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 3ko1_1_F DATA FIRST_RESID 28 DATA SEQUENCE GKEAVRANIA AVKAVEEALK STYGPRGMDK MLVDSLGDIT ITNDGATILD DATA SEQUENCE KMDLQHPAAK LLVQIAKGQD EETADGTKTA VIFSGELVKK AEDLLYKDVH DATA SEQUENCE PTIIISGYKK AEEVALQTIQ ELAQTVSIND TDLLRKIAMT SLSSKAVAGA DATA SEQUENCE REYIADIVVK AVTQVAELRG DKWYVDLDNI QIVKKAGGSI NDTQLVYGIV DATA SEQUENCE VDKEVVHPGM PKRLENAKIA LIDASLEVEK PELDAEIRIN DPTQMQKFLD DATA SEQUENCE EEENLIKEKV DKILATGANV IICQKGIDEV AQSYLAKKGV LAVRRAKKSD DATA SEQUENCE LEKLARATGG RVVSNIDEIS EQDLGYASLI EERKVGEDKM VFVEGAKNPK DATA SEQUENCE SISILIRGGL ERLVDETERA LRDALGTVAD VIKDGRAIAG GGAVEIEIAK DATA SEQUENCE KLRKYAPQVG GKEQLAVEAY ANALESLVSI LIENAGFDPI DLLMKLRSTH DATA SEQUENCE ENENNKWYGI DLYAGQPVDM WQKGVIEPAL VKMNAIKAAT EAATLVLRID DATA SEQUENCE DVVSA 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 28 G HA2 0.000 nan 3.960 nan 0.000 0.244 28 G HA3 0.000 3.977 3.960 0.028 0.000 0.244 28 G C 0.000 174.900 174.900 0.000 0.000 0.946 28 G CA 0.000 45.105 45.100 0.008 0.000 0.502 29 K N 0.209 120.608 120.400 -0.002 0.000 2.189 29 K HA -0.196 4.141 4.320 0.028 0.000 0.207 29 K C 2.260 178.860 176.600 0.001 0.000 1.046 29 K CA 2.002 58.287 56.287 -0.003 0.000 0.928 29 K CB -0.101 32.397 32.500 -0.004 0.000 0.720 29 K HN 0.526 nan 8.250 nan 0.000 0.458 30 E N 0.378 120.580 120.200 0.004 0.000 2.144 30 E HA -0.302 4.065 4.350 0.028 0.000 0.243 30 E C 1.955 178.561 176.600 0.010 0.000 1.043 30 E CA 2.203 58.608 56.400 0.007 0.000 0.952 30 E CB -0.726 28.980 29.700 0.009 0.000 0.849 30 E HN 0.434 nan 8.360 nan 0.000 0.522 31 A N 0.894 123.723 122.820 0.016 0.000 1.943 31 A HA 0.034 4.371 4.320 0.028 0.000 0.213 31 A C 2.667 180.265 177.584 0.024 0.000 1.181 31 A CA 0.992 53.046 52.037 0.028 0.000 0.653 31 A CB -0.518 18.505 19.000 0.039 0.000 0.833 31 A HN 0.116 nan 8.150 nan 0.000 0.451 32 V N 0.830 120.752 119.914 0.013 0.000 2.428 32 V HA -0.306 3.830 4.120 0.028 0.000 0.255 32 V C 2.742 178.835 176.094 -0.003 0.000 1.080 32 V CA 2.307 64.610 62.300 0.004 0.000 1.083 32 V CB -0.923 30.893 31.823 -0.012 0.000 0.665 32 V HN 0.521 nan 8.190 nan 0.000 0.461 33 R N 0.341 120.838 120.500 -0.006 0.000 2.066 33 R HA -0.088 4.268 4.340 0.028 0.000 0.232 33 R C 2.352 178.631 176.300 -0.036 0.000 1.131 33 R CA 1.929 58.019 56.100 -0.016 0.000 0.955 33 R CB -0.988 29.306 30.300 -0.011 0.000 0.851 33 R HN 0.491 nan 8.270 nan 0.000 0.432 34 A N 1.964 124.762 122.820 -0.037 0.000 1.859 34 A HA -0.241 4.095 4.320 0.028 0.000 0.217 34 A C 1.930 179.420 177.584 -0.156 0.000 1.198 34 A CA 1.947 53.923 52.037 -0.101 0.000 0.629 34 A CB -0.773 18.200 19.000 -0.046 0.000 0.830 34 A HN 0.454 nan 8.150 nan 0.000 0.446 35 N N 0.205 118.895 118.700 -0.016 0.000 2.018 35 N HA -0.182 4.574 4.740 0.028 0.000 0.196 35 N C 1.812 177.309 175.510 -0.021 0.000 1.043 35 N CA 1.875 54.951 53.050 0.043 0.000 0.856 35 N CB -0.619 37.922 38.487 0.090 0.000 1.042 35 N HN 0.584 nan 8.380 nan 0.000 0.423 36 I N 1.636 122.192 120.570 -0.023 0.000 2.087 36 I HA -0.341 3.846 4.170 0.028 0.000 0.240 36 I C 2.522 178.606 176.117 -0.055 0.000 1.054 36 I CA 1.409 62.690 61.300 -0.031 0.000 1.311 36 I CB -0.563 37.420 38.000 -0.028 0.000 1.024 36 I HN 0.101 nan 8.210 nan 0.000 0.402 37 A N 0.886 123.660 122.820 -0.077 0.000 1.870 37 A HA -0.363 3.973 4.320 0.028 0.000 0.219 37 A C 2.544 180.065 177.584 -0.106 0.000 1.224 37 A CA 2.947 54.928 52.037 -0.094 0.000 0.650 37 A CB -1.309 17.620 19.000 -0.118 0.000 0.836 37 A HN 0.524 nan 8.150 nan 0.000 0.454 38 A N -0.990 121.730 122.820 -0.166 0.000 1.892 38 A HA -0.091 4.246 4.320 0.028 0.000 0.218 38 A C 2.290 179.848 177.584 -0.042 0.000 1.188 38 A CA 2.374 54.332 52.037 -0.131 0.000 0.631 38 A CB -1.242 17.657 19.000 -0.168 0.000 0.822 38 A HN 0.598 nan 8.150 nan 0.000 0.447 39 V N 0.318 120.216 119.914 -0.025 0.000 2.233 39 V HA -0.332 3.804 4.120 0.028 0.000 0.247 39 V C 2.444 178.521 176.094 -0.028 0.000 1.050 39 V CA 2.439 64.731 62.300 -0.012 0.000 1.010 39 V CB -0.867 30.950 31.823 -0.009 0.000 0.637 39 V HN 0.561 nan 8.190 nan 0.000 0.444 40 K N 0.288 120.663 120.400 -0.042 0.000 2.089 40 K HA -0.265 4.072 4.320 0.028 0.000 0.210 40 K C 2.305 178.881 176.600 -0.041 0.000 1.048 40 K CA 1.676 57.934 56.287 -0.048 0.000 0.926 40 K CB -0.577 31.892 32.500 -0.052 0.000 0.714 40 K HN 0.509 nan 8.250 nan 0.000 0.448 41 A N 1.251 124.047 122.820 -0.039 0.000 1.873 41 A HA -0.171 4.165 4.320 0.028 0.000 0.218 41 A C 2.450 180.023 177.584 -0.018 0.000 1.193 41 A CA 1.923 53.941 52.037 -0.031 0.000 0.629 41 A CB -0.857 18.122 19.000 -0.035 0.000 0.826 41 A HN 0.097 nan 8.150 nan 0.000 0.447 42 V N 0.073 119.981 119.914 -0.011 0.000 2.332 42 V HA -0.304 3.832 4.120 0.028 0.000 0.248 42 V C 2.511 178.601 176.094 -0.006 0.000 1.055 42 V CA 2.406 64.705 62.300 -0.000 0.000 1.038 42 V CB -0.860 30.968 31.823 0.009 0.000 0.651 42 V HN 0.771 nan 8.190 nan 0.000 0.450 43 E N 0.172 120.360 120.200 -0.019 0.000 2.038 43 E HA -0.260 4.107 4.350 0.028 0.000 0.195 43 E C 2.099 178.684 176.600 -0.024 0.000 1.000 43 E CA 1.356 57.739 56.400 -0.029 0.000 0.803 43 E CB -0.089 29.579 29.700 -0.052 0.000 0.750 43 E HN 0.527 nan 8.360 nan 0.000 0.448 44 E N -0.336 119.849 120.200 -0.026 0.000 2.455 44 E HA -0.170 4.197 4.350 0.028 0.000 0.202 44 E C 1.364 177.958 176.600 -0.011 0.000 1.045 44 E CA 0.815 57.203 56.400 -0.021 0.000 0.872 44 E CB 0.017 29.703 29.700 -0.023 0.000 0.792 44 E HN 0.372 nan 8.360 nan 0.000 0.542 45 A N -0.535 122.282 122.820 -0.004 0.000 2.115 45 A HA 0.088 4.424 4.320 0.028 0.000 0.211 45 A C 1.837 179.428 177.584 0.013 0.000 1.169 45 A CA 0.301 52.340 52.037 0.004 0.000 0.787 45 A CB 0.266 19.270 19.000 0.006 0.000 0.858 45 A HN 0.145 nan 8.150 nan 0.000 0.474 46 L N -1.417 119.817 121.223 0.018 0.000 2.609 46 L HA 0.285 4.642 4.340 0.028 0.000 0.230 46 L C 1.822 178.721 176.870 0.049 0.000 1.064 46 L CA 0.821 55.685 54.840 0.040 0.000 0.873 46 L CB -0.384 41.709 42.059 0.058 0.000 1.139 46 L HN 0.272 nan 8.230 nan 0.000 0.490 47 K N 0.846 121.257 120.400 0.018 0.000 2.108 47 K HA -0.315 4.021 4.320 0.028 0.000 0.219 47 K C 1.837 178.464 176.600 0.046 0.000 1.054 47 K CA 2.427 58.717 56.287 0.006 0.000 0.945 47 K CB -0.242 32.243 32.500 -0.025 0.000 0.728 47 K HN 0.454 nan 8.250 nan 0.000 0.462 48 S N -1.137 114.582 115.700 0.032 0.000 2.660 48 S HA -0.056 4.430 4.470 0.028 0.000 0.228 48 S C 1.246 175.872 174.600 0.044 0.000 0.966 48 S CA 1.045 59.264 58.200 0.030 0.000 0.940 48 S CB -0.067 63.138 63.200 0.009 0.000 0.773 48 S HN 0.547 nan 8.310 nan 0.000 0.535 49 T N -3.658 110.940 114.554 0.074 0.000 3.043 49 T HA 0.286 4.652 4.350 0.028 0.000 0.272 49 T C 0.226 174.988 174.700 0.104 0.000 0.990 49 T CA -0.649 61.490 62.100 0.065 0.000 0.897 49 T CB -0.451 68.446 68.868 0.049 0.000 1.111 49 T HN 0.310 nan 8.240 nan 0.000 0.529 50 Y N 2.752 123.053 120.300 0.002 0.000 2.223 50 Y HA 0.411 4.975 4.550 0.024 0.000 0.352 50 Y C 1.255 177.160 175.900 0.009 0.000 1.293 50 Y CA 1.154 59.260 58.100 0.010 0.000 1.601 50 Y CB -0.270 38.200 38.460 0.017 0.000 1.407 50 Y HN 0.698 nan 8.280 nan 0.000 0.639 51 G N 1.699 110.223 108.800 -0.459 0.000 2.880 51 G HA2 -0.186 3.791 3.960 0.028 0.000 0.617 51 G HA3 -0.186 3.791 3.960 0.028 0.000 0.617 51 G C -2.166 172.641 174.900 -0.155 0.000 1.493 51 G CA -0.423 44.537 45.100 -0.233 0.000 0.916 51 G HN 0.649 nan 8.290 nan 0.000 0.553 52 P HA 0.066 nan 4.420 nan 0.000 0.240 52 P C 0.931 178.222 177.300 -0.016 0.000 1.190 52 P CA 0.734 63.809 63.100 -0.042 0.000 0.781 52 P CB 0.363 32.065 31.700 0.003 0.000 0.931 53 R N 0.232 120.709 120.500 -0.038 0.000 2.748 53 R HA 0.387 4.743 4.340 0.028 0.000 0.395 53 R C 0.817 177.080 176.300 -0.062 0.000 1.128 53 R CA -0.237 55.821 56.100 -0.070 0.000 1.042 53 R CB 0.073 30.268 30.300 -0.174 0.000 1.392 53 R HN 0.046 nan 8.270 nan 0.000 0.582 54 G N 0.359 109.138 108.800 -0.034 0.000 2.570 54 G HA2 0.141 4.117 3.960 0.028 0.000 0.276 54 G HA3 0.141 4.117 3.960 0.028 0.000 0.276 54 G C 0.130 175.019 174.900 -0.019 0.000 1.346 54 G CA -0.476 44.616 45.100 -0.013 0.000 1.034 54 G HN 0.064 nan 8.290 nan 0.000 0.512 55 M N -0.345 119.251 119.600 -0.007 0.000 2.363 55 M HA 0.400 4.896 4.480 0.028 0.000 0.280 55 M C -0.567 175.730 176.300 -0.006 0.000 1.182 55 M CA -0.374 54.919 55.300 -0.012 0.000 0.974 55 M CB 1.084 33.678 32.600 -0.010 0.000 1.452 55 M HN 0.329 nan 8.290 nan 0.000 0.507 56 D N 0.711 121.106 120.400 -0.008 0.000 2.481 56 D HA 0.394 5.051 4.640 0.028 0.000 0.244 56 D C -0.639 175.659 176.300 -0.004 0.000 1.057 56 D CA -0.445 53.551 54.000 -0.005 0.000 0.848 56 D CB 1.925 42.720 40.800 -0.009 0.000 1.388 56 D HN 0.130 nan 8.370 nan 0.000 0.475 57 K N 1.287 121.686 120.400 -0.001 0.000 2.164 57 K HA 0.452 4.789 4.320 0.028 0.000 0.258 57 K C -0.206 176.392 176.600 -0.002 0.000 0.951 57 K CA -0.605 55.681 56.287 -0.000 0.000 0.844 57 K CB 2.501 35.003 32.500 0.003 0.000 1.099 57 K HN 0.450 nan 8.250 nan 0.000 0.435 58 M N 3.655 123.253 119.600 -0.003 0.000 2.404 58 M HA 0.412 4.908 4.480 0.028 0.000 0.338 58 M C -1.437 174.861 176.300 -0.002 0.000 1.150 58 M CA -0.679 54.619 55.300 -0.003 0.000 1.016 58 M CB 0.822 33.419 32.600 -0.005 0.000 1.672 58 M HN 0.420 nan 8.290 nan 0.000 0.448 59 L N 5.590 126.812 121.223 -0.002 0.000 2.404 59 L HA 0.524 4.881 4.340 0.028 0.000 0.272 59 L C -1.255 175.613 176.870 -0.002 0.000 0.980 59 L CA -0.924 53.915 54.840 -0.001 0.000 0.836 59 L CB 1.901 43.960 42.059 -0.000 0.000 1.238 59 L HN 0.419 nan 8.230 nan 0.000 0.408 60 V N 1.680 121.593 119.914 -0.002 0.000 2.328 60 V HA 0.182 4.318 4.120 0.028 0.000 0.278 60 V C 0.083 176.176 176.094 -0.002 0.000 1.021 60 V CA -0.550 61.749 62.300 -0.002 0.000 0.838 60 V CB 1.451 33.272 31.823 -0.003 0.000 0.999 60 V HN 0.639 nan 8.190 nan 0.000 0.447 61 D N 3.198 123.597 120.400 -0.002 0.000 2.419 61 D HA -0.038 4.618 4.640 0.028 0.000 0.236 61 D C 1.455 177.754 176.300 -0.001 0.000 1.165 61 D CA 0.675 54.675 54.000 -0.001 0.000 0.882 61 D CB 1.495 42.294 40.800 -0.002 0.000 1.201 61 D HN 0.464 nan 8.370 nan 0.000 0.443 62 S N 1.838 117.537 115.700 -0.001 0.000 2.419 62 S HA -0.111 4.375 4.470 0.028 0.000 0.233 62 S C 1.985 176.585 174.600 -0.001 0.000 1.016 62 S CA 0.496 58.696 58.200 -0.001 0.000 0.974 62 S CB -0.323 62.877 63.200 -0.000 0.000 0.786 62 S HN 0.549 nan 8.310 nan 0.000 0.492 63 L N -0.058 121.164 121.223 -0.002 0.000 2.191 63 L HA 0.066 4.423 4.340 0.028 0.000 0.212 63 L C 1.664 178.533 176.870 -0.003 0.000 1.103 63 L CA 1.307 56.146 54.840 -0.002 0.000 0.769 63 L CB -0.268 41.790 42.059 -0.003 0.000 0.908 63 L HN 0.604 nan 8.230 nan 0.000 0.438 64 G N -1.593 107.205 108.800 -0.003 0.000 2.380 64 G HA2 -0.194 3.783 3.960 0.028 0.000 0.197 64 G HA3 -0.194 3.783 3.960 0.028 0.000 0.197 64 G C -0.152 174.745 174.900 -0.004 0.000 1.001 64 G CA -0.048 45.050 45.100 -0.003 0.000 0.668 64 G HN 0.322 nan 8.290 nan 0.000 0.483 65 D N 2.543 122.940 120.400 -0.004 0.000 2.389 65 D HA 0.418 5.074 4.640 0.028 0.000 0.247 65 D C 0.911 177.208 176.300 -0.004 0.000 1.128 65 D CA 0.373 54.371 54.000 -0.004 0.000 0.884 65 D CB 1.447 42.244 40.800 -0.005 0.000 1.194 65 D HN 0.549 nan 8.370 nan 0.000 0.441 66 I N -0.903 119.664 120.570 -0.005 0.000 2.460 66 I HA 0.483 4.670 4.170 0.028 0.000 0.298 66 I C -0.431 175.683 176.117 -0.006 0.000 0.989 66 I CA -0.519 60.778 61.300 -0.005 0.000 1.173 66 I CB 1.198 39.194 38.000 -0.005 0.000 1.338 66 I HN 0.022 nan 8.210 nan 0.000 0.456 67 T N 7.604 122.155 114.554 -0.005 0.000 2.949 67 T HA 0.558 4.924 4.350 0.028 0.000 0.300 67 T C -0.022 174.675 174.700 -0.005 0.000 0.988 67 T CA -0.378 61.719 62.100 -0.005 0.000 0.993 67 T CB 1.314 70.179 68.868 -0.005 0.000 0.984 67 T HN 0.655 nan 8.240 nan 0.000 0.442 68 I N 0.849 121.415 120.570 -0.006 0.000 2.336 68 I HA 0.890 5.077 4.170 0.028 0.000 0.292 68 I C -0.070 176.044 176.117 -0.006 0.000 0.991 68 I CA -0.428 60.868 61.300 -0.006 0.000 1.227 68 I CB 1.782 39.778 38.000 -0.007 0.000 1.366 68 I HN 0.522 nan 8.210 nan 0.000 0.466 69 T N 3.028 117.579 114.554 -0.004 0.000 2.711 69 T HA 0.372 4.738 4.350 0.028 0.000 0.302 69 T C -0.763 173.936 174.700 -0.001 0.000 1.373 69 T CA -0.586 61.511 62.100 -0.004 0.000 1.000 69 T CB 1.651 70.517 68.868 -0.004 0.000 1.483 69 T HN 0.916 nan 8.240 nan 0.000 0.499 70 N N 0.995 119.694 118.700 -0.001 0.000 2.390 70 N HA 0.124 4.880 4.740 0.028 0.000 0.259 70 N C -1.129 174.383 175.510 0.004 0.000 1.395 70 N CA -0.397 52.655 53.050 0.003 0.000 0.852 70 N CB 0.582 39.068 38.487 -0.001 0.000 1.371 70 N HN 0.590 nan 8.380 nan 0.000 0.491 71 D N 0.472 120.874 120.400 0.003 0.000 2.280 71 D HA 0.267 4.923 4.640 0.028 0.000 0.243 71 D C 1.222 177.529 176.300 0.012 0.000 1.129 71 D CA -0.196 53.806 54.000 0.003 0.000 0.848 71 D CB 1.712 42.512 40.800 -0.001 0.000 1.107 71 D HN 0.261 nan 8.370 nan 0.000 0.471 72 G N 3.786 112.598 108.800 0.019 0.000 2.553 72 G HA2 -0.340 3.636 3.960 0.028 0.000 0.218 72 G HA3 -0.340 3.636 3.960 0.028 0.000 0.218 72 G C 1.430 176.343 174.900 0.022 0.000 1.195 72 G CA 1.541 46.658 45.100 0.028 0.000 0.779 72 G HN 0.660 nan 8.290 nan 0.000 0.577 73 A N 0.202 123.033 122.820 0.018 0.000 1.870 73 A HA -0.197 4.140 4.320 0.028 0.000 0.219 73 A C 2.535 180.127 177.584 0.013 0.000 1.224 73 A CA 3.182 55.229 52.037 0.016 0.000 0.650 73 A CB -1.438 17.569 19.000 0.012 0.000 0.836 73 A HN 0.361 nan 8.150 nan 0.000 0.454 74 T N 0.456 115.016 114.554 0.010 0.000 2.699 74 T HA -0.146 4.220 4.350 0.028 0.000 0.268 74 T C 1.699 176.405 174.700 0.009 0.000 1.036 74 T CA 1.531 63.635 62.100 0.008 0.000 1.147 74 T CB -0.365 68.505 68.868 0.004 0.000 0.862 74 T HN 0.357 nan 8.240 nan 0.000 0.446 75 I N 0.303 120.880 120.570 0.012 0.000 2.614 75 I HA -0.020 4.166 4.170 0.028 0.000 0.258 75 I C 1.744 177.870 176.117 0.015 0.000 1.189 75 I CA 1.113 62.421 61.300 0.013 0.000 1.462 75 I CB -0.895 37.115 38.000 0.017 0.000 1.092 75 I HN 0.247 nan 8.210 nan 0.000 0.442 76 L N -0.313 120.920 121.223 0.016 0.000 2.425 76 L HA 0.062 4.419 4.340 0.028 0.000 0.215 76 L C 1.925 178.804 176.870 0.014 0.000 1.065 76 L CA 0.890 55.740 54.840 0.017 0.000 0.842 76 L CB -0.476 41.596 42.059 0.021 0.000 1.033 76 L HN 0.010 nan 8.230 nan 0.000 0.474 77 D N 0.176 120.584 120.400 0.013 0.000 2.097 77 D HA -0.116 4.540 4.640 0.028 0.000 0.197 77 D C 1.804 178.109 176.300 0.009 0.000 0.984 77 D CA 1.025 55.031 54.000 0.010 0.000 0.826 77 D CB -0.010 40.795 40.800 0.009 0.000 0.973 77 D HN 0.067 nan 8.370 nan 0.000 0.460 78 K N -0.050 120.355 120.400 0.008 0.000 2.486 78 K HA 0.047 4.384 4.320 0.028 0.000 0.194 78 K C 0.808 177.412 176.600 0.007 0.000 1.033 78 K CA -0.010 56.281 56.287 0.006 0.000 1.004 78 K CB 0.084 32.587 32.500 0.004 0.000 0.798 78 K HN 0.274 nan 8.250 nan 0.000 0.495 79 M N 1.902 121.508 119.600 0.009 0.000 2.036 79 M HA 0.169 4.666 4.480 0.028 0.000 0.337 79 M C -1.542 174.766 176.300 0.012 0.000 1.012 79 M CA -0.496 54.810 55.300 0.010 0.000 0.962 79 M CB 0.758 33.364 32.600 0.011 0.000 1.423 79 M HN -0.204 nan 8.290 nan 0.000 0.405 80 D N 4.899 125.306 120.400 0.011 0.000 2.383 80 D HA 0.365 5.022 4.640 0.028 0.000 0.252 80 D C -0.931 175.379 176.300 0.017 0.000 1.166 80 D CA 0.206 54.214 54.000 0.013 0.000 0.879 80 D CB 0.749 41.556 40.800 0.011 0.000 1.164 80 D HN 0.443 nan 8.370 nan 0.000 0.462 81 L N 1.339 122.575 121.223 0.021 0.000 2.330 81 L HA 0.508 4.865 4.340 0.028 0.000 0.271 81 L C 0.714 177.604 176.870 0.033 0.000 1.013 81 L CA -0.574 54.284 54.840 0.031 0.000 0.816 81 L CB 1.048 43.129 42.059 0.037 0.000 1.287 81 L HN 0.253 nan 8.230 nan 0.000 0.435 82 Q N -0.067 119.762 119.800 0.047 0.000 2.581 82 Q HA 0.062 4.418 4.340 0.028 0.000 0.222 82 Q C -0.055 175.969 176.000 0.039 0.000 0.904 82 Q CA 0.226 56.050 55.803 0.036 0.000 0.923 82 Q CB 0.210 28.969 28.738 0.035 0.000 1.117 82 Q HN 0.884 nan 8.270 nan 0.000 0.618 83 H N 3.489 122.560 119.070 0.002 0.000 3.173 83 H HA -0.073 4.500 4.556 0.028 0.000 0.311 83 H C -1.425 173.905 175.328 0.003 0.000 0.972 83 H CA 0.112 56.161 56.048 0.002 0.000 1.384 83 H CB 0.932 30.694 29.762 0.001 0.000 1.349 83 H HN 0.125 nan 8.280 nan 0.000 0.582 84 P HA -0.287 nan 4.420 nan 0.000 0.215 84 P C 1.159 178.418 177.300 -0.068 0.000 1.157 84 P CA 2.183 65.152 63.100 -0.219 0.000 0.874 84 P CB -0.085 31.449 31.700 -0.276 0.000 0.790 85 A N 1.012 123.842 122.820 0.017 0.000 1.884 85 A HA -0.217 4.119 4.320 0.028 0.000 0.219 85 A C 2.633 180.278 177.584 0.102 0.000 1.197 85 A CA 3.113 55.228 52.037 0.131 0.000 0.637 85 A CB -1.746 17.416 19.000 0.270 0.000 0.827 85 A HN 0.288 nan 8.150 nan 0.000 0.450 86 A N -0.449 122.453 122.820 0.137 0.000 1.873 86 A HA -0.243 4.094 4.320 0.028 0.000 0.218 86 A C 2.117 179.731 177.584 0.050 0.000 1.193 86 A CA 2.068 54.155 52.037 0.084 0.000 0.629 86 A CB -0.591 18.465 19.000 0.093 0.000 0.826 86 A HN 0.571 nan 8.150 nan 0.000 0.447 87 K N -1.102 119.320 120.400 0.036 0.000 2.152 87 K HA -0.136 4.201 4.320 0.028 0.000 0.206 87 K C 1.847 178.460 176.600 0.021 0.000 1.048 87 K CA 1.294 57.593 56.287 0.021 0.000 0.933 87 K CB -0.341 32.162 32.500 0.005 0.000 0.721 87 K HN 0.392 nan 8.250 nan 0.000 0.447 88 L N 1.141 122.377 121.223 0.022 0.000 2.072 88 L HA -0.107 4.250 4.340 0.028 0.000 0.205 88 L C 2.008 178.898 176.870 0.032 0.000 1.079 88 L CA 1.250 56.104 54.840 0.024 0.000 0.752 88 L CB -0.537 41.536 42.059 0.023 0.000 0.906 88 L HN 0.075 nan 8.230 nan 0.000 0.436 89 L N -0.594 120.652 121.223 0.038 0.000 1.988 89 L HA -0.120 4.237 4.340 0.028 0.000 0.207 89 L C 2.591 179.483 176.870 0.037 0.000 1.071 89 L CA 2.338 57.201 54.840 0.039 0.000 0.744 89 L CB -1.014 41.068 42.059 0.038 0.000 0.893 89 L HN 0.260 nan 8.230 nan 0.000 0.433 90 V N -1.806 