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 1w9c_1_B DATA FIRST_RESID 707 DATA SEQUENCE VIQLGRIYLD MLNVYKCLSE NISAAIQANG EMVTKQPLIR SMRTVKRETL DATA SEQUENCE KLISGWVSRS NDPQMVAENF VPPLLDAVLI DYQRNVPAAR EPEVLSTMAI DATA SEQUENCE IVNKLGGHIT AEIPQIFDAV FECTLNMINK DFEEYPEHRT NFFLLLQAVN DATA SEQUENCE SHCFPAFLAI PPTQFKLVLD SIIWAFKHTM RNVADTGLQI LFTLLQNVAQ DATA SEQUENCE EEAAAQSFYQ TYFCDILQHI FSVVTDTSHT AGLTMHASIL AYMFNLVEEG DATA SEQUENCE KISTSLNPGN PVNNQIFLQE YVANLLKSAF PHLQDAQVKL FVTGLFSLNQ DATA SEQUENCE DIPAFKEHLR DFLVQIKEFA G 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 707 V HA 0.000 nan 4.120 nan 0.000 0.244 707 V C 0.000 176.129 176.094 0.059 0.000 1.182 707 V CA 0.000 62.336 62.300 0.060 0.000 1.235 707 V CB 0.000 31.845 31.823 0.037 0.000 1.184 708 I N 2.188 122.811 120.570 0.088 0.000 2.308 708 I HA 0.349 4.519 4.170 0.001 0.000 0.293 708 I C 0.160 176.285 176.117 0.013 0.000 1.078 708 I CA 0.164 61.490 61.300 0.043 0.000 1.292 708 I CB 0.797 38.836 38.000 0.064 0.000 1.423 708 I HN 0.280 nan 8.210 nan 0.000 0.493 709 Q N 8.280 128.038 119.800 -0.070 0.000 2.673 709 Q HA 0.223 4.564 4.340 0.001 0.000 0.224 709 Q C 0.513 176.315 176.000 -0.330 0.000 1.226 709 Q CA -0.186 55.551 55.803 -0.111 0.000 1.019 709 Q CB 1.222 29.938 28.738 -0.037 0.000 1.312 709 Q HN 0.833 nan 8.270 nan 0.000 0.566 710 L N -0.289 120.455 121.223 -0.798 0.000 2.446 710 L HA 0.038 4.378 4.340 0.001 0.000 0.219 710 L C 2.016 178.422 176.870 -0.773 0.000 1.116 710 L CA 0.513 54.785 54.840 -0.947 0.000 0.844 710 L CB -0.221 40.937 42.059 -1.501 0.000 0.970 710 L HN 0.590 nan 8.230 nan 0.000 0.457 711 G N 0.620 109.076 108.800 -0.572 0.000 2.545 711 G HA2 -0.292 3.668 3.960 0.001 0.000 0.222 711 G HA3 -0.292 3.668 3.960 0.001 0.000 0.222 711 G C 1.748 176.575 174.900 -0.120 0.000 1.126 711 G CA 0.513 45.486 45.100 -0.211 0.000 0.754 711 G HN 0.229 nan 8.290 nan 0.000 0.583 712 R N 0.307 120.735 120.500 -0.119 0.000 2.120 712 R HA -0.016 4.324 4.340 0.001 0.000 0.234 712 R C 2.405 178.660 176.300 -0.074 0.000 1.123 712 R CA 1.487 57.545 56.100 -0.069 0.000 0.975 712 R CB -0.340 29.920 30.300 -0.066 0.000 0.866 712 R HN 0.734 nan 8.270 nan 0.000 0.446 713 I N -4.736 115.760 120.570 -0.123 0.000 4.154 713 I HA 0.134 4.304 4.170 0.001 0.000 0.334 713 I C 1.649 177.708 176.117 -0.096 0.000 1.371 713 I CA -0.317 60.923 61.300 -0.101 0.000 1.110 713 I CB -0.209 37.726 38.000 -0.108 0.000 1.085 713 I HN -0.195 nan 8.210 nan 0.000 0.398 714 Y N 2.530 122.658 120.300 -0.286 0.000 2.069 714 Y HA -0.335 4.216 4.550 0.000 0.000 0.278 714 Y C 2.346 178.164 175.900 -0.137 0.000 1.175 714 Y CA 2.633 60.564 58.100 -0.281 0.000 1.134 714 Y CB -0.416 37.816 38.460 -0.380 0.000 0.965 714 Y HN 0.373 nan 8.280 nan 0.000 0.498 715 L N 0.378 121.547 121.223 -0.091 0.000 1.990 715 L HA -0.270 4.070 4.340 0.001 0.000 0.213 715 L C 2.064 178.856 176.870 -0.131 0.000 1.072 715 L CA 2.627 57.396 54.840 -0.118 0.000 0.755 715 L CB -0.996 41.054 42.059 -0.015 0.000 0.889 715 L HN 0.199 nan 8.230 nan 0.000 0.432 716 D N -0.567 119.780 120.400 -0.089 0.000 2.123 716 D HA -0.229 4.411 4.640 0.001 0.000 0.196 716 D C 2.260 178.512 176.300 -0.081 0.000 0.992 716 D CA 2.030 55.988 54.000 -0.069 0.000 0.833 716 D CB -0.200 40.568 40.800 -0.053 0.000 0.954 716 D HN 0.461 nan 8.370 nan 0.000 0.455 717 M N 0.115 119.647 119.600 -0.115 0.000 2.080 717 M HA -0.145 4.335 4.480 0.001 0.000 0.260 717 M C 2.362 178.610 176.300 -0.086 0.000 1.068 717 M CA 1.173 56.416 55.300 -0.096 0.000 1.109 717 M CB -0.271 32.256 32.600 -0.121 0.000 1.342 717 M HN 0.001 nan 8.290 nan 0.000 0.405 718 L N -0.370 120.727 121.223 -0.210 0.000 2.141 718 L HA -0.204 4.136 4.340 0.001 0.000 0.209 718 L C 2.024 178.874 176.870 -0.034 0.000 1.094 718 L CA 0.792 55.525 54.840 -0.178 0.000 0.763 718 L CB -0.835 41.022 42.059 -0.338 0.000 0.908 718 L HN 0.343 nan 8.230 nan 0.000 0.437 719 N N -0.242 118.430 118.700 -0.048 0.000 2.142 719 N HA -0.123 4.618 4.740 0.001 0.000 0.186 719 N C 1.847 177.367 175.510 0.017 0.000 1.023 719 N CA 0.995 54.039 53.050 -0.011 0.000 0.852 719 N CB -0.219 38.254 38.487 -0.025 0.000 0.998 719 N HN 0.020 nan 8.380 nan 0.000 0.424 720 V N 0.127 120.051 119.914 0.017 0.000 2.358 720 V HA -0.221 3.899 4.120 0.001 0.000 0.246 720 V C 1.872 177.991 176.094 0.042 0.000 1.047 720 V CA 1.338 63.649 62.300 0.018 0.000 1.035 720 V CB -0.742 31.086 31.823 0.009 0.000 0.658 720 V HN 0.313 nan 8.190 nan 0.000 0.452 721 Y N 1.256 121.530 120.300 -0.043 0.000 2.114 721 Y HA -0.298 4.253 4.550 0.000 0.000 0.282 721 Y C 2.582 178.472 175.900 -0.017 0.000 1.165 721 Y CA 2.095 60.178 58.100 -0.028 0.000 1.148 721 Y CB -0.099 38.339 38.460 -0.036 0.000 0.972 721 Y HN 0.151 nan 8.280 nan 0.000 0.504 722 K N -1.105 119.417 120.400 0.203 0.000 2.057 722 K HA -0.214 4.106 4.320 0.001 0.000 0.207 722 K C 2.384 178.999 176.600 0.025 0.000 1.049 722 K CA 1.284 57.643 56.287 0.120 0.000 0.931 722 K CB -0.685 31.873 32.500 0.096 0.000 0.714 722 K HN 0.422 nan 8.250 nan 0.000 0.440 723 C N 1.166 120.470 119.300 0.007 0.000 2.457 723 C HA 0.019 4.479 4.460 0.001 0.000 0.278 723 C C 2.413 177.379 174.990 -0.040 0.000 1.309 723 C CA 0.345 59.355 59.018 -0.013 0.000 1.735 723 C CB -0.865 26.868 27.740 -0.010 0.000 1.992 723 C HN 0.380 nan 8.230 nan 0.000 0.493 724 L N 0.443 121.623 121.223 -0.071 0.000 2.141 724 L HA -0.073 4.268 4.340 0.001 0.000 0.209 724 L C 2.791 179.586 176.870 -0.126 0.000 1.094 724 L CA 1.442 56.220 54.840 -0.102 0.000 0.763 724 L CB -0.671 41.307 42.059 -0.136 0.000 0.908 724 L HN 0.322 nan 8.230 nan 0.000 0.437 725 S N -0.064 115.541 115.700 -0.159 0.000 2.353 725 S HA -0.223 4.247 4.470 0.001 0.000 0.222 725 S C 1.820 176.381 174.600 -0.065 0.000 1.035 725 S CA 1.444 59.564 58.200 -0.134 0.000 1.025 725 S CB -0.204 62.937 63.200 -0.099 0.000 0.902 725 S HN 0.440 nan 8.310 nan 0.000 0.440 726 E N 1.108 121.284 120.200 -0.040 0.000 2.118 726 E HA -0.139 4.211 4.350 0.001 0.000 0.195 726 E C 2.001 178.584 176.600 -0.028 0.000 0.992 726 E CA 0.798 57.184 56.400 -0.024 0.000 0.804 726 E CB -0.165 29.528 29.700 -0.012 0.000 0.741 726 E HN 0.376 nan 8.360 nan 0.000 0.458 727 N N 0.566 119.244 118.700 -0.037 0.000 2.120 727 N HA -0.139 4.601 4.740 0.001 0.000 0.188 727 N C 1.954 177.442 175.510 -0.035 0.000 1.024 727 N CA 1.009 54.039 53.050 -0.033 0.000 0.852 727 N CB -0.067 38.398 38.487 -0.037 0.000 1.003 727 N HN 0.168 nan 8.380 nan 0.000 0.424 728 I N 0.723 121.265 120.570 -0.047 0.000 2.202 728 I HA -0.205 3.966 4.170 0.001 0.000 0.242 728 I C 2.289 178.385 176.117 -0.035 0.000 1.091 728 I CA 0.716 61.989 61.300 -0.045 0.000 1.368 728 I CB -0.197 37.766 38.000 -0.061 0.000 1.058 728 I HN 0.004 nan 8.210 nan 0.000 0.410 729 S N 0.799 116.479 115.700 -0.035 0.000 2.353 729 S HA -0.208 4.263 4.470 0.001 0.000 0.222 729 S C 2.293 176.880 174.600 -0.021 0.000 1.035 729 S CA 1.459 59.643 58.200 -0.027 0.000 1.025 729 S CB -0.481 62.706 63.200 -0.021 0.000 0.902 729 S HN 0.543 nan 8.310 nan 0.000 0.440 730 A N 1.560 124.369 122.820 -0.019 0.000 1.908 730 A HA 0.019 4.339 4.320 0.001 0.000 0.218 730 A C 2.351 179.926 177.584 -0.015 0.000 1.181 730 A CA 1.871 53.899 52.037 -0.015 0.000 0.627 730 A CB -1.107 17.885 19.000 -0.014 0.000 0.818 730 A HN 0.535 nan 8.150 nan 0.000 0.445 731 A N -0.375 122.435 122.820 -0.018 0.000 1.930 731 A HA -0.018 4.302 4.320 0.001 0.000 0.217 731 A C 2.120 179.696 177.584 -0.015 0.000 1.175 731 A CA 1.482 53.510 52.037 -0.015 0.000 0.627 731 A CB -0.500 18.490 19.000 -0.017 0.000 0.815 731 A HN 0.515 nan 8.150 nan 0.000 0.443 732 I N -0.880 119.680 120.570 -0.017 0.000 2.188 732 I HA -0.221 3.949 4.170 0.001 0.000 0.237 732 I C 2.045 178.152 176.117 -0.015 0.000 1.073 732 I CA 1.012 62.302 61.300 -0.017 0.000 1.359 732 I CB -0.495 37.492 38.000 -0.022 0.000 1.083 732 I HN 0.314 nan 8.210 nan 0.000 0.412 733 Q N 0.649 120.439 119.800 -0.016 0.000 2.541 733 Q HA -0.045 4.295 4.340 0.001 0.000 0.216 733 Q C 1.087 177.080 176.000 -0.011 0.000 0.968 733 Q CA 0.672 56.467 55.803 -0.014 0.000 0.989 733 Q CB 0.001 28.730 28.738 -0.014 0.000 0.991 733 Q HN 0.584 nan 8.270 nan 0.000 0.549 734 A N -0.349 122.465 122.820 -0.011 0.000 1.999 734 A HA 0.134 4.455 4.320 0.001 0.000 0.190 734 A C 0.505 178.084 177.584 -0.008 0.000 1.737 734 A CA -0.192 51.840 52.037 -0.009 0.000 1.257 734 A CB 0.596 19.591 19.000 -0.009 0.000 1.401 734 A HN 0.260 nan 8.150 nan 0.000 0.430 735 N N 0.034 118.729 118.700 -0.009 0.000 2.387 735 N HA 0.456 5.196 4.740 0.001 0.000 0.259 735 N C 0.283 175.789 175.510 -0.007 0.000 1.369 735 N CA 0.696 53.741 53.050 -0.007 0.000 0.867 735 N CB 1.410 39.893 38.487 -0.007 0.000 1.341 735 N HN 0.848 nan 8.380 nan 0.000 0.495 736 G N 0.775 109.570 108.800 -0.008 0.000 2.860 736 G HA2 -0.282 3.678 3.960 0.001 0.000 0.553 736 G HA3 -0.282 3.678 3.960 0.001 0.000 0.553 736 G C 0.462 175.358 174.900 -0.007 0.000 1.439 736 G CA -0.295 44.801 45.100 -0.008 0.000 0.879 736 G HN 0.271 nan 8.290 nan 0.000 0.545 737 E N -0.187 120.010 120.200 -0.005 0.000 2.150 737 E HA -0.097 4.254 4.350 0.001 0.000 0.193 737 E C 2.838 179.439 176.600 0.003 0.000 0.985 737 E CA 1.411 57.810 56.400 -0.001 0.000 0.814 737 E CB -0.144 29.558 29.700 0.004 0.000 0.752 737 E HN 0.593 nan 8.360 nan 0.000 0.466 738 M N 0.439 120.041 119.600 0.002 0.000 2.146 738 M HA -0.251 4.229 4.480 0.001 0.000 0.256 738 M C 2.341 178.643 176.300 0.002 0.000 1.075 738 M CA 1.264 56.566 55.300 0.003 0.000 1.082 738 M CB -0.681 31.920 32.600 0.001 0.000 1.355 738 M HN 0.036 nan 8.290 nan 0.000 0.402 739 V N 0.737 120.650 119.914 -0.001 0.000 2.313 739 V HA -0.333 3.788 4.120 0.001 0.000 0.253 739 V C 2.541 178.634 176.094 -0.002 0.000 1.070 739 V CA 2.538 64.836 62.300 -0.003 0.000 1.057 739 V CB -1.941 29.878 31.823 -0.007 0.000 0.653 739 V HN 0.710 nan 8.190 nan 0.000 0.450 740 T N -1.841 112.714 114.554 0.001 0.000 2.946 740 T HA -0.267 4.084 4.350 0.001 0.000 0.270 740 T C 1.502 176.207 174.700 0.008 0.000 1.129 740 T CA 1.731 63.834 62.100 0.004 0.000 1.103 740 T CB -0.432 68.443 68.868 0.013 0.000 0.839 740 T HN 0.568 nan 8.240 nan 0.000 0.544 741 K N 0.291 120.695 120.400 0.007 0.000 2.356 741 K HA 0.178 4.498 4.320 0.001 0.000 0.195 741 K C 1.028 177.630 176.600 0.004 0.000 1.037 741 K CA -0.080 56.212 56.287 0.008 0.000 1.014 741 K CB 0.212 32.717 32.500 0.008 0.000 0.815 741 K HN 0.501 nan 8.250 nan 0.000 0.507 742 Q N 0.908 120.708 119.800 0.001 0.000 2.395 742 Q HA -0.015 4.325 4.340 0.001 0.000 0.271 742 Q C -1.947 174.052 176.000 -0.002 0.000 1.026 742 Q CA -1.273 54.529 55.803 -0.001 0.000 0.900 742 Q CB 0.498 29.233 28.738 -0.004 0.000 1.266 742 Q HN -0.087 nan 8.270 nan 0.000 0.430 743 P HA -0.218 nan 4.420 nan 0.000 0.215 743 P C 0.908 178.205 177.300 -0.005 0.000 1.157 743 P CA 1.404 64.503 63.100 -0.002 0.000 0.874 743 P CB 0.183 31.882 31.700 -0.002 0.000 0.790 744 L N -1.530 119.689 121.223 -0.007 0.000 2.056 744 L HA -0.124 4.216 4.340 0.001 0.000 0.207 744 L C 2.258 179.119 176.870 -0.015 0.000 1.078 744 L CA 1.022 55.855 54.840 -0.011 0.000 0.749 744 L CB -0.789 41.263 42.059 -0.011 0.000 0.901 744 L HN -0.053 nan 8.230 nan 0.000 0.433 745 I N -0.012 120.550 120.570 -0.014 0.000 2.286 745 I HA -0.243 