.848 110 P CB 0.065 31.798 31.700 0.056 0.000 0.787 111 R N -0.183 120.349 120.500 0.054 0.000 2.105 111 R HA -0.234 4.106 4.340 -0.000 0.000 0.239 111 R C 2.279 178.608 176.300 0.049 0.000 1.135 111 R CA 1.567 57.693 56.100 0.042 0.000 0.967 111 R CB -0.428 29.891 30.300 0.032 0.000 0.861 111 R HN 0.058 nan 8.270 nan 0.000 0.442 112 Q N -0.087 119.745 119.800 0.053 0.000 2.050 112 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 112 Q C 2.025 178.061 176.000 0.060 0.000 0.980 112 Q CA 2.229 58.049 55.803 0.028 0.000 0.840 112 Q CB -0.055 28.661 28.738 -0.036 0.000 0.898 112 Q HN 0.304 nan 8.270 nan 0.000 0.424 113 V N -0.115 119.877 119.914 0.129 0.000 2.307 113 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 113 V C 1.928 178.055 176.094 0.055 0.000 1.045 113 V CA 2.098 64.489 62.300 0.151 0.000 1.024 113 V CB -0.844 31.086 31.823 0.179 0.000 0.651 113 V HN 0.314 nan 8.190 nan 0.000 0.449 114 E N 0.650 120.878 120.200 0.047 0.000 2.058 114 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 114 E C 2.362 178.956 176.600 -0.010 0.000 0.997 114 E CA 1.934 58.348 56.400 0.022 0.000 0.801 114 E CB -0.460 29.257 29.700 0.028 0.000 0.746 114 E HN 0.580 nan 8.360 nan 0.000 0.450 115 T N 0.346 114.891 114.554 -0.015 0.000 2.699 115 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 115 T C 1.861 176.480 174.700 -0.135 0.000 1.036 115 T CA 1.261 63.337 62.100 -0.041 0.000 1.147 115 T CB -0.160 68.721 68.868 0.022 0.000 0.862 115 T HN 0.041 nan 8.240 nan 0.000 0.446 116 V N 0.525 120.269 119.914 -0.283 0.000 3.506 116 V HA 0.112 4.232 4.120 -0.000 0.000 0.263 116 V C 2.224 178.245 176.094 -0.122 0.000 1.203 116 V CA 0.994 63.089 62.300 -0.342 0.000 1.133 116 V CB -0.207 31.168 31.823 -0.747 0.000 0.802 116 V HN 0.473 nan 8.190 nan 0.000 0.459 117 E N 0.773 120.935 120.200 -0.063 0.000 2.065 117 E HA -0.242 4.108 4.350 -0.000 0.000 0.201 117 E C -0.326 176.280 176.600 0.010 0.000 1.016 117 E CA 2.209 58.606 56.400 -0.005 0.000 0.818 117 E CB -0.736 28.971 29.700 0.013 0.000 0.749 117 E HN 0.540 nan 8.360 nan 0.000 0.453 118 P HA -0.137 nan 4.420 nan 0.000 0.215 118 P C 1.227 178.544 177.300 0.029 0.000 1.157 118 P CA 2.087 65.194 63.100 0.012 0.000 0.868 118 P CB -0.127 31.572 31.700 -0.001 0.000 0.788 119 T N -0.756 113.812 114.554 0.022 0.000 2.699 119 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 119 T C 1.813 176.583 174.700 0.117 0.000 1.036 119 T CA 1.414 63.552 62.100 0.062 0.000 1.147 119 T CB -1.127 67.787 68.868 0.075 0.000 0.862 119 T HN -0.092 nan 8.240 nan 0.000 0.446 120 V N 1.246 121.218 119.914 0.096 0.000 2.270 120 V HA -0.127 3.993 4.120 -0.000 0.000 0.245 120 V C 2.610 178.790 176.094 0.143 0.000 1.043 120 V CA 1.736 64.117 62.300 0.133 0.000 1.014 120 V CB -0.610 31.267 31.823 0.091 0.000 0.645 120 V HN 0.331 nan 8.190 nan 0.000 0.447 121 R N 0.440 120.992 120.500 0.086 0.000 2.105 121 R HA -0.235 4.105 4.340 -0.000 0.000 0.239 121 R C 2.383 178.718 176.300 0.058 0.000 1.135 121 R CA 2.057 58.193 56.100 0.061 0.000 0.967 121 R CB -0.281 30.043 30.300 0.039 0.000 0.861 121 R HN 0.527 nan 8.270 nan 0.000 0.442 122 K N -0.385 120.062 120.400 0.079 0.000 2.009 122 K HA -0.216 4.104 4.320 -0.000 0.000 0.210 122 K C 1.929 178.589 176.600 0.100 0.000 1.049 122 K CA 1.769 58.100 56.287 0.074 0.000 0.929 122 K CB -0.375 32.174 32.500 0.080 0.000 0.714 122 K HN 0.157 nan 8.250 nan 0.000 0.440 123 F N 1.729 121.688 119.950 0.014 0.000 2.095 123 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 123 F C 1.851 177.644 175.800 -0.011 0.000 1.104 123 F CA 1.378 59.384 58.000 0.010 0.000 1.232 123 F CB -0.540 38.477 39.000 0.030 0.000 0.987 123 F HN -0.154 nan 8.300 nan 0.000 0.475 124 V N -0.115 119.728 119.914 -0.118 0.000 2.252 124 V HA -0.353 3.767 4.120 -0.000 0.000 0.249 124 V C 2.454 178.405 176.094 -0.238 0.000 1.056 124 V CA 1.898 64.064 62.300 -0.222 0.000 1.022 124 V CB -1.151 30.641 31.823 -0.052 0.000 0.641 124 V HN 0.297 nan 8.190 nan 0.000 0.445 125 V N -0.053 119.784 119.914 -0.129 0.000 2.295 125 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 125 V C 2.403 178.418 176.094 -0.132 0.000 1.049 125 V CA 2.177 64.415 62.300 -0.103 0.000 1.024 125 V CB -0.831 30.965 31.823 -0.046 0.000 0.648 125 V HN 0.625 nan 8.190 nan 0.000 0.447 126 E N -0.009 120.109 120.200 -0.137 0.000 2.033 126 E HA -0.252 4.098 4.350 -0.000 0.000 0.199 126 E C 2.514 178.995 176.600 -0.199 0.000 1.011 126 E CA 1.299 57.623 56.400 -0.125 0.000 0.815 126 E CB -0.289 29.369 29.700 -0.069 0.000 0.755 126 E HN 0.339 nan 8.360 nan 0.000 0.451 127 R N 0.646 120.916 120.500 -0.384 0.000 2.096 127 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 127 R C 2.439 178.568 176.300 -0.284 0.000 1.127 127 R CA 0.799 56.657 56.100 -0.403 0.000 0.968 127 R CB -0.768 29.101 30.300 -0.719 0.000 0.861 127 R HN 0.286 nan 8.270 nan 0.000 0.440 128 L N 0.735 121.799 121.223 -0.265 0.000 2.046 128 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 128 L C 2.285 179.099 176.870 -0.093 0.000 1.077 128 L CA 1.239 55.969 54.840 -0.183 0.000 0.747 128 L CB -0.328 41.637 42.059 -0.157 0.000 0.896 128 L HN 0.089 nan 8.230 nan 0.000 0.432 129 E N 0.059 120.208 120.200 -0.086 0.000 2.150 129 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 129 E C 2.010 178.584 176.600 -0.043 0.000 0.985 129 E CA 0.912 57.283 56.400 -0.048 0.000 0.814 129 E CB -0.105 29.569 29.700 -0.043 0.000 0.752 129 E HN 0.373 nan 8.360 nan 0.000 0.466 130 K N 0.673 121.033 120.400 -0.067 0.000 2.097 130 K HA -0.078 4.242 4.320 -0.000 0.000 0.206 130 K C 2.200 178.778 176.600 -0.036 0.000 1.049 130 K CA 0.700 56.956 56.287 -0.053 0.000 0.933 130 K CB -0.022 32.436 32.500 -0.071 0.000 0.717 130 K HN 0.070 nan 8.250 nan 0.000 0.442 131 L N 0.059 121.260 121.223 -0.037 0.000 2.109 131 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 131 L C 2.520 179.410 176.870 0.033 0.000 1.086 131 L CA 0.990 55.839 54.840 0.016 0.000 0.760 131 L CB -0.247 41.850 42.059 0.063 0.000 0.910 131 L HN 0.145 nan 8.230 nan 0.000 0.437 132 R N -0.012 120.503 120.500 0.025 0.000 2.115 132 R HA -0.090 4.250 4.340 -0.000 0.000 0.230 132 R C 2.230 178.528 176.300 -0.002 0.000 1.111 132 R CA 1.167 57.276 56.100 0.015 0.000 0.976 132 R CB -0.343 29.966 30.300 0.015 0.000 0.870 132 R HN 0.299 nan 8.270 nan 0.000 0.445 133 A N 0.624 123.441 122.820 -0.006 0.000 2.216 133 A HA -0.072 4.248 4.320 -0.000 0.000 0.214 133 A C 0.801 178.379 177.584 -0.010 0.000 1.160 133 A CA 1.131 53.162 52.037 -0.010 0.000 0.725 133 A CB -0.054 18.939 19.000 -0.012 0.000 0.784 133 A HN 0.267 nan 8.150 nan 0.000 0.472 134 N N -2.255 116.439 118.700 -0.010 0.000 2.160 134 N HA 0.325 5.065 4.740 -0.000 0.000 0.226 134 N C 1.046 176.545 175.510 -0.020 0.000 1.256 134 N CA 0.900 53.943 53.050 -0.012 0.000 0.890 134 N CB 1.062 39.544 38.487 -0.008 0.000 1.116 134 N HN 0.386 nan 8.380 nan 0.000 0.517 135 G N -0.784 108.000 108.800 -0.027 0.000 2.458 135 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.237 135 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.237 135 G C 0.594 175.439 174.900 -0.092 0.000 1.113 135 G CA 0.538 45.607 45.100 -0.052 0.000 0.655 135 G HN 0.774 nan 8.290 nan 0.000 0.513 136 G N -2.006 106.761 108.800 -0.055 0.000 2.619 136 G HA2 0.791 4.751 3.960 -0.000 0.000 0.146 136 G HA3 0.791 4.751 3.960 -0.000 0.000 0.146 136 G C 0.492 175.426 174.900 0.057 0.000 1.192 136 G CA 1.371 46.443 45.100 -0.048 0.000 1.063 136 G HN 2.420 nan 8.290 nan 0.000 0.538 137 G N -0.873 107.970 108.800 0.070 0.000 2.353 137 G HA2 0.417 4.377 3.960 -0.000 0.000 0.424 137 G HA3 0.417 4.377 3.960 -0.000 0.000 0.424 137 G C -1.869 173.077 174.900 0.078 0.000 1.320 137 G CA 0.224 45.357 45.100 0.055 0.000 0.995 137 G HN 1.047 nan 8.290 nan 0.000 0.580 138 D N -0.126 120.284 120.400 0.017 0.000 2.393 138 D HA 0.367 5.007 4.640 -0.000 0.000 0.232 138 D C 1.661 177.911 176.300 -0.083 0.000 1.192 138 D CA -0.332 53.665 54.000 -0.005 0.000 0.882 138 D CB 0.552 41.342 40.800 -0.018 0.000 1.038 138 D HN 0.492 nan 8.370 nan 0.000 0.499 139 I N 3.536 124.017 120.570 -0.147 0.000 2.530 139 I HA -0.239 3.930 4.170 -0.000 0.000 0.257 139 I C 1.320 177.154 176.117 -0.471 0.000 1.179 139 I CA 0.760 61.770 61.300 -0.484 0.000 1.440 139 I CB 0.332 37.830 38.000 -0.837 0.000 1.087 139 I HN 0.340 nan 8.210 nan 0.000 0.440 140 V N 0.614 120.448 119.914 -0.134 0.000 2.273 140 V HA -0.241 3.879 4.120 -0.000 0.000 0.242 140 V C 2.581 178.667 176.094 -0.014 0.000 1.035 140 V CA 2.311 64.627 62.300 0.027 0.000 1.013 140 V CB -0.772 31.083 31.823 0.052 0.000 0.652 140 V HN 0.621 nan 8.190 nan 0.000 0.452 141 T N -2.393 112.141 114.554 -0.033 0.000 2.857 141 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 141 T C 1.697 176.381 174.700 -0.028 0.000 1.048 141 T CA 1.131 63.221 62.100 -0.016 0.000 1.139 141 T CB -0.257 68.603 68.868 -0.013 0.000 0.874 141 T HN 0.361 nan 8.240 nan 0.000 0.455 142 E N 0.407 120.558 120.200 -0.082 0.000 2.152 142 E HA 0.096 4.445 4.350 -0.000 0.000 0.192 142 E C 1.732 178.245 176.600 -0.144 0.000 0.983 142 E CA 0.806 57.143 56.400 -0.104 0.000 0.818 142 E CB 0.018 29.632 29.700 -0.143 0.000 0.758 142 E HN 0.482 nan 8.360 nan 0.000 0.467 143 L N -2.128 118.953 121.223 -0.236 0.000 2.692 143 L HA 0.134 4.474 4.340 -0.000 0.000 0.175 143 L C 1.552 178.388 176.870 -0.057 0.000 1.112 143 L CA 0.468 55.150 54.840 -0.264 0.000 0.908 143 L CB -0.796 40.914 42.059 -0.581 0.000 1.672 143 L HN -0.185 nan 8.230 nan 0.000 0.500 144 F N 1.307 121.218 119.950 -0.064 0.000 2.192 144 F HA -0.153 4.374 4.527 -0.000 0.000 0.301 144 F C 2.477 178.278 175.800 0.001 0.000 1.079 144 F CA 1.730 59.706 58.000 -0.041 0.000 1.303 144 F CB -0.921 38.028 39.000 -0.084 0.000 1.024 144 F HN 0.183 nan 8.300 nan 0.000 0.494 145 K N 0.099 120.601 120.400 0.171 0.000 2.044 145 K HA -0.017 4.303 4.320 -0.000 0.000 0.204 145 K C -0.743 175.912 176.600 0.092 0.000 1.049 145 K CA 0.922 57.272 56.287 0.106 0.000 0.945 145 K CB -1.469 31.068 32.500 0.062 0.000 0.724 145 K HN 0.043 nan 8.250 nan 0.000 