118.128 119.914 0.034 0.000 2.469 90 V HA -0.334 3.803 4.120 0.028 0.000 0.251 90 V C 2.387 178.499 176.094 0.029 0.000 1.064 90 V CA 2.124 64.443 62.300 0.031 0.000 1.066 90 V CB -1.446 30.394 31.823 0.028 0.000 0.667 90 V HN 0.786 nan 8.190 nan 0.000 0.461 91 Q N 0.322 120.138 119.800 0.027 0.000 2.124 91 Q HA -0.151 4.206 4.340 0.028 0.000 0.202 91 Q C 2.196 178.213 176.000 0.029 0.000 0.977 91 Q CA 2.559 58.377 55.803 0.025 0.000 0.850 91 Q CB -0.204 28.547 28.738 0.022 0.000 0.901 91 Q HN 0.787 nan 8.270 nan 0.000 0.429 92 I N 0.270 120.860 120.570 0.033 0.000 2.406 92 I HA -0.150 4.037 4.170 0.028 0.000 0.249 92 I C 2.424 178.565 176.117 0.040 0.000 1.122 92 I CA 0.685 62.007 61.300 0.038 0.000 1.431 92 I CB -0.441 37.585 38.000 0.044 0.000 1.087 92 I HN 0.223 nan 8.210 nan 0.000 0.424 93 A N 1.376 124.220 122.820 0.041 0.000 1.832 93 A HA -0.178 4.159 4.320 0.028 0.000 0.214 93 A C 2.373 179.979 177.584 0.036 0.000 1.200 93 A CA 1.492 53.555 52.037 0.043 0.000 0.610 93 A CB -0.502 18.524 19.000 0.045 0.000 0.842 93 A HN 0.212 nan 8.150 nan 0.000 0.444 94 K N -0.807 119.612 120.400 0.032 0.000 1.978 94 K HA -0.113 4.224 4.320 0.028 0.000 0.214 94 K C 1.472 178.088 176.600 0.026 0.000 1.049 94 K CA 1.174 57.478 56.287 0.027 0.000 0.939 94 K CB -0.692 31.822 32.500 0.023 0.000 0.721 94 K HN 0.433 nan 8.250 nan 0.000 0.441 95 G N 2.549 111.364 108.800 0.026 0.000 3.180 95 G HA2 -0.081 3.895 3.960 0.028 0.000 0.252 95 G HA3 -0.081 3.895 3.960 0.028 0.000 0.252 95 G C 0.262 175.179 174.900 0.029 0.000 0.871 95 G CA -0.035 45.081 45.100 0.026 0.000 1.979 95 G HN 0.303 nan 8.290 nan 0.000 0.624 96 Q N -0.488 119.330 119.800 0.030 0.000 2.669 96 Q HA -0.001 4.356 4.340 0.028 0.000 0.257 96 Q C 0.630 176.649 176.000 0.031 0.000 1.187 96 Q CA 0.570 56.392 55.803 0.032 0.000 1.136 96 Q CB 0.266 29.023 28.738 0.031 0.000 2.646 96 Q HN 0.345 nan 8.270 nan 0.000 0.592 97 D N -0.821 119.598 120.400 0.031 0.000 2.369 97 D HA 0.147 4.804 4.640 0.028 0.000 0.211 97 D C -0.393 175.926 176.300 0.032 0.000 1.077 97 D CA 0.198 54.217 54.000 0.032 0.000 0.842 97 D CB 0.667 41.487 40.800 0.033 0.000 0.947 97 D HN 0.153 nan 8.370 nan 0.000 0.509 98 E N -1.024 119.193 120.200 0.028 0.000 2.269 98 E HA 0.205 4.572 4.350 0.028 0.000 0.243 98 E C 0.329 176.943 176.600 0.022 0.000 1.114 98 E CA -0.555 55.861 56.400 0.028 0.000 0.896 98 E CB 0.715 30.430 29.700 0.025 0.000 1.811 98 E HN -0.283 nan 8.360 nan 0.000 0.472 99 E N 0.178 120.388 120.200 0.017 0.000 1.949 99 E HA -0.085 4.281 4.350 0.028 0.000 0.205 99 E C 0.336 176.938 176.600 0.004 0.000 0.957 99 E CA 1.143 57.548 56.400 0.009 0.000 0.886 99 E CB -1.112 28.588 29.700 -0.000 0.000 0.824 99 E HN 0.521 nan 8.360 nan 0.000 0.555 100 T N -0.016 114.536 114.554 -0.004 0.000 2.870 100 T HA -0.073 4.293 4.350 0.028 0.000 0.311 100 T C 0.899 175.598 174.700 -0.001 0.000 1.052 100 T CA 0.563 62.658 62.100 -0.007 0.000 1.131 100 T CB 0.397 69.256 68.868 -0.015 0.000 1.082 100 T HN 0.356 nan 8.240 nan 0.000 0.511 101 A N 3.738 126.557 122.820 -0.002 0.000 2.208 101 A HA 0.197 4.534 4.320 0.028 0.000 0.209 101 A C 0.717 178.304 177.584 0.005 0.000 1.161 101 A CA 0.228 52.268 52.037 0.004 0.000 0.782 101 A CB -0.274 18.728 19.000 0.003 0.000 0.816 101 A HN 0.911 nan 8.150 nan 0.000 0.477 102 D N -1.231 119.167 120.400 -0.004 0.000 2.400 102 D HA 0.389 5.046 4.640 0.028 0.000 0.238 102 D C 1.406 177.709 176.300 0.006 0.000 1.157 102 D CA 1.675 55.670 54.000 -0.008 0.000 0.889 102 D CB 0.330 41.115 40.800 -0.024 0.000 1.199 102 D HN 0.332 nan 8.370 nan 0.000 0.436 103 G N 0.513 109.322 108.800 0.015 0.000 2.234 103 G HA2 -0.382 3.595 3.960 0.028 0.000 0.260 103 G HA3 -0.382 3.595 3.960 0.028 0.000 0.260 103 G C 1.330 176.266 174.900 0.060 0.000 0.987 103 G CA 1.059 46.183 45.100 0.040 0.000 0.625 103 G HN 0.645 nan 8.290 nan 0.000 0.532 104 T N -1.302 113.282 114.554 0.049 0.000 2.867 104 T HA 0.048 4.415 4.350 0.028 0.000 0.268 104 T C 1.970 176.717 174.700 0.078 0.000 1.057 104 T CA 1.865 63.997 62.100 0.055 0.000 1.136 104 T CB -0.100 68.792 68.868 0.041 0.000 0.874 104 T HN 0.496 nan 8.240 nan 0.000 0.466 105 K N 0.829 121.284 120.400 0.092 0.000 2.097 105 K HA -0.077 4.259 4.320 0.028 0.000 0.206 105 K C 2.350 179.075 176.600 0.208 0.000 1.049 105 K CA 1.520 57.889 56.287 0.137 0.000 0.933 105 K CB -0.384 32.202 32.500 0.143 0.000 0.717 105 K HN 0.351 nan 8.250 nan 0.000 0.442 106 T N 0.433 115.133 114.554 0.243 0.000 2.698 106 T HA -0.086 4.280 4.350 0.028 0.000 0.260 106 T C 1.806 176.599 174.700 0.155 0.000 1.044 106 T CA 1.255 63.522 62.100 0.278 0.000 1.149 106 T CB -0.465 68.547 68.868 0.241 0.000 0.864 106 T HN 0.387 nan 8.240 nan 0.000 0.419 107 A N 0.981 123.870 122.820 0.114 0.000 1.929 107 A HA -0.183 4.153 4.320 0.028 0.000 0.221 107 A C 2.574 180.228 177.584 0.116 0.000 1.211 107 A CA 2.382 54.481 52.037 0.104 0.000 0.657 107 A CB -1.383 17.661 19.000 0.073 0.000 0.827 107 A HN 0.374 nan 8.150 nan 0.000 0.462 108 V N 0.110 120.077 119.914 0.088 0.000 2.283 108 V HA -0.156 3.981 4.120 0.028 0.000 0.243 108 V C 2.256 178.370 176.094 0.034 0.000 1.039 108 V CA 1.894 64.229 62.300 0.058 0.000 1.016 108 V CB -0.496 31.355 31.823 0.047 0.000 0.650 108 V HN 0.508 nan 8.190 nan 0.000 0.449 109 I N 0.118 120.700 120.570 0.020 0.000 2.091 109 I HA -0.275 3.911 4.170 0.028 0.000 0.239 109 I C 2.435 178.518 176.117 -0.056 0.000 1.061 109 I CA 2.445 63.710 61.300 -0.059 0.000 1.317 109 I CB -1.785 36.098 38.000 -0.195 0.000 1.031 109 I HN 0.477 nan 8.210 nan 0.000 0.401 110 F N 1.320 121.182 119.950 -0.146 0.000 2.161 110 F HA -0.267 4.275 4.527 0.025 0.000 0.300 110 F C 2.930 178.638 175.800 -0.153 0.000 1.089 110 F CA 1.928 59.836 58.000 -0.154 0.000 1.282 110 F CB -0.219 38.710 39.000 -0.117 0.000 1.010 110 F HN 0.020 nan 8.300 nan 0.000 0.485 111 S N -0.033 115.678 115.700 0.018 0.000 2.351 111 S HA -0.176 4.311 4.470 0.028 0.000 0.220 111 S C 2.342 176.853 174.600 -0.148 0.000 1.035 111 S CA 1.689 59.859 58.200 -0.049 0.000 1.031 111 S CB -1.257 61.961 63.200 0.030 0.000 0.928 111 S HN 0.566 nan 8.310 nan 0.000 0.433 112 G N 1.011 109.745 108.800 -0.110 0.000 2.448 112 G HA2 -0.133 3.843 3.960 0.028 0.000 0.219 112 G HA3 -0.133 3.843 3.960 0.028 0.000 0.219 112 G C 1.421 176.218 174.900 -0.171 0.000 1.127 112 G CA 0.568 45.602 45.100 -0.111 0.000 0.766 112 G HN 0.479 nan 8.290 nan 0.000 0.552 113 E N -0.003 120.041 120.200 -0.260 0.000 2.106 113 E HA -0.040 4.327 4.350 0.028 0.000 0.192 113 E C 2.574 178.960 176.600 -0.357 0.000 0.984 113 E CA 0.422 56.641 56.400 -0.302 0.000 0.806 113 E CB -0.165 29.319 29.700 -0.361 0.000 0.750 113 E HN 0.299 nan 8.360 nan 0.000 0.458 114 L N 0.344 121.256 121.223 -0.518 0.000 2.046 114 L HA -0.160 4.197 4.340 0.028 0.000 0.208 114 L C 2.478 179.279 176.870 -0.116 0.000 1.077 114 L CA 1.042 55.598 54.840 -0.472 0.000 0.747 114 L CB -0.993 40.655 42.059 -0.685 0.000 0.896 114 L HN -0.040 nan 8.230 nan 0.000 0.432 115 V N -0.651 119.200 119.914 -0.105 0.000 2.287 115 V HA -0.326 3.811 4.120 0.028 0.000 0.248 115 V C 2.464 178.534 176.094 -0.041 0.000 1.053 115 V CA 1.728 64.009 62.300 -0.033 0.000 1.027 115 V CB -0.711 31.086 31.823 -0.043 0.000 0.646 115 V HN 0.425 nan 8.190 nan 0.000 0.447 116 K N 0.156 120.509 120.400 -0.078 0.000 1.978 116 K HA -0.185 4.152 4.320 0.028 0.000 0.214 116 K C 2.246 178.815 176.600 -0.051 0.000 1.049 116 K CA 1.455 57.700 56.287 -0.068 0.000 0.939 116 K CB -0.342 32.104 32.500 -0.089 0.000 0.721 116 K HN 0.247 nan 8.250 nan 0.000 0.441 117 K N 0.449 120.810 120.400 -0.064 0.000 2.281 117 K HA -0.115 4.221 4.320 0.028 0.000 0.203 117 K C 1.956 178.572 176.600 0.026 0.000 1.046 117 K CA 1.198 57.467 56.287 -0.030 0.000 0.938 117 K CB -0.224 32.244 32.500 -0.053 0.000 0.737 117 K HN 0.232 nan 8.250 nan 0.000 0.458 118 A N 0.899 123.750 122.820 0.052 0.000 1.970 118 A HA -0.109 4.227 4.320 0.028 0.000 0.216 118 A C 2.123 179.703 177.584 -0.007 0.000 1.170 118 A CA 0.996 53.053 52.037 0.034 0.000 0.645 118 A CB -0.210 18.814 19.000 0.039 0.000 0.816 118 A HN 0.370 nan 8.150 nan 0.000 0.447 119 E N 0.273 120.471 120.200 -0.004 0.000 2.085 119 E HA -0.226 4.141 4.350 0.028 0.000 0.194 119 E C 0.968 177.585 176.600 0.028 0.000 0.994 119 E CA 1.343 57.744 56.400 0.003 0.000 0.801 119 E CB -0.105 29.590 29.700 -0.009 0.000 0.743 119 E HN 0.545 nan 8.360 nan 0.000 0.453 120 D N 0.328 120.735 120.400 0.011 0.000 2.263 120 D HA -0.154 4.503 4.640 0.028 0.000 0.208 120 D C 1.833 178.178 176.300 0.074 0.000 0.971 120 D CA 0.521 54.533 54.000 0.021 0.000 0.867 120 D CB 0.126 40.914 40.800 -0.021 0.000 0.929 120 D HN 0.248 nan 8.370 nan 0.000 0.492 121 L N 0.492 121.740 121.223 0.041 0.000 2.095 121 L HA -0.075 4.282 4.340 0.028 0.000 0.204 121 L C 2.319 179.210 176.870 0.036 0.000 1.080 121 L CA 0.652 55.510 54.840 0.029 0.000 0.759 121 L CB -0.777 41.269 42.059 -0.022 0.000 0.914 121 L HN 0.101 nan 8.230 nan 0.000 0.439 122 L N -1.322 119.918 121.223 0.028 0.000 2.131 122 L HA -0.249 4.107 4.340 0.028 0.000 0.210 122 L C 2.498 179.399 176.870 0.051 0.000 1.092 122 L CA 1.572 56.422 54.840 0.018 0.000 0.759 122 L CB -1.651 40.410 42.059 0.004 0.000 0.903 122 L HN 0.258 nan 8.230 nan 0.000 0.435 123 Y N 1.386 121.672 120.300 -0.023 0.000 2.224 123 Y HA -0.226 4.341 4.550 0.029 0.000 0.289 123 Y C 2.339 178.232 175.900 -0.012 0.000 1.146 123 Y CA 1.659 59.749 58.100 -0.017 0.000 1.182 123 Y CB 0.011 38.462 38.460 -0.016 0.000 0.983 123 Y HN 0.079 nan 8.280 nan 0.000 0.524 124 K N 0.482 120.962 120.400 0.133 0.000 2.525 124 K HA -0.078 4.259 4.320 0.028 0.000 0.192 124 K C -0.084 176.509 176.600 -0.012 0.000 1.029 124 K CA 0.939 57.260 56.287 0.057 0.000 1.029 124 K CB -0.185 32.366 32.500 0.084 0.000 0.814 124 K HN 0.310 nan 8.250 nan 0.000 0.503 125 D N 0.525 120.906 120.400 -0.032 0.000 2.760 125 D HA -0.131 4.526 4.640 0.028 0.000 0.244 125 D C -1.064 175.236 176.300 0.000 0.000 1.123 125 D CA 0.412 54.394 54.000 -0.030 0.000 0.719 125 D CB -0.746 40.023 40.800 -0.052 0.000 1.045 125 D HN 0.062 nan 8.370 nan 0.000 0.426 126 V N 0.151 120.070 119.914 0.008 0.000 2.378 126 V HA 0.590 4.726 4.120 0.028 0.000 0.288 126 V C 0.521 176.638 176.094 0.037 0.000 1.016 126 V CA -1.028 61.284 62.300 0.020 0.000 0.840 126 V CB 1.525 33.348 31.823 -0.001 0.000 0.994 126 V HN 0.351 nan 8.190 nan 0.000 0.431 127 H N 8.670 127.719 119.070 -0.036 0.000 3.173 127 H HA 0.091 4.664 4.556 0.028 0.000 0.311 127 H C -1.308 173.991 175.328 -0.048 0.000 0.972 127 H CA 0.005 56.032 56.048 -0.036 0.000 1.384 127 H CB 1.242 30.987 29.762 -0.029 0.000 1.349 127 H HN 0.557 nan 8.280 nan 0.000 0.582 128 P HA -0.191 nan 4.420 nan 0.000 0.219 128 P C 1.424 178.570 177.300 -0.256 0.000 1.146 128 P CA 1.535 64.439 63.100 -0.325 0.000 0.808 128 P CB 0.193 31.693 31.700 -0.333 0.000 0.779 129 T N -0.673 113.718 114.554 -0.271 0.000 2.833 129 T HA -0.075 4.291 4.350 0.028 0.000 0.269 129 T C 1.741 176.449 174.700 0.014 0.000 1.054 129 T CA 0.834 62.931 62.100 -0.005 0.000 1.135 129 T CB -0.402 68.625 68.868 0.265 0.000 0.869 129 T HN -0.133 nan 8.240 nan 0.000 0.466 130 I N 0.856 121.437 120.570 0.019 0.000 2.277 130 I HA 0.003 4.189 4.170 0.028 0.000 0.243 130 I C 2.314 178.382 176.117 -0.080 0.000 1.094 130 I CA 1.053 62.350 61.300 -0.005 0.000 1.393 130 I CB -1.172 36.837 38.000 0.016 0.000 1.078 130 I HN 0.331 nan 8.210 nan 0.000 0.417 131 I N 0.709 121.183 120.570 -0.159 0.000 2.423 131 I HA -0.288 3.899 4.170 0.028 0.000 0.254 131 I C 2.466 178.339 176.117 -0.407 0.000 1.151 131 I CA 0.980 62.074 61.300 -0.342 0.000 1.421 131 I CB -0.258 37.495 38.000 -0.412 0.000 1.079 131 I HN 0.133 nan 8.210 nan 0.000 0.431 132 I N 0.402 120.856 120.570 -0.193 0.000 2.163 132 I HA -0.207 3.979 4.170 0.028 0.000 0.240 132 I C 2.668 178.807 176.117 0.037 0.000 1.081 132 I CA 1.491 62.756 61.300 -0.059 0.000 1.353 132 I CB -1.201 36.790 38.000 -0.015 0.000 1.054 132 I HN 0.170 nan 8.210 nan 0.000 0.407 133 S N 1.147 116.859 115.700 0.021 0.000 2.370 133 S HA -0.121 4.366 4.470 0.028 0.000 0.226 133 S C 2.160 176.802 174.600 0.070 0.000 1.033 133 S CA 1.298 59.528 58.200 0.051 0.000 1.011 133 S CB -0.871 62.349 63.200 0.033 0.000 0.852 133 S HN 0.619 nan 8.310 nan 0.000 0.457 134 G N 0.514 109.336 108.800 0.037 0.000 2.514 134 G HA2 -0.235 3.742 3.960 0.028 0.000 0.217 134 G HA3 -0.235 3.742 3.960 0.028 0.000 0.217 134 G C 1.178 176.225 174.900 0.244 0.000 1.198 134 G CA 0.863 46.008 45.100 0.076 0.000 0.780 134 G HN 0.575 nan 8.290 nan 0.000 0.565 135 Y N 0.569 120.953 120.300 0.140 0.000 2.165 135 Y HA -0.168 4.398 4.550 0.028 0.000 0.286 135 Y C 3.110 179.108 175.900 0.163 0.000 1.155 135 Y CA 1.121 59.394 58.100 0.287 0.000 1.164 135 Y CB -0.037 38.609 38.460 0.310 0.000 0.978 135 Y HN 0.097 nan 8.280 nan 0.000 0.513 136 K N 0.999 121.567 120.400 0.280 0.000 1.978 136 K HA -0.179 4.158 4.320 0.028 0.000 0.214 136 K C 1.795 178.456 176.600 0.102 0.000 1.049 136 K CA 1.649 58.037 56.287 0.168 0.000 0.939 136 K CB -0.320 32.257 32.500 0.128 0.000 0.721 136 K HN 0.143 nan 8.250 nan 0.000 0.441 137 K N -0.185 120.277 120.400 0.103 0.000 2.113 137 K HA -0.143 4.194 4.320 0.028 0.000 0.208 137 K C 2.107 178.778 176.600 0.118 0.000 1.047 137 K CA 1.400 57.761 56.287 0.123 0.000 0.928 137 K CB -0.229 32.350 32.500 0.133 0.000 0.716 137 K HN 0.198 nan 8.250 nan 0.000 0.446 138 A N 1.537 124.340 122.820 -0.027 0.000 1.930 138 A HA -0.203 4.133 4.320 0.028 0.000 0.217 138 A C 2.108 179.420 177.584 -0.453 0.000 1.175 138 A CA 1.421 53.298 52.037 -0.266 0.000 0.627 138 A CB -0.371 18.291 19.000 -0.565 0.000 0.815 138 A HN 0.401 nan 8.150 nan 0.000 0.443 139 E N -0.202 119.766 120.200 -0.385 0.000 2.058 139 E HA -0.243 4.124 4.350 0.028 0.000 0.194 139 E C 1.795 178.353 176.600 -0.070 0.000 0.997 139 E CA 1.308 57.601 56.400 -0.179 0.000 0.801 139 E CB -0.132 29.608 29.700 0.066 0.000 0.746 139 E HN 0.511 nan 8.360 nan 0.000 0.450 140 E N 0.361 120.549 120.200 -0.020 0.000 2.045 140 E HA -0.233 4.133 4.350 0.028 0.000 0.212 140 E C 2.298 178.878 176.600 -0.034 0.000 1.039 140 E CA 1.615 58.011 56.400 -0.006 0.000 0.860 140 E CB -0.775 28.933 29.700 0.013 0.000 0.776 140 E HN 0.229 nan 8.360 nan 0.000 0.467 141 V N 1.778 121.666 119.914 -0.043 0.000 2.252 141 V HA -0.307 3.830 4.120 0.028 0.000 0.249 141 V C 2.520 178.584 176.094 -0.050 0.000 1.056 141 V CA 2.221 64.476 62.300 -0.076 0.000 1.022 141 V CB -1.162 30.622 31.823 -0.064 0.000 0.641 141 V HN 0.345 nan 8.190 nan 0.000 0.445 142 A N -0.490 122.293 122.820 -0.062 0.000 1.958 142 A HA -0.247 4.090 4.320 0.028 0.000 0.221 142 A C 2.175 179.749 177.584 -0.017 0.000 1.178 142 A CA 2.396 54.409 52.037 -0.041 0.000 0.642 142 A CB -0.570 18.383 19.000 -0.079 0.000 0.816 142 A HN 0.437 nan 8.150 nan 0.000 0.453 143 L N 0.164 121.375 121.223 -0.020 0.000 1.993 143 L HA -0.188 4.168 4.340 0.028 0.000 0.206 143 L C 2.924 179.793 176.870 -0.002 0.000 1.074 143 L CA 2.603 57.441 54.840 -0.004 0.000 0.746 143 L CB -0.929 41.132 42.059 0.003 0.000 0.896 143 L HN 0.700 nan 8.230 nan 0.000 0.435 144 Q N -2.147 117.645 119.800 -0.013 0.000 2.297 144 Q HA -0.204 4.152 4.340 0.028 0.000 0.208 144 Q C 1.493 177.487 176.000 -0.011 0.000 0.981 144 Q CA 2.013 57.807 55.803 -0.014 0.000 0.876 144 Q CB -0.988 27.731 28.738 -0.032 0.000 0.921 144 Q HN 0.437 nan 8.270 nan 0.000 0.446 145 T N 0.998 115.543 114.554 -0.014 0.000 3.007 145 T HA 0.014 4.381 4.350 0.028 0.000 0.270 145 T C 1.567 176.278 174.700 0.018 0.000 1.107 145 T CA 0.930 63.026 62.100 -0.008 0.000 1.118 145 T CB -0.059 68.805 68.868 -0.007 0.000 0.889 145 T HN 0.332 nan 8.240 nan 0.000 0.506 146 I N 0.087 120.676 120.570 0.033 0.000 2.731 146 I HA -0.032 4.154 4.170 0.028 0.000 0.260 146 I C 2.626 178.786 176.117 0.071 0.000 1.138 146 I CA 0.577 61.918 61.300 0.068 0.000 1.461 146 I CB -0.203 37.834 38.000 0.063 0.000 1.128 146 I HN 0.179 nan 8.210 nan 0.000 0.438 147 Q N 1.472 121.298 119.800 0.044 0.000 1.942 147 Q HA -0.220 4.136 4.340 0.028 0.000 0.203 147 Q C 1.117 177.139 176.000 0.038 0.000 0.987 147 Q CA 1.643 57.471 55.803 0.041 0.000 0.844 147 Q CB -0.346 28.406 28.738 0.024 0.000 0.911 147 Q HN 0.558 nan 8.270 nan 0.000 0.423 148 E N 0.674 120.884 120.200 0.016 0.000 2.888 148 E HA -0.009 4.357 4.350 0.028 0.000 0.271 148 E C 0.835 177.433 176.600 -0.004 0.000 1.527 148 E CA 0.153 56.554 56.400 0.001 0.000 1.700 148 E CB -0.141 29.549 29.700 -0.017 0.000 1.410 148 E HN 0.343 nan 8.360 nan 0.000 0.445 149 L N -1.089 120.150 121.223 0.028 0.000 3.705 149 L HA 0.263 4.619 4.340 0.028 0.000 0.382 149 L C 0.312 177.273 176.870 0.153 0.000 0.971 149 L CA 0.283 55.134 54.840 0.019 0.000 1.566 149 L CB 0.022 42.083 42.059 0.004 0.000 2.300 149 L HN 0.229 nan 8.230 nan 0.000 0.609 150 A N 1.104 124.037 122.820 0.189 0.000 2.466 150 A HA 0.367 4.704 4.320 0.028 0.000 0.238 150 A C -0.246 177.475 177.584 0.230 0.000 1.074 150 A CA 0.353 52.547 52.037 0.262 0.000 0.774 150 A CB 0.275 19.373 19.000 0.164 0.000 1.015 150 A HN 0.464 nan 8.150 nan 0.000 0.498 151 Q N 0.041 119.996 119.800 0.258 0.000 2.274 151 Q HA 0.352 4.709 4.340 0.028 0.000 0.260 151 Q C -0.714 175.373 176.000 0.146 0.000 0.974 151 Q CA -0.486 55.424 55.803 0.179 0.000 0.876 151 Q CB 1.664 30.477 28.738 0.125 0.000 1.297 151 Q HN 0.749 nan 8.270 nan 0.000 0.446 152 T N 1.639 116.253 114.554 0.100 0.000 2.751 152 T HA 0.129 4.495 4.350 0.028 0.000 0.290 152 T C -0.352 174.394 174.700 0.077 0.000 0.919 152 T CA -0.099 62.046 62.100 0.075 0.000 1.136 152 T CB 0.178 69.078 68.868 0.054 0.000 0.875 152 T HN 0.253 nan 8.240 nan 0.000 0.532 153 V N 3.800 123.746 119.914 0.053 0.000 2.459 153 V HA 0.686 4.823 4.120 0.028 0.000 0.295 153 V C -0.210 175.864 176.094 -0.033 0.000 1.029 153 V CA -0.397 61.919 62.300 0.026 0.000 0.874 153 V CB 1.983 33.810 31.823 0.006 0.000 0.985 153 V HN 0.837 nan 8.190 nan 0.000 0.438 154 S N 5.041 120.718 115.700 -0.038 0.000 2.482 154 S HA 0.419 4.906 4.470 0.028 0.000 0.303 154 S C 0.846 175.376 174.600 -0.116 0.000 1.091 154 S CA -0.641 57.512 58.200 -0.079 0.000 1.057 154 S CB 1.498 64.688 63.200 -0.016 0.000 1.031 154 S HN 0.875 nan 8.310 nan 0.000 0.485 155 I N 4.384 124.817 120.570 -0.228 0.000 2.761 155 I HA -0.226 3.960 4.170 0.028 0.000 0.266 155 I C 1.001 177.062 176.117 -0.094 0.000 1.239 155 I CA 1.398 62.556 61.300 -0.236 0.000 1.451 155 I CB -0.147 37.558 38.000 -0.491 0.000 1.096 155 I HN 0.638 nan 8.210 nan 0.000 0.465 156 N N 0.892 119.569 118.700 -0.038 0.000 2.106 156 N HA -0.164 4.592 4.740 0.028 0.000 0.188 156 N C 0.738 176.244 175.510 -0.008 0.000 1.029 156 N CA 0.934 53.988 53.050 0.006 0.000 0.848 156 N CB -0.316 38.188 38.487 0.028 0.000 1.007 156 N HN 0.269 nan 8.380 nan 0.000 0.423 157 D N 0.345 120.736 120.400 -0.016 0.000 2.385 157 D HA -0.049 4.607 4.640 0.028 0.000 0.260 157 D C 0.665 176.945 176.300 -0.034 0.000 1.326 157 D CA 0.357 54.349 54.000 -0.014 0.000 1.023 157 D CB 0.322 41.120 40.800 -0.003 0.000 1.083 157 D HN 0.124 nan 8.370 nan 0.000 0.517 158 T N 1.924 116.461 114.554 -0.028 0.000 3.023 158 T HA -0.149 4.218 4.350 0.028 0.000 0.266 158 T C 1.313 175.986 174.700 -0.044 0.000 1.093 158 T CA 0.872 62.950 62.100 -0.036 0.000 1.129 158 T CB 0.082 68.936 68.868 -0.023 0.000 0.899 158 T HN 0.264 nan 8.240 nan 0.000 0.491 159 D N -0.209 120.168 120.400 -0.038 0.000 2.348 159 D HA 0.021 4.678 4.640 0.028 0.000 0.216 159 D C 1.672 177.930 176.300 -0.070 0.000 0.970 159 D CA 0.307 54.279 54.000 -0.045 0.000 0.889 159 D CB -0.121 40.661 40.800 -0.030 0.000 0.912 159 D HN 0.343 nan 8.370 nan 0.000 0.524 160 L N -0.504 120.672 121.223 -0.078 0.000 2.145 160 L HA 0.127 4.484 4.340 0.028 0.000 0.201 160 L C 1.626 178.406 176.870 -0.149 0.000 1.075 160 L CA 1.009 55.775 54.840 -0.123 0.000 0.773 160 L CB -0.406 41.593 42.059 -0.101 0.000 0.936 160 L HN -0.003 nan 8.230 nan 0.000 0.451 161 L N -0.144 121.008 121.223 -0.118 0.000 2.191 161 L HA -0.138 4.218 4.340 0.028 0.000 0.212 161 L C 2.596 179.401 176.870 -0.108 0.000 1.103 161 L CA 1.273 56.042 54.840 -0.117 0.000 0.769 161 L CB -1.001 40.999 42.059 -0.098 0.000 0.908 161 L HN 0.250 nan 8.230 nan 0.000 0.438 162 R N 0.193 120.635 120.500 -0.097 0.000 2.127 162 R HA -0.167 4.189 4.340 0.028 0.000 0.238 162 R C 2.020 178.258 176.300 -0.104 0.000 1.134 162 R CA 1.591 57.640 56.100 -0.085 0.000 0.975 162 R CB -0.092 30.163 30.300 -0.075 0.000 0.865 162 R HN 0.369 nan 8.270 nan 0.000 0.447 163 K N -0.559 119.757 120.400 -0.140 0.000 2.056 163 K HA 0.103 4.439 4.320 0.028 0.000 0.205 163 K C 2.054 178.551 176.600 -0.172 0.000 1.035 163 K CA 1.296 57.482 56.287 -0.169 0.000 0.955 163 K CB -0.250 32.110 32.500 -0.234 0.000 0.769 163 K HN 0.051 nan 8.250 nan 0.000 0.447 164 I N 2.023 122.474 120.570 -0.199 0.000 2.285 164 I HA -0.372 3.814 4.170 0.028 0.000 0.253 164 I C 2.493 178.531 176.117 -0.130 0.000 1.104 164 I CA 1.351 62.542 61.300 -0.181 0.000 1.372 164 I CB -0.574 37.322 38.000 -0.174 0.000 1.057 164 I HN 0.240 nan 8.210 nan 0.000 0.431 165 A N 0.800 123.554 122.820 -0.110 0.000 1.873 165 A HA -0.167 4.169 4.320 0.028 0.000 0.215 165 A C 2.352 179.891 177.584 -0.076 0.000 1.186 165 A CA 1.511 53.499 52.037 -0.082 0.000 0.616 165 A CB -0.497 18.463 19.000 -0.067 0.000 0.823 165 A HN 0.347 nan 8.150 nan 0.000 0.442 166 M N -0.678 118.873 119.600 -0.082 0.000 2.159 166 M HA -0.111 4.386 4.480 0.028 0.000 0.263 166 M C 1.959 178.212 176.300 -0.079 0.000 1.063 166 M CA 1.784 57.041 55.300 -0.073 0.000 1.110 166 M CB -0.894 31.660 32.600 -0.078 0.000 1.374 166 M HN 0.330 nan 8.290 nan 0.000 0.411 167 T N -0.183 114.309 114.554 -0.103 0.000 2.996 167 T HA -0.118 4.248 4.350 0.028 0.000 0.271 167 T C 1.900 176.548 174.700 -0.087 0.000 1.126 167 T CA 1.617 63.654 62.100 -0.105 0.000 1.103 167 T CB -0.168 68.616 68.868 -0.140 0.000 0.870 167 T HN 0.428 nan 8.240 nan 0.000 0.528 168 S N 0.500 116.153 115.700 -0.078 0.000 2.620 168 S HA 0.082 4.569 4.470 0.028 0.000 0.234 168 S C 1.793 176.361 174.600 -0.053 0.000 1.064 168 S CA 0.054 58.214 58.200 -0.066 0.000 0.920 168 S CB -0.098 63.064 63.200 -0.063 0.000 0.826 168 S HN 0.372 nan 8.310 nan 0.000 0.557 169 L N 1.027 122.222 121.223 -0.047 0.000 2.179 169 L HA 0.420 4.777 4.340 0.028 0.000 0.208 169 L C 2.078 178.929 176.870 -0.032 0.000 1.096 169 L CA 1.462 56.281 54.840 -0.036 0.000 0.779 169 L CB -1.464 40.577 42.059 -0.031 0.000 0.922 169 L HN 0.093 nan 8.230 nan 0.000 0.443 170 S N -0.152 115.527 115.700 -0.034 0.000 2.440 170 S HA -0.203 4.284 4.470 0.028 0.000 0.238 170 S C 2.163 176.756 174.600 -0.012 0.000 1.010 170 S CA 1.324 59.510 58.200 -0.022 0.000 0.972 170 S CB -0.528 62.656 63.200 -0.028 0.000 0.774 170 S HN 0.682 nan 8.310 nan 0.000 0.501 171 S N 0.581 116.266 115.700 -0.026 0.000 2.402 171 S HA -0.018 4.469 4.470 0.028 0.000 0.229 171 S C 0.894 175.479 174.600 -0.024 0.000 1.021 171 S CA 0.805 58.987 58.200 -0.030 0.000 0.974 171 S CB -0.045 63.122 63.200 -0.055 0.000 0.800 171 S HN 0.266 nan 8.310 nan 0.000 0.484 172 K N 0.812 121.198 120.400 -0.023 0.000 2.118 172 K HA 0.414 4.750 4.320 0.028 0.000 0.240 172 K C 1.599 178.191 176.600 -0.014 0.000 1.035 172 K CA 0.434 56.710 56.287 -0.019 0.000 0.899 172 K CB -0.190 32.298 32.500 -0.020 0.000 1.085 172 K HN 0.155 nan 8.250 nan 0.000 0.498 173 A N 0.964 123.775 122.820 -0.014 0.000 1.859 173 A HA -0.145 4.192 4.320 0.028 0.000 0.218 173 A C 0.949 178.525 177.584 -0.013 0.000 1.209 173 A CA 1.621 53.651 52.037 -0.013 0.000 0.639 173 A CB -0.837 18.154 19.000 -0.014 0.000 0.835 173 A HN 0.372 nan 8.150 nan 0.000 0.450 174 V N 0.645 120.548 119.914 -0.019 0.000 2.459 174 V HA 0.186 4.322 4.120 0.028 0.000 0.255 174 V C 1.209 177.290 176.094 -0.021 0.000 1.015 174 V CA 0.714 63.000 62.300 -0.024 0.000 1.163 174 V CB -0.350 31.453 31.823 -0.033 0.000 1.109 174 V HN 0.609 nan 8.190 nan 0.000 0.473 175 A N 3.944 126.755 122.820 -0.014 0.000 2.470 175 A HA 0.540 4.877 4.320 0.028 0.000 0.251 175 A C 1.237 178.813 177.584 -0.013 0.000 1.245 175 A CA 0.342 52.374 52.037 -0.008 0.000 0.932 175 A CB 0.131 19.137 19.000 0.010 0.000 1.037 175 A HN 0.744 nan 8.150 nan 0.000 0.522 176 G N -1.137 107.650 108.800 -0.022 0.000 2.483 176 G HA2 0.500 4.477 3.960 0.028 0.000 0.248 176 G HA3 0.500 4.477 3.960 0.028 0.000 0.248 176 G C 0.780 175.662 174.900 -0.030 0.000 1.248 176 G CA 0.061 45.146 45.100 -0.026 0.000 0.838 176 G HN 1.508 nan 8.290 nan 0.000 0.566 177 A N 1.551 124.360 122.820 -0.018 0.000 1.928 177 A HA -0.194 4.143 4.320 0.028 0.000 0.252 177 A C 2.124 179.719 177.584 0.018 0.000 1.250 177 A CA 1.331 53.371 52.037 0.005 0.000 0.764 177 A CB -0.616 18.392 19.000 0.014 0.000 1.129 177 A HN 1.010 nan 8.150 nan 0.000 0.318 178 R N 0.190 120.696 120.500 0.009 0.000 2.153 178 R HA -0.079 4.277 4.340 0.028 0.000 0.218 178 R C 1.171 177.495 176.300 0.039 0.000 1.072 178 R CA 1.112 57.220 56.100 0.012 0.000 0.990 178 R CB -0.277 30.017 30.300 -0.010 0.000 0.889 178 R HN 0.629 nan 8.270 nan 0.000 0.452 179 E N 0.930 121.152 120.200 0.037 0.000 2.130 179 E HA -0.221 4.145 4.350 0.028 0.000 0.196 179 E C 1.622 178.265 176.600 0.072 0.000 0.998 179 E CA 1.247 57.665 56.400 0.029 0.000 0.806 179 E CB -0.414 29.294 29.700 0.014 0.000 0.738 179 E HN 0.383 nan 8.360 nan 0.000 0.459 180 Y N 1.218 121.498 120.300 -0.034 0.000 2.097 180 Y HA -0.236 4.330 4.550 0.027 0.000 0.282 180 Y C 2.209 178.089 175.900 -0.034 0.000 1.152 180 Y CA 1.493 59.574 58.100 -0.031 0.000 1.136 180 Y CB -0.324 38.120 38.460 -0.028 0.000 0.975 180 Y HN -0.022 nan 8.280 nan 0.000 0.498 181 I N 0.067 120.800 120.570 0.271 0.000 2.252 181 I HA -0.216 3.970 4.170 0.028 0.000 0.245 181 I C 2.670 178.825 176.117 0.063 0.000 1.102 181 I CA 1.343 62.731 61.300 0.147 0.000 1.385 181 I CB -2.085 35.948 38.000 0.055 0.000 1.064 181 I HN 0.308 nan 8.210 nan 0.000 0.414 182 A N 0.891 123.733 122.820 0.036 0.000 1.873 182 A HA -0.293 4.044 4.320 0.028 0.000 0.218 182 A C 2.239 179.815 177.584 -0.014 0.000 1.193 182 A CA 2.263 54.297 52.037 -0.004 0.000 0.629 182 A CB -0.926 18.062 19.000 -0.019 0.000 0.826 182 A HN 0.456 nan 8.150 nan 0.000 0.447 183 D N -0.148 120.243 120.400 -0.014 0.000 2.116 183 D HA -0.171 4.485 4.640 0.028 0.000 0.193 183 D C 1.948 178.229 176.300 -0.031 0.000 0.998 183 D CA 1.638 55.616 54.000 -0.036 0.000 0.836 183 D CB -0.160 40.604 40.800 -0.061 0.000 0.951 183 D HN 0.276 nan 8.370 nan 0.000 0.449 184 I N 1.160 121.718 120.570 -0.020 0.000 2.091 184 I HA -0.261 3.925 4.170 0.028 0.000 0.239 184 I C 2.832 178.940 176.117 -0.014 0.000 1.061 184 I CA 0.662 61.952 61.300 -0.017 0.000 1.317 184 I CB -1.477 36.533 38.000 0.017 0.000 1.031 184 I HN -0.007 nan 8.210 nan 0.000 0.401 185 V N 0.789 120.697 119.914 -0.010 0.000 2.317 185 V HA -0.297 3.839 4.120 0.028 0.000 0.251 185 V C 2.695 178.776 176.094 -0.022 0.000 1.065 185 V CA 1.720 64.010 62.300 -0.017 0.000 1.049 185 V CB -0.798 31.012 31.823 -0.021 0.000 0.651 185 V HN 0.223 nan 8.190 nan 0.000 0.450 186 V N -0.349 119.549 119.914 -0.027 0.000 2.261 186 V HA -0.284 3.853 4.120 0.028 0.000 0.246 186 V C 2.415 178.502 176.094 -0.012 0.000 1.047 186 V CA 2.284 64.566 62.300 -0.030 0.000 1.015 186 V CB -0.754 31.046 31.823 -0.038 0.000 0.642 186 V HN 0.536 nan 8.190 nan 0.000 0.446 187 K N 0.494 120.895 120.400 0.000 0.000 2.063 187 K HA -0.162 4.175 4.320 0.028 0.000 0.208 187 K C 2.322 178.949 176.600 0.045 0.000 1.048 187 K CA 1.531 57.836 56.287 0.031 0.000 0.928 187 K CB -0.527 32.001 32.500 0.046 0.000 0.713 187 K HN 0.466 nan 8.250 nan 0.000 0.442 188 A N 1.125 123.957 122.820 0.019 0.000 1.940 188 A HA -0.151 4.186 4.320 0.028 0.000 0.219 188 A C 2.378 179.975 177.584 0.021 0.000 1.176 188 A CA 1.734 53.781 52.037 0.015 0.000 0.631 188 A CB -0.591 18.403 19.000 -0.011 0.000 0.814 188 A HN 0.095 nan 8.150 nan 0.000 0.446 189 V N 0.050 119.970 119.914 0.009 0.000 2.331 189 V HA -0.169 3.968 4.120 0.028 0.000 0.242 189 V C 2.834 178.945 176.094 0.030 0.000 1.034 189 V CA 2.130 64.433 62.300 0.006 0.000 1.027 189 V CB -1.650 30.161 31.823 -0.020 0.000 0.667 189 V HN 0.755 nan 8.190 nan 0.000 0.457 190 T N -1.012 113.558 114.554 0.026 0.000 2.869 190 T HA -0.353 4.014 4.350 0.028 0.000 0.270 190 T C 1.752 176.506 174.700 0.091 0.000 1.082 190 T CA 1.983 64.115 62.100 0.054 0.000 1.123 190 T CB -0.381 68.508 68.868 0.035 0.000 0.856 190 T HN 0.413 nan 8.240 nan 0.000 0.499 191 Q N 0.908 120.756 119.800 0.080 0.000 2.119 191 Q HA 0.023 4.379 4.340 0.028 0.000 0.201 191 Q C 2.149 178.201 176.000 0.086 0.000 0.972 191 Q CA 1.381 57.240 55.803 0.093 0.000 0.847 191 Q CB -0.343 28.468 28.738 0.121 0.000 0.903 191 Q HN 0.533 nan 8.270 nan 0.000 0.433 192 V N 0.408 120.366 119.914 0.072 0.000 3.052 192 V HA 0.245 4.381 4.120 0.028 0.000 0.254 192 V C 1.067 177.209 176.094 0.078 0.000 1.100 192 V CA 0.368 62.703 62.300 0.057 0.000 1.112 192 V CB -1.028 30.809 31.823 0.024 0.000 0.738 192 V HN 0.405 nan 8.190 nan 0.000 0.469 193 A N 0.867 123.766 122.820 0.132 0.000 2.583 193 A HA 0.180 4.516 4.320 0.028 0.000 0.231 193 A C 0.345 178.058 177.584 0.215 0.000 1.065 193 A CA 0.759 52.949 52.037 0.256 0.000 0.760 193 A CB 0.015 19.273 19.000 0.429 0.000 1.001 193 A HN 0.616 nan 8.150 nan 0.000 0.509 194 E N -0.752 119.561 120.200 0.188 0.000 2.458 194 E HA 0.532 4.899 4.350 0.028 0.000 0.278 194 E C -1.793 174.590 176.600 -0.361 0.000 1.004 194 E CA -0.844 55.523 56.400 -0.055 0.000 0.823 194 E CB 1.298 31.011 29.700 0.021 0.000 1.396 194 E HN 0.327 nan 8.360 nan 0.000 0.463 195 L N 1.581 122.536 121.223 -0.448 0.000 2.732 195 L HA 0.301 4.658 4.340 0.028 0.000 0.246 195 L C -0.191 176.513 176.870 -0.277 0.000 1.407 195 L CA -0.032 54.447 54.840 -0.603 0.000 0.861 195 L CB 0.267 41.875 42.059 -0.751 0.000 1.161 195 L HN 0.221 nan 8.230 nan 0.000 0.510 196 R N 1.602 122.018 120.500 -0.140 0.000 3.097 196 R HA 0.352 4.709 4.340 0.028 0.000 0.212 196 R C 0.786 177.038 176.300 -0.080 0.000 1.651 196 R CA 0.389 56.442 56.100 -0.077 0.000 1.134 196 R CB -0.439 29.841 30.300 -0.033 0.000 1.241 196 R HN 0.622 nan 8.270 nan 0.000 0.640 197 G N 3.281 112.026 108.800 -0.092 0.000 2.546 197 G HA2 -0.281 3.696 3.960 0.028 0.000 0.285 197 G HA3 -0.281 3.696 3.960 0.028 0.000 0.285 197 G C 0.092 174.952 174.900 -0.066 0.000 1.105 197 G CA -0.012 45.047 45.100 -0.068 0.000 1.189 197 G HN 0.967 nan 8.290 nan 0.000 0.534 198 D N -1.649 118.690 120.400 -0.101 0.000 2.978 198 D HA -0.268 4.388 4.640 0.028 0.000 0.226 198 D C 0.395 176.681 176.300 -0.023 0.000 1.189 198 D CA 2.106 56.058 54.000 -0.080 0.000 0.810 198 D CB -0.772 40.019 40.800 -0.016 0.000 1.096 198 D HN 0.967 nan 8.370 nan 0.000 0.414 199 K N 0.452 120.826 120.400 -0.044 0.000 2.579 199 K HA 0.304 4.640 4.320 0.028 0.000 0.225 199 K C -0.614 176.047 176.600 0.102 0.000 0.992 199 K CA -0.959 55.373 56.287 0.075 0.000 1.018 199 K CB 0.380 32.913 32.500 0.055 0.000 1.249 199 K HN 0.092 nan 8.250 nan 0.000 0.489 200 W N 2.233 123.578 121.300 0.075 0.000 2.345 200 W HA -0.106 4.571 4.660 0.029 0.000 0.346 200 W C 0.150 176.780 176.519 0.184 0.000 1.243 200 W CA 0.625 58.029 57.345 0.100 0.000 1.327 200 W CB 0.062 29.562 29.460 0.066 0.000 1.187 200 W HN 0.409 nan 8.180 nan 0.000 0.588 201 Y N 1.857 122.302 120.300 0.241 0.000 2.325 201 Y HA 0.421 4.988 4.550 0.028 0.000 0.336 201 Y C -1.279 174.706 175.900 0.140 0.000 1.130 201 Y CA -1.474 56.714 58.100 0.147 0.000 1.264 201 Y CB 0.327 38.832 38.460 0.075 0.000 1.128 201 Y HN 0.119 nan 8.280 nan 0.000 0.469 202 V N 5.247 125.058 119.914 -0.171 0.000 2.385 202 V HA 0.210 4.346 4.120 0.028 0.000 0.269 202 V C -0.434 175.403 176.094 -0.428 0.000 1.043 202 V CA -0.370 61.811 62.300 -0.198 0.000 0.906 202 V CB 1.308 33.095 31.823 -0.059 0.000 0.995 202 V HN 0.709 nan 8.190 nan 0.000 0.467 203 D N 4.057 124.217 120.400 -0.400 0.000 2.412 203 D HA 0.369 5.025 4.640 0.028 0.000 0.224 203 D C 0.792 177.004 176.300 -0.147 0.000 1.093 203 D CA -0.502 53.292 54.000 -0.343 0.000 0.850 203 D CB 1.444 42.075 40.800 -0.282 0.000 1.046 203 D HN 0.259 nan 8.370 nan 0.000 0.507 204 L N 2.899 124.056 121.223 -0.110 0.000 2.129 204 L HA -0.138 4.219 4.340 0.028 0.000 0.212 204 L C 1.723 178.572 176.870 -0.035 0.000 1.087 204 L CA 1.336 56.141 54.840 -0.057 0.000 0.757 204 L CB -0.506 41.528 42.059 -0.043 0.000 0.896 204 L HN 0.536 nan 8.230 nan 0.000 0.434 205 D N -0.214 120.168 120.400 -0.031 0.000 2.271 205 D HA -0.199 4.458 4.640 0.028 0.000 0.207 205 D C 1.290 177.587 176.300 -0.005 0.000 0.983 205 D CA 1.007 55.000 54.000 -0.011 0.000 0.878 205 D CB -0.400 40.399 40.800 -0.001 0.000 0.920 205 D HN 0.583 nan 8.370 nan 0.000 0.479 206 N N 0.012 118.706 118.700 -0.010 0.000 2.501 206 N HA 0.062 4.819 4.740 0.028 0.000 0.195 206 N C 0.010 175.526 175.510 0.009 0.000 1.213 206 N CA 0.071 53.123 53.050 0.004 0.000 0.864 206 N CB 0.569 39.058 38.487 0.004 0.000 0.999 206 N HN 0.159 nan 8.380 nan 0.000 0.454 207 I N 0.677 121.248 120.570 0.001 0.000 2.478 207 I HA 0.137 4.324 4.170 0.028 0.000 0.287 207 I C -0.560 175.558 176.117 0.001 0.000 1.042 207 I CA -0.626 60.675 61.300 0.002 0.000 1.067 207 I CB 2.198 40.195 38.000 -0.005 0.000 1.233 207 I HN 0.010 nan 8.210 nan 0.000 0.431 208 Q N 5.781 125.584 119.800 0.005 0.000 2.235 208 Q HA 0.643 5.000 4.340 0.028 0.000 0.256 208 Q C -1.593 174.409 176.000 0.003 0.000 0.951 208 Q CA -0.708 55.098 55.803 0.005 0.000 0.890 208 Q CB 2.176 30.921 28.738 0.010 0.000 1.279 208 Q HN 0.546 nan 8.270 nan 0.000 0.444 209 I N 3.746 124.317 120.570 0.001 0.000 2.439 209 I HA 0.249 4.436 4.170 0.028 0.000 0.283 209 I C -0.720 175.397 176.117 -0.000 0.000 1.023 209 I CA -0.562 60.737 61.300 -0.000 0.000 1.100 209 I CB 1.727 39.724 38.000 -0.004 0.000 1.238 209 I HN 0.369 nan 8.210 nan 0.000 0.445 210 V N 3.499 123.415 119.914 0.005 0.000 2.628 210 V HA 0.868 5.005 4.120 0.028 0.000 0.306 210 V C -0.654 175.442 176.094 0.003 0.000 1.045 210 V CA -0.738 61.562 62.300 0.001 0.000 0.905 210 V CB 1.796 33.619 31.823 -0.000 0.000 0.997 210 V HN 0.762 nan 8.190 nan 0.000 0.436 211 K N 2.340 122.738 120.400 -0.004 0.000 2.468 211 K HA 0.794 5.131 4.320 0.028 0.000 0.252 211 K C -1.318 175.278 176.600 -0.007 0.000 0.932 211 K CA -1.017 55.267 56.287 -0.004 0.000 0.794 211 K CB 2.699 35.194 32.500 -0.008 0.000 1.241 211 K HN 0.492 nan 8.250 nan 0.000 0.428 212 K N 1.772 122.169 120.400 -0.005 0.000 2.553 212 K HA 0.414 4.750 4.320 0.028 0.000 0.250 212 K C -0.563 176.033 176.600 -0.007 0.000 0.953 212 K CA -0.542 55.741 56.287 -0.007 0.000 0.800 212 K CB 2.151 34.647 32.500 -0.006 0.000 1.243 212 K HN 0.949 nan 8.250 nan 0.000 0.435 213 A N 1.023 123.837 122.820 -0.010 0.000 2.582 213 A HA 0.403 4.739 4.320 0.028 0.000 0.248 213 A C 0.561 178.140 177.584 -0.009 0.000 1.127 213 A CA 1.334 53.364 52.037 -0.012 0.000 0.822 213 A CB -0.304 18.690 19.000 -0.011 0.000 1.069 213 A HN 1.001 nan 8.150 nan 0.000 0.522 214 G N -1.844 106.949 108.800 -0.012 0.000 2.931 214 G HA2 0.581 4.557 3.960 0.028 0.000 0.675 214 G HA3 0.581 4.557 3.960 0.028 0.000 0.675 214 G C 0.766 175.656 174.900 -0.017 0.000 1.339 214 G CA 0.234 45.328 45.100 -0.010 0.000 0.866 214 G HN 2.899 nan 8.290 nan 0.000 0.616 215 G N 1.053 109.844 108.800 -0.016 0.000 2.566 215 G HA2 0.242 4.219 3.960 0.028 0.000 0.308 215 G HA3 0.242 4.219 3.960 0.028 0.000 0.308 215 G C 1.092 175.971 174.900 -0.035 0.000 1.317 215 G CA 1.276 46.362 45.100 -0.023 0.000 0.930 215 G HN 2.489 nan 8.290 nan 0.000 0.547 216 S N -1.347 114.324 115.700 -0.048 0.000 2.694 216 S HA 0.618 5.105 4.470 0.028 0.000 0.278 216 S C 1.672 176.211 174.600 -0.102 0.000 1.152 216 S CA -0.097 58.061 58.200 -0.069 0.000 1.010 216 S CB 1.227 64.383 63.200 -0.073 0.000 1.104 216 S HN 0.700 nan 8.310 nan 0.000 0.547 217 I N 0.934 121.423 120.570 -0.135 0.000 2.676 217 I HA -0.084 4.103 4.170 0.028 0.000 0.259 217 I C 1.335 177.245 176.117 -0.345 0.000 1.194 217 I CA 0.639 61.827 61.300 -0.186 0.000 1.473 217 I CB -0.890 37.010 38.000 -0.166 0.000 1.096 217 I HN 0.558 nan 8.210 nan 0.000 0.443 218 N N 0.901 119.370 118.700 -0.384 0.000 2.453 218 N HA -0.133 4.623 4.740 0.028 0.000 0.183 218 N C 0.825 176.122 175.510 -0.355 0.000 1.041 218 N CA 0.834 53.500 53.050 -0.639 0.000 0.900 218 N CB -0.144 38.164 38.487 -0.298 0.000 0.961 218 N HN 0.267 nan 8.380 nan 0.000 0.443 219 D N -0.123 120.173 120.400 -0.173 0.000 2.325 219 D HA -0.005 4.652 4.640 0.028 0.000 0.234 219 D C 0.230 176.517 176.300 -0.021 0.000 1.122 219 D CA 0.366 54.337 54.000 -0.047 0.000 0.850 219 D CB -0.175 40.605 40.800 -0.032 0.000 0.921 219 D HN 0.307 nan 8.370 nan 0.000 0.513 220 T N -2.003 112.514 114.554 -0.061 0.000 2.907 220 T HA 0.551 4.917 4.350 0.028 0.000 0.284 220 T C -0.182 174.591 174.700 0.121 0.000 1.004 220 T CA -0.743 61.359 62.100 0.003 0.000 1.063 220 T CB 2.989 71.830 68.868 -0.044 0.000 0.992 220 T HN -0.051 nan 8.240 nan 0.000 0.483 221 Q N 0.994 120.843 119.800 0.080 0.000 2.534 221 Q HA 0.591 4.948 4.340 0.028 0.000 0.290 221 Q C -1.748 174.242 176.000 -0.017 0.000 0.991 221 Q CA -1.175 54.664 55.803 0.060 0.000 0.783 221 Q CB 2.035 30.785 28.738 0.021 0.000 1.470 221 Q HN 0.904 nan 8.270 nan 0.000 0.406 222 L N -0.253 120.913 121.223 -0.095 0.000 2.309 222 L HA 0.841 5.198 4.340 0.028 0.000 0.282 222 L C -1.105 175.575 176.870 -0.317 0.000 1.036 222 L CA -0.927 53.802 54.840 -0.185 0.000 0.806 222 L CB 1.556 43.475 42.059 -0.235 0.000 1.220 222 L HN 0.275 nan 8.230 nan 0.000 0.429 223 V N 3.404 123.166 119.914 -0.254 0.000 2.435 223 V HA 0.226 4.363 4.120 0.028 0.000 0.290 223 V C -0.379 175.561 176.094 -0.256 0.000 1.030 223 V CA -0.311 61.847 62.300 -0.237 0.000 0.881 223 V CB 1.262 33.055 31.823 -0.050 0.000 0.983 223 V HN 0.630 nan 8.190 nan 0.000 0.445 224 Y N 3.579 123.879 120.300 0.000 0.000 3.103 224 Y HA 0.539 5.105 4.550 0.028 0.000 0.389 224 Y C 1.122 177.038 175.900 0.027 0.000 1.082 224 Y CA 0.516 58.622 58.100 0.011 0.000 1.987 224 Y CB -0.104 38.356 38.460 -0.001 0.000 2.096 224 Y HN 0.850 nan 8.280 nan 0.000 0.423 225 G N -0.850 108.023 108.800 0.121 0.000 2.322 225 G HA2 0.269 4.246 3.960 0.028 0.000 0.295 225 G HA3 0.269 4.246 3.960 0.028 0.000 0.295 225 G C -1.441 173.517 174.900 0.095 0.000 1.369 225 G CA -1.164 44.003 45.100 0.112 0.000 0.821 225 G HN -0.081 nan 8.290 nan 0.000 0.536 226 I N 0.151 120.773 120.570 0.087 0.000 2.754 226 I HA 0.372 4.559 4.170 0.028 0.000 0.285 226 I C 0.362 176.538 176.117 0.099 0.000 1.166 226 I CA -0.362 60.981 61.300 0.071 0.000 1.417 226 I CB 0.975 39.002 38.000 0.046 0.000 1.382 226 I HN 0.178 nan 8.210 nan 0.000 0.588 227 V N 6.256 126.211 119.914 0.069 0.000 2.482 227 V HA 0.270 4.407 4.120 0.028 0.000 0.295 227 V C -0.113 175.939 176.094 -0.069 0.000 1.026 227 V CA -0.718 61.601 62.300 0.032 0.000 0.856 227 V CB 1.998 33.894 31.823 0.121 0.000 1.001 227 V HN 0.424 nan 8.190 nan 0.000 0.424 228 V N 3.431 123.264 119.914 -0.135 0.000 2.348 228 V HA 0.241 4.378 4.120 0.028 0.000 0.270 228 V C 0.220 176.218 176.094 -0.161 0.000 1.037 228 V CA -0.345 61.884 62.300 -0.118 0.000 0.872 228 V CB 1.433 33.203 31.823 -0.089 0.000 1.002 228 V HN 0.948 nan 8.190 nan 0.000 0.464 229 D N 5.252 125.583 120.400 -0.115 0.000 2.470 229 D HA 0.304 4.961 4.640 0.028 0.000 0.226 229 D C -0.120 176.131 176.300 -0.082 0.000 1.196 229 D CA 0.178 54.113 54.000 -0.108 0.000 0.979 229 D CB 0.015 40.773 40.800 -0.071 0.000 1.059 229 D HN 0.329 nan 8.370 nan 0.000 0.515 230 K N 2.726 123.070 120.400 -0.093 0.000 2.577 230 K HA 0.056 4.392 4.320 0.028 0.000 0.267 230 K C -1.087 175.472 176.600 -0.068 0.000 0.979 230 K CA -0.531 55.717 56.287 -0.064 0.000 0.942 230 K CB 1.172 33.643 32.500 -0.048 0.000 1.343 230 K HN 0.516 nan 8.250 nan 0.000 0.436 231 E N 2.126 122.295 120.200 -0.053 0.000 2.436 231 E HA 0.103 4.469 4.350 0.028 0.000 0.262 231 E C 0.358 176.940 176.600 -0.030 0.000 1.063 231 E CA -0.363 56.010 56.400 -0.044 0.000 0.944 231 E CB 0.727 30.408 29.700 -0.032 0.000 0.950 231 E HN 0.352 nan 8.360 nan 0.000 0.444 232 V N 1.913 121.813 119.914 -0.023 0.000 3.332 232 V HA -0.065 4.071 4.120 0.028 0.000 0.305 232 V C 1.238 177.338 176.094 0.011 0.000 1.114 232 V CA 0.079 62.376 62.300 -0.005 0.000 1.194 232 V CB 1.048 32.873 31.823 0.003 0.000 1.027 232 V HN 0.715 nan 8.190 nan 0.000 0.492 233 V N 0.790 120.725 119.914 0.035 0.000 2.407 233 V HA 0.067 4.203 4.120 0.028 0.000 0.245 233 V C 0.884 177.048 176.094 0.117 0.000 1.041 233 V CA 1.996 64.331 62.300 0.059 0.000 1.040 233 V CB -0.518 31.338 31.823 0.055 0.000 0.671 233 V HN 1.147 nan 8.190 nan 0.000 0.455 234 H N -0.187 118.885 119.070 0.003 0.000 2.717 234 H HA 0.477 5.050 4.556 0.028 0.000 0.366 234 H C -2.062 173.269 175.328 0.005 0.000 1.132 234 H CA -1.746 54.306 56.048 0.006 0.000 1.180 234 H CB 2.386 32.155 29.762 0.012 0.000 1.678 234 H HN -0.086 nan 8.280 nan 0.000 0.537 235 P HA 0.004 nan 4.420 nan 0.000 0.223 235 P C 0.801 177.948 177.300 -0.256 0.000 1.151 235 P CA 1.079 63.980 63.100 -0.332 0.000 0.787 235 P CB 0.188 31.698 31.700 -0.316 0.000 0.788 236 G N -0.377 108.219 108.800 -0.340 0.000 3.379 236 G HA2 0.275 4.251 3.960 0.028 0.000 0.253 236 G HA3 0.275 4.251 3.960 0.028 0.000 0.253 236 G C 0.401 175.378 174.900 0.129 0.000 1.262 236 G CA -0.188 44.931 45.100 0.033 0.000 0.959 236 G HN 0.220 nan 8.290 nan 0.000 0.524 237 M N -0.173 119.473 119.600 0.076 0.000 2.664 237 M HA 0.343 4.840 4.480 0.028 0.000 0.314 237 M C -2.629 173.696 176.300 0.042 0.000 1.200 237 M CA -2.143 53.204 55.300 0.077 0.000 0.916 237 M CB 2.271 34.925 32.600 0.090 0.000 1.717 237 M HN -0.259 nan 8.290 nan 0.000 0.470 238 P HA 0.053 nan 4.420 nan 0.000 0.261 238 P C -0.643 176.675 177.300 0.031 0.000 1.203 238 P CA 0.301 63.421 63.100 0.033 0.000 0.767 238 P CB 0.196 31.917 31.700 0.036 0.000 0.785 239 K N 2.837 123.253 120.400 0.027 0.000 2.520 239 K HA 0.123 4.459 4.320 0.028 0.000 0.205 239 K C 0.458 177.082 176.600 0.039 0.000 1.035 239 K CA 0.075 56.379 56.287 0.028 0.000 1.188 239 K CB 0.259 32.772 32.500 0.021 0.000 0.894 239 K HN 0.331 nan 8.250 nan 0.000 0.497 240 R N 1.171 121.695 120.500 0.039 0.000 3.270 240 R HA 0.108 4.465 4.340 0.028 0.000 0.299 240 R C -1.930 174.394 176.300 0.041 0.000 1.188 240 R CA -0.293 55.834 56.100 0.045 0.000 1.090 240 R CB 0.486 30.810 30.300 0.040 0.000 1.329 240 R HN -0.040 nan 8.270 nan 0.000 0.381 241 L N 2.658 123.908 121.223 0.045 0.000 2.317 241 L HA 0.507 4.863 4.340 0.028 0.000 0.281 241 L C 0.129 177.025 176.870 0.043 0.000 1.024 241 L CA -0.723 54.143 54.840 0.043 0.000 0.810 241 L CB 1.613 43.699 42.059 0.046 0.000 1.240 241 L HN 0.635 nan 8.230 nan 0.000 0.427 242 E N 2.324 122.545 120.200 0.036 0.000 2.259 242 E HA 0.175 4.542 4.350 0.028 0.000 0.281 242 E C 0.047 176.669 176.600 0.036 0.000 1.027 242 E CA 0.001 56.421 56.400 0.032 0.000 0.838 242 E CB 0.415 30.129 29.700 0.023 0.000 1.066 242 E HN 0.492 nan 8.360 nan 0.000 0.401 243 N N 2.123 120.846 118.700 0.038 0.000 2.586 243 N HA -0.252 4.505 4.740 0.028 0.000 0.282 243 N C -1.632 173.918 175.510 0.068 0.000 1.171 243 N CA 0.788 53.863 53.050 0.042 0.000 0.733 243 N CB -0.604 37.894 38.487 0.018 0.000 0.910 243 N HN 0.479 nan 8.380 nan 0.000 0.548 244 A N 3.078 125.950 122.820 0.087 0.000 2.271 244 A HA 0.648 4.985 4.320 0.028 0.000 0.288 244 A C 0.176 177.854 177.584 0.156 0.000 1.094 244 A CA -0.389 51.708 52.037 0.099 0.000 0.828 244 A CB 0.753 19.800 19.000 0.078 0.000 1.091 244 A HN 0.511 nan 8.150 nan 0.000 0.493 245 K N 1.749 122.228 120.400 0.132 0.000 2.753 245 K HA 0.329 4.666 4.320 0.028 0.000 0.185 245 K C -1.109 175.501 176.600 0.017 0.000 1.071 245 K CA -0.027 56.339 56.287 0.131 0.000 0.999 245 K CB 0.754 33.366 32.500 0.186 0.000 1.244 245 K HN 0.668 nan 8.250 nan 0.000 0.594 246 I N 1.783 122.349 120.570 -0.007 0.000 2.880 246 I HA -0.117 4.070 4.170 0.028 0.000 0.296 246 I C 0.533 176.617 176.117 -0.054 0.000 1.220 246 I CA 0.439 61.725 61.300 -0.023 0.000 1.435 246 I CB 0.501 38.489 38.000 -0.019 0.000 1.339 246 I HN 0.458 nan 8.210 nan 0.000 0.583 247 A N 7.774 130.574 122.820 -0.034 0.000 2.483 247 A HA 0.489 4.826 4.320 0.028 0.000 0.308 247 A C -0.503 177.063 177.584 -0.030 0.000 1.291 247 A CA -0.610 51.404 52.037 -0.038 0.000 0.774 247 A CB 0.345 19.330 19.000 -0.025 0.000 1.134 247 A HN 0.501 nan 8.150 nan 0.000 0.471 248 L N 4.240 125.442 121.223 -0.035 0.000 2.505 248 L