3.927 4.170 0.001 0.000 0.248 745 I C 2.637 178.744 176.117 -0.017 0.000 1.115 745 I CA 1.453 62.742 61.300 -0.018 0.000 1.392 745 I CB -1.039 36.952 38.000 -0.014 0.000 1.065 745 I HN 0.292 nan 8.210 nan 0.000 0.418 746 R N 0.148 120.642 120.500 -0.009 0.000 2.075 746 R HA -0.074 4.266 4.340 0.001 0.000 0.232 746 R C 2.513 178.808 176.300 -0.007 0.000 1.126 746 R CA 1.433 57.530 56.100 -0.004 0.000 0.963 746 R CB -0.247 30.055 30.300 0.002 0.000 0.858 746 R HN 0.238 nan 8.270 nan 0.000 0.435 747 S N 0.829 116.523 115.700 -0.010 0.000 2.368 747 S HA -0.130 4.340 4.470 0.001 0.000 0.225 747 S C 1.934 176.522 174.600 -0.020 0.000 1.030 747 S CA 1.286 59.480 58.200 -0.011 0.000 0.999 747 S CB -0.063 63.131 63.200 -0.011 0.000 0.844 747 S HN 0.242 nan 8.310 nan 0.000 0.459 748 M N 0.800 120.382 119.600 -0.031 0.000 2.067 748 M HA -0.119 4.361 4.480 0.001 0.000 0.260 748 M C 2.361 178.622 176.300 -0.065 0.000 1.069 748 M CA 1.475 56.744 55.300 -0.052 0.000 1.117 748 M CB -0.519 32.045 32.600 -0.060 0.000 1.334 748 M HN 0.185 nan 8.290 nan 0.000 0.407 749 R N -0.381 120.090 120.500 -0.049 0.000 2.091 749 R HA -0.121 4.220 4.340 0.001 0.000 0.238 749 R C 2.195 178.485 176.300 -0.018 0.000 1.136 749 R CA 1.907 57.982 56.100 -0.041 0.000 0.959 749 R CB -0.886 29.406 30.300 -0.014 0.000 0.856 749 R HN 0.398 nan 8.270 nan 0.000 0.437 750 T N 0.621 115.171 114.554 -0.006 0.000 2.746 750 T HA -0.086 4.265 4.350 0.001 0.000 0.267 750 T C 1.997 176.705 174.700 0.014 0.000 1.039 750 T CA 1.230 63.336 62.100 0.010 0.000 1.142 750 T CB -0.130 68.743 68.868 0.008 0.000 0.866 750 T HN 0.003 nan 8.240 nan 0.000 0.444 751 V N 1.368 121.280 119.914 -0.002 0.000 2.343 751 V HA -0.167 3.953 4.120 0.001 0.000 0.247 751 V C 2.468 178.583 176.094 0.034 0.000 1.051 751 V CA 1.555 63.859 62.300 0.008 0.000 1.036 751 V CB -0.454 31.363 31.823 -0.011 0.000 0.654 751 V HN 0.457 nan 8.190 nan 0.000 0.451 752 K N -0.251 120.140 120.400 -0.016 0.000 2.063 752 K HA -0.223 4.098 4.320 0.001 0.000 0.208 752 K C 2.398 179.124 176.600 0.209 0.000 1.048 752 K CA 1.729 58.019 56.287 0.004 0.000 0.928 752 K CB -0.248 32.065 32.500 -0.311 0.000 0.713 752 K HN 0.346 nan 8.250 nan 0.000 0.442 753 R N 1.103 121.671 120.500 0.114 0.000 2.066 753 R HA -0.130 4.210 4.340 0.001 0.000 0.232 753 R C 1.755 178.117 176.300 0.102 0.000 1.131 753 R CA 1.415 57.584 56.100 0.116 0.000 0.955 753 R CB 0.066 30.409 30.300 0.071 0.000 0.851 753 R HN 0.051 nan 8.270 nan 0.000 0.432 754 E N 0.088 120.334 120.200 0.077 0.000 2.150 754 E HA -0.109 4.241 4.350 0.001 0.000 0.193 754 E C 1.925 178.568 176.600 0.071 0.000 0.985 754 E CA 1.448 57.885 56.400 0.061 0.000 0.814 754 E CB -0.347 29.377 29.700 0.041 0.000 0.752 754 E HN 0.381 nan 8.360 nan 0.000 0.466 755 T N 1.733 116.347 114.554 0.100 0.000 2.708 755 T HA -0.085 4.265 4.350 0.001 0.000 0.266 755 T C 2.080 176.833 174.700 0.088 0.000 1.037 755 T CA 0.828 62.989 62.100 0.101 0.000 1.146 755 T CB -0.192 68.784 68.868 0.181 0.000 0.865 755 T HN 0.104 nan 8.240 nan 0.000 0.435 756 L N 0.335 121.625 121.223 0.112 0.000 2.093 756 L HA -0.080 4.261 4.340 0.001 0.000 0.208 756 L C 2.642 179.560 176.870 0.080 0.000 1.085 756 L CA 1.331 56.217 54.840 0.077 0.000 0.755 756 L CB -0.431 41.684 42.059 0.094 0.000 0.904 756 L HN 0.225 nan 8.230 nan 0.000 0.435 757 K N 0.130 120.577 120.400 0.078 0.000 2.057 757 K HA -0.136 4.184 4.320 0.001 0.000 0.207 757 K C 2.113 178.758 176.600 0.076 0.000 1.049 757 K CA 1.129 57.458 56.287 0.069 0.000 0.931 757 K CB -0.176 32.359 32.500 0.058 0.000 0.714 757 K HN 0.233 nan 8.250 nan 0.000 0.440 758 L N 0.792 122.057 121.223 0.069 0.000 2.056 758 L HA -0.168 4.172 4.340 0.001 0.000 0.207 758 L C 2.362 179.302 176.870 0.116 0.000 1.078 758 L CA 1.087 55.966 54.840 0.065 0.000 0.749 758 L CB -0.327 41.744 42.059 0.021 0.000 0.901 758 L HN 0.175 nan 8.230 nan 0.000 0.433 759 I N -0.948 119.702 120.570 0.134 0.000 2.252 759 I HA -0.267 3.903 4.170 0.001 0.000 0.245 759 I C 2.608 178.865 176.117 0.232 0.000 1.102 759 I CA 1.036 62.478 61.300 0.237 0.000 1.385 759 I CB -0.186 37.956 38.000 0.237 0.000 1.064 759 I HN 0.180 nan 8.210 nan 0.000 0.414 760 S N 0.810 116.598 115.700 0.146 0.000 2.359 760 S HA -0.163 4.307 4.470 0.001 0.000 0.224 760 S C 2.123 176.789 174.600 0.109 0.000 1.035 760 S CA 1.547 59.812 58.200 0.107 0.000 1.018 760 S CB -0.853 62.394 63.200 0.078 0.000 0.876 760 S HN 0.643 nan 8.310 nan 0.000 0.448 761 G N -0.362 108.511 108.800 0.122 0.000 2.432 761 G HA2 -0.229 3.732 3.960 0.001 0.000 0.219 761 G HA3 -0.229 3.732 3.960 0.001 0.000 0.219 761 G C 1.104 176.106 174.900 0.170 0.000 1.135 761 G CA 0.716 45.886 45.100 0.117 0.000 0.767 761 G HN 0.586 nan 8.290 nan 0.000 0.550 762 W N 0.931 122.223 121.300 -0.013 0.000 2.409 762 W HA 0.023 4.684 4.660 0.000 0.000 0.299 762 W C 2.353 178.855 176.519 -0.027 0.000 1.203 762 W CA 1.152 58.477 57.345 -0.032 0.000 1.298 762 W CB -0.440 28.980 29.460 -0.066 0.000 1.127 762 W HN 0.020 nan 8.180 nan 0.000 0.528 763 V N 1.416 121.317 119.914 -0.021 0.000 2.343 763 V HA -0.313 3.808 4.120 0.001 0.000 0.247 763 V C 2.639 178.654 176.094 -0.132 0.000 1.051 763 V CA 2.441 64.629 62.300 -0.187 0.000 1.036 763 V CB -1.483 30.305 31.823 -0.058 0.000 0.654 763 V HN 0.382 nan 8.190 nan 0.000 0.451 764 S N 1.937 117.610 115.700 -0.044 0.000 2.440 764 S HA -0.222 4.248 4.470 0.001 0.000 0.238 764 S C 1.661 176.230 174.600 -0.052 0.000 1.010 764 S CA 1.377 59.556 58.200 -0.035 0.000 0.972 764 S CB -0.435 62.767 63.200 0.003 0.000 0.774 764 S HN 0.818 nan 8.310 nan 0.000 0.501 765 R N 1.613 122.074 120.500 -0.065 0.000 2.546 765 R HA 0.296 4.636 4.340 0.001 0.000 0.320 765 R C 0.155 176.383 176.300 -0.120 0.000 1.021 765 R CA 0.094 56.158 56.100 -0.061 0.000 1.088 765 R CB -0.200 30.096 30.300 -0.007 0.000 1.278 765 R HN 0.447 nan 8.270 nan 0.000 0.557 766 S N 0.962 116.541 115.700 -0.202 0.000 2.624 766 S HA 0.132 4.603 4.470 0.001 0.000 0.263 766 S C 0.368 174.871 174.600 -0.160 0.000 1.287 766 S CA -0.460 57.589 58.200 -0.252 0.000 0.990 766 S CB 1.194 64.180 63.200 -0.358 0.000 0.950 766 S HN 0.336 nan 8.310 nan 0.000 0.561 767 N N -0.549 118.062 118.700 -0.149 0.000 2.307 767 N HA 0.173 4.913 4.740 0.001 0.000 0.248 767 N C -1.567 173.870 175.510 -0.121 0.000 1.322 767 N CA -0.136 52.847 53.050 -0.111 0.000 0.861 767 N CB 0.623 39.063 38.487 -0.078 0.000 1.303 767 N HN 0.639 nan 8.380 nan 0.000 0.498 768 D N 0.344 120.645 120.400 -0.164 0.000 2.517 768 D HA 0.218 4.858 4.640 0.001 0.000 0.263 768 D C -1.816 174.330 176.300 -0.257 0.000 1.233 768 D CA -1.649 52.237 54.000 -0.189 0.000 0.849 768 D CB 1.391 42.079 40.800 -0.187 0.000 1.261 768 D HN 0.084 nan 8.370 nan 0.000 0.516 769 P HA -0.258 nan 4.420 nan 0.000 0.216 769 P C 1.449 178.433 177.300 -0.527 0.000 1.154 769 P CA 1.167 64.091 63.100 -0.295 0.000 0.865 769 P CB 0.597 32.224 31.700 -0.123 0.000 0.789 770 Q N -1.313 118.033 119.800 -0.757 0.000 2.046 770 Q HA -0.142 4.198 4.340 0.001 0.000 0.200 770 Q C 2.323 178.080 176.000 -0.406 0.000 0.975 770 Q CA 1.385 56.758 55.803 -0.718 0.000 0.836 770 Q CB -0.456 27.956 28.738 -0.543 0.000 0.896 770 Q HN 0.040 nan 8.270 nan 0.000 0.428 771 M N 0.318 119.700 119.600 -0.365 0.000 2.108 771 M HA -0.155 4.325 4.480 0.001 0.000 0.261 771 M C 1.940 177.930 176.300 -0.515 0.000 1.066 771 M CA 1.413 56.489 55.300 -0.373 0.000 1.107 771 M CB -0.461 31.938 32.600 -0.336 0.000 1.356 771 M HN 0.191 nan 8.290 nan 0.000 0.406 772 V N 0.960 120.576 119.914 -0.496 0.000 2.343 772 V HA -0.224 3.896 4.120 0.001 0.000 0.247 772 V C 2.787 178.688 176.094 -0.321 0.000 1.051 772 V CA 1.814 63.804 62.300 -0.516 0.000 1.036 772 V CB -1.673 29.968 31.823 -0.303 0.000 0.654 772 V HN 0.617 nan 8.190 nan 0.000 0.451 773 A N -0.283 122.395 122.820 -0.237 0.000 1.933 773 A HA -0.221 4.099 4.320 0.001 0.000 0.218 773 A C 2.170 179.685 177.584 -0.115 0.000 1.175 773 A CA 1.829 53.790 52.037 -0.127 0.000 0.628 773 A CB -0.397 18.551 19.000 -0.086 0.000 0.814 773 A HN 0.642 nan 8.150 nan 0.000 0.444 774 E N -0.580 119.517 120.200 -0.171 0.000 2.216 774 E HA -0.063 4.288 4.350 0.001 0.000 0.192 774 E C 1.123 177.648 176.600 -0.125 0.000 0.988 774 E CA 0.833 57.157 56.400 -0.128 0.000 0.834 774 E CB -0.018 29.600 29.700 -0.136 0.000 0.772 774 E HN 0.596 nan 8.360 nan 0.000 0.479 775 N N -0.604 117.951 118.700 -0.242 0.000 2.460 775 N HA 0.084 4.824 4.740 0.001 0.000 0.193 775 N C 1.295 176.848 175.510 0.072 0.000 1.080 775 N CA 0.498 53.429 53.050 -0.199 0.000 0.869 775 N CB 0.239 38.455 38.487 -0.452 0.000 1.201 775 N HN 0.141 nan 8.380 nan 0.000 0.457 776 F N 0.257 120.209 119.950 0.004 0.000 2.559 776 F HA 0.186 4.714 4.527 0.001 0.000 0.286 776 F C 2.142 178.032 175.800 0.149 0.000 1.108 776 F CA -0.164 57.875 58.000 0.064 0.000 1.436 776 F CB 0.270 39.152 39.000 -0.196 0.000 1.130 776 F HN -0.236 nan 8.300 nan 0.000 0.584 777 V N 1.300 121.340 119.914 0.210 0.000 2.358 777 V HA -0.148 3.972 4.120 0.001 0.000 0.246 777 V C -0.683 175.491 176.094 0.133 0.000 1.047 777 V CA 1.856 64.246 62.300 0.149 0.000 1.035 777 V CB -1.506 30.354 31.823 0.063 0.000 0.658 777 V HN 0.122 nan 8.190 nan 0.000 0.452 778 P HA -0.132 nan 4.420 nan 0.000 0.213 778 P C -1.238 176.120 177.300 0.097 0.000 1.170 778 P CA 2.094 65.246 63.100 0.086 0.000 0.902 778 P CB -1.368 30.374 31.700 0.069 0.000 0.789 779 P HA -0.157 nan 4.420 nan 0.000 0.216 779 P C 1.738 179.062 177.300 0.040 0.000 1.150 779 P CA 1.214 64.368 63.100 0.091 0.000 0.837 779 P CB -0.340 31.438 31.700 0.131 0.000 0.786 780 L N -0.236 121.048 121.223 0.102 0.000 2.017 780 L HA -0.120 4.221 4.340 0.001 0.000 0.208 780 L C 2.579 179.448 176.870 -0.002 0.000 1.073 780 L CA 1.730 56.594 54.840 0.039 0.000 0.745 780 L CB -1.422 40.731 42.059 0.158 0.000 0.894 780 L HN -0.191 nan 8.230 nan 0.000 0.432 781 L N -0.754 120.491 121.223 0.037 0.000 2.093 781 L HA -0.176 4.164 4.340 0.001 0.000 0.208 781 L C 2.215 179.103 176.870 0.030 0.000 1.085 781 L CA 1.107 55.965 54.840 0.030 0.000 0.755 781 L CB -0.957 41.127 42.059 0.042 0.000 0.904 781 L HN 0.308 nan 8.230 nan 0.000 0.435 782 D N 0.480 120.898 120.400 0.031 0.000 2.178 782 D HA -0.145 4.496 4.640 0.001 0.000 0.201 782 D C 2.130 178.450 176.300 0.033 0.000 0.980 782 D CA 1.571 55.591 54.000 0.033 0.000 0.842 782 D CB 0.205 41.024 40.800 0.031 0.000 0.948 782 D HN 0.340 nan 8.370 nan 0.000 0.472 783 A N 0.307 123.129 122.820 0.003 0.000 2.030 783 A HA 0.022 4.342 4.320 0.001 0.000 0.215 783 A C 2.271 179.888 177.584 0.055 0.000 1.164 783 A CA 1.077 53.123 52.037 0.015 0.000 0.697 783 A CB -0.017 18.940 19.000 -0.072 0.000 0.827 783 A HN 0.221 nan 8.150 nan 0.000 0.457 784 V N -3.080 116.832 119.914 -0.003 0.000 3.048 784 V HA 0.146 4.266 4.120 0.001 0.000 0.241 784 V C 2.063 178.242 176.094 0.141 0.000 1.129 784 V CA 0.597 62.937 62.300 0.068 0.000 1.128 784 V CB -0.845 30.942 31.823 -0.060 0.000 0.849 784 V HN 0.325 nan 8.190 nan 0.000 0.475 785 L N 0.281 121.561 121.223 0.095 0.000 1.944 785 L HA -0.149 4.191 4.340 0.001 0.000 0.218 785 L C 2.768 179.735 176.870 0.161 0.000 1.075 785 L CA 2.599 57.508 54.840 0.115 0.000 0.767 785 L CB -0.652 41.457 42.059 0.083 0.000 0.890 785 L HN 0.244 nan 8.230 nan 0.000 0.434 786 I N -0.103 