0.440 146 P HA -0.102 nan 4.420 nan 0.000 0.217 146 P C 1.106 178.438 177.300 0.054 0.000 1.151 146 P CA 0.637 63.783 63.100 0.077 0.000 0.828 146 P CB 0.042 31.836 31.700 0.156 0.000 0.788 147 L N 1.823 123.193 121.223 0.246 0.000 1.978 147 L HA -0.130 4.210 4.340 -0.000 0.000 0.218 147 L C -0.924 175.993 176.870 0.078 0.000 1.075 147 L CA 2.880 57.865 54.840 0.241 0.000 0.767 147 L CB -2.522 39.727 42.059 0.317 0.000 0.890 147 L HN 0.072 nan 8.230 nan 0.000 0.434 148 P HA -0.113 nan 4.420 nan 0.000 0.230 148 P C 1.792 179.083 177.300 -0.015 0.000 1.158 148 P CA 1.346 64.467 63.100 0.036 0.000 0.769 148 P CB -0.001 31.727 31.700 0.045 0.000 0.807 149 S N -0.278 115.395 115.700 -0.045 0.000 2.348 149 S HA -0.129 4.341 4.470 -0.000 0.000 0.221 149 S C 2.044 176.520 174.600 -0.206 0.000 1.033 149 S CA 1.341 59.494 58.200 -0.078 0.000 1.010 149 S CB -0.794 62.358 63.200 -0.080 0.000 0.891 149 S HN 0.003 nan 8.310 nan 0.000 0.442 150 M N 0.761 120.168 119.600 -0.322 0.000 2.082 150 M HA -0.132 4.348 4.480 -0.000 0.000 0.258 150 M C 2.083 178.017 176.300 -0.610 0.000 1.069 150 M CA 1.688 56.598 55.300 -0.650 0.000 1.102 150 M CB -0.771 31.559 32.600 -0.450 0.000 1.336 150 M HN 0.232 nan 8.290 nan 0.000 0.404 151 V N -0.492 119.287 119.914 -0.226 0.000 2.407 151 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 151 V C 2.348 178.516 176.094 0.124 0.000 1.055 151 V CA 1.544 63.844 62.300 -0.001 0.000 1.049 151 V CB -0.966 30.935 31.823 0.130 0.000 0.662 151 V HN 0.306 nan 8.190 nan 0.000 0.455 152 V N 0.585 120.512 119.914 0.022 0.000 2.237 152 V HA -0.279 3.841 4.120 -0.000 0.000 0.245 152 V C 2.830 178.911 176.094 -0.021 0.000 1.046 152 V CA 2.185 64.525 62.300 0.066 0.000 1.007 152 V CB -1.330 30.519 31.823 0.045 0.000 0.638 152 V HN 0.550 nan 8.190 nan 0.000 0.445 153 A N -0.321 122.336 122.820 -0.272 0.000 1.903 153 A HA -0.375 3.945 4.320 -0.000 0.000 0.219 153 A C 2.117 179.515 177.584 -0.311 0.000 1.191 153 A CA 2.721 54.429 52.037 -0.549 0.000 0.638 153 A CB -1.028 17.289 19.000 -1.139 0.000 0.823 153 A HN 0.799 nan 8.150 nan 0.000 0.451 154 H N -2.132 116.703 119.070 -0.391 0.000 2.387 154 H HA -0.183 4.373 4.556 -0.000 0.000 0.299 154 H C 1.605 176.802 175.328 -0.218 0.000 1.099 154 H CA 2.255 58.205 56.048 -0.163 0.000 1.315 154 H CB -0.317 29.327 29.762 -0.197 0.000 1.380 154 H HN 0.602 nan 8.280 nan 0.000 0.513 155 Y N -0.669 119.512 120.300 -0.200 0.000 2.475 155 Y HA 0.059 4.609 4.550 -0.000 0.000 0.289 155 Y C 2.066 177.871 175.900 -0.159 0.000 1.121 155 Y CA 0.449 58.374 58.100 -0.292 0.000 1.257 155 Y CB 0.255 38.531 38.460 -0.307 0.000 1.026 155 Y HN 0.176 nan 8.280 nan 0.000 0.555 156 L N -1.193 120.072 121.223 0.071 0.000 2.558 156 L HA 0.167 4.507 4.340 -0.000 0.000 0.225 156 L C 1.432 178.385 176.870 0.138 0.000 1.128 156 L CA 0.716 55.662 54.840 0.175 0.000 0.868 156 L CB -0.341 41.883 42.059 0.276 0.000 1.006 156 L HN 0.389 nan 8.230 nan 0.000 0.454 157 G N 0.598 109.398 108.800 -0.001 0.000 2.182 157 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.248 157 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.248 157 G C 0.040 174.968 174.900 0.047 0.000 1.042 157 G CA -0.024 45.074 45.100 -0.003 0.000 0.775 157 G HN 0.089 nan 8.290 nan 0.000 0.501 158 V N 1.231 121.162 119.914 0.029 0.000 2.427 158 V HA 0.318 4.438 4.120 -0.000 0.000 0.268 158 V C -1.316 174.934 176.094 0.259 0.000 1.046 158 V CA -1.386 60.932 62.300 0.031 0.000 0.970 158 V CB 1.259 32.850 31.823 -0.386 0.000 1.001 158 V HN 0.149 nan 8.190 nan 0.000 0.476 159 P HA 0.050 nan 4.420 nan 0.000 0.264 159 P C 1.024 178.222 177.300 -0.170 0.000 1.193 159 P CA 0.166 63.273 63.100 0.011 0.000 0.763 159 P CB 0.555 32.260 31.700 0.009 0.000 0.810 160 E N 3.124 122.969 120.200 -0.592 0.000 2.136 160 E HA -0.310 4.040 4.350 -0.000 0.000 0.202 160 E C 1.719 177.977 176.600 -0.570 0.000 1.019 160 E CA 1.593 57.279 56.400 -1.191 0.000 0.819 160 E CB -0.051 29.019 29.700 -1.050 0.000 0.739 160 E HN 0.652 nan 8.360 nan 0.000 0.458 161 E N 1.237 121.262 120.200 -0.291 0.000 2.130 161 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 161 E C 1.300 177.852 176.600 -0.080 0.000 0.998 161 E CA 1.402 57.711 56.400 -0.153 0.000 0.806 161 E CB -0.365 29.279 29.700 -0.093 0.000 0.738 161 E HN 0.347 nan 8.360 nan 0.000 0.459 162 D N 0.051 120.434 120.400 -0.029 0.000 2.224 162 D HA -0.104 4.536 4.640 -0.000 0.000 0.205 162 D C 1.575 177.910 176.300 0.057 0.000 0.965 162 D CA 0.486 54.490 54.000 0.006 0.000 0.852 162 D CB -0.394 40.440 40.800 0.056 0.000 0.947 162 D HN 0.264 nan 8.370 nan 0.000 0.494 163 W N 2.023 123.225 121.300 -0.163 0.000 2.296 163 W HA -0.191 4.469 4.660 -0.000 0.000 0.296 163 W C 2.370 178.809 176.519 -0.133 0.000 1.220 163 W CA 1.070 58.329 57.345 -0.144 0.000 1.223 163 W CB -1.471 27.905 29.460 -0.140 0.000 1.139 163 W HN -0.001 nan 8.180 nan 0.000 0.534 164 T N -0.882 113.712 114.554 0.067 0.000 2.770 164 T HA -0.247 4.103 4.350 -0.000 0.000 0.263 164 T C 1.720 176.318 174.700 -0.170 0.000 1.039 164 T CA 1.652 63.724 62.100 -0.045 0.000 1.142 164 T CB -0.471 68.363 68.868 -0.056 0.000 0.868 164 T HN 0.277 nan 8.240 nan 0.000 0.435 165 Q N -0.212 119.435 119.800 -0.256 0.000 2.079 165 Q HA -0.100 4.240 4.340 -0.000 0.000 0.200 165 Q C 2.064 177.480 176.000 -0.974 0.000 0.974 165 Q CA 1.171 56.646 55.803 -0.546 0.000 0.840 165 Q CB -0.290 28.150 28.738 -0.497 0.000 0.898 165 Q HN 0.496 nan 8.270 nan 0.000 0.430 166 F N 1.762 121.202 119.950 -0.849 0.000 2.026 166 F HA -0.228 4.299 4.527 -0.000 0.000 0.296 166 F C 1.901 177.474 175.800 -0.379 0.000 1.133 166 F CA 2.285 59.872 58.000 -0.689 0.000 1.188 166 F CB -0.595 38.180 39.000 -0.375 0.000 0.968 166 F HN 0.232 nan 8.300 nan 0.000 0.476 167 D N -0.253 120.102 120.400 -0.075 0.000 2.203 167 D HA -0.171 4.469 4.640 -0.000 0.000 0.199 167 D C 2.388 178.568 176.300 -0.199 0.000 0.997 167 D CA 1.561 55.494 54.000 -0.111 0.000 0.863 167 D CB -0.784 39.970 40.800 -0.076 0.000 0.928 167 D HN 0.399 nan 8.370 nan 0.000 0.458 168 G N -0.125 108.489 108.800 -0.311 0.000 2.476 168 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 168 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 168 G C 1.322 176.116 174.900 -0.177 0.000 1.164 168 G CA 0.987 45.914 45.100 -0.288 0.000 0.768 168 G HN 0.294 nan 8.290 nan 0.000 0.560 169 W N 1.021 122.202 121.300 -0.199 0.000 2.408 169 W HA 0.026 4.686 4.660 0.000 0.000 0.311 169 W C 2.779 179.146 176.519 -0.253 0.000 1.190 169 W CA 1.295 58.509 57.345 -0.218 0.000 1.321 169 W CB -1.585 27.702 29.460 -0.288 0.000 1.143 169 W HN 0.156 nan 8.180 nan 0.000 0.501 170 T N 1.452 115.921 114.554 -0.142 0.000 2.594 170 T HA -0.284 4.066 4.350 -0.000 0.000 0.266 170 T C 1.686 176.332 174.700 -0.090 0.000 1.070 170 T CA 2.282 64.267 62.100 -0.192 0.000 1.166 170 T CB -0.582 68.165 68.868 -0.200 0.000 0.862 170 T HN 0.111 nan 8.240 nan 0.000 0.436 171 Q N 0.422 120.184 119.800 -0.063 0.000 2.364 171 Q HA 0.103 4.443 4.340 -0.000 0.000 0.207 171 Q C 2.500 178.499 176.000 -0.003 0.000 0.970 171 Q CA 1.134 56.919 55.803 -0.029 0.000 0.888 171 Q CB -0.426 28.295 28.738 -0.028 0.000 0.951 171 Q HN 0.644 nan 8.270 nan 0.000 0.469 172 A N 0.476 123.305 122.820 0.014 0.000 1.903 172 A HA 0.005 4.325 4.320 -0.000 0.000 0.213 172 A C 2.101 179.709 177.584 0.041 0.000 1.185 172 A CA 0.358 52.420 52.037 0.041 0.000 0.628 172 A CB -0.264 18.784 19.000 0.080 0.000 0.830 172 A HN 0.235 nan 8.150 nan 0.000 0.446 173 I N 0.045 120.632 120.570 0.028 0.000 2.202 173 I HA -0.146 4.024 4.170 -0.000 0.000 0.242 173 I C 1.538 177.671 176.117 0.028 0.000 1.091 173 I CA 0.896 62.217 61.300 0.036 0.000 1.368 173 I CB -0.167 37.822 38.000 -0.017 0.000 1.058 173 I HN 0.054 nan 8.210 nan 0.000 0.410 174 V N 1.804 121.715 119.914 -0.005 0.000 3.593 174 V HA 0.057 4.177 4.120 -0.000 0.000 0.275 174 V C 0.975 177.085 176.094 0.027 0.000 1.237 174 V CA 0.352 62.657 62.300 0.007 0.000 1.194 174 V CB -2.037 29.779 31.823 -0.012 0.000 0.949 174 V HN 0.336 nan 8.190 nan 0.000 0.467 184 T N 2.175 116.746 114.554 0.028 0.000 3.945 184 T HA 0.461 4.811 4.350 -0.000 0.000 0.306 184 T C 1.614 176.333 174.700 0.032 0.000 1.475 184 T CA 0.437 62.556 62.100 0.031 0.000 1.177 184 T CB 0.208 69.092 68.868 0.027 0.000 1.272 184 T HN 0.562 nan 8.240 nan 0.000 0.930 185 G N 0.531 109.353 108.800 0.037 0.000 2.985 185 G HA2 0.248 4.207 3.960 -0.000 0.000 0.209 185 G HA3 0.248 4.207 3.960 -0.000 0.000 0.209 185 G C 1.406 176.336 174.900 0.050 0.000 1.165 185 G CA 0.242 45.367 45.100 0.042 0.000 0.776 185 G HN 0.654 nan 8.290 nan 0.000 0.541 186 A N 0.343 123.193 122.820 0.049 0.000 2.014 186 A HA 0.186 4.506 4.320 -0.000 0.000 0.218 186 A C 2.175 179.788 177.584 0.049 0.000 1.163 186 A CA 0.715 52.787 52.037 0.059 0.000 0.652 186 A CB -0.194 18.844 19.000 0.063 0.000 0.808 186 A HN 0.317 nan 8.150 nan 0.000 0.449 187 L N 0.310 121.553 121.223 0.032 0.000 2.012 187 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 187 L C 2.253 179.123 176.870 -0.000 0.000 1.073 187 L CA 2.417 57.264 54.840 0.012 0.000 0.748 187 L CB -0.455 41.607 42.059 0.005 0.000 0.891 187 L HN 0.513 nan 8.230 nan 0.000 0.431 188 D N -0.849 119.556 120.400 0.008 0.000 2.117 188 D HA -0.197 4.443 4.640 -0.000 0.000 0.197 188 D C 2.043 178.321 176.300 -0.036 0.000 0.987 188 D CA 1.340 55.340 54.000 -0.000 0.000 0.829 188 D CB 0.254 41.072 40.800 0.030 0.000 0.961 188 D HN 0.379 nan 8.370 nan 0.000 0.460 189 A N 0.397 123.216 122.820 -0.001 0.000 1.940 189 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 189 A C 2.636 180.105 177.584 -0.192 0.000 1.176 189 A CA 1.537 53.547 52.037 -0.045 0.000 0.631 189 A CB -0.695 18.366 19.000 0.103 0.000 0.814 189 A HN 0.238 nan 8.150 nan 0.000 0.446 190 V N -0.262 119.629 119.914 -0.039 0.000 2.358 190 V HA -0.136 3.984 4.120 -0.000 0.000 0.246 190 V C 2.820 178.872 176.094 -0.070 0.000 1.047 190 V CA 1.839 64.163 62.300 0.040 0.000 1.035 190 V CB -1.435 30.433 31.823 0.075 0.000 0.658 190 V HN 0.598 nan 8.190 nan 0.000 0.452 191 G N -0.193 108.547 108.800 -0.100 0.000 2.421 191 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 191 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 191 G C 1.833 176.626 174.900 -0.177 0.000 1.171 191 G CA 1.250 46.288 45.100 -0.102 0.000 0.775 191 G HN 0.521 nan 8.290 nan 0.000 0.543 192 S N 0.207 115.716 115.700 -0.318 0.000 2.356 192 S HA -0.150 4.320 4.470 -0.000 0.000 0.223 192 S C 2.239 176.341 174.600 -0.831 0.000 1.032 192 S CA 1.570 59.459 58.200 -0.520 0.000 1.005 192 S CB -0.343 62.464 63.200 -0.654 0.000 0.867 192 S HN 0.415 nan 8.310 nan 0.000 0.449 193 M N 0.525 119.497 119.600 -1.046 0.000 2.159 193 M HA -0.091 4.389 4.480 -0.000 0.000 0.263 193 M C 1.884 178.220 176.300 0.061 0.000 1.063 193 M CA 1.245 56.146 55.300 -0.665 0.000 1.110 193 M CB -0.161 32.252 32.600 -0.312 0.000 1.374 193 M HN 0.215 nan 8.290 nan 0.000 0.411 194 M N 0.233 119.862 119.600 0.048 0.000 2.065 194 M HA -0.147 4.333 4.480 -0.000 0.000 0.259 194 M C 2.468 178.862 176.300 0.155 0.000 1.071 194 M CA 2.108 57.501 55.300 0.154 0.000 1.109 194 M CB -1.699 30.926 32.600 0.042 0.000 1.313 194 M HN 0.452 nan 8.290 nan 0.000 0.408 195 A N -1.050 121.799 122.820 0.047 0.000 1.940 195 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 195 A C 2.151 179.774 177.584 0.065 0.000 1.176 195 A CA 1.650 53.713 52.037 0.042 0.000 0.631 195 A CB -1.259 17.745 19.000 0.006 0.000 0.814 195 A HN 0.552 nan 8.150 nan 0.000 0.446 196 Y N -0.664 119.617 120.300 -0.031 0.000 2.053 196 Y HA -0.277 4.272 4.550 -0.000 0.000 0.277 196 Y C 1.972 177.880 175.900 0.014 0.000 1.159 196 Y CA 2.307 60.412 58.100 0.007 0.000 1.125 196 Y CB -0.563 37.904 38.460 0.012 0.000 0.969 196 Y HN 0.275 nan 8.280 nan 0.000 0.492 197 F N 0.435 120.543 119.950 0.264 0.000 2.269 197 F HA -0.213 4.314 4.527 -0.000 0.000 0.301 197 F C 2.709 178.542 175.800 0.054 0.000 1.082 197 F CA 1.862 59.982 58.000 0.200 0.000 1.360 197 F CB -0.985 38.183 39.000 0.281 0.000 1.041 197 F HN 0.267 nan 8.300 nan 0.000 0.512 198 T N -3.089 111.573 114.554 0.180 0.000 2.821 198 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 198 T C 2.383 177.092 174.700 0.015 0.000 1.046 198 T CA 1.217 63.375 62.100 0.097 0.000 1.139 198 T CB -1.114 67.793 68.868 0.065 0.000 0.871 198 T HN 0.272 nan 8.240 nan 0.000 0.454 199 G N 1.265 110.020 108.800 -0.074 0.000 2.394 199 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.215 199 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.215 199 G C 1.441 176.255 174.900 -0.143 0.000 1.165 199 G CA 0.691 45.716 45.100 -0.125 0.000 0.784 199 G HN 0.434 nan 8.290 nan 0.000 0.535 200 L N 0.974 122.064 121.223 -0.222 0.000 2.083 200 L HA 0.062 4.402 4.340 -0.000 0.000 0.209 200 L C 2.640 179.509 176.870 -0.001 0.000 1.083 200 L CA 1.249 56.001 54.840 -0.147 0.000 0.752 200 L CB -0.434 41.523 42.059 -0.171 0.000 0.899 200 L HN 0.271 nan 8.230 nan 0.000 0.433 201 I N -1.220 119.387 120.570 0.061 0.000 2.202 201 I HA -0.205 3.965 4.170 -0.000 0.000 0.242 201 I C 2.497 178.635 176.117 0.034 0.000 1.091 201 I CA 0.864 62.214 61.300 0.082 0.000 1.368 201 I CB -0.448 37.620 38.000 0.112 0.000 1.058 201 I HN 0.272 nan 8.210 nan 0.000 0.410 202 E N 1.386 121.594 120.200 0.014 0.000 2.033 202 E HA -0.291 4.059 4.350 -0.000 0.000 0.199 202 E C 2.232 178.826 176.600 -0.009 0.000 1.011 202 E CA 1.624 58.024 56.400 -0.000 0.000 0.815 202 E CB -0.284 29.408 29.700 -0.013 0.000 0.755 202 E HN 0.313 nan 8.360 nan 0.000 0.451 203 R N 0.138 120.623 120.500 -0.025 0.000 2.112 203 R HA -0.169 4.171 4.340 -0.000 0.000 0.242 203 R C 2.204 178.492 176.300 -0.020 0.000 1.137 203 R CA 1.796 57.878 56.100 -0.030 0.000 0.944 203 R CB -0.121 30.149 30.300 -0.049 0.000 0.857 203 R HN -0.001 nan 8.270 nan 0.000 0.435 204 R N 0.667 121.161 120.500 -0.010 0.000 2.316 204 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 204 R C 2.046 178.338 176.300 -0.015 0.000 1.137 204 R CA 1.043 57.137 56.100 -0.011 0.000 1.012 204 R CB -0.491 29.814 30.300 0.009 0.000 0.859 204 R HN 0.437 nan 8.270 nan 0.000 0.474 205 R N -0.292 120.203 120.500 -0.008 0.000 2.148 205 R HA -0.050 4.290 4.340 -0.000 0.000 0.227 205 R C 1.384 177.675 176.300 -0.015 0.000 1.103 205 R CA 1.737 57.832 56.100 -0.008 0.000 0.983 205 R CB 0.015 30.314 30.300 -0.003 0.000 0.874 205 R HN 0.307 nan 8.270 nan 0.000 0.451 206 T N -3.101 111.442 114.554 -0.018 0.000 3.040 206 T HA 0.212 4.562 4.350 -0.000 0.000 0.266 206 T C 0.273 174.957 174.700 -0.026 0.000 1.005 206 T CA -0.368 61.720 62.100 -0.021 0.000 0.906 206 T CB 0.477 69.335 68.868 -0.017 0.000 1.082 206 T HN 0.090 nan 8.240 nan 0.000 0.531 207 E N 1.830 122.011 120.200 -0.031 0.000 3.909 207 E HA 0.221 4.571 4.350 -0.000 0.000 0.236 207 E C -2.996 173.573 176.600 -0.051 0.000 1.222 207 E CA -1.633 54.744 56.400 -0.038 0.000 1.205 207 E CB 1.172 30.852 29.700 -0.034 0.000 1.249 207 E HN 0.254 nan 8.360 nan 0.000 0.411 208 P HA 0.024 nan 4.420 nan 0.000 0.266 208 P C -0.177 177.046 177.300 -0.127 0.000 1.419 208 P CA 0.330 63.370 63.100 -0.100 0.000 1.112 208 P CB 0.544 32.183 31.700 -0.103 0.000 1.438 209 A N 3.175 125.920 122.820 -0.124 0.000 2.790 209 A HA 0.150 4.470 4.320 -0.000 0.000 0.225 209 A C 1.107 178.575 177.584 -0.194 0.000 1.904 209 A CA 0.328 52.292 52.037 -0.123 0.000 0.878 209 A CB -0.050 18.894 19.000 -0.092 0.000 1.774 209 A HN 0.343 nan 8.150 nan 0.000 0.714 210 D N -0.385 119.932 120.400 -0.139 0.000 2.431 210 D HA 0.080 4.720 4.640 -0.000 0.000 0.213 210 D C -0.542 175.756 176.300 -0.003 0.000 1.130 210 D CA -0.067 53.886 54.000 -0.079 0.000 0.834 210 D CB 0.001 40.806 40.800 0.009 0.000 0.985 210 D HN 0.619 nan 8.370 nan 0.000 0.504 211 D N 0.290 120.644 120.400 -0.076 0.000 2.363 211 D HA 0.072 4.712 4.640 -0.000 0.000 0.240 211 D C 1.287 177.651 176.300 0.106 0.000 1.236 211 D CA -0.373 53.596 54.000 -0.051 0.000 0.927 211 D CB 1.306 42.067 40.800 -0.063 0.000 1.150 211 D HN -0.105 nan 8.370 nan 0.000 0.458 212 A N 1.091 123.974 122.820 0.105 0.000 1.877 212 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 212 A C 2.421 180.112 177.584 0.178 0.000 1.186 212 A CA 1.290 53.437 52.037 0.182 0.000 0.620 212 A CB -0.818 18.355 19.000 0.287 0.000 0.822 212 A HN 0.676 nan 8.150 nan 0.000 0.443 213 I N -0.206 120.480 120.570 0.194 0.000 2.163 213 I HA -0.274 3.896 4.170 -0.000 0.000 0.243 213 I C 2.714 178.891 176.117 0.100 0.000 1.085 213 I CA 1.630 63.038 61.300 0.180 0.000 1.347 213 I CB -0.525 37.618 38.000 0.240 0.000 1.044 213 I HN 0.246 nan 8.210 nan 0.000 0.408 214 S N -0.470 115.253 115.700 0.038 0.000 2.370 214 S HA -0.218 4.252 4.470 -0.000 0.000 0.226 214 S C 1.943 176.484 174.600 -0.100 0.000 1.033 214 S CA 1.190 59.353 58.200 -0.061 0.000 1.011 214 S CB -0.491 62.615 63.200 -0.158 0.000 0.852 214 S HN 0.450 nan 8.310 nan 0.000 0.457 215 H N 0.692 119.758 119.070 -0.007 0.000 2.423 215 H HA 0.079 4.635 4.556 -0.000 0.000 0.297 215 H C 2.108 177.420 175.328 -0.027 0.000 1.075 215 H CA 0.957 56.990 56.048 -0.025 0.000 1.342 215 H CB -0.271 29.465 29.762 -0.043 0.000 1.395 215 H HN 0.322 nan 8.280 nan 0.000 0.530 216 L N -0.268 121.010 121.223 0.093 0.000 2.007 216 L HA -0.129 4.211 4.340 -0.000 0.000 0.205 216 L C 2.701 179.601 176.870 0.050 0.000 1.073 216 L CA 0.612 55.484 54.840 0.052 0.000 0.744 216 L CB -0.429 41.662 42.059 0.053 0.000 0.898 216 L HN 0.019 nan 8.230 nan 0.000 0.435 217 V N 0.425 120.369 119.914 0.051 0.000 2.324 217 V HA -0.344 3.776 4.120 -0.000 0.000 0.250 217 V C 2.755 178.861 176.094 0.020 0.000 1.060 217 V CA 1.895 64.218 62.300 0.039 0.000 1.042 217 V CB -1.091 30.755 31.823 0.038 0.000 0.650 217 V HN 0.516 nan 8.190 nan 0.000 0.450 218 A N -0.187 122.635 122.820 0.004 0.000 2.024 218 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 218 A C 2.305 179.896 177.584 0.012 0.000 1.164 218 A CA 1.989 54.022 52.037 -0.006 0.000 0.643 218 A CB -0.562 18.417 19.000 -0.034 0.000 0.806 218 A HN 0.621 nan 8.150 nan 0.000 0.451 219 A N -2.333 120.501 122.820 0.024 0.000 2.123 219 A HA 0.407 4.727 4.320 -0.000 0.000 0.214 219 A C 1.788 179.384 177.584 0.021 0.000 1.152 219 A CA 1.477 53.528 52.037 0.023 0.000 0.728 219 A CB -0.435 18.580 19.000 0.025 0.000 0.814 219 A HN 1.743 nan 8.150 nan 0.000 0.464 220 G N -2.216 106.597 108.800 0.023 0.000 2.227 220 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.168 220 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.168 220 G C 0.052 174.968 174.900 0.027 0.000 1.006 220 G CA -0.110 45.002 45.100 0.021 0.000 0.684 220 G HN 0.642 nan 8.290 nan 0.000 0.489 221 V N 1.449 121.385 119.914 0.036 0.000 2.521 221 V HA 0.468 4.588 4.120 -0.000 0.000 0.286 221 V C 1.986 178.107 176.094 0.046 0.000 1.034 221 V CA 1.455 63.781 62.300 0.044 0.000 1.045 221 V CB 0.473 32.332 31.823 0.060 0.000 0.974 221 V HN 1.842 nan 8.190 nan 0.000 0.480 222 G N 4.458 113.282 108.800 0.040 0.000 2.412 222 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.252 222 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.252 222 G C 0.789 175.709 174.900 0.033 0.000 1.038 222 G CA 0.376 45.501 45.100 0.041 0.000 0.628 222 G HN 1.679 nan 8.290 nan 0.000 0.531 223 A N 1.449 124.287 122.820 0.031 0.000 3.051 223 A HA 0.476 4.796 4.320 -0.000 0.000 0.275 223 A C 1.007 178.601 177.584 0.017 0.000 1.900 223 A CA 1.440 53.491 52.037 0.023 0.000 1.496 223 A CB -0.685 18.326 19.000 0.019 0.000 1.013 223 A HN 1.404 nan 8.150 nan 0.000 0.611 224 D N -0.313 120.097 120.400 0.016 0.000 4.428 224 D HA -0.063 4.577 4.640 -0.000 0.000 0.114 224 D C 0.451 176.758 176.300 0.011 0.000 0.522 224 D CA 0.218 54.225 54.000 0.012 0.000 0.610 224 D CB -1.421 39.385 40.800 0.011 0.000 1.645 224 D HN 1.389 nan 8.370 nan 0.000 0.249 225 G N 1.387 110.195 108.800 0.013 0.000 2.283 225 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.280 225 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.280 225 G C 0.605 175.513 174.900 0.012 0.000 1.029 225 G CA 0.926 46.033 45.100 0.012 0.000 0.840 225 G HN 0.490 nan 8.290 nan 0.000 0.505 226 D N 0.085 120.494 120.400 0.015 0.000 2.108 226 D HA -0.017 4.623 