120.542 120.570 0.125 0.000 2.361 786 I HA -0.290 3.880 4.170 0.001 0.000 0.251 786 I C 2.151 178.340 176.117 0.121 0.000 1.133 786 I CA 1.459 62.827 61.300 0.113 0.000 1.413 786 I CB -0.397 37.651 38.000 0.081 0.000 1.073 786 I HN 0.382 nan 8.210 nan 0.000 0.424 787 D N 0.242 120.729 120.400 0.145 0.000 2.178 787 D HA -0.273 4.367 4.640 0.001 0.000 0.201 787 D C 2.118 178.502 176.300 0.139 0.000 0.980 787 D CA 1.260 55.341 54.000 0.135 0.000 0.842 787 D CB -0.067 40.844 40.800 0.185 0.000 0.948 787 D HN 0.386 nan 8.370 nan 0.000 0.472 788 Y N 0.681 121.026 120.300 0.075 0.000 2.153 788 Y HA -0.116 4.434 4.550 0.000 0.000 0.289 788 Y C 2.415 178.328 175.900 0.022 0.000 1.127 788 Y CA 1.994 60.129 58.100 0.058 0.000 1.131 788 Y CB -0.476 38.029 38.460 0.074 0.000 0.995 788 Y HN -0.008 nan 8.280 nan 0.000 0.505 789 Q N 0.584 120.519 119.800 0.224 0.000 2.030 789 Q HA -0.228 4.112 4.340 0.001 0.000 0.204 789 Q C 1.718 177.714 176.000 -0.008 0.000 0.986 789 Q CA 2.111 57.984 55.803 0.116 0.000 0.843 789 Q CB -0.230 28.594 28.738 0.143 0.000 0.904 789 Q HN 0.431 nan 8.270 nan 0.000 0.420 790 R N 0.575 121.079 120.500 0.006 0.000 2.325 790 R HA 0.112 4.452 4.340 0.001 0.000 0.214 790 R C -0.249 176.019 176.300 -0.052 0.000 0.961 790 R CA -0.202 55.888 56.100 -0.018 0.000 1.086 790 R CB -0.050 30.254 30.300 0.007 0.000 1.037 790 R HN 0.219 nan 8.270 nan 0.000 0.493 791 N N -0.263 118.376 118.700 -0.102 0.000 2.485 791 N HA 0.170 4.910 4.740 0.001 0.000 0.280 791 N C -0.679 174.737 175.510 -0.157 0.000 1.205 791 N CA -0.638 52.339 53.050 -0.122 0.000 0.959 791 N CB 1.278 39.679 38.487 -0.143 0.000 1.206 791 N HN -0.144 nan 8.380 nan 0.000 0.545 792 V N -0.307 119.530 119.914 -0.129 0.000 2.649 792 V HA 0.332 4.452 4.120 0.001 0.000 0.292 792 V C -1.783 174.197 176.094 -0.190 0.000 1.055 792 V CA -1.208 61.016 62.300 -0.128 0.000 1.023 792 V CB 1.074 32.854 31.823 -0.072 0.000 0.992 792 V HN 0.619 nan 8.190 nan 0.000 0.480 793 P HA -0.255 nan 4.420 nan 0.000 0.217 793 P C 1.582 178.707 177.300 -0.292 0.000 1.158 793 P CA 2.769 65.614 63.100 -0.425 0.000 0.887 793 P CB 0.020 31.470 31.700 -0.417 0.000 0.792 794 A N -1.111 121.684 122.820 -0.041 0.000 2.178 794 A HA 0.029 4.349 4.320 0.001 0.000 0.218 794 A C 1.961 179.563 177.584 0.030 0.000 1.157 794 A CA 1.741 53.828 52.037 0.083 0.000 0.689 794 A CB -1.114 17.937 19.000 0.085 0.000 0.787 794 A HN 0.255 nan 8.150 nan 0.000 0.465 795 A N -1.102 121.688 122.820 -0.050 0.000 2.508 795 A HA 0.350 4.670 4.320 0.001 0.000 0.257 795 A C 0.773 178.315 177.584 -0.070 0.000 1.226 795 A CA -0.477 51.534 52.037 -0.043 0.000 0.947 795 A CB 0.192 19.160 19.000 -0.054 0.000 1.079 795 A HN 0.367 nan 8.150 nan 0.000 0.531 796 R N 1.973 122.386 120.500 -0.145 0.000 2.216 796 R HA 0.259 4.599 4.340 0.001 0.000 0.332 796 R C -0.821 175.583 176.300 0.173 0.000 1.056 796 R CA -0.329 55.643 56.100 -0.213 0.000 0.901 796 R CB 0.643 30.504 30.300 -0.731 0.000 1.039 796 R HN 0.282 nan 8.270 nan 0.000 0.456 797 E N 5.598 125.944 120.200 0.244 0.000 2.257 797 E HA 0.025 4.375 4.350 0.001 0.000 0.278 797 E C -1.531 175.237 176.600 0.281 0.000 1.049 797 E CA -1.925 54.620 56.400 0.241 0.000 0.876 797 E CB 0.908 30.733 29.700 0.209 0.000 1.035 797 E HN 0.418 nan 8.360 nan 0.000 0.419 798 P HA -0.114 nan 4.420 nan 0.000 0.226 798 P C 0.412 177.700 177.300 -0.021 0.000 1.153 798 P CA 0.838 63.820 63.100 -0.197 0.000 0.777 798 P CB 0.537 31.830 31.700 -0.679 0.000 0.794 799 E N -0.366 119.854 120.200 0.032 0.000 2.409 799 E HA -0.056 4.294 4.350 0.001 0.000 0.198 799 E C 1.950 178.581 176.600 0.052 0.000 1.024 799 E CA 0.356 56.785 56.400 0.048 0.000 0.861 799 E CB -0.894 28.849 29.700 0.071 0.000 0.788 799 E HN 0.096 nan 8.360 nan 0.000 0.521 800 V N 0.386 120.339 119.914 0.066 0.000 2.379 800 V HA -0.217 3.904 4.120 0.001 0.000 0.245 800 V C 2.055 178.097 176.094 -0.088 0.000 1.044 800 V CA 1.316 63.614 62.300 -0.003 0.000 1.036 800 V CB -0.349 31.462 31.823 -0.019 0.000 0.664 800 V HN 0.287 nan 8.190 nan 0.000 0.453 801 L N 0.797 121.954 121.223 -0.110 0.000 2.046 801 L HA -0.165 4.175 4.340 0.001 0.000 0.208 801 L C 2.720 179.578 176.870 -0.021 0.000 1.077 801 L CA 1.959 56.744 54.840 -0.091 0.000 0.747 801 L CB -0.752 41.285 42.059 -0.037 0.000 0.896 801 L HN 0.542 nan 8.230 nan 0.000 0.432 802 S N -1.934 113.769 115.700 0.005 0.000 2.402 802 S HA -0.143 4.328 4.470 0.001 0.000 0.229 802 S C 1.907 176.525 174.600 0.030 0.000 1.021 802 S CA 1.419 59.635 58.200 0.027 0.000 0.974 802 S CB -0.655 62.566 63.200 0.034 0.000 0.800 802 S HN 0.338 nan 8.310 nan 0.000 0.484 803 T N 2.787 117.355 114.554 0.023 0.000 2.777 803 T HA 0.089 4.439 4.350 0.001 0.000 0.266 803 T C 1.897 176.613 174.700 0.026 0.000 1.040 803 T CA 1.355 63.473 62.100 0.030 0.000 1.141 803 T CB -0.314 68.570 68.868 0.027 0.000 0.868 803 T HN 0.247 nan 8.240 nan 0.000 0.444 804 M N 1.323 120.930 119.600 0.011 0.000 2.108 804 M HA 0.001 4.481 4.480 0.001 0.000 0.261 804 M C 2.783 179.104 176.300 0.035 0.000 1.066 804 M CA 1.387 56.698 55.300 0.019 0.000 1.107 804 M CB -1.508 31.098 32.600 0.009 0.000 1.356 804 M HN 0.314 nan 8.290 nan 0.000 0.406 805 A N 0.397 123.239 122.820 0.038 0.000 1.902 805 A HA -0.128 4.192 4.320 0.001 0.000 0.217 805 A C 2.265 179.879 177.584 0.050 0.000 1.181 805 A CA 1.359 53.429 52.037 0.054 0.000 0.623 805 A CB -0.813 18.222 19.000 0.059 0.000 0.818 805 A HN 0.458 nan 8.150 nan 0.000 0.443 806 I N 0.530 121.124 120.570 0.040 0.000 2.226 806 I HA -0.266 3.905 4.170 0.001 0.000 0.245 806 I C 2.524 178.649 176.117 0.014 0.000 1.100 806 I CA 1.844 63.162 61.300 0.031 0.000 1.374 806 I CB -0.434 37.587 38.000 0.034 0.000 1.057 806 I HN 0.585 nan 8.210 nan 0.000 0.413 807 I N -1.519 119.062 120.570 0.017 0.000 2.394 807 I HA -0.143 4.027 4.170 0.001 0.000 0.251 807 I C 2.379 178.493 176.117 -0.006 0.000 1.136 807 I CA 1.171 62.473 61.300 0.003 0.000 1.425 807 I CB -0.570 37.441 38.000 0.018 0.000 1.079 807 I HN -0.086 nan 8.210 nan 0.000 0.425 808 V N 2.326 122.247 119.914 0.011 0.000 2.358 808 V HA -0.206 3.914 4.120 0.001 0.000 0.246 808 V C 2.343 178.437 176.094 -0.000 0.000 1.047 808 V CA 2.060 64.368 62.300 0.014 0.000 1.035 808 V CB -1.120 30.727 31.823 0.041 0.000 0.658 808 V HN 0.493 nan 8.190 nan 0.000 0.452 809 N N 0.056 118.764 118.700 0.012 0.000 2.381 809 N HA -0.144 4.596 4.740 0.001 0.000 0.182 809 N C 1.808 177.196 175.510 -0.203 0.000 1.025 809 N CA 1.104 54.121 53.050 -0.054 0.000 0.888 809 N CB -0.060 38.450 38.487 0.038 0.000 0.965 809 N HN 0.409 nan 8.380 nan 0.000 0.438 810 K N 0.607 120.936 120.400 -0.118 0.000 2.202 810 K HA 0.228 4.548 4.320 0.001 0.000 0.201 810 K C 1.746 178.282 176.600 -0.107 0.000 1.051 810 K CA 0.463 56.680 56.287 -0.117 0.000 0.977 810 K CB 0.152 32.604 32.500 -0.080 0.000 0.792 810 K HN 0.028 nan 8.250 nan 0.000 0.469 811 L N -0.711 120.469 121.223 -0.072 0.000 2.463 811 L HA 0.299 4.640 4.340 0.001 0.000 0.219 811 L C 1.538 178.408 176.870 -0.001 0.000 1.088 811 L CA 0.213 55.049 54.840 -0.005 0.000 0.849 811 L CB -0.726 41.335 42.059 0.003 0.000 1.012 811 L HN 0.425 nan 8.230 nan 0.000 0.468 812 G N 1.383 110.141 108.800 -0.069 0.000 2.685 812 G HA2 -0.419 3.541 3.960 0.001 0.000 0.329 812 G HA3 -0.419 3.541 3.960 0.001 0.000 0.329 812 G C 1.037 175.894 174.900 -0.072 0.000 1.271 812 G CA 0.386 45.452 45.100 -0.057 0.000 1.003 812 G HN 0.389 nan 8.290 nan 0.000 0.549 813 G N -1.294 107.421 108.800 -0.141 0.000 2.501 813 G HA2 -0.080 3.881 3.960 0.001 0.000 0.220 813 G HA3 -0.080 3.881 3.960 0.001 0.000 0.220 813 G C 1.347 176.126 174.900 -0.202 0.000 1.114 813 G CA 1.617 46.606 45.100 -0.186 0.000 0.757 813 G HN 0.797 nan 8.290 nan 0.000 0.559 814 H N 0.172 119.202 119.070 -0.067 0.000 2.521 814 H HA 0.014 4.570 4.556 0.000 0.000 0.286 814 H C 2.170 177.456 175.328 -0.070 0.000 1.034 814 H CA 1.265 57.270 56.048 -0.071 0.000 1.278 814 H CB 0.199 29.912 29.762 -0.083 0.000 1.386 814 H HN 0.664 nan 8.280 nan 0.000 0.567 815 I N -3.222 117.361 120.570 0.021 0.000 4.050 815 I HA 0.212 4.382 4.170 0.001 0.000 0.327 815 I C 1.127 177.209 176.117 -0.059 0.000 1.473 815 I CA -0.072 61.221 61.300 -0.013 0.000 1.124 815 I CB 0.416 38.411 38.000 -0.008 0.000 1.129 815 I HN -0.271 nan 8.210 nan 0.000 0.428 816 T N 1.770 116.274 114.554 -0.084 0.000 2.737 816 T HA -0.179 4.172 4.350 0.001 0.000 0.269 816 T C 2.075 176.697 174.700 -0.130 0.000 1.040 816 T CA 2.042 64.064 62.100 -0.130 0.000 1.142 816 T CB -0.140 68.647 68.868 -0.136 0.000 0.861 816 T HN 0.622 nan 8.240 nan 0.000 0.456 817 A N 1.339 124.105 122.820 -0.090 0.000 2.125 817 A HA -0.078 4.242 4.320 0.001 0.000 0.219 817 A C 2.160 179.702 177.584 -0.069 0.000 1.156 817 A CA 0.989 52.980 52.037 -0.076 0.000 0.671 817 A CB -0.185 18.784 19.000 -0.051 0.000 0.794 817 A HN 0.404 nan 8.150 nan 0.000 0.459 818 E N -0.286 119.875 120.200 -0.065 0.000 2.447 818 E HA 0.021 4.371 4.350 0.001 0.000 0.195 818 E C 1.599 178.160 176.600 -0.066 0.000 1.028 818 E CA -0.018 56.354 56.400 -0.046 0.000 0.876 818 E CB -0.115 29.572 29.700 -0.021 0.000 0.885 818 E HN 0.530 nan 8.360 nan 0.000 0.500 819 I N 1.579 122.065 120.570 -0.139 0.000 2.208 819 I HA -0.176 3.994 4.170 0.001 0.000 0.245 819 I C -0.583 175.401 176.117 -0.221 0.000 1.097 819 I CA 1.121 62.276 61.300 -0.241 0.000 1.363 819 I CB -2.419 35.309 38.000 -0.452 0.000 1.051 819 I HN -0.004 nan 8.210 nan 0.000 0.413 820 P HA -0.217 nan 4.420 nan 0.000 0.215 820 P C 1.881 179.198 177.300 0.028 0.000 1.157 820 P CA 1.559 64.611 63.100 -0.081 0.000 0.874 820 P CB -0.143 31.516 31.700 -0.068 0.000 0.790 821 Q N -0.414 119.398 119.800 0.021 0.000 2.084 821 Q HA -0.169 4.172 4.340 0.001 0.000 0.202 821 Q C 2.036 178.097 176.000 0.101 0.000 0.978 821 Q CA 1.498 57.335 55.803 0.056 0.000 0.844 821 Q CB -0.535 28.223 28.738 0.034 0.000 0.898 821 Q HN 0.211 nan 8.270 nan 0.000 0.426 822 I N -0.024 120.613 120.570 0.112 0.000 2.252 822 I HA -0.233 3.937 4.170 0.001 0.000 0.245 822 I C 1.906 178.208 176.117 0.309 0.000 1.102 822 I CA 0.756 62.158 61.300 0.170 0.000 1.385 822 I CB -0.265 37.830 38.000 0.159 0.000 1.064 822 I HN 0.183 nan 8.210 nan 0.000 0.414 823 F N 1.333 121.315 119.950 0.053 0.000 2.171 823 F HA -0.217 4.311 4.527 0.000 0.000 0.300 823 F C 2.314 178.203 175.800 0.148 0.000 1.090 823 F CA 1.205 59.272 58.000 0.111 0.000 1.293 823 F CB -0.800 38.210 39.000 0.015 0.000 1.013 823 F HN 0.135 nan 8.300 nan 0.000 0.486 824 D N -0.353 120.216 120.400 0.282 0.000 2.218 824 D HA -0.116 4.524 4.640 0.001 0.000 0.204 824 D C 2.236 178.638 176.300 0.170 0.000 0.976 824 D CA 1.296 55.412 54.000 0.192 0.000 0.853 824 D CB -0.179 40.702 40.800 0.135 0.000 0.939 824 D HN 0.285 nan 8.370 nan 0.000 0.481 825 A N 0.286 123.209 122.820 0.171 0.000 1.943 825 A HA 0.020 4.340 4.320 0.001 0.000 0.213 825 A C 2.160 179.862 177.584 0.196 0.000 1.181 825 A CA 1.086 53.220 52.037 0.162 0.000 0.653 825 A CB 0.100 19.183 19.000 0.139 0.000 0.833 825 A HN 0.206 nan 8.150 nan 0.000 0.451 826 V N -5.001 115.002 119.914 0.149 0.000 3.604 826 V HA 0.307 4.428 4.120 0.001 0.000 0.277 826 V C 1.769 177.922 176.094 0.098 0.000 1.399 826 V CA 0.439 62.800 62.300 0.102 0.000 1.034 826 V CB -0.680 31.013 31.823 -0.217 0.000 0.824 826 V HN 0.230 nan 8.190 nan 0.000 0.439 827 F N 2.674 122.586 119.950 -0.064 0.000 2.014 827 F HA 0.003 4.531 4.527 0.001 0.000 0.295 827 F C 2.492 178.303 175.800 0.019 0.000 1.145 827 F CA 2.686 60.617 58.000 -0.115 0.000 1.178 827 F CB -0.153 38.643 39.000 -0.340 0.000 0.972 827 F HN 0.159 nan 8.300 nan 0.000 0.476 828 E N -0.206 120.053 120.200 0.099 0.000 2.051 828 E HA -0.269 4.081 4.350 0.001 0.000 0.192 828 E C 2.429 178.951 176.600 -0.131 0.000 0.991 828 E CA 1.734 58.116 56.400 -0.030 0.000 0.799 828 E CB -0.809 28.941 29.700 0.084 0.000 0.748 828 E HN 0.653 nan 8.360 nan 0.000 0.449 829 C N 0.763 120.031 119.300 -0.054 0.000 2.401 829 C HA -0.116 4.345 4.460 0.001 0.000 0.276 829 C C 2.771 177.651 174.990 -0.183 0.000 1.233 829 C CA 1.058 60.019 59.018 -0.096 0.000 1.753 829 C CB -1.314 26.402 27.740 -0.040 0.000 2.029 829 C HN 0.258 nan 8.230 nan 0.000 0.478 830 T N 1.565 116.032 114.554 -0.144 0.000 2.737 830 T HA -0.089 4.262 4.350 0.001 0.000 0.265 830 T C 1.722 176.084 174.700 -0.564 0.000 1.038 830 T CA 1.595 63.552 62.100 -0.238 0.000 1.144 830 T CB -0.474 68.375 68.868 -0.031 0.000 0.866 830 T HN 0.501 nan 8.240 nan 0.000 0.434 831 L N 2.342 123.111 121.223 -0.758 0.000 2.013 831 L HA -0.109 4.231 4.340 0.001 0.000 0.212 831 L C 1.869 178.345 176.870 -0.656 0.000 1.073 831 L CA 1.758 56.003 54.840 -0.992 0.000 0.753 831 L CB -0.858 40.689 42.059 -0.852 0.000 0.890 831 L HN 0.132 nan 8.230 nan 0.000 0.432 832 N N -0.942 117.501 118.700 -0.430 0.000 2.364 832 N HA -0.157 4.583 4.740 0.001 0.000 0.183 832 N C 1.746 177.096 175.510 -0.268 0.000 1.022 832 N CA 1.471 54.338 53.050 -0.305 0.000 0.883 832 N CB -0.254 38.111 38.487 -0.204 0.000 0.965 832 N HN 0.485 nan 8.380 nan 0.000 0.438 833 M N -0.139 119.273 119.600 -0.314 0.000 2.388 833 M HA 0.075 4.555 4.480 0.001 0.000 0.265 833 M C 1.885 178.128 176.300 -0.095 0.000 1.088 833 M CA 0.886 56.055 55.300 -0.220 0.000 1.134 833 M CB 0.092 32.415 32.600 -0.462 0.000 1.384 833 M HN 0.152 nan 8.290 nan 0.000 0.447 834 I N -2.036 118.355 120.570 -0.298 0.000 3.172 834 I HA 0.039 4.209 4.170 0.001 0.000 0.278 834 I C 1.551 177.430 176.117 -0.396 0.000 1.174 834 I CA 0.493 61.636 61.300 -0.263 0.000 1.445 834 I CB -0.696 37.076 38.000 -0.380 0.000 1.175 834 I HN 0.176 nan 8.210 nan 0.000 0.447 835 N N 1.844 120.079 118.700 -0.774 0.000 2.635 835 N HA -0.132 4.608 4.740 0.001 0.000 0.191 835 N C 0.185 175.570 175.510 -0.209 0.000 1.155 835 N CA 0.725 53.165 53.050 -1.016 0.000 0.927 835 N CB -0.554 37.279 38.487 -1.090 0.000 0.976 835 N HN 0.283 nan 8.380 nan 0.000 0.448 836 K N 2.374 122.743 120.400 -0.052 0.000 2.262 836 K HA -0.003 4.317 4.320 0.001 0.000 0.288 836 K C 0.701 177.460 176.600 0.266 0.000 1.090 836 K CA -0.034 56.313 56.287 0.099 0.000 0.918 836 K CB 0.450 32.998 32.500 0.079 0.000 1.139 836 K HN 0.339 nan 8.250 nan 0.000 0.462 837 D N 1.982 122.583 120.400 0.334 0.000 4.047 837 D HA -0.323 4.317 4.640 0.001 0.000 0.199 837 D C 0.616 177.141 176.300 0.375 0.000 1.319 837 D CA 1.303 55.529 54.000 0.378 0.000 0.865 837 D CB -0.720 40.234 40.800 0.257 0.000 0.911 837 D HN 0.342 nan 8.370 nan 0.000 0.579 838 F N 2.575 122.601 119.950 0.128 0.000 2.593 838 F HA -0.010 4.517 4.527 0.001 0.000 0.393 838 F C 0.805 176.666 175.800 0.101 0.000 1.037 838 F CA -0.167 57.883 58.000 0.083 0.000 1.195 838 F CB 0.185 39.204 39.000 0.032 0.000 1.034 838 F HN -0.120 nan 8.300 nan 0.000 0.552 839 E N 5.509 125.603 120.200 -0.177 0.000 2.574 839 E HA -0.070 4.281 4.350 0.001 0.000 0.306 839 E C 0.013 176.504 176.600 -0.182 0.000 1.166 839 E CA 0.358 56.694 56.400 -0.106 0.000 1.263 839 E CB -0.629 28.994 29.700 -0.128 0.000 1.078 839 E HN 0.667 nan 8.360 nan 0.000 0.481 840 E N 0.005 120.158 120.200 -0.079 0.000 2.222 840 E HA 0.211 4.562 4.350 0.001 0.000 0.272 840 E C -0.431 176.124 176.600 -0.076 0.000 0.982 840 E CA -1.009 55.269 56.400 -0.204 0.000 0.842 840 E CB 0.873 30.423 29.700 -0.251 0.000 1.144 840 E HN 0.262 nan 8.360 nan 0.000 0.397 841 Y N -0.683 119.662 120.300 0.074 0.000 3.108 841 Y HA -0.196 4.354 4.550 0.001 0.000 0.208 841 Y C -1.496 174.512 175.900 0.180 0.000 1.245 841 Y CA -0.200 58.005 58.100 0.176 0.000 1.171 841 Y CB -1.307 37.175 38.460 0.037 0.000 1.331 841 Y HN 0.584 nan 8.280 nan 0.000 0.534 842 P HA -0.212 nan 4.420 nan 0.000 0.221 842 P C 1.187 178.587 177.300 0.167 0.000 1.145 842 P CA 1.904 65.098 63.100 0.157 0.000 0.795 842 P CB 0.293 32.044 31.700 0.085 0.000 0.775 843 E N -1.027 119.272 120.200 0.164 0.000 2.122 843 E HA -0.139 4.211 4.350 0.001 0.000 0.190 843 E C 2.141 178.780 176.600 0.065 0.000 0.977 843 E CA 0.413 56.858 56.400 0.077 0.000 0.820 843 E CB -0.169 29.527 29.700 -0.006 0.000 0.770 843 E HN 0.343 nan 8.360 nan 0.000 0.462 844 H N 0.187 119.344 119.070 0.145 0.000 2.353 844 H HA -0.108 4.448 4.556 0.001 0.000 0.300 844 H C 2.312 177.700 175.328 0.099 0.000 1.090 844 H CA 1.523 57.640 56.048 0.115 0.000 1.327 844 H CB -0.110 29.695 29.762 0.072 0.000 1.383 844 H HN 0.136 nan 8.280 nan 0.000 0.508 845 R N 0.694 121.334 120.500 0.233 0.000 2.080 845 R HA -0.140 4.200 4.340 0.001 0.000 0.236 845 R C 2.203 178.687 176.300 0.306 0.000 1.137 845 R CA 2.116 58.331 56.100 0.191 0.000 0.943 845 R CB -0.245 30.199 30.300 0.240 0.000 0.846 845 R HN 0.148 nan 8.270 nan 0.000 0.431 846 T N 1.251 115.964 114.554 0.265 0.000 2.684 846 T HA -0.099 4.251 4.350 0.001 0.000 0.267 846 T C 1.491 176.333 174.700 0.236 0.000 1.036 846 T CA 1.686 63.943 62.100 0.261 0.000 1.148 846 T CB -0.347 68.622 68.868 0.168 0.000 0.863 846 T HN 0.374 nan 8.240 nan 0.000 0.436 847 N N 0.694 119.494 118.700 0.165 0.000 2.244 847 N HA 0.002 4.742 4.740 0.001 0.000 0.183 847 N C 1.444 177.020 175.510 0.111 0.000 1.016 847 N CA 0.532 53.653 53.050 0.118 0.000 0.866 847 N CB -0.589 37.936 38.487 0.064 0.000 0.980 847 N HN 0.373 nan 8.380 nan 0.000 0.430 848 F N 0.695 120.602 119.950 -0.070 0.000 2.069 848 F HA -0.135 4.393 4.527 0.000 0.000 0.298 848 F C 1.741 177.404 175.800 -0.228 0.000 1.113 848 F CA 1.477 59.325 58.000 -0.253 0.000 1.214 848 F CB -0.444 38.252 39.000 -0.507 0.000 0.978 848 F HN -0.069 nan 8.300 nan 0.000 0.474 849 F N -0.156 119.926 119.950 0.219 0.000 2.407 849 F HA -0.075 4.452 4.527 0.001 0.000 0.299 849 F C 2.104 177.953 175.800 0.080 0.000 1.097 849 F CA 0.467 58.547 58.000 0.133 0.000 1.422 849 F CB -0.397 38.740 39.000 0.229 0.000 1.067 849 F HN -0.034 nan 8.300 nan 0.000 0.539 850 L N -0.636 120.718 121.223 0.217 0.000 2.056 850 L HA -0.204 4.137 4.340 0.001 0.000 0.207 850 L C 2.427 179.363 176.870 0.111 0.000 1.078 850 L CA 0.697 55.630 54.840 0.155 0.000 0.749 850 L CB -0.556 41.576 42.059 0.123 0.000 0.901 850 L HN 0.202 nan 8.230 nan 0.000 0.433 851 L N -0.260 120.992 121.223 0.049 0.000 2.027 851 L HA -0.198 4.142 4.340 0.001 0.000 0.206 851 L C 2.311 179.238 176.870 0.094 0.000 1.074 851 L CA 1.597 56.461 54.840 0.041 0.000 0.745 851 L CB -0.562 41.478 42.059 -0.031 0.000 0.898 851 L HN 0.068 nan 8.230 nan 0.000 0.433 852 L N -0.373 120.873 121.223 0.038 0.000 2.042 852 L HA -0.259 4.082 4.340 0.001 0.000 0.210 852 L C 2.662 179.703 176.870 0.285 0.000 1.076 852 L CA 2.121 57.083 54.840 0.204 0.000 0.749 852 L CB -0.677 41.465 42.059 0.139 0.000 0.893 852 L HN 0.563 nan 8.230 nan 0.000 0.432 853 Q N -1.391 118.544 119.800 0.225 0.000 2.079 853 Q HA -0.189 4.152 4.340 0.001 0.000 0.200 853 Q C 2.178 178.256 176.000 0.129 0.000 0.974 853 Q CA 1.495 57.413 55.803 0.191 0.000 0.840 853 Q CB -0.150 28.689 28.738 0.168 0.000 0.898 853 Q HN 0.630 nan 8.270 nan 0.000 0.430 854 A N -0.011 122.885 122.820 0.128 0.000 1.851 854 A HA -0.196 4.124 4.320 0.001 0.000 0.216 854 A C 2.214 179.841 177.584 0.072 0.000 1.195 854 A CA 1.872 53.986 52.037 0.129 0.000 0.622 854 A CB -1.080 17.997 19.000 0.129 0.000 0.831 854 A HN 0.306 nan 8.150 nan 0.000 0.444 855 V N 0.889 120.822 119.914 0.033 0.000 2.287 855 V HA -0.304 3.816 4.120 0.001 0.000 0.248 855 V C 2.471 178.419 176.094 -0.242 0.000 1.053 855 V CA 2.481 64.688 62.300 -0.155 0.000 1.027 855 V CB -1.257 30.419 31.823 -0.245 0.000 0.646 855 V HN 0.768 nan 8.190 nan 0.000 0.447 856 N N 0.313 118.988 118.700 -0.041 0.000 2.104 856 N HA -0.174 4.566 4.740 0.001 0.000 0.190 856 N C 1.894 177.438 175.510 0.055 0.000 1.024 856 N CA 2.122 55.280 53.050 0.179 0.000 0.853 856 N CB -0.253 38.477 38.487 0.405 0.000 1.008 856 N HN 0.415 nan 8.380 nan 0.000 0.424 857 S N -1.367 114.278 115.700 -0.092 0.000 2.387 857 S HA -0.014 4.457 4.470 0.001 0.000 0.226 857 S C 1.019 175.302 174.600 -0.528 0.000 1.026 857 S CA 0.763 58.753 58.200 -0.350 0.000 0.972 857 S CB -0.201 62.678 63.200 -0.536 0.000 0.814 857 S HN 0.540 nan 8.310 nan 0.000 0.477 858 H N -2.036 117.021 119.070 -0.022 0.000 3.046 858 H HA 0.377 4.933 4.556 0.000 0.000 0.262 858 H C 0.016 175.294 175.328 -0.083 0.000 1.044 858 H CA -0.061 55.959 56.048 -0.047 0.000 1.209 858 H CB 0.331 30.067 29.762 -0.043 0.000 1.507 858 H HN 0.300 nan 8.280 nan 0.000 0.507 859 C N 1.634 120.902 119.300 -0.053 0.000 2.887 859 C HA 0.127 4.588 4.460 0.001 0.000 0.240 859 C C 1.789 176.602 174.990 -0.294 0.000 1.872 859 C CA -0.897 58.024 59.018 -0.161 0.000 1.626 859 C CB -1.690 25.922 27.740 -0.212 0.000 3.115 859 C HN 0.330 nan 8.230 nan 0.000 0.488 860 F N 3.553 123.315 119.950 -0.313 0.000 2.063 860 F HA -0.096 4.431 4.527 0.001 0.000 0.298 860 F C -0.649 174.984 175.800 -0.278 0.000 1.109 860 F CA 1.993 59.800 58.000 -0.322 0.000 1.212 860 F CB -1.308 37.597 39.000 -0.158 0.000 0.973 860 F HN 0.201 nan 8.300 nan 0.000 0.480 861 P HA -0.271 nan 4.420 nan 0.000 0.218 861 P C 1.560 178.639 177.300 -0.368 0.000 1.150 861 P CA 2.480 65.412 63.100 -0.279 0.000 0.841 861 P CB -0.420 31.195 31.700 -0.141 0.000 0.784 862 A N -1.414 121.159 122.820 -0.411 0.000 1.948 862 A HA -0.215 4.106 4.320 0.001 0.000 0.220 862 A C 2.056 179.432 177.584 -0.346 0.000 1.177 862 A CA 1.448 53.244 52.037 -0.401 0.000 0.636 862 A CB -1.880 16.816 19.000 -0.506 0.000 0.815 862 A HN 0.200 nan 8.150 nan 0.000 0.449 863 F N -0.402 119.242 119.950 -0.510 0.000 2.333 863 F HA -0.117 4.410 4.527 0.000 0.000 0.300 863 F C 1.791 177.198 175.800 -0.655 0.000 1.083 863 F CA 0.435 58.132 58.000 -0.505 0.000 1.395 863 F CB -0.069 38.572 39.000 -0.598 0.000 1.056 863 F HN 0.179 nan 8.300 nan 0.000 0.529 864 L N -1.345 119.636 121.223 -0.405 0.000 2.416 864 L HA 0.093 4.433 4.340 0.001 0.000 0.216 864 L C 2.503 179.245 176.870 -0.214 0.000 1.098 864 L CA 0.475 55.098 54.840 -0.362 0.000 0.840 864 L CB -0.592 41.282 42.059 -0.309 0.000 0.981 864 L HN 0.007 nan 8.230 nan 0.000 0.462 865 A N 1.255 123.961 122.820 -0.189 0.000 1.898 865 A HA 0.056 4.376 4.320 0.001 0.000 0.214 865 A C 1.377 178.908 177.584 -0.087 0.000 1.183 865 A CA 0.155 52.114 52.037 -0.131 0.000 0.622 865 A CB -0.478 18.436 19.000 -0.142 0.000 0.824 865 A HN 0.359 nan 8.150 nan 0.000 0.444 866 I N -1.536 118.987 120.570 -0.078 0.000 3.112 866 I HA 0.217 4.387 4.170 0.001 0.000 0.284 866 I C -2.285 173.846 176.117 0.023 0.000 1.227 866 I CA -1.767 59.525 61.300 -0.013 0.000 1.369 866 I CB -0.168 37.850 38.000 0.030 0.000 1.376 866 I HN 0.037 nan 8.210 nan 0.000 0.608 867 P HA 0.129 nan 4.420 nan 0.000 0.271 867 P C -2.086 175.284 177.300 0.116 0.000 1.216 