4.640 -0.000 0.000 0.190 226 D C 1.545 177.852 176.300 0.012 0.000 0.995 226 D CA 2.218 56.227 54.000 0.014 0.000 0.834 226 D CB -0.238 40.574 40.800 0.019 0.000 0.967 226 D HN 1.069 nan 8.370 nan 0.000 0.446 227 T N -2.041 112.521 114.554 0.014 0.000 0.541 227 T HA 0.060 4.410 4.350 -0.000 0.000 0.774 227 T C 0.882 175.587 174.700 0.008 0.000 0.992 227 T CA 1.694 63.800 62.100 0.010 0.000 4.077 227 T CB -1.248 67.623 68.868 0.004 0.000 2.303 227 T HN 0.908 nan 8.240 nan 0.000 0.398 228 A N -0.014 122.808 122.820 0.003 0.000 1.271 228 A HA -0.304 4.016 4.320 -0.000 0.000 0.306 228 A C 2.468 180.055 177.584 0.006 0.000 1.266 228 A CA 3.252 55.289 52.037 -0.001 0.000 1.093 228 A CB -2.278 16.720 19.000 -0.002 0.000 1.471 228 A HN 2.677 nan 8.150 nan 0.000 0.723 229 G N -1.603 107.204 108.800 0.011 0.000 2.476 229 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.218 229 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.218 229 G C 1.856 176.776 174.900 0.034 0.000 1.164 229 G CA 2.965 48.077 45.100 0.020 0.000 0.768 229 G HN 1.981 nan 8.290 nan 0.000 0.560 230 T N -0.578 113.997 114.554 0.035 0.000 2.951 230 T HA 0.055 4.405 4.350 -0.000 0.000 0.268 230 T C 2.342 177.071 174.700 0.049 0.000 1.073 230 T CA 1.106 63.236 62.100 0.050 0.000 1.134 230 T CB -0.159 68.737 68.868 0.047 0.000 0.884 230 T HN 0.038 nan 8.240 nan 0.000 0.479 231 L N 2.353 123.593 121.223 0.028 0.000 2.109 231 L HA 0.110 4.450 4.340 -0.000 0.000 0.207 231 L C 3.106 179.989 176.870 0.020 0.000 1.086 231 L CA 1.613 56.462 54.840 0.014 0.000 0.760 231 L CB -0.716 41.339 42.059 -0.008 0.000 0.910 231 L HN 0.512 nan 8.230 nan 0.000 0.437 232 S N -0.835 114.879 115.700 0.024 0.000 2.402 232 S HA -0.129 4.341 4.470 -0.000 0.000 0.229 232 S C 2.047 176.701 174.600 0.090 0.000 1.021 232 S CA 0.657 58.875 58.200 0.030 0.000 0.974 232 S CB -0.526 62.672 63.200 -0.004 0.000 0.800 232 S HN 0.226 nan 8.310 nan 0.000 0.484 233 I N 2.296 122.927 120.570 0.100 0.000 2.179 233 I HA -0.109 4.061 4.170 -0.000 0.000 0.242 233 I C 2.402 178.607 176.117 0.147 0.000 1.088 233 I CA 1.284 62.677 61.300 0.156 0.000 1.357 233 I CB -1.170 36.911 38.000 0.135 0.000 1.051 233 I HN 0.371 nan 8.210 nan 0.000 0.409 234 L N 0.278 121.550 121.223 0.081 0.000 2.275 234 L HA -0.113 4.227 4.340 -0.000 0.000 0.215 234 L C 2.722 179.635 176.870 0.072 0.000 1.119 234 L CA 0.915 55.776 54.840 0.036 0.000 0.790 234 L CB -0.761 41.327 42.059 0.048 0.000 0.919 234 L HN 0.159 nan 8.230 nan 0.000 0.443 235 A N 0.188 123.057 122.820 0.082 0.000 1.897 235 A HA -0.209 4.111 4.320 -0.000 0.000 0.215 235 A C 2.145 179.827 177.584 0.164 0.000 1.181 235 A CA 1.048 53.135 52.037 0.085 0.000 0.620 235 A CB -0.638 18.389 19.000 0.045 0.000 0.821 235 A HN 0.358 nan 8.150 nan 0.000 0.443 236 F N 2.041 122.021 119.950 0.049 0.000 2.102 236 F HA -0.180 4.347 4.527 0.000 0.000 0.298 236 F C 2.729 178.569 175.800 0.067 0.000 1.105 236 F CA 2.450 60.501 58.000 0.085 0.000 1.239 236 F CB -0.773 38.314 39.000 0.146 0.000 0.991 236 F HN 0.325 nan 8.300 nan 0.000 0.474 237 T N -1.922 112.591 114.554 -0.069 0.000 2.881 237 T HA -0.249 4.101 4.350 -0.000 0.000 0.270 237 T C 1.977 176.535 174.700 -0.236 0.000 1.068 237 T CA 1.458 63.372 62.100 -0.310 0.000 1.131 237 T CB -1.247 67.183 68.868 -0.730 0.000 0.871 237 T HN 0.273 nan 8.240 nan 0.000 0.479 238 F N 2.126 121.951 119.950 -0.209 0.000 2.206 238 F HA 0.061 4.588 4.527 -0.000 0.000 0.298 238 F C 2.762 178.493 175.800 -0.115 0.000 1.090 238 F CA 1.394 59.318 58.000 -0.127 0.000 1.323 238 F CB -0.635 38.313 39.000 -0.087 0.000 1.028 238 F HN 0.149 nan 8.300 nan 0.000 0.492 239 T N 0.543 115.105 114.554 0.014 0.000 2.652 239 T HA -0.232 4.118 4.350 -0.000 0.000 0.267 239 T C 2.064 176.681 174.700 -0.139 0.000 1.039 239 T CA 1.684 63.759 62.100 -0.042 0.000 1.153 239 T CB -0.217 68.621 68.868 -0.050 0.000 0.863 239 T HN 0.049 nan 8.240 nan 0.000 0.428 240 M N 0.958 120.390 119.600 -0.279 0.000 2.065 240 M HA -0.066 4.414 4.480 -0.000 0.000 0.259 240 M C 2.581 178.800 176.300 -0.135 0.000 1.071 240 M CA 1.216 56.374 55.300 -0.236 0.000 1.109 240 M CB -1.801 30.599 32.600 -0.335 0.000 1.313 240 M HN 0.114 nan 8.290 nan 0.000 0.408 241 V N 0.797 120.616 119.914 -0.157 0.000 2.278 241 V HA -0.330 3.790 4.120 -0.000 0.000 0.251 241 V C 2.634 178.637 176.094 -0.151 0.000 1.062 241 V CA 2.625 64.839 62.300 -0.143 0.000 1.038 241 V CB -1.536 30.099 31.823 -0.314 0.000 0.646 241 V HN 0.692 nan 8.190 nan 0.000 0.447 242 T N -2.204 112.246 114.554 -0.173 0.000 2.837 242 T HA 0.066 4.416 4.350 -0.000 0.000 0.248 242 T C 2.029 176.708 174.700 -0.035 0.000 1.033 242 T CA 1.021 63.066 62.100 -0.093 0.000 1.150 242 T CB -0.886 67.950 68.868 -0.054 0.000 0.865 242 T HN 0.433 nan 8.240 nan 0.000 0.425 243 G N 1.453 110.237 108.800 -0.027 0.000 2.446 243 G HA2 0.032 3.992 3.960 -0.000 0.000 0.217 243 G HA3 0.032 3.992 3.960 -0.000 0.000 0.217 243 G C 1.751 176.646 174.900 -0.008 0.000 1.168 243 G CA 0.739 45.836 45.100 -0.004 0.000 0.771 243 G HN 0.679 nan 8.290 nan 0.000 0.551 244 G N 0.269 109.052 108.800 -0.029 0.000 2.470 244 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.220 244 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.220 244 G C 1.661 176.561 174.900 0.000 0.000 1.121 244 G CA 1.157 46.248 45.100 -0.015 0.000 0.766 244 G HN 0.475 nan 8.290 nan 0.000 0.553 245 N N 0.458 119.155 118.700 -0.006 0.000 2.176 245 N HA 0.009 4.749 4.740 -0.000 0.000 0.187 245 N C 1.795 177.312 175.510 0.012 0.000 1.043 245 N CA 0.921 53.974 53.050 0.004 0.000 0.851 245 N CB -0.028 38.455 38.487 -0.007 0.000 1.018 245 N HN 0.013 nan 8.380 nan 0.000 0.436 246 D N -0.132 120.275 120.400 0.012 0.000 2.133 246 D HA -0.203 4.437 4.640 -0.000 0.000 0.192 246 D C 1.960 178.267 176.300 0.011 0.000 1.001 246 D CA 1.967 55.978 54.000 0.018 0.000 0.844 246 D CB -0.961 39.858 40.800 0.030 0.000 0.944 246 D HN 0.477 nan 8.370 nan 0.000 0.447 247 T N -0.745 113.818 114.554 0.015 0.000 2.684 247 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 247 T C 2.274 176.975 174.700 0.002 0.000 1.036 247 T CA 1.571 63.679 62.100 0.013 0.000 1.148 247 T CB -0.847 68.040 68.868 0.032 0.000 0.863 247 T HN 0.035 nan 8.240 nan 0.000 0.436 248 V N 1.839 121.760 119.914 0.012 0.000 2.307 248 V HA -0.146 3.974 4.120 -0.000 0.000 0.245 248 V C 3.095 179.163 176.094 -0.044 0.000 1.045 248 V CA 2.204 64.503 62.300 -0.000 0.000 1.024 248 V CB -1.423 30.416 31.823 0.027 0.000 0.651 248 V HN 0.563 nan 8.190 nan 0.000 0.449 249 T N 0.583 115.128 114.554 -0.015 0.000 2.699 249 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 249 T C 1.906 176.558 174.700 -0.080 0.000 1.036 249 T CA 1.773 63.863 62.100 -0.018 0.000 1.147 249 T CB -0.734 68.147 68.868 0.022 0.000 0.862 249 T HN 0.639 nan 8.240 nan 0.000 0.446 250 G N 1.353 110.124 108.800 -0.048 0.000 2.459 250 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 250 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 250 G C 1.562 176.421 174.900 -0.068 0.000 1.183 250 G CA 1.095 46.173 45.100 -0.037 0.000 0.776 250 G HN 0.494 nan 8.290 nan 0.000 0.552 251 M N 0.026 119.573 119.600 -0.089 0.000 2.086 251 M HA 0.007 4.487 4.480 -0.000 0.000 0.261 251 M C 2.537 178.705 176.300 -0.220 0.000 1.067 251 M CA 1.474 56.708 55.300 -0.110 0.000 1.116 251 M CB -0.300 32.249 32.600 -0.084 0.000 1.348 251 M HN 0.226 nan 8.290 nan 0.000 0.407 252 L N -0.015 120.983 121.223 -0.375 0.000 2.017 252 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 252 L C 2.783 179.058 176.870 -0.992 0.000 1.073 252 L CA 1.490 55.844 54.840 -0.809 0.000 0.745 252 L CB -1.441 39.913 42.059 -1.174 0.000 0.894 252 L HN 0.520 nan 8.230 nan 0.000 0.432 253 G N -0.481 107.900 108.800 -0.697 0.000 2.402 253 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.216 253 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.216 253 G C 1.587 176.397 174.900 -0.151 0.000 1.162 253 G CA 0.648 45.549 45.100 -0.332 0.000 0.777 253 G HN 0.488 nan 8.290 nan 0.000 0.539 254 G N 0.454 109.212 108.800 -0.071 0.000 2.470 254 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.220 254 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.220 254 G C 1.975 176.925 174.900 0.082 0.000 1.121 254 G CA 1.336 46.506 45.100 0.116 0.000 0.766 254 G HN 0.428 nan 8.290 nan 0.000 0.553 255 S N 0.339 116.022 115.700 -0.028 0.000 2.436 255 S HA 0.017 4.487 4.470 -0.000 0.000 0.228 255 S C 2.404 177.057 174.600 0.089 0.000 1.014 255 S CA 0.564 58.770 58.200 0.009 0.000 0.950 255 S CB -0.106 63.062 63.200 -0.054 0.000 0.784 255 S HN 0.157 nan 8.310 nan 0.000 0.504 256 M N 1.799 121.449 119.600 0.083 0.000 2.082 256 M HA -0.073 4.407 4.480 -0.000 0.000 0.258 256 M C -0.715 175.755 176.300 0.284 0.000 1.071 256 M CA 1.429 56.857 55.300 0.214 0.000 1.103 256 M CB -2.755 29.958 32.600 0.187 0.000 1.307 256 M HN 0.155 nan 8.290 nan 0.000 0.409 257 P HA -0.123 nan 4.420 nan 0.000 0.218 257 P C 1.948 179.403 177.300 0.258 0.000 1.149 257 P CA 1.349 64.605 63.100 0.259 0.000 0.817 257 P CB -0.211 31.640 31.700 0.252 0.000 0.785 258 L N -0.950 120.394 121.223 0.202 0.000 2.027 258 L HA -0.119 4.221 4.340 -0.000 0.000 0.206 258 L C 2.899 179.850 176.870 0.135 0.000 1.074 258 L CA 1.316 56.240 54.840 0.140 0.000 0.745 258 L CB -1.080 41.030 42.059 0.086 0.000 0.898 258 L HN -0.088 nan 8.230 nan 0.000 0.433 259 L N -0.949 120.385 121.223 0.185 0.000 2.141 259 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 259 L C 2.659 179.613 176.870 0.141 0.000 1.094 259 L CA 0.911 55.863 54.840 0.186 0.000 0.763 259 L CB -0.575 41.674 42.059 0.316 0.000 0.908 259 L HN 0.340 nan 8.230 nan 0.000 0.437 260 H N 0.557 119.692 119.070 0.109 0.000 2.326 260 H HA -0.118 4.438 4.556 -0.000 0.000 0.301 260 H C 2.370 177.695 175.328 -0.003 0.000 1.081 260 H CA 1.694 57.751 56.048 0.015 0.000 1.334 260 H CB 0.135 29.961 29.762 0.107 0.000 1.385 260 H HN 0.057 nan 8.280 nan 0.000 0.504 261 R N -0.498 120.003 120.500 0.002 0.000 2.148 261 R HA 0.055 4.395 4.340 -0.000 0.000 0.227 261 R C 0.374 176.627 176.300 -0.077 0.000 1.103 261 R CA 0.761 56.828 56.100 -0.055 0.000 0.983 261 R CB 0.284 30.621 30.300 0.062 0.000 0.874 261 R HN 0.095 nan 8.270 nan 0.000 0.451 262 R N 0.190 120.660 120.500 -0.050 0.000 3.057 262 R HA 0.187 4.527 4.340 -0.000 0.000 0.291 262 R C -2.248 174.016 176.300 -0.059 0.000 1.394 262 R CA -1.893 54.179 56.100 -0.046 0.000 1.630 262 R CB 0.888 31.178 30.300 -0.016 0.000 1.268 262 R HN 0.034 nan 8.270 nan 0.000 0.621 263 P HA -0.232 nan 4.420 nan 0.000 0.217 263 P C 1.012 178.276 177.300 -0.060 0.000 1.151 263 P CA 1.440 64.477 63.100 -0.105 0.000 0.849 263 P CB 0.254 31.876 31.700 -0.129 0.000 0.787 264 D N -1.077 119.296 120.400 -0.046 0.000 2.144 264 D HA -0.217 4.423 4.640 -0.000 0.000 0.199 264 D C 1.626 177.916 176.300 -0.016 0.000 0.984 264 D CA 1.213 55.196 54.000 -0.028 0.000 0.834 264 D CB -0.750 40.035 40.800 -0.024 0.000 0.955 264 D HN 0.163 nan 8.370 nan 0.000 0.465 265 Q N 0.798 120.591 119.800 -0.013 0.000 2.020 265 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 265 Q C 2.440 178.448 176.000 0.014 0.000 0.982 265 Q CA 1.137 56.941 55.803 0.001 0.000 0.838 265 Q CB -0.587 28.154 28.738 0.005 0.000 0.899 265 Q HN 0.455 nan 8.270 nan 0.000 0.423 266 R N 0.605 121.115 120.500 0.016 0.000 2.103 266 R HA -0.211 4.129 4.340 -0.000 0.000 0.242 266 R C 2.238 178.556 176.300 0.030 0.000 1.142 266 R CA 1.793 57.917 56.100 0.040 0.000 0.960 266 R CB -0.097 30.216 30.300 0.022 0.000 0.858 266 R HN -0.023 nan 8.270 nan 0.000 0.439 267 R N 0.713 121.217 120.500 0.006 0.000 2.103 267 R HA -0.133 4.207 4.340 -0.000 0.000 0.242 267 R C 2.018 178.327 176.300 0.014 0.000 1.142 267 R CA 1.627 57.731 56.100 0.006 0.000 0.960 267 R CB -0.884 29.412 30.300 -0.007 0.000 0.858 267 R HN 0.285 nan 8.270 nan 0.000 0.439 268 L N 0.171 121.401 121.223 0.013 0.000 2.079 268 L HA -0.116 4.223 4.340 -0.000 0.000 0.210 268 L C 2.236 179.119 176.870 0.023 0.000 1.081 268 L CA 1.582 56.431 54.840 0.015 0.000 0.752 268 L CB -0.617 41.449 42.059 0.012 0.000 0.896 268 L HN 0.221 nan 8.230 nan 0.000 0.433 269 L N -1.948 119.295 121.223 0.033 0.000 2.240 269 L HA -0.129 4.211 4.340 -0.000 0.000 0.211 269 L C 2.309 179.207 176.870 0.046 0.000 1.106 269 L CA 0.502 55.367 54.840 0.042 0.000 0.793 269 L CB -0.325 41.768 42.059 0.057 0.000 0.927 269 L HN 0.244 nan 8.230 nan 0.000 0.446 270 L N -0.427 120.824 121.223 0.046 0.000 2.044 270 L HA -0.163 4.177 4.340 -0.000 0.000 0.205 270 L C 2.179 179.069 176.870 0.033 0.000 1.075 270 L CA 1.042 55.910 54.840 0.047 0.000 0.747 270 L CB -0.493 41.593 42.059 0.045 0.000 0.903 270 L HN 0.252 nan 8.230 nan 0.000 0.435 271 D N -0.669 119.746 120.400 0.025 0.000 2.144 271 D HA -0.122 4.518 4.640 -0.000 0.000 0.200 271 D C 0.524 176.836 176.300 0.020 0.000 0.978 271 D CA 1.213 55.225 54.000 0.020 0.000 0.833 271 D CB -0.084 40.725 40.800 0.014 0.000 0.961 271 D HN 0.169 nan 8.370 nan 0.000 0.470 272 D N -0.561 119.853 120.400 0.022 0.000 2.346 272 D HA 0.126 4.766 4.640 -0.000 0.000 0.255 272 D C -2.121 174.195 176.300 0.026 0.000 1.276 272 D CA -1.894 52.119 54.000 0.022 0.000 0.941 272 D CB 1.604 42.414 40.800 0.018 0.000 1.199 272 D HN -0.125 nan 8.370 nan 0.000 0.537 273 P HA -0.024 nan 4.420 nan 0.000 0.242 273 P C 0.785 178.102 177.300 0.030 0.000 1.197 273 P CA 0.358 63.478 63.100 0.033 0.000 0.765 273 P CB 0.489 32.210 31.700 0.034 0.000 0.936 274 E N 0.039 120.254 120.200 0.026 0.000 2.427 274 E HA 0.031 4.381 4.350 -0.000 0.000 0.196 274 E C 1.772 178.386 176.600 0.025 0.000 1.028 274 E CA 0.306 56.720 56.400 0.024 0.000 0.864 274 E CB -0.350 29.362 29.700 0.021 0.000 0.813 274 E HN 0.245 nan 8.360 nan 0.000 0.514 275 G N 0.062 108.877 108.800 0.025 0.000 3.337 275 G HA2 0.050 4.010 3.960 -0.000 0.000 0.246 275 G HA3 0.050 4.010 3.960 -0.000 0.000 0.246 275 G C 1.133 176.049 174.900 0.028 0.000 1.131 275 G CA -0.304 44.811 45.100 0.024 0.000 0.773 275 G HN 0.131 nan 8.290 nan 0.000 0.544 276 I N 0.842 121.431 120.570 0.032 0.000 2.439 276 I HA -0.041 4.129 4.170 -0.000 0.000 0.251 276 I C -0.345 175.793 176.117 0.035 0.000 1.139 276 I CA 0.580 61.901 61.300 0.035 0.000 1.438 276 I CB -0.408 37.616 38.000 0.040 0.000 1.085 276 I HN 0.061 nan 8.210 nan 0.000 0.427 277 P HA -0.135 nan 4.420 nan 0.000 0.216 277 P C 1.003 178.326 177.300 0.037 0.000 1.153 277 P CA 1.376 64.500 63.100 0.039 0.000 0.848 277 P CB -0.000 31.723 31.700 0.039 0.000 0.787 278 D N -0.835 119.584 120.400 0.031 0.000 2.178 278 D HA -0.086 4.554 4.640 -0.000 0.000 0.202 278 D C 1.909 178.219 176.300 0.017 0.000 0.974 278 D CA 1.262 55.277 54.000 0.025 0.000 0.841 278 D CB -0.555 40.257 40.800 0.021 0.000 0.953 278 D HN 0.077 nan 8.370 nan 0.000 0.478 279 A N 0.564 123.395 122.820 0.019 0.000 1.968 279 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 279 A C 2.480 180.070 177.584 0.010 0.000 1.169 279 A CA 0.684 52.728 52.037 0.012 0.000 0.638 279 A CB -0.536 18.477 19.000 0.022 0.000 0.812 279 A HN 0.124 nan 8.150 nan 0.000 0.446 280 V N 0.431 120.359 119.914 0.022 0.000 2.392 280 V HA -0.231 3.889 4.120 -0.000 0.000 0.249 280 V C 2.572 178.679 176.094 0.021 0.000 1.059 280 V CA 2.168 64.484 62.300 0.027 0.000 1.051 280 V CB -0.657 31.194 31.823 0.047 0.000 0.658 280 V HN 0.508 nan 8.190 nan 0.000 0.455 281 E N -0.035 120.180 120.200 0.025 0.000 2.051 281 E HA -0.235 4.115 4.350 -0.000 0.000 0.192 281 E C 2.191 178.768 176.600 -0.039 0.000 0.991 281 E CA 1.492 57.902 56.400 0.017 0.000 0.799 281 E CB -0.292 29.426 29.700 0.029 0.000 0.748 281 E HN 0.700 nan 8.360 nan 0.000 0.449 282 E N 1.067 121.237 120.200 -0.049 0.000 2.058 282 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 282 E C 2.210 178.752 176.600 -0.096 0.000 0.997 282 E CA 0.872 57.217 56.400 -0.091 0.000 0.801 282 E CB -0.353 29.305 29.700 -0.070 0.000 0.746 282 E HN 0.168 nan 8.360 nan 0.000 0.450 283 L N -0.027 121.160 121.223 -0.060 0.000 2.083 283 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 283 L C 2.525 179.347 176.870 -0.081 0.000 1.083 283 L CA 0.938 55.742 54.840 -0.059 0.000 0.752 283 L CB -0.354 41.686 42.059 -0.032 0.000 0.899 283 L HN 0.281 nan 8.230 nan 0.000 0.433 284 L N -0.612 120.563 121.223 -0.080 0.000 2.056 284 L HA -0.226 4.114 4.340 -0.000 0.000 0.207 284 L C 2.824 179.600 176.870 -0.155 0.000 1.078 284 L CA 1.118 55.885 54.840 -0.122 0.000 0.749 284 L CB -0.444 41.546 42.059 -0.115 0.000 0.901 284 L HN 0.279 nan 8.230 nan 0.000 0.433 285 R N 0.482 120.891 120.500 -0.152 0.000 2.081 285 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 285 R C 2.173 178.362 176.300 -0.186 0.000 1.131 285 R CA 1.415 57.405 56.100 -0.182 0.000 0.960 285 R CB -0.124 30.009 30.300 -0.279 0.000 0.856 285 R HN 0.322 nan 8.270 nan 0.000 0.436 286 L N -0.053 121.052 121.223 -0.196 0.000 2.341 286 L HA -0.015 4.324 4.340 -0.000 0.000 0.214 286 L C 2.325 179.064 176.870 -0.218 0.000 1.115 286 L CA 1.240 55.926 54.840 -0.257 0.000 0.820 286 L CB 0.013 41.925 42.059 -0.244 0.000 0.944 286 L HN 0.404 nan 8.230 nan 0.000 0.452 287 T N -5.443 109.046 114.554 -0.108 0.000 2.983 287 T HA 0.008 4.358 4.350 -0.000 0.000 0.250 287 T C 1.101 175.807 174.700 0.011 0.000 1.037 287 T CA 0.418 62.505 62.100 -0.021 0.000 1.142 287 T CB -0.138 68.715 68.868 -0.026 0.000 0.876 287 T HN 0.105 nan 8.240 nan 0.000 0.455 288 S N 2.970 118.645 115.700 -0.043 0.000 3.280 288 S HA -0.084 4.386 4.470 -0.000 0.000 0.349 288 S C -1.439 173.165 174.600 0.007 0.000 0.936 288 S CA 0.420 58.607 58.200 -0.021 0.000 1.301 288 S CB -1.344 61.910 63.200 0.090 0.000 0.907 288 S HN 0.464 nan 8.310 nan 0.000 0.516 289 P HA -0.147 nan 4.420 nan 0.000 0.219 289 P C 0.519 177.815 177.300 -0.007 0.000 1.153 289 P CA 1.066 64.140 63.100 -0.042 0.000 0.865 289 P CB 0.110 31.786 31.700 -0.041 0.000 0.788 290 V N 1.375 121.314 119.914 0.042 0.000 2.221 290 V HA 0.046 4.166 4.120 -0.000 0.000 0.258 290 V C 1.473 177.714 176.094 0.246 0.000 1.179 290 V CA 0.072 62.459 62.300 0.144 0.000 1.022 290 V CB 0.285 32.193 31.823 0.141 0.000 1.228 290 V HN 0.077 nan 8.190 nan 0.000 0.487 291 Q N 2.468 122.412 119.800 0.241 0.000 2.181 291 Q HA -0.009 4.331 4.340 -0.000 0.000 0.205 291 Q C 1.050 177.234 176.000 0.307 0.000 0.980 291 Q CA 1.256 57.258 55.803 0.332 0.000 0.862 291 Q CB 0.320 29.335 28.738 0.462 0.000 0.905 291 Q HN 0.854 nan 8.270 nan 0.000 0.429 292 G N -1.136 107.851 108.800 0.313 0.000 2.579 292 G HA2 0.565 4.525 3.960 -0.000 0.000 0.292 292 G HA3 0.565 4.525 3.960 -0.000 0.000 0.292 292 G C -1.862 173.184 174.900 0.243 0.000 1.484 292 G CA -0.708 44.490 45.100 0.163 0.000 0.813 292 G HN 0.040 nan 8.290 nan 0.000 0.515 293 L N 0.233 121.464 121.223 0.013 0.000 2.549 293 L HA 0.678 5.018 4.340 -0.000 0.000 0.259 293 L C 0.447 177.259 176.870 -0.096 0.000 0.934 293 L CA -0.974 53.859 54.840 -0.012 0.000 0.865 293 L CB 2.162 44.248 42.059 0.046 0.000 1.352 293 L HN 0.940 nan 8.230 nan 0.000 0.410 294 A N 3.198 125.952 122.820 -0.109 0.000 2.272 294 A HA 0.900 5.220 4.320 -0.000 0.000 0.275 294 A C -0.412 177.127 177.584 -0.075 0.000 1.096 294 A CA -0.326 51.657 52.037 -0.091 0.000 0.822 294 A CB 0.819 19.741 19.000 -0.130 0.000 1.088 294 A HN 0.683 nan 8.150 nan 0.000 0.495 295 R N -1.201 119.294 120.500 -0.008 0.000 2.831 295 R HA 0.649 4.989 4.340 -0.000 0.000 0.266 295 R C -1.579 174.771 176.300 0.083 0.000 1.051 295 R CA -0.524 55.611 56.100 0.058 0.000 0.943 295 R CB 1.625 32.032 30.300 0.178 0.000 1.228 295 R HN 0.677 nan 8.270 nan 0.000 0.467 296 T N 1.429 116.032 114.554 0.082 0.000 2.930 296 T HA 0.181 4.531 4.350 -0.000 0.000 0.313 296 T C -0.510 174.192 174.700 0.004 0.000 1.019 296 T CA -0.577 61.556 62.100 0.056 0.000 1.004 296 T CB 1.166 70.048 68.868 0.022 0.000 0.987 296 T HN 0.661 nan 8.240 nan 0.000 0.456 297 T N 0.961 115.492 114.554 -0.039 0.000 2.849 297 T HA 0.006 4.356 4.350 -0.000 0.000 0.289 297 T C 1.471 176.077 174.700 -0.156 0.000 1.010 297 T CA 0.102 62.058 62.100 -0.241 0.000 1.161 297 T CB 0.281 69.029 68.868 -0.200 0.000 0.989 297 T HN 0.671 nan 8.240 nan 0.000 0.523 298 T N -0.071 114.363 114.554 -0.199 