867 P CA -1.312 61.827 63.100 0.066 0.000 0.771 867 P CB 0.162 31.901 31.700 0.065 0.000 0.864 868 P HA -0.250 nan 4.420 nan 0.000 0.218 868 P C 1.392 178.828 177.300 0.227 0.000 1.152 868 P CA 2.195 65.418 63.100 0.205 0.000 0.857 868 P CB -0.730 31.060 31.700 0.150 0.000 0.787 869 T N -2.757 111.888 114.554 0.152 0.000 2.821 869 T HA -0.191 4.160 4.350 0.001 0.000 0.267 869 T C 2.149 176.926 174.700 0.128 0.000 1.046 869 T CA 1.169 63.349 62.100 0.132 0.000 1.139 869 T CB -0.908 68.019 68.868 0.098 0.000 0.871 869 T HN 0.189 nan 8.240 nan 0.000 0.454 870 Q N -0.544 119.332 119.800 0.128 0.000 2.123 870 Q HA 0.025 4.366 4.340 0.001 0.000 0.199 870 Q C 1.941 177.977 176.000 0.060 0.000 0.966 870 Q CA 0.874 56.734 55.803 0.094 0.000 0.845 870 Q CB -0.273 28.522 28.738 0.095 0.000 0.907 870 Q HN 0.549 nan 8.270 nan 0.000 0.439 871 F N 1.537 121.475 119.950 -0.019 0.000 2.269 871 F HA -0.131 4.396 4.527 0.001 0.000 0.301 871 F C 2.016 177.781 175.800 -0.058 0.000 1.082 871 F CA 1.435 59.389 58.000 -0.078 0.000 1.360 871 F CB -0.025 38.965 39.000 -0.016 0.000 1.041 871 F HN -0.053 nan 8.300 nan 0.000 0.512 872 K N 0.168 120.553 120.400 -0.024 0.000 2.155 872 K HA -0.082 4.238 4.320 0.001 0.000 0.203 872 K C 2.060 178.609 176.600 -0.084 0.000 1.052 872 K CA 1.073 57.329 56.287 -0.052 0.000 0.948 872 K CB -0.158 32.442 32.500 0.167 0.000 0.728 872 K HN 0.370 nan 8.250 nan 0.000 0.448 873 L N 0.469 121.692 121.223 -0.000 0.000 2.217 873 L HA -0.125 4.215 4.340 0.001 0.000 0.211 873 L C 2.226 179.191 176.870 0.159 0.000 1.107 873 L CA 0.425 55.337 54.840 0.120 0.000 0.783 873 L CB -0.183 42.040 42.059 0.273 0.000 0.919 873 L HN 0.017 nan 8.230 nan 0.000 0.442 874 V N 0.034 119.907 119.914 -0.068 0.000 2.295 874 V HA -0.298 3.822 4.120 0.001 0.000 0.246 874 V C 2.388 178.399 176.094 -0.139 0.000 1.049 874 V CA 1.637 63.875 62.300 -0.103 0.000 1.024 874 V CB -0.290 31.210 31.823 -0.538 0.000 0.648 874 V HN 0.267 nan 8.190 nan 0.000 0.447 875 L N -0.183 120.805 121.223 -0.392 0.000 2.056 875 L HA -0.151 4.190 4.340 0.001 0.000 0.207 875 L C 2.208 179.016 176.870 -0.103 0.000 1.078 875 L CA 1.824 56.482 54.840 -0.304 0.000 0.749 875 L CB -0.845 40.880 42.059 -0.556 0.000 0.901 875 L HN 0.305 nan 8.230 nan 0.000 0.433 876 D N -0.867 119.496 120.400 -0.061 0.000 2.133 876 D HA -0.192 4.448 4.640 0.001 0.000 0.195 876 D C 2.388 178.731 176.300 0.072 0.000 0.997 876 D CA 1.741 55.738 54.000 -0.005 0.000 0.840 876 D CB -0.219 40.594 40.800 0.022 0.000 0.947 876 D HN 0.428 nan 8.370 nan 0.000 0.452 877 S N 0.039 115.838 115.700 0.164 0.000 2.402 877 S HA -0.079 4.391 4.470 0.001 0.000 0.229 877 S C 2.254 177.139 174.600 0.476 0.000 1.021 877 S CA 0.436 58.841 58.200 0.341 0.000 0.974 877 S CB -0.530 62.917 63.200 0.411 0.000 0.800 877 S HN 0.257 nan 8.310 nan 0.000 0.484 878 I N 1.212 121.957 120.570 0.291 0.000 2.252 878 I HA -0.095 4.075 4.170 0.001 0.000 0.245 878 I C 2.403 178.448 176.117 -0.120 0.000 1.102 878 I CA 1.198 62.616 61.300 0.197 0.000 1.385 878 I CB -0.358 37.754 38.000 0.186 0.000 1.064 878 I HN 0.287 nan 8.210 nan 0.000 0.414 879 I N -0.356 120.022 120.570 -0.320 0.000 2.142 879 I HA -0.311 3.859 4.170 0.001 0.000 0.240 879 I C 2.483 178.098 176.117 -0.837 0.000 1.078 879 I CA 1.611 62.297 61.300 -1.025 0.000 1.343 879 I CB -0.472 37.142 38.000 -0.642 0.000 1.046 879 I HN 0.398 nan 8.210 nan 0.000 0.405 880 W N 1.970 123.018 121.300 -0.420 0.000 2.321 880 W HA -0.326 4.334 4.660 0.001 0.000 0.306 880 W C 2.505 178.937 176.519 -0.146 0.000 1.217 880 W CA 2.279 59.499 57.345 -0.208 0.000 1.257 880 W CB -0.220 29.198 29.460 -0.070 0.000 1.145 880 W HN 0.128 nan 8.180 nan 0.000 0.509 881 A N 0.428 123.152 122.820 -0.159 0.000 1.873 881 A HA -0.153 4.168 4.320 0.001 0.000 0.215 881 A C 1.845 179.281 177.584 -0.247 0.000 1.186 881 A CA 1.657 53.461 52.037 -0.389 0.000 0.616 881 A CB -1.740 16.977 19.000 -0.472 0.000 0.823 881 A HN 0.661 nan 8.150 nan 0.000 0.442 882 F N -0.583 119.309 119.950 -0.097 0.000 2.699 882 F HA 0.244 4.771 4.527 0.000 0.000 0.298 882 F C 1.261 177.073 175.800 0.020 0.000 1.154 882 F CA 0.656 58.650 58.000 -0.011 0.000 1.457 882 F CB -0.319 38.715 39.000 0.056 0.000 1.106 882 F HN 0.028 nan 8.300 nan 0.000 0.585 883 K N -0.498 119.885 120.400 -0.028 0.000 2.374 883 K HA 0.022 4.342 4.320 0.001 0.000 0.196 883 K C -0.079 176.493 176.600 -0.047 0.000 1.023 883 K CA -0.179 56.114 56.287 0.009 0.000 1.103 883 K CB -0.213 32.196 32.500 -0.153 0.000 0.848 883 K HN 0.264 nan 8.250 nan 0.000 0.528 884 H N -0.137 118.782 119.070 -0.251 0.000 2.607 884 H HA 0.052 4.608 4.556 0.000 0.000 0.367 884 H C 1.116 176.384 175.328 -0.100 0.000 1.181 884 H CA 0.841 56.699 56.048 -0.317 0.000 1.402 884 H CB 1.244 30.710 29.762 -0.493 0.000 1.474 884 H HN -0.149 nan 8.280 nan 0.000 0.596 885 T N 2.349 116.628 114.554 -0.458 0.000 2.942 885 T HA 0.001 4.352 4.350 0.001 0.000 0.265 885 T C 0.592 175.205 174.700 -0.145 0.000 1.062 885 T CA 0.487 62.433 62.100 -0.257 0.000 1.139 885 T CB 0.083 68.779 68.868 -0.287 0.000 0.883 885 T HN 0.369 nan 8.240 nan 0.000 0.468 886 M N 2.455 122.026 119.600 -0.048 0.000 2.292 886 M HA 0.226 4.706 4.480 0.001 0.000 0.342 886 M C 1.403 177.717 176.300 0.024 0.000 1.538 886 M CA -0.076 55.249 55.300 0.042 0.000 1.163 886 M CB 0.089 32.789 32.600 0.167 0.000 1.823 886 M HN 0.151 nan 8.290 nan 0.000 0.462 887 R N 3.228 123.715 120.500 -0.022 0.000 2.113 887 R HA -0.277 4.064 4.340 0.001 0.000 0.244 887 R C 1.635 177.933 176.300 -0.003 0.000 1.142 887 R CA 2.694 58.780 56.100 -0.023 0.000 0.953 887 R CB -0.165 30.113 30.300 -0.037 0.000 0.860 887 R HN 0.778 nan 8.270 nan 0.000 0.438 888 N N -0.198 118.505 118.700 0.005 0.000 2.061 888 N HA -0.174 4.566 4.740 0.001 0.000 0.193 888 N C 1.645 177.152 175.510 -0.005 0.000 1.030 888 N CA 2.224 55.278 53.050 0.008 0.000 0.856 888 N CB -0.220 38.281 38.487 0.023 0.000 1.023 888 N HN 0.121 nan 8.380 nan 0.000 0.424 889 V N 0.488 120.397 119.914 -0.009 0.000 2.307 889 V HA -0.130 3.990 4.120 0.001 0.000 0.245 889 V C 2.463 178.481 176.094 -0.128 0.000 1.045 889 V CA 1.796 64.038 62.300 -0.097 0.000 1.024 889 V CB -1.287 30.442 31.823 -0.156 0.000 0.651 889 V HN 0.531 nan 8.190 nan 0.000 0.449 890 A N -0.245 122.558 122.820 -0.029 0.000 1.908 890 A HA -0.287 4.034 4.320 0.001 0.000 0.218 890 A C 2.010 179.621 177.584 0.045 0.000 1.181 890 A CA 2.155 54.221 52.037 0.048 0.000 0.627 890 A CB -0.601 18.475 19.000 0.125 0.000 0.818 890 A HN 0.572 nan 8.150 nan 0.000 0.445 891 D N -1.012 119.388 120.400 0.001 0.000 2.269 891 D HA -0.056 4.585 4.640 0.001 0.000 0.208 891 D C 1.755 178.046 176.300 -0.014 0.000 0.963 891 D CA 1.562 55.553 54.000 -0.016 0.000 0.864 891 D CB -0.199 40.583 40.800 -0.031 0.000 0.936 891 D HN 0.446 nan 8.370 nan 0.000 0.505 892 T N -0.175 114.355 114.554 -0.039 0.000 2.857 892 T HA -0.032 4.318 4.350 0.001 0.000 0.266 892 T C 2.011 176.682 174.700 -0.048 0.000 1.048 892 T CA 1.146 63.221 62.100 -0.042 0.000 1.139 892 T CB -0.302 68.517 68.868 -0.083 0.000 0.874 892 T HN 0.186 nan 8.240 nan 0.000 0.455 893 G N 1.486 110.231 108.800 -0.091 0.000 2.402 893 G HA2 -0.078 3.882 3.960 0.001 0.000 0.216 893 G HA3 -0.078 3.882 3.960 0.001 0.000 0.216 893 G C 1.480 176.496 174.900 0.193 0.000 1.162 893 G CA 0.350 45.459 45.100 0.017 0.000 0.777 893 G HN 0.419 nan 8.290 nan 0.000 0.539 894 L N -0.151 121.165 121.223 0.155 0.000 2.056 894 L HA -0.095 4.246 4.340 0.001 0.000 0.207 894 L C 2.966 179.895 176.870 0.098 0.000 1.078 894 L CA 1.508 56.407 54.840 0.097 0.000 0.749 894 L CB -0.467 41.587 42.059 -0.009 0.000 0.901 894 L HN 0.305 nan 8.230 nan 0.000 0.433 895 Q N 0.578 120.418 119.800 0.066 0.000 2.084 895 Q HA -0.215 4.125 4.340 0.001 0.000 0.202 895 Q C 2.319 178.401 176.000 0.137 0.000 0.978 895 Q CA 1.663 57.511 55.803 0.075 0.000 0.844 895 Q CB -0.023 28.737 28.738 0.037 0.000 0.898 895 Q HN 0.510 nan 8.270 nan 0.000 0.426 896 I N 0.415 121.071 120.570 0.143 0.000 2.179 896 I HA -0.275 3.896 4.170 0.001 0.000 0.242 896 I C 2.340 178.567 176.117 0.183 0.000 1.088 896 I CA 0.569 61.976 61.300 0.178 0.000 1.357 896 I CB -0.319 37.812 38.000 0.218 0.000 1.051 896 I HN 0.322 nan 8.210 nan 0.000 0.409 897 L N 0.688 122.029 121.223 0.197 0.000 2.012 897 L HA -0.271 4.070 4.340 0.001 0.000 0.210 897 L C 2.341 179.273 176.870 0.103 0.000 1.073 897 L CA 1.924 56.877 54.840 0.187 0.000 0.748 897 L CB -0.908 41.291 42.059 0.232 0.000 0.891 897 L HN 0.155 nan 8.230 nan 0.000 0.431 898 F N -0.047 119.887 119.950 -0.027 0.000 2.102 898 F HA -0.236 4.291 4.527 0.001 0.000 0.298 898 F C 2.294 177.993 175.800 -0.167 0.000 1.105 898 F CA 2.250 60.172 58.000 -0.130 0.000 1.239 898 F CB -0.638 38.282 39.000 -0.133 0.000 0.991 898 F HN 0.099 nan 8.300 nan 0.000 0.474 899 T N 1.327 115.896 114.554 0.025 0.000 2.777 899 T HA -0.193 4.158 4.350 0.001 0.000 0.266 899 T C 2.099 176.699 174.700 -0.168 0.000 1.040 899 T CA 1.477 63.538 62.100 -0.065 0.000 1.141 899 T CB -0.579 68.314 68.868 0.043 0.000 0.868 899 T HN 0.379 nan 8.240 nan 0.000 0.444 900 L N 0.555 121.749 121.223 -0.047 0.000 2.046 900 L HA -0.004 4.336 4.340 0.001 0.000 0.208 900 L C 2.195 178.957 176.870 -0.180 0.000 1.077 900 L CA 1.291 56.131 54.840 0.001 0.000 0.747 900 L CB -0.322 41.853 42.059 0.193 0.000 0.896 900 L HN 0.240 nan 8.230 nan 0.000 0.432 901 L N -0.534 120.570 121.223 -0.198 0.000 2.046 901 L HA -0.251 4.089 4.340 0.001 0.000 0.208 901 L C 2.721 179.424 176.870 -0.279 0.000 1.077 901 L CA 1.494 56.229 54.840 -0.175 0.000 0.747 901 L CB -0.560 41.364 42.059 -0.225 0.000 0.896 901 L HN 0.398 nan 8.230 nan 0.000 0.432 902 Q N -0.372 119.116 119.800 -0.521 0.000 2.079 902 Q HA -0.166 4.174 4.340 0.001 0.000 0.200 902 Q C 2.049 177.842 176.000 -0.344 0.000 0.974 902 Q CA 1.274 56.828 55.803 -0.416 0.000 0.840 902 Q CB -0.103 28.355 28.738 -0.467 0.000 0.898 902 Q HN 0.525 nan 8.270 nan 0.000 0.430 903 N N 0.187 118.576 118.700 -0.518 0.000 2.104 903 N HA -0.133 4.608 4.740 0.001 0.000 0.190 903 N C 1.872 176.868 175.510 -0.855 0.000 1.024 903 N CA 1.053 53.568 53.050 -0.891 0.000 0.853 903 N CB -0.339 37.160 38.487 -1.647 0.000 1.008 903 N HN 0.057 nan 8.380 nan 0.000 0.424 904 V N 1.715 121.284 119.914 -0.575 0.000 2.407 904 V HA -0.182 3.938 4.120 0.001 0.000 0.248 904 V C 2.416 178.434 176.094 -0.128 0.000 1.055 904 V CA 1.671 63.813 62.300 -0.264 0.000 1.049 904 V CB -0.939 30.651 31.823 -0.389 0.000 0.662 904 V HN 0.296 nan 8.190 nan 0.000 0.455 905 A N -0.761 122.032 122.820 -0.044 0.000 2.019 905 A HA -0.205 4.115 4.320 0.001 0.000 0.219 905 A C 2.098 179.683 177.584 0.002 0.000 1.164 905 A CA 1.315 53.396 52.037 0.073 0.000 0.644 905 A CB -0.311 18.776 19.000 0.146 0.000 0.805 905 A HN 0.539 nan 8.150 nan 0.000 0.449 906 Q N 0.113 119.868 119.800 -0.076 0.000 2.432 906 Q HA 0.017 4.357 4.340 0.001 0.000 0.205 906 Q C -0.046 175.935 176.000 -0.032 0.000 0.945 906 Q CA 0.492 56.257 55.803 -0.062 0.000 0.924 906 Q CB 0.130 28.804 28.738 -0.108 0.000 1.016 906 Q HN 0.585 nan 8.270 nan 0.000 0.503 907 E N 1.180 121.367 120.200 -0.022 0.000 2.427 907 E HA 0.083 4.433 4.350 0.001 0.000 0.259 907 E C 0.449 177.046 176.600 -0.005 0.000 1.267 907 E CA -0.151 56.260 56.400 0.019 0.000 1.425 907 E CB 0.242 