0.000 3.086 298 T HA 0.254 4.604 4.350 -0.000 0.000 0.250 298 T C 0.502 175.136 174.700 -0.111 0.000 1.074 298 T CA -0.598 61.434 62.100 -0.114 0.000 0.988 298 T CB -0.317 68.495 68.868 -0.094 0.000 0.988 298 T HN 1.038 nan 8.240 nan 0.000 0.530 299 R N -1.089 119.322 120.500 -0.148 0.000 2.741 299 R HA 0.437 4.777 4.340 -0.000 0.000 0.276 299 R C -2.207 174.013 176.300 -0.134 0.000 1.028 299 R CA -1.037 54.992 56.100 -0.118 0.000 0.865 299 R CB 0.130 30.361 30.300 -0.115 0.000 1.268 299 R HN -0.133 nan 8.270 nan 0.000 0.475 300 D N 1.077 121.418 120.400 -0.098 0.000 2.390 300 D HA 0.274 4.914 4.640 -0.000 0.000 0.249 300 D C -0.730 175.500 176.300 -0.117 0.000 1.144 300 D CA 0.034 53.976 54.000 -0.097 0.000 0.880 300 D CB 1.980 42.740 40.800 -0.068 0.000 1.182 300 D HN 0.260 nan 8.370 nan 0.000 0.451 301 V N 2.221 122.053 119.914 -0.137 0.000 2.789 301 V HA 0.417 4.537 4.120 -0.000 0.000 0.311 301 V C -0.711 175.333 176.094 -0.085 0.000 1.073 301 V CA -0.325 61.905 62.300 -0.116 0.000 0.921 301 V CB 2.438 34.155 31.823 -0.177 0.000 1.009 301 V HN 0.550 nan 8.190 nan 0.000 0.426 302 T N 7.628 122.154 114.554 -0.047 0.000 2.779 302 T HA 0.634 4.984 4.350 -0.000 0.000 0.280 302 T C -0.491 174.201 174.700 -0.014 0.000 0.987 302 T CA -0.063 62.009 62.100 -0.047 0.000 0.966 302 T CB 0.900 69.744 68.868 -0.040 0.000 0.933 302 T HN 0.512 nan 8.240 nan 0.000 0.442 303 I N 3.243 123.796 120.570 -0.029 0.000 2.448 303 I HA 0.503 4.673 4.170 -0.000 0.000 0.281 303 I C 1.027 177.135 176.117 -0.016 0.000 1.027 303 I CA -0.314 60.983 61.300 -0.006 0.000 1.111 303 I CB 0.951 38.950 38.000 -0.002 0.000 1.236 303 I HN 0.933 nan 8.210 nan 0.000 0.452 304 G N 5.566 114.363 108.800 -0.004 0.000 2.550 304 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.277 304 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.277 304 G C 0.476 175.372 174.900 -0.008 0.000 1.190 304 G CA 0.430 45.529 45.100 -0.001 0.000 0.971 304 G HN 0.547 nan 8.290 nan 0.000 0.559 305 D N 1.040 121.438 120.400 -0.004 0.000 2.183 305 D HA 0.083 4.723 4.640 -0.000 0.000 0.203 305 D C 1.672 177.958 176.300 -0.023 0.000 0.969 305 D CA 1.598 55.595 54.000 -0.006 0.000 0.842 305 D CB -0.476 40.328 40.800 0.006 0.000 0.957 305 D HN 0.513 nan 8.370 nan 0.000 0.484 306 T N 0.510 115.042 114.554 -0.037 0.000 2.907 306 T HA 0.316 4.666 4.350 -0.000 0.000 0.298 306 T C 0.269 174.890 174.700 -0.131 0.000 1.017 306 T CA -0.012 62.038 62.100 -0.083 0.000 1.118 306 T CB 1.449 70.258 68.868 -0.099 0.000 0.948 306 T HN -0.182 nan 8.240 nan 0.000 0.531 307 T N 3.091 117.542 114.554 -0.171 0.000 2.847 307 T HA 0.480 4.830 4.350 -0.000 0.000 0.291 307 T C -0.018 174.504 174.700 -0.297 0.000 0.998 307 T CA -0.498 61.495 62.100 -0.178 0.000 0.967 307 T CB 0.405 69.210 68.868 -0.105 0.000 0.954 307 T HN 0.426 nan 8.240 nan 0.000 0.441 308 I N 5.660 126.015 120.570 -0.358 0.000 2.315 308 I HA 0.311 4.481 4.170 -0.000 0.000 0.291 308 I C -2.182 173.835 176.117 -0.168 0.000 1.006 308 I CA -2.554 58.475 61.300 -0.452 0.000 1.265 308 I CB 1.532 39.222 38.000 -0.517 0.000 1.387 308 I HN 0.296 nan 8.210 nan 0.000 0.475 309 P HA 0.066 nan 4.420 nan 0.000 0.269 309 P C -0.478 176.818 177.300 -0.006 0.000 1.215 309 P CA -0.297 62.797 63.100 -0.009 0.000 0.780 309 P CB 0.579 32.305 31.700 0.044 0.000 0.898 310 A N 2.260 125.064 122.820 -0.026 0.000 2.498 310 A HA 0.427 4.747 4.320 -0.000 0.000 0.239 310 A C 1.295 178.886 177.584 0.013 0.000 1.068 310 A CA 0.633 52.650 52.037 -0.034 0.000 0.766 310 A CB -1.368 17.608 19.000 -0.040 0.000 1.003 310 A HN 0.891 nan 8.150 nan 0.000 0.497 311 G N 0.596 109.409 108.800 0.021 0.000 2.225 311 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.264 311 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.264 311 G C -0.014 174.988 174.900 0.171 0.000 1.060 311 G CA 0.534 45.678 45.100 0.074 0.000 0.833 311 G HN 0.884 nan 8.290 nan 0.000 0.498 312 R N -0.284 120.331 120.500 0.193 0.000 2.534 312 R HA 0.612 4.952 4.340 -0.000 0.000 0.301 312 R C 0.437 176.914 176.300 0.295 0.000 0.961 312 R CA -1.093 55.210 56.100 0.338 0.000 0.871 312 R CB 0.669 31.187 30.300 0.364 0.000 1.170 312 R HN 0.188 nan 8.270 nan 0.000 0.446 313 R N 1.881 122.542 120.500 0.268 0.000 2.537 313 R HA 0.262 4.602 4.340 -0.000 0.000 0.280 313 R C -0.642 175.797 176.300 0.232 0.000 1.058 313 R CA -0.179 55.949 56.100 0.046 0.000 1.057 313 R CB 0.649 30.743 30.300 -0.344 0.000 0.973 313 R HN 0.295 nan 8.270 nan 0.000 0.438 314 V N 5.102 125.131 119.914 0.192 0.000 2.419 314 V HA 0.137 4.257 4.120 -0.000 0.000 0.287 314 V C -0.371 175.785 176.094 0.102 0.000 1.017 314 V CA -0.977 61.467 62.300 0.239 0.000 0.844 314 V CB 1.610 33.613 31.823 0.299 0.000 1.011 314 V HN 0.480 nan 8.190 nan 0.000 0.429 315 L N 6.707 127.993 121.223 0.106 0.000 2.456 315 L HA 0.360 4.700 4.340 -0.000 0.000 0.277 315 L C -0.156 176.659 176.870 -0.092 0.000 1.124 315 L CA 0.481 55.335 54.840 0.024 0.000 0.880 315 L CB 0.259 42.379 42.059 0.103 0.000 1.192 315 L HN 0.512 nan 8.230 nan 0.000 0.463 316 L N 6.689 127.781 121.223 -0.217 0.000 2.283 316 L HA 0.168 4.508 4.340 -0.000 0.000 0.287 316 L C -0.184 176.385 176.870 -0.502 0.000 1.073 316 L CA -0.601 53.997 54.840 -0.404 0.000 0.822 316 L CB 0.571 42.270 42.059 -0.600 0.000 1.186 316 L HN 0.501 nan 8.230 nan 0.000 0.436 317 L N 5.075 126.104 121.223 -0.324 0.000 2.399 317 L HA 0.126 4.466 4.340 -0.000 0.000 0.257 317 L C 0.748 177.529 176.870 -0.148 0.000 1.236 317 L CA 0.233 54.922 54.840 -0.251 0.000 1.144 317 L CB -0.397 41.474 42.059 -0.313 0.000 1.379 317 L HN 0.380 nan 8.230 nan 0.000 0.414 318 Y N 1.041 121.347 120.300 0.010 0.000 2.114 318 Y HA -0.236 4.314 4.550 -0.000 0.000 0.282 318 Y C 2.290 178.229 175.900 0.066 0.000 1.165 318 Y CA 1.416 59.536 58.100 0.033 0.000 1.148 318 Y CB -1.119 37.363 38.460 0.037 0.000 0.972 318 Y HN 0.547 nan 8.280 nan 0.000 0.504 319 G N -1.454 107.507 108.800 0.268 0.000 2.469 319 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.220 319 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.220 319 G C 2.035 177.132 174.900 0.328 0.000 1.136 319 G CA 1.480 46.785 45.100 0.343 0.000 0.759 319 G HN 0.444 nan 8.290 nan 0.000 0.562 320 S N 0.388 116.095 115.700 0.012 0.000 2.362 320 S HA 0.193 4.663 4.470 -0.000 0.000 0.221 320 S C 2.768 177.450 174.600 0.138 0.000 1.032 320 S CA 1.304 59.509 58.200 0.009 0.000 0.973 320 S CB -0.465 62.481 63.200 -0.423 0.000 0.849 320 S HN 0.557 nan 8.310 nan 0.000 0.465 321 A N 2.113 125.007 122.820 0.122 0.000 1.986 321 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 321 A C 1.904 179.721 177.584 0.389 0.000 1.171 321 A CA 1.868 54.039 52.037 0.224 0.000 0.640 321 A CB -0.813 18.284 19.000 0.161 0.000 0.811 321 A HN 0.599 nan 8.150 nan 0.000 0.451 322 N N -0.608 118.282 118.700 0.316 0.000 2.396 322 N HA -0.037 4.703 4.740 -0.000 0.000 0.180 322 N C 1.323 176.938 175.510 0.174 0.000 1.028 322 N CA 0.794 54.013 53.050 0.282 0.000 0.893 322 N CB -0.172 38.372 38.487 0.095 0.000 0.967 322 N HN 0.531 nan 8.380 nan 0.000 0.440 323 R N 0.056 120.664 120.500 0.180 0.000 2.393 323 R HA 0.109 4.449 4.340 -0.000 0.000 0.244 323 R C -0.404 176.000 176.300 0.174 0.000 0.920 323 R CA -0.282 55.888 56.100 0.117 0.000 1.076 323 R CB 0.313 30.658 30.300 0.075 0.000 1.119 323 R HN -0.001 nan 8.270 nan 0.000 0.524 324 D N 1.161 121.698 120.400 0.229 0.000 2.346 324 D HA -0.032 4.608 4.640 -0.000 0.000 0.260 324 D C 0.485 176.841 176.300 0.093 0.000 1.252 324 D CA 0.259 54.348 54.000 0.149 0.000 0.895 324 D CB 0.999 41.888 40.800 0.149 0.000 1.097 324 D HN -0.011 nan 8.370 nan 0.000 0.489 325 E N 2.533 122.768 120.200 0.057 0.000 2.160 325 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 325 E C 1.681 178.255 176.600 -0.043 0.000 0.991 325 E CA 0.988 57.401 56.400 0.022 0.000 0.810 325 E CB 0.081 29.790 29.700 0.016 0.000 0.742 325 E HN 0.476 nan 8.360 nan 0.000 0.466 326 R N -0.128 120.338 120.500 -0.057 0.000 2.293 326 R HA -0.154 4.186 4.340 -0.000 0.000 0.219 326 R C 1.896 178.071 176.300 -0.209 0.000 1.091 326 R CA 1.186 57.227 56.100 -0.099 0.000 1.004 326 R CB -0.031 30.229 30.300 -0.065 0.000 0.865 326 R HN 0.112 nan 8.270 nan 0.000 0.469 327 Q N -1.127 118.479 119.800 -0.323 0.000 2.477 327 Q HA 0.048 4.388 4.340 -0.000 0.000 0.252 327 Q C 0.354 175.859 176.000 -0.824 0.000 0.869 327 Q CA 0.814 56.192 55.803 -0.708 0.000 0.969 327 Q CB 0.524 28.560 28.738 -1.170 0.000 1.144 327 Q HN 0.364 nan 8.270 nan 0.000 0.577 328 Y N -0.250 119.959 120.300 -0.152 0.000 2.584 328 Y HA 0.576 5.126 4.550 -0.000 0.000 0.254 328 Y C 0.638 176.490 175.900 -0.080 0.000 1.177 328 Y CA -0.060 57.971 58.100 -0.115 0.000 1.216 328 Y CB 1.276 39.678 38.460 -0.096 0.000 1.172 328 Y HN 0.197 nan 8.280 nan 0.000 0.529 329 G N 0.696 109.497 108.800 0.000 0.000 2.756 329 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.678 329 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.678 329 G C -2.166 172.744 174.900 0.015 0.000 1.349 329 G CA -0.783 44.317 45.100 0.000 0.000 0.847 329 G HN 0.053 nan 8.290 nan 0.000 0.548 330 P HA -0.092 nan 4.420 nan 0.000 0.215 330 P C 1.510 178.817 177.300 0.011 0.000 1.163 330 P CA 2.093 65.198 63.100 0.007 0.000 0.894 330 P CB -0.085 31.616 31.700 0.003 0.000 0.791 331 D N -0.723 119.682 120.400 0.009 0.000 2.378 331 D HA -0.024 4.616 4.640 -0.000 0.000 0.227 331 D C 1.539 177.837 176.300 -0.003 0.000 1.012 331 D CA 0.755 54.755 54.000 0.001 0.000 0.905 331 D CB -0.933 39.864 40.800 -0.004 0.000 0.895 331 D HN 0.096 nan 8.370 nan 0.000 0.532 332 A N 1.123 123.957 122.820 0.023 0.000 2.054 332 A HA -0.151 4.169 4.320 -0.000 0.000 0.223 332 A C 2.369 179.934 177.584 -0.032 0.000 1.169 332 A CA 2.138 54.197 52.037 0.037 0.000 0.655 332 A CB -0.849 18.222 19.000 0.118 0.000 0.812 332 A HN 0.443 nan 8.150 nan 0.000 0.462 333 A N -0.537 122.265 122.820 -0.031 0.000 2.206 333 A HA 0.204 4.524 4.320 -0.000 0.000 0.211 333 A C 0.789 178.304 177.584 -0.115 0.000 1.158 333 A CA 0.876 52.869 52.037 -0.074 0.000 0.761 333 A CB -0.315 18.669 19.000 -0.026 0.000 0.801 333 A HN 0.807 nan 8.150 nan 0.000 0.473 334 E N -1.405 118.743 120.200 -0.087 0.000 2.392 334 E HA 0.566 4.916 4.350 -0.000 0.000 0.269 334 E C -1.060 175.490 176.600 -0.083 0.000 0.924 334 E CA -1.252 55.098 56.400 -0.082 0.000 0.784 334 E CB 0.819 30.493 29.700 -0.044 0.000 1.292 334 E HN -0.029 nan 8.360 nan 0.000 0.447 335 L N 2.090 123.272 121.223 -0.069 0.000 2.477 335 L HA 0.197 4.537 4.340 -0.000 0.000 0.272 335 L C -0.809 176.036 176.870 -0.041 0.000 1.157 335 L CA 0.899 55.705 54.840 -0.057 0.000 0.889 335 L CB 0.013 42.051 42.059 -0.035 0.000 1.158 335 L HN 0.690 nan 8.230 nan 0.000 0.473 336 D N 3.181 123.555 120.400 -0.045 0.000 2.621 336 D HA 0.075 4.714 4.640 -0.000 0.000 0.274 336 D C 1.031 177.315 176.300 -0.027 0.000 1.215 336 D CA 0.065 54.047 54.000 -0.030 0.000 0.810 336 D CB 0.547 41.331 40.800 -0.028 0.000 1.248 336 D HN 0.309 nan 8.370 nan 0.000 0.517 337 V N 1.140 121.044 119.914 -0.017 0.000 2.736 337 V HA -0.238 3.882 4.120 -0.000 0.000 0.262 337 V C 1.804 177.895 176.094 -0.005 0.000 1.114 337 V CA 2.487 64.781 62.300 -0.009 0.000 1.133 337 V CB -1.612 30.214 31.823 0.006 0.000 0.703 337 V HN 0.591 nan 8.190 nan 0.000 0.495 338 T N -1.967 112.584 114.554 -0.005 0.000 3.065 338 T HA 0.016 4.366 4.350 -0.000 0.000 0.252 338 T C 1.901 176.601 174.700 -0.002 0.000 1.099 338 T CA 0.736 62.836 62.100 -0.000 0.000 1.063 338 T CB -0.368 68.501 68.868 0.001 0.000 0.948 338 T HN 0.599 nan 8.240 nan 0.000 0.506 339 R N 0.400 120.894 120.500 -0.010 0.000 2.096 339 R HA -0.096 4.244 4.340 -0.000 0.000 0.240 339 R C 0.611 176.913 176.300 0.003 0.000 1.139 339 R CA 1.582 57.677 56.100 -0.008 0.000 0.952 339 R CB -1.015 29.266 30.300 -0.031 0.000 0.854 339 R HN 0.515 nan 8.270 nan 0.000 0.436 340 C N 0.618 119.916 119.300 -0.003 0.000 4.354 340 C HA -0.057 4.403 4.460 -0.000 0.000 0.307 340 C C -2.186 172.820 174.990 0.026 0.000 1.318 340 C CA -0.549 58.477 59.018 0.013 0.000 2.060 340 C CB -2.051 25.701 27.740 0.021 0.000 1.283 340 C HN 0.520 nan 8.230 nan 0.000 0.723 341 P HA 0.155 nan 4.420 nan 0.000 0.264 341 P C 0.184 177.556 177.300 0.120 0.000 1.183 341 P CA 0.896 64.020 63.100 0.039 0.000 0.763 341 P CB 0.558 32.122 31.700 -0.225 0.000 0.807 342 R N 2.963 123.591 120.500 0.212 0.000 2.664 342 R HA 0.220 4.560 4.340 -0.000 0.000 0.286 342 R C 0.431 176.834 176.300 0.171 0.000 0.967 342 R CA -0.607 55.576 56.100 0.139 0.000 0.933 342 R CB 0.639 30.967 30.300 0.047 0.000 1.146 342 R HN 0.554 nan 8.270 nan 0.000 0.468 343 N N 1.052 119.847 118.700 0.157 0.000 2.758 343 N HA -0.202 4.538 4.740 -0.000 0.000 0.248 343 N C 0.277 176.070 175.510 0.471 0.000 1.076 343 N CA 0.977 54.146 53.050 0.198 0.000 0.696 343 N CB -1.529 36.763 38.487 -0.325 0.000 0.979 343 N HN 0.614 nan 8.380 nan 0.000 0.550 344 I N -3.100 117.712 120.570 0.404 0.000 3.004 344 I HA 0.172 4.342 4.170 -0.000 0.000 0.287 344 I C 1.159 177.488 176.117 0.353 0.000 1.144 344 I CA -0.327 61.192 61.300 0.364 0.000 1.353 344 I CB 0.442 38.524 38.000 0.135 0.000 1.417 344 I HN 0.006 nan 8.210 nan 0.000 0.602 345 L N 2.759 124.124 121.223 0.236 0.000 2.965 345 L HA 0.168 4.508 4.340 -0.000 0.000 0.254 345 L C 1.505 178.267 176.870 -0.179 0.000 1.220 345 L CA -0.006 54.886 54.840 0.085 0.000 1.023 345 L CB 0.024 42.199 42.059 0.193 0.000 1.355 345 L HN 0.821 nan 8.230 nan 0.000 0.545 346 T N -0.047 114.377 114.554 -0.216 0.000 2.881 346 T HA -0.089 4.261 4.350 -0.000 0.000 0.270 346 T C 0.772 175.055 174.700 -0.695 0.000 1.068 346 T CA 1.559 63.363 62.100 -0.494 0.000 1.131 346 T CB -0.177 68.260 68.868 -0.718 0.000 0.871 346 T HN 0.172 nan 8.240 nan 0.000 0.479 347 F N 1.081 120.944 119.950 -0.144 0.000 2.791 347 F HA 0.557 5.084 4.527 -0.000 0.000 0.308 347 F C 0.983 176.645 175.800 -0.231 0.000 1.138 347 F CA -0.714 57.162 58.000 -0.206 0.000 1.294 347 F CB -0.592 38.294 39.000 -0.189 0.000 0.975 347 F HN 0.003 nan 8.300 nan 0.000 0.512 348 S N 0.397 115.876 115.700 -0.369 0.000 3.460 348 S HA -0.293 4.177 4.470 -0.000 0.000 0.637 348 S C -0.755 173.849 174.600 0.006 0.000 2.505 348 S CA 0.704 58.657 58.200 -0.412 0.000 2.686 348 S CB -0.494 62.538 63.200 -0.281 0.000 0.330 348 S HN 0.737 nan 8.310 nan 0.000 1.795 349 H N -0.247 118.719 119.070 -0.174 0.000 3.008 349 H HA 0.631 5.187 4.556 -0.000 0.000 0.354 349 H C 0.235 175.452 175.328 -0.185 0.000 1.252 349 H CA 1.609 57.472 56.048 -0.307 0.000 1.117 349 H CB 1.099 30.324 29.762 -0.895 0.000 1.857 349 H HN 1.984 nan 8.280 nan 0.000 0.547 350 G N 0.610 108.912 108.800 -0.830 0.000 2.568 350 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.222 350 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.222 350 G C 0.950 175.715 174.900 -0.225 0.000 1.321 350 G CA 0.331 45.159 45.100 -0.453 0.000 0.893 350 G HN 1.335 nan 8.290 nan 0.000 0.569 351 A N -1.423 121.277 122.820 -0.201 0.000 2.131 351 A HA 0.034 4.354 4.320 -0.000 0.000 0.220 351 A C 1.555 178.907 177.584 -0.386 0.000 1.158 351 A CA 2.391 54.231 52.037 -0.329 0.000 0.665 351 A CB -0.461 18.169 19.000 -0.616 0.000 0.795 351 A HN 0.840 nan 8.150 nan 0.000 0.460 352 H N -2.112 116.919 119.070 -0.064 0.000 2.674 352 H HA 0.081 4.636 4.556 -0.000 0.000 0.274 352 H C 0.073 175.390 175.328 -0.019 0.000 1.121 352 H CA -0.436 55.588 56.048 -0.039 0.000 1.132 352 H CB -0.289 29.419 29.762 -0.090 0.000 1.606 352 H HN 0.700 nan 8.280 nan 0.000 0.558 353 H N 1.283 120.332 119.070 -0.036 0.000 3.140 353 H HA -0.099 4.457 4.556 -0.000 0.000 0.316 353 H C 0.141 175.436 175.328 -0.055 0.000 0.986 353 H CA 0.322 56.339 56.048 -0.052 0.000 1.397 353 H CB 0.694 30.398 29.762 -0.097 0.000 1.377 353 H HN 0.299 nan 8.280 nan 0.000 0.585 354 C N 6.633 125.566 119.300 -0.611 0.000 2.465 354 C HA -0.043 4.417 4.460 -0.000 0.000 0.402 354 C C 2.021 176.627 174.990 -0.639 0.000 1.448 354 C CA -0.325 58.380 59.018 -0.522 0.000 1.589 354 C CB -1.509 26.010 27.740 -0.369 0.000 2.535 354 C HN 0.887 nan 8.230 nan 0.000 0.600 355 L N 4.887 125.780 121.223 -0.549 0.000 2.270 355 L HA 0.164 4.504 4.340 -0.000 0.000 0.210 355 L C 2.334 178.794 176.870 -0.684 0.000 1.104 355 L CA 1.246 55.671 54.840 -0.691 0.000 0.804 355 L CB -0.507 40.877 42.059 -1.125 0.000 0.937 355 L HN 0.948 nan 8.230 nan 0.000 0.450 356 G N -0.824 107.606 108.800 -0.616 0.000 3.496 356 G HA2 0.298 4.258 3.960 -0.000 0.000 0.273 356 G HA3 0.298 4.258 3.960 -0.000 0.000 0.273 356 G C 1.321 175.985 174.900 -0.393 0.000 1.279 356 G CA 0.520 45.409 45.100 -0.352 0.000 1.041 356 G HN 0.304 nan 8.290 nan 0.000 0.539 357 A N 0.966 123.413 122.820 -0.622 0.000 1.873 357 A HA 0.264 4.584 4.320 -0.000 0.000 0.215 357 A C 2.759 180.041 177.584 -0.503 0.000 1.186 357 A CA 1.992 53.372 52.037 -1.095 0.000 0.616 357 A CB -0.622 17.647 19.000 -1.218 0.000 0.823 357 A HN 0.693 nan 8.150 nan 0.000 0.442 358 A N 0.105 122.782 122.820 -0.238 0.000 1.851 358 A HA 0.077 4.397 4.320 -0.000 0.000 0.216 358 A C 2.562 180.145 177.584 -0.001 0.000 1.195 358 A CA 2.585 54.588 52.037 -0.057 0.000 0.622 358 A CB -1.322 17.696 19.000 0.030 0.000 0.831 358 A HN 1.217 nan 8.150 nan 0.000 0.444 359 A N -0.433 122.405 122.820 0.030 0.000 1.948 359 A HA 0.062 4.382 4.320 -0.000 0.000 0.220 359 A C 2.468 180.088 177.584 0.059 0.000 1.177 359 A CA 2.467 54.564 52.037 0.101 0.000 0.636 359 A CB -0.977 18.064 19.000 0.069 0.000 0.815 359 A HN 1.149 nan 8.150 nan 0.000 0.449 360 A N -0.479 122.340 122.820 -0.001 0.000 1.872 360 A HA -0.102 4.218 4.320 -0.000 0.000 0.214 360 A C 2.260 179.905 177.584 0.101 0.000 1.187 360 A CA 1.270 53.347 52.037 0.067 0.000 0.614 360 A CB -0.432 18.651 19.000 0.138 0.000 0.826 360 A HN 0.520 nan 8.150 nan 0.000 0.442 361 R N -1.122 119.431 120.500 0.089 0.000 2.081 361 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 361 R C 2.298 178.645 176.300 0.078 0.000 1.131 361 R CA 1.462 57.625 56.100 0.105 0.000 0.960 361 R CB -0.491 29.865 30.300 0.094 0.000 0.856 361 R HN 0.595 nan 8.270 nan 0.000 0.436 362 M N 1.487 121.129 119.600 0.070 0.000 2.080 362 M HA -0.220 4.260 4.480 -0.000 0.000 0.260 362 M C 1.686 178.028 176.300 0.069 0.000 1.068 362 M CA 1.880 57.221 55.300 0.069 0.000 1.109 362 M CB -0.411 32.235 32.600 0.078 0.000 1.342 362 M HN 0.156 nan 8.290 nan 0.000 0.405 363 Q N -0.803 119.043 119.800 0.076 0.000 2.291 363 Q HA -0.160 4.180 4.340 -0.000 0.000 0.206 363 Q C 2.092 178.132 176.000 0.067 0.000 0.976 363 Q CA 1.666 57.516 55.803 0.078 0.000 0.875 363 Q CB -0.173 28.615 28.738 0.083 0.000 0.927 363 Q HN 0.683 nan 8.270 nan 0.000 0.450 364 C N -0.710 118.622 119.300 0.054 0.000 2.525 364 C HA 0.126 4.586 4.460 -0.000 0.000 0.291 364 C C 2.447 177.461 174.990 0.040 0.000 1.351 364 C CA -0.347 58.690 59.018 0.032 0.000 1.771 364 C CB -0.705 27.047 27.740 0.020 0.000 2.177 364 C HN 0.477 nan 8.230 nan 0.000 0.510 365 R N 1.796 122.325 120.500 0.048 0.000 2.083 365 R HA -0.131 4.209 4.340 -0.000 0.000 0.237 365 R C 1.940 178.266 176.300 0.044 0.000 1.137 365 R CA 2.016 58.144 56.100 0.046 0.000 0.951 365 R CB -0.405 29.925 30.300 0.049 0.000 0.851 365 R HN 0.367 nan 8.270 nan 0.000 0.434 366 V N 1.130 121.073 119.914 0.048 0.000 2.216 366 V HA -0.241 3.879 4.120 -0.000 0.000 0.243 366 V C 2.532 178.652 176.094 0.043 0.000 1.044 366 V CA 2.039 64.367 62.300 0.045 0.000 0.995 366 V CB -1.047 30.808 31.823 0.053 0.000 0.633 366 V HN 0.614 nan 8.190 nan 0.000 0.446 367 A N -0.423 122.432 122.820 0.058 0.000 1.903 367 A HA -0.293 4.027 4.320 -0.000 0.000 0.219 367 A C 2.228 179.843 177.584 0.052 0.000 1.191 367 A CA 2.610 54.689 52.037 0.071 0.000 0.638 367 A CB -0.755 18.331 19.000 0.143 0.000 0.823 367 A HN 0.481 nan 8.150 nan 0.000 0.451 368 L N -0.724 120.527 121.223 0.046 0.000 2.027 368 L HA -0.123 4.217 4.340 -0.000 0.000 0.206 368 L C 2.676 179.570 176.870 0.040 0.000 1.074 368 L CA 2.535 57.398 54.840 0.039 0.000 0.745 368 L CB -0.628 41.453 42.059 0.038 0.000 0.898 368 L HN 0.419 nan 8.230 nan 0.000 0.433 369 T N -0.562 114.015 114.554 0.039 0.000 2.684 369 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 369 T C 