30.004 29.700 0.103 0.000 1.482 907 E HN 0.350 nan 8.360 nan 0.000 0.460 908 E N 1.112 121.312 120.200 -0.001 0.000 2.113 908 E HA -0.323 4.027 4.350 0.001 0.000 0.210 908 E C 1.844 178.442 176.600 -0.004 0.000 1.040 908 E CA 1.960 58.363 56.400 0.005 0.000 0.847 908 E CB -0.065 29.642 29.700 0.012 0.000 0.755 908 E HN 0.378 nan 8.360 nan 0.000 0.459 909 A N 1.343 124.159 122.820 -0.007 0.000 1.851 909 A HA -0.148 4.173 4.320 0.001 0.000 0.216 909 A C 2.391 179.964 177.584 -0.017 0.000 1.195 909 A CA 2.144 54.175 52.037 -0.010 0.000 0.622 909 A CB -0.792 18.200 19.000 -0.013 0.000 0.831 909 A HN 0.329 nan 8.150 nan 0.000 0.444 910 A N -0.817 121.988 122.820 -0.024 0.000 2.119 910 A HA 0.379 4.700 4.320 0.001 0.000 0.216 910 A C 2.337 179.893 177.584 -0.046 0.000 1.152 910 A CA 1.458 53.479 52.037 -0.027 0.000 0.708 910 A CB -0.812 18.165 19.000 -0.039 0.000 0.805 910 A HN 1.026 nan 8.150 nan 0.000 0.460 911 A N -0.305 122.452 122.820 -0.105 0.000 1.859 911 A HA -0.264 4.056 4.320 0.001 0.000 0.217 911 A C 2.096 179.389 177.584 -0.486 0.000 1.198 911 A CA 1.887 53.733 52.037 -0.318 0.000 0.629 911 A CB -0.566 18.301 19.000 -0.223 0.000 0.830 911 A HN 0.460 nan 8.150 nan 0.000 0.446 912 Q N 0.271 119.969 119.800 -0.169 0.000 2.096 912 Q HA -0.139 4.202 4.340 0.001 0.000 0.204 912 Q C 2.473 178.490 176.000 0.028 0.000 0.982 912 Q CA 1.909 57.712 55.803 0.000 0.000 0.850 912 Q CB -0.915 27.856 28.738 0.055 0.000 0.901 912 Q HN 0.724 nan 8.270 nan 0.000 0.422 913 S N 0.861 116.573 115.700 0.019 0.000 2.370 913 S HA -0.139 4.331 4.470 0.001 0.000 0.226 913 S C 1.653 176.317 174.600 0.106 0.000 1.033 913 S CA 1.153 59.383 58.200 0.050 0.000 1.011 913 S CB -0.516 62.711 63.200 0.046 0.000 0.852 913 S HN 0.370 nan 8.310 nan 0.000 0.457 914 F N 1.743 121.691 119.950 -0.003 0.000 2.069 914 F HA -0.167 4.360 4.527 0.001 0.000 0.298 914 F C 2.070 178.036 175.800 0.277 0.000 1.113 914 F CA 1.302 59.405 58.000 0.170 0.000 1.214 914 F CB -0.707 38.347 39.000 0.089 0.000 0.978 914 F HN 0.206 nan 8.300 nan 0.000 0.474 915 Y N -0.400 120.112 120.300 0.353 0.000 2.081 915 Y HA -0.367 4.183 4.550 0.000 0.000 0.280 915 Y C 2.704 178.653 175.900 0.081 0.000 1.163 915 Y CA 0.926 59.172 58.100 0.243 0.000 1.135 915 Y CB -0.843 37.705 38.460 0.147 0.000 0.970 915 Y HN 0.133 nan 8.280 nan 0.000 0.498 916 Q N 0.301 120.213 119.800 0.186 0.000 2.197 916 Q HA -0.154 4.187 4.340 0.001 0.000 0.207 916 Q C 1.868 177.838 176.000 -0.049 0.000 0.984 916 Q CA 2.422 58.254 55.803 0.048 0.000 0.869 916 Q CB -0.398 28.351 28.738 0.017 0.000 0.906 916 Q HN 0.362 nan 8.270 nan 0.000 0.426 917 T N -1.499 112.965 114.554 -0.151 0.000 3.031 917 T HA 0.071 4.421 4.350 0.001 0.000 0.254 917 T C 0.632 174.965 174.700 -0.613 0.000 1.060 917 T CA 0.915 62.758 62.100 -0.429 0.000 1.135 917 T CB -0.034 68.453 68.868 -0.635 0.000 0.896 917 T HN 0.353 nan 8.240 nan 0.000 0.472 918 Y N -1.275 118.905 120.300 -0.201 0.000 2.452 918 Y HA 0.372 4.922 4.550 0.001 0.000 0.262 918 Y C 1.640 177.498 175.900 -0.070 0.000 1.089 918 Y CA -1.057 56.902 58.100 -0.235 0.000 1.262 918 Y CB -0.002 38.094 38.460 -0.608 0.000 1.236 918 Y HN 0.054 nan 8.280 nan 0.000 0.512 919 F N 0.932 120.909 119.950 0.045 0.000 2.045 919 F HA -0.417 4.111 4.527 0.001 0.000 0.297 919 F C 2.154 177.996 175.800 0.071 0.000 1.114 919 F CA 2.008 60.074 58.000 0.111 0.000 1.207 919 F CB -0.617 38.440 39.000 0.095 0.000 0.964 919 F HN 0.081 nan 8.300 nan 0.000 0.486 920 C N -0.058 119.353 119.300 0.184 0.000 2.422 920 C HA -0.165 4.295 4.460 0.001 0.000 0.279 920 C C 2.631 177.680 174.990 0.098 0.000 1.305 920 C CA 0.988 60.024 59.018 0.029 0.000 1.757 920 C CB -1.183 26.442 27.740 -0.192 0.000 1.962 920 C HN 0.554 nan 8.230 nan 0.000 0.499 921 D N 0.827 121.295 120.400 0.112 0.000 2.084 921 D HA -0.075 4.566 4.640 0.001 0.000 0.194 921 D C 2.004 178.406 176.300 0.171 0.000 0.990 921 D CA 1.208 55.288 54.000 0.134 0.000 0.826 921 D CB -0.187 40.744 40.800 0.218 0.000 0.971 921 D HN 0.440 nan 8.370 nan 0.000 0.453 922 I N 0.687 121.378 120.570 0.202 0.000 2.163 922 I HA -0.284 3.887 4.170 0.001 0.000 0.243 922 I C 2.574 178.781 176.117 0.151 0.000 1.085 922 I CA 0.544 61.986 61.300 0.238 0.000 1.347 922 I CB -0.229 37.858 38.000 0.145 0.000 1.044 922 I HN 0.052 nan 8.210 nan 0.000 0.408 923 L N 0.675 121.899 121.223 0.002 0.000 2.013 923 L HA -0.293 4.048 4.340 0.001 0.000 0.212 923 L C 2.641 179.672 176.870 0.269 0.000 1.073 923 L CA 1.957 56.830 54.840 0.054 0.000 0.753 923 L CB -0.847 41.202 42.059 -0.018 0.000 0.890 923 L HN 0.307 nan 8.230 nan 0.000 0.432 924 Q N -1.221 118.719 119.800 0.234 0.000 2.061 924 Q HA -0.264 4.076 4.340 0.001 0.000 0.204 924 Q C 2.197 178.290 176.000 0.155 0.000 0.984 924 Q CA 2.009 57.918 55.803 0.177 0.000 0.846 924 Q CB -0.353 28.413 28.738 0.048 0.000 0.902 924 Q HN 0.671 nan 8.270 nan 0.000 0.421 925 H N 0.259 119.477 119.070 0.247 0.000 2.353 925 H HA -0.089 4.467 4.556 0.001 0.000 0.300 925 H C 2.294 177.774 175.328 0.253 0.000 1.090 925 H CA 1.278 57.496 56.048 0.283 0.000 1.327 925 H CB -0.022 29.968 29.762 0.381 0.000 1.383 925 H HN 0.252 nan 8.280 nan 0.000 0.508 926 I N 0.275 120.977 120.570 0.219 0.000 2.127 926 I HA -0.268 3.902 4.170 0.001 0.000 0.241 926 I C 2.403 178.432 176.117 -0.148 0.000 1.075 926 I CA 1.138 62.344 61.300 -0.156 0.000 1.334 926 I CB -1.304 36.537 38.000 -0.265 0.000 1.040 926 I HN 0.085 nan 8.210 nan 0.000 0.405 927 F N 1.876 121.839 119.950 0.021 0.000 2.126 927 F HA -0.294 4.234 4.527 0.001 0.000 0.299 927 F C 2.999 178.823 175.800 0.041 0.000 1.096 927 F CA 2.029 60.059 58.000 0.050 0.000 1.255 927 F CB -0.471 38.592 39.000 0.104 0.000 0.997 927 F HN 0.174 nan 8.300 nan 0.000 0.479 928 S N -0.617 115.234 115.700 0.252 0.000 2.419 928 S HA -0.167 4.303 4.470 0.001 0.000 0.235 928 S C 1.867 176.516 174.600 0.082 0.000 1.019 928 S CA 1.496 59.803 58.200 0.178 0.000 0.982 928 S CB -1.083 62.229 63.200 0.185 0.000 0.789 928 S HN 0.171 nan 8.310 nan 0.000 0.490 929 V N 0.979 120.878 119.914 -0.024 0.000 2.446 929 V HA 0.005 4.125 4.120 0.001 0.000 0.244 929 V C 2.607 178.521 176.094 -0.301 0.000 1.039 929 V CA 1.112 63.269 62.300 -0.239 0.000 1.045 929 V CB -0.477 31.143 31.823 -0.337 0.000 0.681 929 V HN 0.439 nan 8.190 nan 0.000 0.459 930 V N -0.147 119.603 119.914 -0.273 0.000 2.407 930 V HA -0.250 3.870 4.120 0.001 0.000 0.248 930 V C 2.586 178.704 176.094 0.041 0.000 1.055 930 V CA 2.567 64.793 62.300 -0.125 0.000 1.049 930 V CB -0.761 30.998 31.823 -0.107 0.000 0.662 930 V HN 0.568 nan 8.190 nan 0.000 0.455 931 T N -1.076 113.548 114.554 0.117 0.000 2.867 931 T HA -0.118 4.232 4.350 0.001 0.000 0.268 931 T C 0.771 175.580 174.700 0.180 0.000 1.057 931 T CA 0.866 63.085 62.100 0.199 0.000 1.136 931 T CB -0.350 68.731 68.868 0.355 0.000 0.874 931 T HN 0.608 nan 8.240 nan 0.000 0.466 932 D N 1.777 122.242 120.400 0.109 0.000 2.533 932 D HA -0.003 4.638 4.640 0.001 0.000 0.236 932 D C -0.161 176.215 176.300 0.127 0.000 1.137 932 D CA 0.450 54.514 54.000 0.107 0.000 0.867 932 D CB 0.571 41.397 40.800 0.043 0.000 1.170 932 D HN 0.068 nan 8.370 nan 0.000 0.474 933 T N 2.877 117.510 114.554 0.132 0.000 2.930 933 T HA 0.133 4.484 4.350 0.001 0.000 0.306 933 T C 0.141 174.911 174.700 0.116 0.000 1.045 933 T CA -0.028 62.138 62.100 0.109 0.000 1.134 933 T CB 0.727 69.653 68.868 0.096 0.000 0.961 933 T HN 0.588 nan 8.240 nan 0.000 0.545 934 S N 2.452 118.212 115.700 0.100 0.000 3.391 934 S HA -0.207 4.263 4.470 0.001 0.000 0.458 934 S C -0.135 174.559 174.600 0.157 0.000 0.812 934 S CA 0.513 58.768 58.200 0.092 0.000 1.366 934 S CB -1.048 62.187 63.200 0.058 0.000 0.943 934 S HN 1.054 nan 8.310 nan 0.000 0.680 935 H N 1.839 120.938 119.070 0.049 0.000 4.107 935 H HA 0.123 4.679 4.556 0.001 0.000 0.215 935 H C 0.764 176.144 175.328 0.086 0.000 1.144 935 H CA 0.468 56.555 56.048 0.064 0.000 1.256 935 H CB -0.428 29.380 29.762 0.076 0.000 3.176 935 H HN 0.433 nan 8.280 nan 0.000 0.546 936 T N 0.114 114.777 114.554 0.180 0.000 3.098 936 T HA 0.087 4.438 4.350 0.001 0.000 0.266 936 T C 1.212 175.994 174.700 0.137 0.000 1.145 936 T CA 0.812 63.005 62.100 0.154 0.000 1.092 936 T CB -0.268 68.647 68.868 0.079 0.000 0.908 936 T HN 0.556 nan 8.240 nan 0.000 0.526 937 A N 0.927 123.811 122.820 0.107 0.000 2.545 937 A HA 0.472 4.793 4.320 0.001 0.000 0.253 937 A C 1.582 179.209 177.584 0.072 0.000 1.074 937 A CA 0.310 52.363 52.037 0.028 0.000 0.760 937 A CB -0.771 18.159 19.000 -0.117 0.000 1.005 937 A HN 0.767 nan 8.150 nan 0.000 0.506 938 G N 1.465 110.221 108.800 -0.073 0.000 2.143 938 G HA2 -0.227 3.734 3.960 0.001 0.000 0.248 938 G HA3 -0.227 3.734 3.960 0.001 0.000 0.248 938 G C 0.677 175.262 174.900 -0.524 0.000 0.991 938 G CA 0.567 45.493 45.100 -0.289 0.000 0.689 938 G HN 1.460 nan 8.290 nan 0.000 0.522 939 L N 0.636 121.765 121.223 -0.157 0.000 2.079 939 L HA 0.025 4.365 4.340 0.001 0.000 0.210 939 L C 2.790 179.628 176.870 -0.052 0.000 1.081 939 L CA 3.307 58.149 54.840 0.002 0.000 0.752 939 L CB -0.700 41.417 42.059 0.096 0.000 0.896 939 L HN 0.304 nan 8.230 nan 0.000 0.433 940 T N -0.758 113.742 114.554 -0.090 0.000 2.788 940 T HA -0.176 4.174 4.350 0.001 0.000 0.268 940 T C 1.891 176.511 174.700 -0.133 0.000 1.044 940 T CA 1.656 63.708 62.100 -0.079 0.000 1.139 940 T CB -0.180 68.638 68.868 -0.083 0.000 0.867 940 T HN 0.195 nan 8.240 nan 0.000 0.454 941 M N 0.506 119.971 119.600 -0.225 0.000 2.200 941 M HA 0.011 4.492 4.480 0.001 0.000 0.265 941 M C 2.141 178.348 176.300 -0.155 0.000 1.066 941 M CA 1.332 56.492 55.300 -0.232 0.000 1.127 941 M CB -1.073 31.370 32.600 -0.262 0.000 1.379 941 M HN 0.289 nan 8.290 nan 0.000 0.420 942 H N 0.022 119.038 119.070 -0.090 0.000 2.353 942 H HA 0.035 4.591 4.556 0.001 0.000 0.300 942 H C 2.101 177.380 175.328 -0.082 0.000 1.090 942 H CA 1.777 57.755 56.048 -0.116 0.000 1.327 942 H CB -0.736 28.966 29.762 -0.100 0.000 1.383 942 H HN 0.353 nan 8.280 nan 0.000 0.508 943 A N 0.200 123.077 122.820 0.095 0.000 1.898 943 A HA -0.165 4.155 4.320 0.001 0.000 0.216 943 A C 2.758 180.203 177.584 -0.231 0.000 1.181 943 A CA 1.777 53.847 52.037 0.054 0.000 0.620 943 A CB -0.745 18.373 19.000 0.195 0.000 0.819 943 A HN 0.390 nan 8.150 nan 0.000 0.442 944 S N -0.559 115.063 115.700 -0.131 0.000 2.368 944 S HA -0.105 4.365 4.470 0.001 0.000 0.225 944 S C 1.875 176.496 174.600 0.036 0.000 1.030 944 S CA 1.472 59.600 58.200 -0.120 0.000 0.999 944 S CB -0.457 62.615 63.200 -0.214 0.000 0.844 944 S HN 0.491 nan 8.310 nan 0.000 0.459 945 I N 0.889 121.500 120.570 0.069 0.000 2.233 945 I HA -0.112 4.059 4.170 0.001 0.000 0.243 945 I C 2.139 178.303 176.117 0.079 0.000 1.093 945 I CA 0.874 62.272 61.300 0.162 0.000 1.380 945 I CB -0.254 37.801 38.000 0.092 0.000 1.067 945 I HN 0.276 nan 8.210 nan 0.000 0.413 946 L N 0.427 121.624 121.223 -0.043 0.000 2.046 946 L HA -0.187 4.153 4.340 0.001 0.000 0.208 946 L C 2.854 179.685 176.870 -0.064 0.000 1.077 946 L CA 1.270 56.125 54.840 0.025 0.000 0.747 946 L CB -0.723 41.393 42.059 0.096 0.000 0.896 946 L HN 0.237 nan 8.230 nan 0.000 0.432 947 A N -0.448 121.976 122.820 -0.661 0.000 1.883 947 A HA -0.313 4.007 4.320 0.001 0.000 0.217 947 A C 2.208 179.719 177.584 -0.120 0.000 1.186 947 A CA 1.848 53.455 52.037 -0.717 0.000 0.624 947 A CB -1.026 17.485 19.000 -0.815 0.000 0.822 947 A HN 0.479 nan 8.150 nan 0.000 0.444 948 Y N 0.073 120.319 120.300 -0.091 0.000 2.128 948 Y HA -0.259 4.292 4.550 0.001 0.000 0.284 948 Y C 2.390 178.310 175.900 0.034 0.000 1.154 948 Y CA 2.349 60.451 58.100 0.004 0.000 1.149 948 Y CB -0.333 38.147 38.460 0.034 0.000 0.976 948 Y HN 0.296 nan 8.280 nan 0.000 0.505 949 M N -1.430 118.244 119.600 0.123 0.000 2.086 949 M HA -0.199 4.281 4.480 0.001 0.000 0.261 949 M C 1.956 178.289 176.300 0.054 0.000 1.067 949 M CA 1.831 57.199 55.300 0.114 0.000 1.116 949 M CB -0.561 32.025 32.600 -0.023 0.000 1.348 949 M HN 0.247 nan 8.290 nan 0.000 0.407 950 F N 0.336 120.256 119.950 -0.049 0.000 2.234 950 F HA -0.177 4.351 4.527 0.001 0.000 0.299 950 F C 2.291 177.997 175.800 -0.156 0.000 1.087 950 F CA 1.397 59.282 58.000 -0.192 0.000 1.340 950 F CB -0.732 38.038 39.000 -0.383 0.000 1.031 950 F HN 0.327 nan 8.300 nan 0.000 0.500 951 N N 0.668 119.377 118.700 0.015 0.000 2.166 951 N HA -0.166 4.574 4.740 0.001 0.000 0.186 951 N C 1.976 177.415 175.510 -0.119 0.000 1.019 951 N CA 0.748 53.773 53.050 -0.043 0.000 0.856 951 N CB -0.081 38.347 38.487 -0.098 0.000 0.993 951 N HN 0.284 nan 8.380 nan 0.000 0.426 952 L N 0.605 121.679 121.223 -0.247 0.000 2.042 952 L HA -0.162 4.178 4.340 0.001 0.000 0.210 952 L C 2.386 179.126 176.870 -0.216 0.000 1.076 952 L CA 0.954 55.618 54.840 -0.292 0.000 0.749 952 L CB -0.388 41.429 42.059 -0.404 0.000 0.893 952 L HN 0.069 nan 8.230 nan 0.000 0.432 953 V N -0.345 119.458 119.914 -0.185 0.000 2.358 953 V HA -0.274 3.846 4.120 0.001 0.000 0.246 953 V C 2.390 178.509 176.094 0.042 0.000 1.047 953 V CA 1.847 64.077 62.300 -0.117 0.000 1.035 953 V CB -0.406 31.377 31.823 -0.068 0.000 0.658 953 V HN 0.474 nan 8.190 nan 0.000 0.452 954 E N 0.154 120.441 120.200 0.146 0.000 2.150 954 E HA -0.209 4.142 4.350 0.001 0.000 0.193 954 E C 1.848 178.486 176.600 0.064 0.000 0.985 954 E CA 1.064 57.575 56.400 0.184 0.000 0.814 954 E CB 0.030 29.902 29.700 0.287 0.000 0.752 954 E HN 0.692 nan 8.360 nan 0.000 0.466 955 E N -0.868 119.339 120.200 0.012 0.000 2.476 955 E HA 0.073 4.423 4.350 0.001 0.000 0.191 955 E C 0.770 177.354 176.600 -0.025 0.000 1.064 955 E CA 0.274 56.667 56.400 -0.011 0.000 0.866 955 E CB 0.464 30.145 29.700 -0.032 0.000 0.952 955 E HN 0.408 nan 8.360 nan 0.000 0.492 956 G N 2.403 111.183 108.800 -0.033 0.000 2.203 956 G HA2 -0.325 3.635 3.960 0.001 0.000 0.263 956 G HA3 -0.325 3.635 3.960 0.001 0.000 0.263 956 G C 1.009 175.878 174.900 -0.052 0.000 1.012 956 G CA 0.503 45.579 45.100 -0.041 0.000 0.749 956 G HN 0.109 nan 8.290 nan 0.000 0.512 957 K N -0.376 119.975 120.400 -0.082 0.000 2.283 957 K HA 0.117 4.437 4.320 0.001 0.000 0.202 957 K C 1.515 178.086 176.600 -0.048 0.000 1.048 957 K CA 0.566 56.818 56.287 -0.057 0.000 0.948 957 K CB 0.078 32.528 32.500 -0.084 0.000 0.742 957 K HN 0.618 nan 8.250 nan 0.000 0.458 958 I N 2.430 122.902 120.570 -0.163 0.000 2.268 958 I HA -0.024 4.146 4.170 0.001 0.000 0.290 958 I C 1.347 177.433 176.117 -0.052 0.000 1.125 958 I CA -0.195 61.018 61.300 -0.146 0.000 1.236 958 I CB 0.593 38.340 38.000 -0.422 0.000 1.469 958 I HN 0.009 nan 8.210 nan 0.000 0.512 959 S N 1.905 117.617 115.700 0.020 0.000 2.383 959 S HA -0.113 4.358 4.470 0.001 0.000 0.227 959 S C 1.263 175.865 174.600 0.004 0.000 1.026 959 S CA 0.524 58.730 58.200 0.010 0.000 0.981 959 S CB -0.262 62.953 63.200 0.025 0.000 0.818 959 S HN 0.624 nan 8.310 nan 0.000 0.472 960 T N 2.130 116.699 114.554 0.025 0.000 2.856 960 T HA 0.241 4.591 4.350 0.001 0.000 0.306 960 T C -0.072 174.613 174.700 -0.025 0.000 1.062 960 T CA -0.113 61.991 62.100 0.007 0.000 1.083 960 T CB 0.658 69.545 68.868 0.031 0.000 0.984 960 T HN 0.330 nan 8.240 nan 0.000 0.542 961 S N 3.979 119.651 115.700 -0.047 0.000 2.400 961 S HA 0.223 4.693 4.470 0.001 0.000 0.295 961 S C 1.686 176.212 174.600 -0.123 0.000 1.113 961 S CA -0.774 57.376 58.200 -0.084 0.000 1.064 961 S CB -0.509 62.635 63.200 -0.094 0.000 0.990 961 S HN 0.661 nan 8.310 nan 0.000 0.502 962 L N 3.536 124.686 121.223 -0.123 0.000 2.089 962 L HA -0.104 4.236 4.340 0.001 0.000 0.213 962 L C 1.589 178.270 176.870 -0.316 0.000 1.079 962 L CA 0.932 55.696 54.840 -0.127 0.000 0.758 962 L CB -0.338 41.738 42.059 0.028 0.000 0.891 962 L HN 0.585 nan 8.230 nan 0.000 0.433 963 N N 0.289 118.627 118.700 -0.603 0.000 2.949 963 N HA 0.107 4.847 4.740 0.001 0.000 0.243 963 N C -1.708 173.576 175.510 -0.376 0.000 1.113 963 N CA -1.800 50.802 53.050 -0.746 0.000 0.980 963 N CB 1.052 38.679 38.487 -1.434 0.000 1.256 963 N HN 0.002 nan 8.380 nan 0.000 0.508 964 P HA -0.085 nan 4.420 nan 0.000 0.219 964 P C 1.299 178.522 177.300 -0.128 0.000 1.146 964 P CA 0.849 63.861 63.100 -0.146 0.000 0.808 964 P CB 0.299 31.936 31.700 -0.104 0.000 0.779 965 G N 0.598 109.314 108.800 -0.141 0.000 2.552 965 G HA2 -0.229 3.731 3.960 0.001 0.000 0.216 965 G HA3 -0.229 3.731 3.960 0.001 0.000 0.216 965 G C 1.129 175.975 174.900 -0.090 0.000 1.240 965 G CA 0.481 45.523 45.100 -0.097 0.000 0.796 965 G HN 0.311 nan 8.290 nan 0.000 0.568 966 N N 1.315 119.943 118.700 -0.120 0.000 3.112 966 N HA 0.266 5.006 4.740 0.001 0.000 0.270 966 N C -2.887 172.553 175.510 -0.116 0.000 1.385 966 N CA -1.424 51.575 53.050 -0.084 0.000 0.986 966 N CB 1.166 39.628 38.487 -0.041 0.000 1.261 966 N HN -0.051 nan 8.380 nan 0.000 0.495 967 P HA -0.023 nan 4.420 nan 0.000 0.252 967 P C -0.294 176.970 177.300 -0.061 0.000 1.183 967 P CA 0.308 63.347 63.100 -0.101 0.000 0.973 967 P CB 0.466 32.121 31.700 -0.075 0.000 0.990 968 V N 2.380 122.262 119.914 -0.053 0.000 3.119 968 V HA 0.371 4.492 4.120 0.001 0.000 0.309 968 V C 0.499 176.599 176.094 0.010 0.000 1.304 968 V CA -1.142 61.155 62.300 -0.005 0.000 1.057 968 V CB 1.071 32.914 31.823 0.034 0.000 1.150 968 V HN 0.229 nan 8.190 nan 0.000 0.474 969 N N 2.021 120.739 118.700 0.031 0.000 2.454 969 N HA 0.075 4.815 4.740 0.001 0.000 0.254 969 N C 0.600 176.161 175.510 0.085 0.000 1.228 969 N CA 0.078 53.148 53.050 0.033 0.000 0.900 969 N CB 0.504 39.001 38.487 0.017 0.000 1.089 969 N HN 0.555 nan 8.380 nan 0.000 0.449 970 N N 1.607 120.347 118.700 0.068 0.000 2.244 970 N HA -0.117 4.623 4.740 0.001 0.000 0.183 970 N C 1.396 176.998 175.510 0.153 0.000 1.016 970 N CA 0.937 54.063 53.050 0.125 0.000 0.866 970 N CB 0.128 38.623 38.487 0.012 0.000 0.980 970 N HN 0.583 nan 8.380 nan 0.000 0.430 971 Q N 0.497 120.352 119.800 0.090 0.000 2.020 971 Q HA -0.046 4.294 4.340 0.001 0.000 0.202 971 Q C 2.199 178.217 176.000 0.030 0.000 0.982 971 Q CA 0.965 56.799 55.803 0.051 0.000 0.838 971 Q CB -0.132 28.559 28.738 -0.079 0.000 0.899 971 Q HN 0.415 nan 8.270 nan 0.000 0.423 972 I N 0.225 120.818 120.570 0.038 0.000 2.163 972 I HA -0.282 3.889 4.170 0.001 0.000 0.243 972 I C 2.336 178.531 176.117 0.129 0.000 1.085 972 I CA 1.213 62.544 61.300 0.053 0.000 1.347 972 I CB -0.399 37.636 38.000 0.058 0.000 1.044 972 I HN 0.140 nan 8.210 nan 0.000 0.408 973 F N 1.546 121.523 119.950 0.046 0.000 2.134 973 F HA -0.227 4.301 4.527 0.001 0.000 0.299 973 F C 2.150 178.038 175.800 0.147 0.000 1.097 973 F CA 1.421 59.465 58.000 0.074 0.000 1.264 973 F CB -0.449 38.569 39.000 0.030 0.000 1.001 973 F HN -0.068 nan 8.300 nan 0.000 0.479 974 L N 0.874 122.013 121.223 -0.140 0.000 2.083 974 L HA -0.196 4.145 4.340 0.001 0.000 0.209 974 L C 2.350 179.269 176.870 0.080 0.000 1.083 974 L CA 1.811 56.574 54.840 -0.129 0.000 0.752 974 L CB -1.140 40.994 42.059 0.124 0.000 0.899 974 L HN 0.306 nan 8.230 nan 0.000 0.433 975 Q N -0.639 119.257 119.800 0.159 0.000 2.030 975 Q HA -0.246 4.094 4.340 0.001 0.000 0.204 975 Q C 2.140 178.180 176.000 0.066 0.000 0.986 975 Q CA 2.210 58.116 55.803 0.171 0.000 0.843 975 Q CB -0.211 28.567 28.738 0.067 0.000 0.904 975 Q HN 0.608 nan 8.270 nan 0.000 0.420 976 E N -0.308 119.905 120.200 0.021 0.000 2.077 976 E HA -0.228 4.123 4.350 0.001 0.000 0.193 976 E C 1.785 178.360 176.600 -0.042 0.000 0.989 976 E CA 1.047 57.451 56.400 0.008 0.000 0.800 976 E CB -0.195 29.539 29.700 0.057 0.000 0.746 976 E HN 0.326 nan 8.360 nan 0.000 0.452 977 Y N 1.377 121.508 120.300 -0.283 0.000 2.097 977 Y HA -0.288 4.262 4.550 0.000 0.000 0.282 977 Y C 2.188 177.982 175.900 -0.177 0.000 1.152 977 Y CA 1.484 59.389 58.100 -0.325 0.000 1.136 977 Y CB -0.391 37.660 38.460 -0.681 0.000 0.975 977 Y HN -0.177 nan 8.280 nan 0.000 0.498 978 V N 0.231 120.062 119.914 -0.138 0.000 2.427 978 V HA -0.268 3.852 4.120 0.001 0.000 0.248 978 V C 2.656 178.613 176.094 -0.228 0.000 1.051 978 V CA 1.516 63.675 62.300 -0.234 0.000 1.048 978 V CB -1.671 30.131 31.823 -0.035 0.000 0.666 978 V HN 0.550 nan 8.190 nan 0.000 0.456 979 A N 0.759 123.514 122.820 -0.109 0.000 1.883 979 A HA -0.262 4.058 4.320 0.001 0.000 0.217 979 A C 2.120 179.645 177.584 -0.099 0.000 1.186 979 A CA 2.238 54.233 52.037 -0.070 0.000 0.624 979 A CB -0.681 18.305 19.000 -0.023 0.000 0.822 979 A HN 0.595 nan 8.150 nan 0.000 0.444 980 N N -0.055 118.564 118.700 -0.136 0.000 2.188 980 N HA -0.056 4.684 4.740 0.001 0.000 0.184 980 N C 1.757 177.160 175.510 -0.177 0.000 1.018 980 N CA 1.182 54.153 53.050 -0.133 0.000 0.858 980 N CB -0.422 37.993 38.487 -0.121 0.000 0.989 980 N HN 0.499 nan 8.380 nan 0.000 0.426 981 L N 1.026 122.073 121.223 -0.294 0.000 2.012 981 L HA -0.166 4.174 4.340 0.001 0.000 0.210 981 L C 2.293 179.082 176.870 -0.136 0.000 1.073 981 L CA 1.106 55.778 54.840 -0.280 0.000 0.748 981 L CB -0.506 41.307 42.059 -0.410 0.000 0.891 981 L HN 0.132 nan 8.230 nan 0.000 0.431 982 L N -0.734 120.421 121.223 -0.113 0.000 2.093 982 L HA -0.212 4.129 4.340 0.001 0.000 0.208 982 L C 2.607 179.536 176.870 0.098 0.000 1.085 982 L CA 1.270 56.145 54.840 0.057 0.000 0.755 982 L CB -0.517 41.552 42.059 0.017 0.000 0.904 982 L HN 0.218 nan 8.230 nan 0.000 0.435 983 K N -0.228 120.170 120.400 -0.005 0.000 2.057 983 K HA -0.109 4.212 4.320 0.001 0.000 0.206 983 K C 2.367 178.940 176.600 -0.045 0.000 1.050 983 K CA 1.517 57.790 56.287 -0.023 0.000 0.935 983 K CB -0.049 32.429 32.500 -0.036 0.000 0.715 983 K HN 0.142 nan 8.250 nan 0.000 0.439 984 S N 0.740 116.399 115.700 -0.067 0.000 2.356 984 S HA -0.155 4.315 4.470 0.001 0.000 0.223 984 S C 2.076 176.585 174.600 -0.152 0.000 1.032 984 S CA 1.362 59.507 58.200 -0.091 0.000 1.005 984 S CB -0.200 62.945 63.200 -0.091 0.000 0.867 984 S HN 0.442 nan 8.310 nan 0.000 0.449 985 A N 0.152 122.855 122.820 -0.195 0.000 2.015 985 A HA 0.161 4.482 4.320 0.001 0.000 0.219 985 A C 0.388 177.402 177.584 -0.949 0.000 1.163 985 A CA 0.864 52.598 52.037 -0.505 0.000 0.646 985 A CB -0.224 18.515 19.000 -0.436 0.000 0.806 985 A HN 0.453 nan 8.150 nan 0.000 0.448 986 F N -0.870 118.993 119.950 -0.144 0.000 2.769 986 F HA 0.306 4.834 4.527 0.001 0.000 0.358 986 F C -1.887 173.701 175.800 -0.354 0.000 1.285 986 F CA -1.917 55.910 58.000 -0.288 0.000 1.199 986 F CB 1.391 40.111 39.000 -0.466 0.000 1.558 986 F HN 0.003 nan 8.300 nan 0.000 0.583 987 P HA -0.195 nan 4.420 nan 0.000 0.231 987 P C 0.847 178.121 177.300 -0.043 0.000 1.158 987 P CA 1.482 64.550 63.100 -0.054 0.000 0.763 987 P CB -0.269 31.424 31.700 -0.011 0.000 0.805 988 H N -2.119 116.943 119.070 -0.014 0.000 2.539 988 H HA 0.281 4.838 4.556 0.001 0.000 0.267 988 H C 0.721 