1.725 176.444 174.700 0.031 0.000 1.036 369 T CA 1.628 63.751 62.100 0.039 0.000 1.148 369 T CB -0.268 68.621 68.868 0.034 0.000 0.863 369 T HN 0.357 nan 8.240 nan 0.000 0.436 370 E N 0.854 121.064 120.200 0.016 0.000 2.106 370 E HA -0.045 4.305 4.350 -0.000 0.000 0.192 370 E C 2.243 178.838 176.600 -0.009 0.000 0.984 370 E CA 0.538 56.938 56.400 -0.001 0.000 0.806 370 E CB -0.616 29.071 29.700 -0.021 0.000 0.750 370 E HN 0.330 nan 8.360 nan 0.000 0.458 371 L N 0.852 122.059 121.223 -0.026 0.000 1.989 371 L HA -0.159 4.181 4.340 -0.000 0.000 0.211 371 L C 2.315 179.205 176.870 0.032 0.000 1.071 371 L CA 1.549 56.350 54.840 -0.066 0.000 0.749 371 L CB -0.593 41.381 42.059 -0.141 0.000 0.890 371 L HN 0.055 nan 8.230 nan 0.000 0.431 372 L N -0.677 120.596 121.223 0.083 0.000 2.083 372 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 372 L C 2.613 179.553 176.870 0.117 0.000 1.083 372 L CA 1.104 56.037 54.840 0.154 0.000 0.752 372 L CB -0.834 41.308 42.059 0.139 0.000 0.899 372 L HN 0.409 nan 8.230 nan 0.000 0.433 373 A N 0.089 122.953 122.820 0.074 0.000 1.968 373 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 373 A C 2.255 179.872 177.584 0.055 0.000 1.169 373 A CA 1.198 53.269 52.037 0.057 0.000 0.638 373 A CB -0.228 18.794 19.000 0.038 0.000 0.812 373 A HN 0.366 nan 8.150 nan 0.000 0.446 374 R N -2.288 118.244 120.500 0.055 0.000 2.365 374 R HA 0.207 4.547 4.340 -0.000 0.000 0.223 374 R C -0.324 176.027 176.300 0.084 0.000 0.899 374 R CA 0.438 56.568 56.100 0.051 0.000 1.059 374 R CB 0.373 30.687 30.300 0.022 0.000 1.086 374 R HN 0.425 nan 8.270 nan 0.000 0.522 375 C N 1.097 120.478 119.300 0.136 0.000 3.158 375 C HA 0.232 4.692 4.460 -0.000 0.000 0.228 375 C C -1.510 173.677 174.990 0.329 0.000 2.110 375 C CA -1.130 58.020 59.018 0.219 0.000 1.407 375 C CB 0.992 28.910 27.740 0.296 0.000 2.635 375 C HN 0.225 nan 8.230 nan 0.000 0.509 376 P HA -0.196 nan 4.420 nan 0.000 0.218 376 P C 0.073 177.483 177.300 0.183 0.000 1.150 376 P CA 1.926 65.146 63.100 0.200 0.000 0.841 376 P CB 0.243 32.007 31.700 0.107 0.000 0.784 377 D N -0.400 120.093 120.400 0.154 0.000 2.472 377 D HA 0.358 4.998 4.640 -0.000 0.000 0.234 377 D C -0.618 175.743 176.300 0.102 0.000 1.088 377 D CA -1.004 53.025 54.000 0.049 0.000 0.882 377 D CB -0.151 40.656 40.800 0.011 0.000 1.037 377 D HN 0.007 nan 8.370 nan 0.000 0.520 378 F N 0.153 120.120 119.950 0.028 0.000 2.620 378 F HA 0.768 5.295 4.527 -0.000 0.000 0.320 378 F C -0.731 175.087 175.800 0.030 0.000 1.069 378 F CA -1.076 56.889 58.000 -0.059 0.000 0.953 378 F CB 1.444 40.468 39.000 0.040 0.000 1.322 378 F HN 0.030 nan 8.300 nan 0.000 0.479 379 E N 0.902 121.163 120.200 0.102 0.000 2.317 379 E HA 0.644 4.994 4.350 -0.000 0.000 0.270 379 E C -1.730 174.891 176.600 0.035 0.000 0.885 379 E CA -1.237 55.223 56.400 0.100 0.000 0.760 379 E CB 3.229 32.959 29.700 0.050 0.000 1.227 379 E HN 0.522 nan 8.360 nan 0.000 0.434 380 V N 1.219 120.920 119.914 -0.356 0.000 2.540 380 V HA 0.464 4.584 4.120 -0.000 0.000 0.302 380 V C -0.221 175.609 176.094 -0.439 0.000 1.035 380 V CA -0.879 61.257 62.300 -0.274 0.000 0.873 380 V CB 1.598 33.342 31.823 -0.131 0.000 0.992 380 V HN 0.817 nan 8.190 nan 0.000 0.428 381 A N 2.900 125.624 122.820 -0.160 0.000 3.004 381 A HA 0.295 4.615 4.320 -0.000 0.000 0.286 381 A C 1.242 178.798 177.584 -0.047 0.000 1.632 381 A CA -0.212 51.771 52.037 -0.090 0.000 1.339 381 A CB -0.569 18.409 19.000 -0.036 0.000 1.136 381 A HN 0.955 nan 8.150 nan 0.000 0.577 382 E N 1.005 121.183 120.200 -0.036 0.000 2.095 382 E HA -0.303 4.047 4.350 -0.000 0.000 0.212 382 E C 2.198 178.839 176.600 0.068 0.000 1.044 382 E CA 2.234 58.667 56.400 0.055 0.000 0.857 382 E CB -0.185 29.595 29.700 0.133 0.000 0.764 382 E HN 0.920 nan 8.360 nan 0.000 0.462 383 S N 0.518 116.256 115.700 0.064 0.000 2.423 383 S HA -0.195 4.275 4.470 -0.000 0.000 0.238 383 S C 1.605 176.232 174.600 0.045 0.000 1.028 383 S CA 1.274 59.511 58.200 0.062 0.000 1.000 383 S CB -0.314 62.916 63.200 0.051 0.000 0.797 383 S HN 0.221 nan 8.310 nan 0.000 0.487 384 R N 0.150 120.662 120.500 0.020 0.000 2.507 384 R HA 0.471 4.811 4.340 -0.000 0.000 0.298 384 R C -0.365 175.917 176.300 -0.031 0.000 0.999 384 R CA -0.193 55.908 56.100 0.002 0.000 1.082 384 R CB 0.138 30.435 30.300 -0.004 0.000 1.246 384 R HN 0.411 nan 8.270 nan 0.000 0.553 385 I N 1.266 121.805 120.570 -0.051 0.000 2.519 385 I HA 0.099 4.269 4.170 -0.000 0.000 0.287 385 I C -0.035 175.950 176.117 -0.220 0.000 1.047 385 I CA -0.491 60.699 61.300 -0.184 0.000 1.381 385 I CB 1.478 39.311 38.000 -0.278 0.000 1.417 385 I HN -0.206 nan 8.210 nan 0.000 0.540 386 V N 5.434 125.171 119.914 -0.296 0.000 2.378 386 V HA 0.260 4.380 4.120 -0.000 0.000 0.288 386 V C -0.710 175.223 176.094 -0.267 0.000 1.016 386 V CA -0.655 61.541 62.300 -0.174 0.000 0.840 386 V CB 0.968 32.753 31.823 -0.065 0.000 0.994 386 V HN 0.574 nan 8.190 nan 0.000 0.431 387 W N 2.351 123.691 121.300 0.067 0.000 2.303 387 W HA 0.586 5.246 4.660 -0.000 0.000 0.334 387 W C 1.035 177.615 176.519 0.101 0.000 1.197 387 W CA 0.009 57.402 57.345 0.080 0.000 1.262 387 W CB 1.133 30.678 29.460 0.141 0.000 1.153 387 W HN 0.561 nan 8.180 nan 0.000 0.596 388 S N 1.140 117.041 115.700 0.336 0.000 2.632 388 S HA 0.638 5.108 4.470 -0.000 0.000 0.267 388 S C 0.523 175.329 174.600 0.343 0.000 1.276 388 S CA -0.207 58.141 58.200 0.247 0.000 0.998 388 S CB 0.274 63.575 63.200 0.168 0.000 0.953 388 S HN 0.621 nan 8.310 nan 0.000 0.547 389 G N -0.032 108.921 108.800 0.254 0.000 2.563 389 G HA2 0.563 4.523 3.960 -0.000 0.000 0.283 389 G HA3 0.563 4.523 3.960 -0.000 0.000 0.283 389 G C 0.370 175.458 174.900 0.314 0.000 1.309 389 G CA -0.200 45.050 45.100 0.249 0.000 1.022 389 G HN 1.714 nan 8.290 nan 0.000 0.501 390 G N -2.225 106.726 108.800 0.253 0.000 3.233 390 G HA2 0.168 4.128 3.960 -0.000 0.000 0.686 390 G HA3 0.168 4.128 3.960 -0.000 0.000 0.686 390 G C 0.315 175.408 174.900 0.322 0.000 1.153 390 G CA 0.208 45.481 45.100 0.288 0.000 0.853 390 G HN 1.093 nan 8.290 nan 0.000 0.582 391 S N 0.817 116.541 115.700 0.040 0.000 2.548 391 S HA 0.179 4.649 4.470 -0.000 0.000 0.215 391 S C 1.295 175.754 174.600 -0.234 0.000 0.976 391 S CA 1.270 59.292 58.200 -0.296 0.000 0.908 391 S CB 0.015 62.833 63.200 -0.637 0.000 0.781 391 S HN 0.622 nan 8.310 nan 0.000 0.519 392 Y N 0.085 120.598 120.300 0.354 0.000 2.581 392 Y HA 0.390 4.940 4.550 -0.000 0.000 0.271 392 Y C 0.565 176.627 175.900 0.271 0.000 1.100 392 Y CA -0.268 58.010 58.100 0.298 0.000 1.281 392 Y CB 0.426 38.982 38.460 0.159 0.000 1.237 392 Y HN -0.050 nan 8.280 nan 0.000 0.514 393 V N 2.235 122.362 119.914 0.355 0.000 2.409 393 V HA 0.371 4.491 4.120 -0.000 0.000 0.291 393 V C -0.379 175.640 176.094 -0.125 0.000 1.020 393 V CA -0.999 61.372 62.300 0.119 0.000 0.848 393 V CB 1.593 33.487 31.823 0.119 0.000 0.990 393 V HN 0.119 nan 8.190 nan 0.000 0.430 394 R N 5.490 125.693 120.500 -0.494 0.000 2.280 394 R HA 0.618 4.958 4.340 -0.000 0.000 0.326 394 R C -0.505 175.597 176.300 -0.331 0.000 1.080 394 R CA -0.602 54.879 56.100 -1.033 0.000 1.002 394 R CB 0.385 29.663 30.300 -1.703 0.000 1.136 394 R HN 0.856 nan 8.270 nan 0.000 0.509 395 R N 3.266 123.720 120.500 -0.077 0.000 2.725 395 R HA 0.578 4.918 4.340 -0.000 0.000 0.277 395 R C -2.896 173.491 176.300 0.145 0.000 0.987 395 R CA -2.211 53.947 56.100 0.096 0.000 0.901 395 R CB 1.196 31.506 30.300 0.018 0.000 1.207 395 R HN 0.289 nan 8.270 nan 0.000 0.463 396 P HA 0.163 nan 4.420 nan 0.000 0.284 396 P C -0.139 177.060 177.300 -0.168 0.000 1.253 396 P CA -0.558 62.308 63.100 -0.390 0.000 0.800 396 P CB 1.315 32.587 31.700 -0.714 0.000 0.961 397 L N 1.200 122.340 121.223 -0.138 0.000 2.202 397 L HA 0.093 4.433 4.340 -0.000 0.000 0.205 397 L C 1.352 178.179 176.870 -0.073 0.000 1.083 397 L CA 1.120 55.926 54.840 -0.056 0.000 0.790 397 L CB -0.112 41.939 42.059 -0.014 0.000 0.942 397 L HN 0.444 nan 8.230 nan 0.000 0.452 398 S N -0.468 115.153 115.700 -0.131 0.000 2.619 398 S HA 0.552 5.022 4.470 -0.000 0.000 0.280 398 S C -0.974 173.538 174.600 -0.148 0.000 1.150 398 S CA -0.503 57.634 58.200 -0.104 0.000 0.978 398 S CB 1.860 65.018 63.200 -0.070 0.000 1.041 398 S HN -0.162 nan 8.310 nan 0.000 0.485 399 V N 6.921 126.783 119.914 -0.087 0.000 2.454 399 V HA 0.420 4.540 4.120 -0.000 0.000 0.267 399 V C -2.364 173.736 176.094 0.010 0.000 0.993 399 V CA -1.649 60.613 62.300 -0.065 0.000 0.836 399 V CB 1.363 33.164 31.823 -0.036 0.000 1.055 399 V HN 0.780 nan 8.190 nan 0.000 0.452 400 P HA 0.001 nan 4.420 nan 0.000 0.260 400 P C -0.696 176.680 177.300 0.127 0.000 1.185 400 P CA 0.350 63.477 63.100 0.045 0.000 0.763 400 P CB 0.502 32.208 31.700 0.009 0.000 0.776 401 F N 5.077 124.999 119.950 -0.047 0.000 2.432 401 F HA 0.632 5.159 4.527 -0.000 0.000 0.329 401 F C 0.350 176.145 175.800 -0.008 0.000 1.076 401 F CA -1.058 56.925 58.000 -0.030 0.000 1.018 401 F CB 1.605 40.551 39.000 -0.090 0.000 1.201 401 F HN 0.256 nan 8.300 nan 0.000 0.489 402 R N 3.497 123.561 120.500 -0.726 0.000 2.542 402 R HA 0.478 4.818 4.340 -0.000 0.000 0.284 402 R C -2.555 173.360 176.300 -0.642 0.000 1.167 402 R CA -0.594 55.194 56.100 -0.520 0.000 1.000 402 R CB 0.616 30.788 30.300 -0.214 0.000 1.229 402 R HN 0.376 nan 8.270 nan 0.000 0.416 403 V N 4.128 123.729 119.914 -0.522 0.000 2.222 403 V HA 0.803 4.923 4.120 -0.000 0.000 0.253 403 V C 0.600 176.620 176.094 -0.123 0.000 1.210 403 V CA 0.877 63.003 62.300 -0.290 0.000 1.079 403 V CB -0.705 31.018 31.823 -0.166 0.000 1.265 403 V HN 1.204 nan 8.190 nan 0.000 0.494 404 T N 0.696 115.196 114.554 -0.091 0.000 2.649 404 T HA 0.778 5.128 4.350 -0.000 0.000 0.263 404 T C -0.216 174.457 174.700 -0.045 0.000 2.101 404 T CA 0.315 62.383 62.100 -0.052 0.000 0.946 404 T CB 0.205 69.041 68.868 -0.052 0.000 2.250 404 T HN 1.347 nan 8.240 nan 0.000 0.410 405 S N 0.000 115.679 115.700 -0.034 0.000 2.498 405 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 405 S CA 0.000 nan 58.200 nan 0.000 1.107 405 S CB 0.000 nan 63.200 nan 0.000 0.593 405 S HN 0.000 nan 8.310 nan 0.000 0.517