175.898 175.328 -0.253 0.000 0.982 988 H CA -0.426 55.547 56.048 -0.124 0.000 1.146 988 H CB -1.116 28.551 29.762 -0.159 0.000 1.382 988 H HN 0.043 nan 8.280 nan 0.000 0.577 989 L N 1.390 122.375 121.223 -0.398 0.000 2.375 989 L HA 0.237 4.578 4.340 0.001 0.000 0.271 989 L C 0.207 177.006 176.870 -0.119 0.000 1.107 989 L CA -0.518 54.157 54.840 -0.275 0.000 0.806 989 L CB 1.391 43.289 42.059 -0.268 0.000 1.146 989 L HN 0.324 nan 8.230 nan 0.000 0.447 990 Q N 1.615 121.369 119.800 -0.077 0.000 2.286 990 Q HA 0.017 4.357 4.340 0.001 0.000 0.257 990 Q C 0.324 176.318 176.000 -0.011 0.000 0.941 990 Q CA -0.495 55.288 55.803 -0.033 0.000 0.912 990 Q CB 1.556 30.282 28.738 -0.020 0.000 1.192 990 Q HN 0.518 nan 8.270 nan 0.000 0.410 991 D N 2.379 122.775 120.400 -0.006 0.000 2.154 991 D HA -0.253 4.387 4.640 0.001 0.000 0.190 991 D C 1.489 177.798 176.300 0.014 0.000 1.003 991 D CA 1.922 55.924 54.000 0.003 0.000 0.849 991 D CB 0.202 41.004 40.800 0.002 0.000 0.942 991 D HN 0.720 nan 8.370 nan 0.000 0.446 992 A N 0.732 123.561 122.820 0.015 0.000 1.930 992 A HA -0.210 4.111 4.320 0.001 0.000 0.217 992 A C 2.139 179.744 177.584 0.035 0.000 1.175 992 A CA 1.787 53.836 52.037 0.021 0.000 0.627 992 A CB -0.603 18.407 19.000 0.016 0.000 0.815 992 A HN 0.324 nan 8.150 nan 0.000 0.443 993 Q N -0.160 119.664 119.800 0.040 0.000 2.079 993 Q HA -0.116 4.225 4.340 0.001 0.000 0.200 993 Q C 1.867 177.933 176.000 0.110 0.000 0.974 993 Q CA 1.945 57.790 55.803 0.069 0.000 0.840 993 Q CB -0.213 28.555 28.738 0.050 0.000 0.898 993 Q HN 0.359 nan 8.270 nan 0.000 0.430 994 V N 1.365 121.331 119.914 0.088 0.000 2.358 994 V HA -0.241 3.880 4.120 0.001 0.000 0.246 994 V C 2.434 178.575 176.094 0.078 0.000 1.047 994 V CA 2.099 64.456 62.300 0.095 0.000 1.035 994 V CB -0.555 31.300 31.823 0.054 0.000 0.658 994 V HN 0.373 nan 8.190 nan 0.000 0.452 995 K N -0.362 120.068 120.400 0.049 0.000 2.063 995 K HA -0.161 4.159 4.320 0.001 0.000 0.208 995 K C 2.120 178.739 176.600 0.032 0.000 1.048 995 K CA 1.489 57.796 56.287 0.032 0.000 0.928 995 K CB -0.195 32.317 32.500 0.019 0.000 0.713 995 K HN 0.368 nan 8.250 nan 0.000 0.442 996 L N -0.065 121.189 121.223 0.051 0.000 2.056 996 L HA -0.170 4.170 4.340 0.001 0.000 0.207 996 L C 2.330 179.242 176.870 0.069 0.000 1.078 996 L CA 0.974 55.846 54.840 0.053 0.000 0.749 996 L CB -0.445 41.656 42.059 0.071 0.000 0.901 996 L HN 0.205 nan 8.230 nan 0.000 0.433 997 F N 0.247 120.154 119.950 -0.072 0.000 2.126 997 F HA -0.205 4.322 4.527 0.000 0.000 0.299 997 F C 2.171 177.916 175.800 -0.091 0.000 1.096 997 F CA 1.544 59.440 58.000 -0.174 0.000 1.255 997 F CB -0.365 38.246 39.000 -0.648 0.000 0.997 997 F HN -0.239 nan 8.300 nan 0.000 0.479 998 V N -0.298 119.460 119.914 -0.260 0.000 2.307 998 V HA -0.281 3.839 4.120 0.001 0.000 0.245 998 V C 2.373 178.416 176.094 -0.085 0.000 1.045 998 V CA 2.334 64.490 62.300 -0.239 0.000 1.024 998 V CB -1.169 30.660 31.823 0.009 0.000 0.651 998 V HN 0.402 nan 8.190 nan 0.000 0.449 999 T N 0.508 115.044 114.554 -0.030 0.000 2.759 999 T HA -0.147 4.203 4.350 0.001 0.000 0.269 999 T C 1.860 176.520 174.700 -0.066 0.000 1.042 999 T CA 1.587 63.689 62.100 0.004 0.000 1.140 999 T CB -0.609 68.235 68.868 -0.039 0.000 0.864 999 T HN 0.639 nan 8.240 nan 0.000 0.455 1000 G N 0.992 109.655 108.800 -0.228 0.000 2.470 1000 G HA2 -0.105 3.856 3.960 0.001 0.000 0.220 1000 G HA3 -0.105 3.856 3.960 0.001 0.000 0.220 1000 G C 1.436 175.904 174.900 -0.721 0.000 1.121 1000 G CA 0.337 45.123 45.100 -0.523 0.000 0.766 1000 G HN 0.456 nan 8.290 nan 0.000 0.553 1001 L N -1.016 119.805 121.223 -0.670 0.000 2.141 1001 L HA 0.061 4.401 4.340 0.001 0.000 0.209 1001 L C 2.479 179.022 176.870 -0.545 0.000 1.094 1001 L CA 0.639 54.941 54.840 -0.898 0.000 0.763 1001 L CB -0.289 40.940 42.059 -1.382 0.000 0.908 1001 L HN 0.155 nan 8.230 nan 0.000 0.437 1002 F N -0.847 118.936 119.950 -0.279 0.000 2.262 1002 F HA -0.048 4.479 4.527 0.001 0.000 0.292 1002 F C 2.699 178.461 175.800 -0.064 0.000 1.081 1002 F CA 0.761 58.734 58.000 -0.045 0.000 1.355 1002 F CB -0.634 38.381 39.000 0.025 0.000 1.069 1002 F HN -0.117 nan 8.300 nan 0.000 0.506 1003 S N 0.506 116.241 115.700 0.059 0.000 2.374 1003 S HA -0.147 4.323 4.470 0.001 0.000 0.227 1003 S C 1.743 176.321 174.600 -0.036 0.000 1.037 1003 S CA 1.258 59.446 58.200 -0.021 0.000 1.024 1003 S CB -0.501 62.637 63.200 -0.104 0.000 0.861 1003 S HN 0.275 nan 8.310 nan 0.000 0.456 1004 L N 2.112 123.282 121.223 -0.089 0.000 2.700 1004 L HA 0.184 4.524 4.340 0.001 0.000 0.234 1004 L C 1.147 178.130 176.870 0.188 0.000 1.156 1004 L CA -0.197 54.642 54.840 -0.003 0.000 0.946 1004 L CB -0.531 41.457 42.059 -0.119 0.000 1.216 1004 L HN 0.268 nan 8.230 nan 0.000 0.493 1005 N N -0.034 118.766 118.700 0.168 0.000 2.635 1005 N HA -0.209 4.531 4.740 0.001 0.000 0.191 1005 N C 0.931 176.467 175.510 0.043 0.000 1.155 1005 N CA 0.917 54.047 53.050 0.133 0.000 0.927 1005 N CB -0.157 38.386 38.487 0.092 0.000 0.976 1005 N HN 0.469 nan 8.380 nan 0.000 0.448 1006 Q N -0.983 118.852 119.800 0.060 0.000 2.115 1006 Q HA 0.172 4.512 4.340 0.001 0.000 0.249 1006 Q C -1.060 174.965 176.000 0.040 0.000 0.830 1006 Q CA -0.175 55.650 55.803 0.037 0.000 1.104 1006 Q CB 0.711 29.470 28.738 0.035 0.000 1.207 1006 Q HN 0.205 nan 8.270 nan 0.000 0.464 1007 D N 0.666 121.102 120.400 0.060 0.000 2.472 1007 D HA 0.181 4.822 4.640 0.001 0.000 0.248 1007 D C 0.664 177.023 176.300 0.097 0.000 1.271 1007 D CA -0.150 53.886 54.000 0.061 0.000 0.888 1007 D CB 0.418 41.251 40.800 0.054 0.000 1.337 1007 D HN 0.125 nan 8.370 nan 0.000 0.526 1008 I N 1.879 122.483 120.570 0.056 0.000 2.151 1008 I HA -0.177 3.993 4.170 0.001 0.000 0.243 1008 I C -0.768 175.415 176.117 0.111 0.000 1.080 1008 I CA 1.114 62.448 61.300 0.057 0.000 1.339 1008 I CB -1.042 36.947 38.000 -0.017 0.000 1.039 1008 I HN 0.278 nan 8.210 nan 0.000 0.409 1009 P HA -0.165 nan 4.420 nan 0.000 0.215 1009 P C 1.547 178.906 177.300 0.099 0.000 1.157 1009 P CA 1.876 65.018 63.100 0.070 0.000 0.868 1009 P CB -0.013 31.713 31.700 0.042 0.000 0.788 1010 A N -1.416 121.462 122.820 0.096 0.000 1.902 1010 A HA -0.194 4.126 4.320 0.001 0.000 0.217 1010 A C 2.146 179.804 177.584 0.125 0.000 1.181 1010 A CA 1.308 53.397 52.037 0.086 0.000 0.623 1010 A CB -1.850 17.180 19.000 0.051 0.000 0.818 1010 A HN 0.133 nan 8.150 nan 0.000 0.443 1011 F N 0.525 120.478 119.950 0.005 0.000 2.102 1011 F HA -0.184 4.344 4.527 0.000 0.000 0.298 1011 F C 2.301 178.148 175.800 0.078 0.000 1.105 1011 F CA 2.276 60.281 58.000 0.009 0.000 1.239 1011 F CB -0.039 38.943 39.000 -0.030 0.000 0.991 1011 F HN 0.217 nan 8.300 nan 0.000 0.474 1012 K N 0.071 120.672 120.400 0.334 0.000 2.057 1012 K HA -0.200 4.120 4.320 0.001 0.000 0.207 1012 K C 1.980 178.673 176.600 0.156 0.000 1.049 1012 K CA 1.719 58.147 56.287 0.234 0.000 0.931 1012 K CB -0.130 32.461 32.500 0.151 0.000 0.714 1012 K HN 0.138 nan 8.250 nan 0.000 0.440 1013 E N -0.059 120.219 120.200 0.130 0.000 2.110 1013 E HA -0.206 4.144 4.350 0.001 0.000 0.193 1013 E C 1.909 178.581 176.600 0.121 0.000 0.988 1013 E CA 1.156 57.618 56.400 0.104 0.000 0.804 1013 E CB -0.440 29.311 29.700 0.086 0.000 0.745 1013 E HN 0.481 nan 8.360 nan 0.000 0.458 1014 H N 0.783 119.854 119.070 0.001 0.000 2.319 1014 H HA -0.038 4.518 4.556 0.000 0.000 0.299 1014 H C 2.124 177.523 175.328 0.118 0.000 1.092 1014 H CA 1.593 57.629 56.048 -0.019 0.000 1.302 1014 H CB -0.277 29.336 29.762 -0.248 0.000 1.373 1014 H HN 0.048 nan 8.280 nan 0.000 0.497 1015 L N -0.317 120.960 121.223 0.089 0.000 2.027 1015 L HA -0.136 4.204 4.340 0.001 0.000 0.206 1015 L C 2.860 179.799 176.870 0.115 0.000 1.074 1015 L CA 1.502 56.435 54.840 0.155 0.000 0.745 1015 L CB -0.453 41.714 42.059 0.180 0.000 0.898 1015 L HN 0.261 nan 8.230 nan 0.000 0.433 1016 R N 0.294 120.850 120.500 0.093 0.000 2.091 1016 R HA -0.205 4.136 4.340 0.001 0.000 0.238 1016 R C 1.827 178.142 176.300 0.025 0.000 1.136 1016 R CA 2.031 58.167 56.100 0.060 0.000 0.959 1016 R CB -0.207 30.129 30.300 0.059 0.000 0.856 1016 R HN 0.364 nan 8.270 nan 0.000 0.437 1017 D N -0.361 120.058 120.400 0.031 0.000 2.178 1017 D HA -0.169 4.471 4.640 0.001 0.000 0.202 1017 D C 1.534 177.817 176.300 -0.029 0.000 0.974 1017 D CA 0.891 54.895 54.000 0.008 0.000 0.841 1017 D CB -0.218 40.602 40.800 0.033 0.000 0.953 1017 D HN 0.208 nan 8.370 nan 0.000 0.478 1018 F N 1.307 121.117 119.950 -0.234 0.000 2.259 1018 F HA -0.007 4.521 4.527 0.000 0.000 0.298 1018 F C 2.092 177.672 175.800 -0.366 0.000 1.088 1018 F CA 0.617 58.364 58.000 -0.422 0.000 1.358 1018 F CB -0.188 38.294 39.000 -0.863 0.000 1.040 1018 F HN -0.136 nan 8.300 nan 0.000 0.505 1019 L N -0.934 120.143 121.223 -0.243 0.000 2.083 1019 L HA -0.210 4.130 4.340 0.001 0.000 0.209 1019 L C 2.292 178.998 176.870 -0.273 0.000 1.083 1019 L CA 0.921 55.597 54.840 -0.273 0.000 0.752 1019 L CB -0.850 41.154 42.059 -0.091 0.000 0.899 1019 L HN -0.047 nan 8.230 nan 0.000 0.433 1020 V N -0.700 119.101 119.914 -0.189 0.000 2.626 1020 V HA -0.243 3.877 4.120 0.001 0.000 0.252 1020 V C 1.813 177.798 176.094 -0.183 0.000 1.067 1020 V CA 1.316 63.532 62.300 -0.138 0.000 1.081 1020 V CB -0.510 31.267 31.823 -0.077 0.000 0.686 1020 V HN 0.503 nan 8.190 nan 0.000 0.468 1021 Q N -0.988 118.633 119.800 -0.299 0.000 2.291 1021 Q HA 0.274 4.615 4.340 0.001 0.000 0.211 1021 Q C 1.053 176.791 176.000 -0.437 0.000 0.925 1021 Q CA 0.440 56.050 55.803 -0.322 0.000 0.949 1021 Q CB 0.243 28.778 28.738 -0.338 0.000 1.015 1021 Q HN 0.646 nan 8.270 nan 0.000 0.477 1022 I N -1.898 118.451 120.570 -0.369 0.000 4.147 1022 I HA -0.086 4.085 4.170 0.001 0.000 0.278 1022 I C 1.790 177.865 176.117 -0.069 0.000 1.133 1022 I CA -0.041 61.085 61.300 -0.290 0.000 1.317 1022 I CB 0.119 37.736 38.000 -0.638 0.000 1.688 1022 I HN -0.005 nan 8.210 nan 0.000 0.432 1023 K N 2.351 122.689 120.400 -0.103 0.000 1.977 1023 K HA -0.223 4.097 4.320 0.001 0.000 0.218 1023 K C 1.579 178.177 176.600 -0.004 0.000 1.051 1023 K CA 2.349 58.617 56.287 -0.031 0.000 0.953 1023 K CB -0.185 32.288 32.500 -0.044 0.000 0.727 1023 K HN 0.229 nan 8.250 nan 0.000 0.445 1024 E N -0.380 119.811 120.200 -0.015 0.000 2.284 1024 E HA -0.222 4.129 4.350 0.001 0.000 0.200 1024 E C 1.600 178.203 176.600 0.005 0.000 1.008 1024 E CA 0.956 57.350 56.400 -0.009 0.000 0.829 1024 E CB -0.300 29.395 29.700 -0.009 0.000 0.744 1024 E HN 0.359 nan 8.360 nan 0.000 0.491 1025 F N -0.235 119.636 119.950 -0.133 0.000 2.816 1025 F HA 0.105 4.633 4.527 0.000 0.000 0.302 1025 F C 1.367 177.064 175.800 -0.172 0.000 1.178 1025 F CA 0.544 58.435 58.000 -0.181 0.000 1.421 1025 F CB 0.213 39.033 39.000 -0.300 0.000 1.114 1025 F HN -0.053 nan 8.300 nan 0.000 0.573 1026 A N -1.145 121.606 122.820 -0.115 0.000 1.780 1026 A HA 0.713 5.033 4.320 0.001 0.000 0.208 1026 A C 0.889 178.416 177.584 -0.096 0.000 1.761 1026 A CA 0.519 52.483 52.037 -0.122 0.000 1.183 1026 A CB -0.231 18.757 19.000 -0.020 0.000 1.162 1026 A HN 0.417 nan 8.150 nan 0.000 0.472 1027 G N 0.000 108.766 108.800 -0.057 0.000 5.446 1027 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 1027 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 1027 G CA 0.000 45.072 45.100 -0.047 0.000 0.502 1027 G HN 0.000 nan 8.290 nan 0.000 0.925