HA 0.148 4.504 4.340 0.028 0.000 0.279 248 L C -0.151 176.704 176.870 -0.025 0.000 1.211 248 L CA 0.489 55.312 54.840 -0.027 0.000 1.059 248 L CB -0.898 41.145 42.059 -0.027 0.000 1.340 248 L HN 0.472 nan 8.230 nan 0.000 0.447 249 I N 2.405 122.962 120.570 -0.022 0.000 2.291 249 I HA 0.131 4.318 4.170 0.028 0.000 0.290 249 I C 0.445 176.551 176.117 -0.019 0.000 1.050 249 I CA -0.285 61.002 61.300 -0.021 0.000 1.245 249 I CB 1.200 39.186 38.000 -0.023 0.000 1.405 249 I HN 0.345 nan 8.210 nan 0.000 0.478 250 D N 7.001 127.391 120.400 -0.018 0.000 2.467 250 D HA 0.670 5.327 4.640 0.028 0.000 0.220 250 D C -0.499 175.792 176.300 -0.015 0.000 1.103 250 D CA -0.006 53.985 54.000 -0.015 0.000 0.886 250 D CB 0.802 41.594 40.800 -0.013 0.000 1.025 250 D HN 0.718 nan 8.370 nan 0.000 0.514 251 A N 1.953 124.763 122.820 -0.017 0.000 2.481 251 A HA 0.450 4.787 4.320 0.028 0.000 0.295 251 A C -0.676 176.897 177.584 -0.019 0.000 0.986 251 A CA -0.593 51.434 52.037 -0.017 0.000 0.617 251 A CB -0.067 18.923 19.000 -0.018 0.000 1.364 251 A HN 0.468 nan 8.150 nan 0.000 0.452 252 S N -0.235 115.454 115.700 -0.018 0.000 2.525 252 S HA 0.395 4.881 4.470 0.028 0.000 0.285 252 S C -0.159 174.425 174.600 -0.027 0.000 1.283 252 S CA 0.229 58.417 58.200 -0.020 0.000 1.072 252 S CB 0.708 63.898 63.200 -0.017 0.000 0.867 252 S HN 1.880 nan 8.310 nan 0.000 0.492 253 L N 2.704 123.909 121.223 -0.029 0.000 2.783 253 L HA 0.431 4.788 4.340 0.028 0.000 0.265 253 L C -0.457 176.388 176.870 -0.041 0.000 1.398 253 L CA -0.069 54.748 54.840 -0.039 0.000 0.802 253 L CB -0.213 41.823 42.059 -0.039 0.000 1.126 253 L HN 0.954 nan 8.230 nan 0.000 0.529 254 E N -0.313 119.865 120.200 -0.037 0.000 2.408 254 E HA 0.496 4.863 4.350 0.028 0.000 0.275 254 E C -0.533 176.045 176.600 -0.037 0.000 0.935 254 E CA -1.181 55.197 56.400 -0.036 0.000 0.775 254 E CB 2.110 31.793 29.700 -0.027 0.000 1.277 254 E HN 0.041 nan 8.360 nan 0.000 0.455 255 V N -0.267 119.623 119.914 -0.041 0.000 2.752 255 V HA -0.007 4.129 4.120 0.028 0.000 0.306 255 V C 0.050 176.126 176.094 -0.030 0.000 1.099 255 V CA 0.168 62.443 62.300 -0.041 0.000 1.240 255 V CB 0.525 32.317 31.823 -0.052 0.000 0.887 255 V HN 0.830 nan 8.190 nan 0.000 0.499 256 E N 3.925 124.112 120.200 -0.022 0.000 2.257 256 E HA 0.219 4.586 4.350 0.028 0.000 0.278 256 E C 0.229 176.828 176.600 -0.000 0.000 1.049 256 E CA -0.041 56.355 56.400 -0.007 0.000 0.876 256 E CB 0.579 30.282 29.700 0.004 0.000 1.035 256 E HN 0.827 nan 8.360 nan 0.000 0.419 257 K N 4.969 125.369 120.400 0.001 0.000 2.484 257 K HA 0.019 4.355 4.320 0.028 0.000 0.280 257 K C -1.938 174.679 176.600 0.029 0.000 1.013 257 K CA -0.918 55.374 56.287 0.009 0.000 1.029 257 K CB 0.633 33.137 32.500 0.007 0.000 0.902 257 K HN 0.335 nan 8.250 nan 0.000 0.481 258 P HA 0.032 nan 4.420 nan 0.000 0.282 258 P C 0.170 177.521 177.300 0.084 0.000 1.327 258 P CA -0.169 62.986 63.100 0.092 0.000 0.949 258 P CB 0.592 32.403 31.700 0.184 0.000 1.445 259 E N 1.265 121.504 120.200 0.065 0.000 2.077 259 E HA -0.150 4.217 4.350 0.028 0.000 0.193 259 E C 1.653 178.273 176.600 0.033 0.000 0.989 259 E CA 1.407 57.838 56.400 0.051 0.000 0.800 259 E CB -0.432 29.292 29.700 0.040 0.000 0.746 259 E HN 0.117 nan 8.360 nan 0.000 0.452 260 L N 0.552 121.791 121.223 0.026 0.000 2.046 260 L HA -0.074 4.283 4.340 0.028 0.000 0.208 260 L C 1.800 178.680 176.870 0.016 0.000 1.077 260 L CA 2.059 56.910 54.840 0.018 0.000 0.747 260 L CB -1.247 40.820 42.059 0.013 0.000 0.896 260 L HN -0.154 nan 8.230 nan 0.000 0.432 261 D N 0.819 121.232 120.400 0.022 0.000 2.117 261 D HA 0.142 4.799 4.640 0.028 0.000 0.197 261 D C 1.011 177.319 176.300 0.012 0.000 0.987 261 D CA 1.657 55.668 54.000 0.018 0.000 0.829 261 D CB 0.035 40.850 40.800 0.025 0.000 0.961 261 D HN 0.593 nan 8.370 nan 0.000 0.460 262 A N -0.561 122.270 122.820 0.018 0.000 2.587 262 A HA 0.553 4.890 4.320 0.028 0.000 0.293 262 A C -1.105 176.486 177.584 0.012 0.000 1.087 262 A CA -0.589 51.451 52.037 0.005 0.000 0.692 262 A CB 2.185 21.176 19.000 -0.016 0.000 1.291 262 A HN -0.122 nan 8.150 nan 0.000 0.407 263 E N 0.342 120.541 120.200 -0.001 0.000 2.256 263 E HA 0.642 5.008 4.350 0.028 0.000 0.268 263 E C -1.473 175.119 176.600 -0.013 0.000 0.877 263 E CA -0.358 56.044 56.400 0.004 0.000 0.757 263 E CB 2.133 31.835 29.700 0.003 0.000 1.183 263 E HN 0.769 nan 8.360 nan 0.000 0.418 264 I N 0.347 120.908 120.570 -0.014 0.000 3.149 264 I HA 0.585 4.771 4.170 0.028 0.000 0.310 264 I C -1.262 174.840 176.117 -0.025 0.000 1.343 264 I CA -0.952 60.325 61.300 -0.037 0.000 0.955 264 I CB 1.722 39.670 38.000 -0.088 0.000 1.309 264 I HN 0.388 nan 8.210 nan 0.000 0.478 265 R N 3.683 124.164 120.500 -0.032 0.000 2.730 265 R HA 0.806 5.162 4.340 0.028 0.000 0.228 265 R C -1.082 175.205 176.300 -0.022 0.000 1.312 265 R CA -0.573 55.517 56.100 -0.016 0.000 1.093 265 R CB 0.374 30.666 30.300 -0.014 0.000 1.583 265 R HN 0.598 nan 8.270 nan 0.000 0.535 266 I N 0.373 120.939 120.570 -0.006 0.000 2.828 266 I HA 0.196 4.383 4.170 0.028 0.000 0.295 266 I C -0.678 175.442 176.117 0.006 0.000 1.459 266 I CA -0.773 60.528 61.300 0.000 0.000 1.015 266 I CB 2.187 40.205 38.000 0.030 0.000 1.345 266 I HN 0.979 nan 8.210 nan 0.000 0.449 267 N N 3.052 121.754 118.700 0.005 0.000 2.784 267 N HA 0.146 4.903 4.740 0.028 0.000 0.227 267 N C -0.287 175.230 175.510 0.012 0.000 1.109 267 N CA -0.016 53.038 53.050 0.006 0.000 1.184 267 N CB 0.040 38.526 38.487 -0.000 0.000 1.554 267 N HN 0.443 nan 8.380 nan 0.000 0.589 268 D N 1.153 121.561 120.400 0.012 0.000 2.340 268 D HA 0.294 4.951 4.640 0.028 0.000 0.251 268 D C -1.521 174.794 176.300 0.024 0.000 1.080 268 D CA -1.620 52.389 54.000 0.015 0.000 0.971 268 D CB 1.866 42.673 40.800 0.011 0.000 1.137 268 D HN 0.169 nan 8.370 nan 0.000 0.475 269 P HA -0.154 nan 4.420 nan 0.000 0.226 269 P C 1.244 178.565 177.300 0.035 0.000 1.153 269 P CA 0.941 64.059 63.100 0.031 0.000 0.777 269 P CB 0.196 31.910 31.700 0.023 0.000 0.794 270 T N -0.673 113.897 114.554 0.028 0.000 2.788 270 T HA -0.194 4.173 4.350 0.028 0.000 0.268 270 T C 2.073 176.795 174.700 0.037 0.000 1.044 270 T CA 1.684 63.801 62.100 0.027 0.000 1.139 270 T CB -0.425 68.454 68.868 0.018 0.000 0.867 270 T HN -0.046 nan 8.240 nan 0.000 0.454 271 Q N -0.142 119.681 119.800 0.038 0.000 2.123 271 Q HA 0.021 4.377 4.340 0.028 0.000 0.199 271 Q C 2.240 178.304 176.000 0.107 0.000 0.966 271 Q CA 1.392 57.222 55.803 0.045 0.000 0.845 271 Q CB -0.284 28.465 28.738 0.018 0.000 0.907 271 Q HN 0.468 nan 8.270 nan 0.000 0.439 272 M N -0.074 119.595 119.600 0.115 0.000 2.180 272 M HA -0.217 4.279 4.480 0.028 0.000 0.260 272 M C 1.968 178.356 176.300 0.148 0.000 1.071 272 M CA 1.703 57.098 55.300 0.159 0.000 1.096 272 M CB -1.607 31.047 32.600 0.091 0.000 1.276 272 M HN 0.204 nan 8.290 nan 0.000 0.426 273 Q N 1.074 120.925 119.800 0.085 0.000 1.943 273 Q HA -0.188 4.168 4.340 0.028 0.000 0.213 273 Q C 1.995 178.047 176.000 0.086 0.000 1.017 273 Q CA 1.850 57.691 55.803 0.062 0.000 0.874 273 Q CB -0.816 27.948 28.738 0.043 0.000 0.960 273 Q HN 0.546 nan 8.270 nan 0.000 0.417 274 K N -0.350 120.105 120.400 0.092 0.000 2.442 274 K HA -0.134 4.203 4.320 0.028 0.000 0.200 274 K C 1.900 178.608 176.600 0.181 0.000 1.045 274 K CA 0.635 56.982 56.287 0.100 0.000 0.937 274 K CB -0.242 32.300 32.500 0.069 0.000 0.757 274 K HN 0.248 nan 8.250 nan 0.000 0.474 275 F N 0.576 120.527 119.950 0.003 0.000 2.123 275 F HA -0.083 4.461 4.527 0.028 0.000 0.289 275 F C 1.683 177.485 175.800 0.002 0.000 1.099 275 F CA 0.561 58.562 58.000 0.002 0.000 1.234 275 F CB 0.150 39.151 39.000 0.001 0.000 1.034 275 F HN -0.127 nan 8.300 nan 0.000 0.479 276 L N 0.153 121.316 121.223 -0.100 0.000 2.291 276 L HA -0.137 4.220 4.340 0.028 0.000 0.214 276 L C 1.540 178.363 176.870 -0.077 0.000 1.120 276 L CA 0.507 55.209 54.840 -0.231 0.000 0.799 276 L CB -0.673 41.267 42.059 -0.198 0.000 0.925 276 L HN 0.173 nan 8.230 nan 0.000 0.446 277 D N 0.481 120.882 120.400 0.001 0.000 2.091 277 D HA -0.183 4.474 4.640 0.028 0.000 0.199 277 D C 2.051 178.368 176.300 0.029 0.000 0.980 277 D CA 1.487 55.497 54.000 0.017 0.000 0.831 277 D CB -0.094 40.726 40.800 0.033 0.000 0.987 277 D HN 0.493 nan 8.370 nan 0.000 0.460 278 E N 0.949 121.184 120.200 0.057 0.000 2.150 278 E HA -0.191 4.176 4.350 0.028 0.000 0.193 278 E C 1.876 178.504 176.600 0.047 0.000 0.985 278 E CA 0.936 57.372 56.400 0.059 0.000 0.814 278 E CB -0.290 29.458 29.700 0.080 0.000 0.752 278 E HN 0.321 nan 8.360 nan 0.000 0.466 279 E N 1.201 121.426 120.200 0.043 0.000 2.204 279 E HA -0.239 4.127 4.350 0.028 0.000 0.194 279 E C 2.067 178.651 176.600 -0.028 0.000 0.989 279 E CA 1.126 57.529 56.400 0.005 0.000 0.824 279 E CB 0.068 29.722 29.700 -0.077 0.000 0.756 279 E HN 0.481 nan 8.360 nan 0.000 0.477 280 E N 0.170 120.352 120.200 -0.029 0.000 2.170 280 E HA -0.092 4.274 4.350 0.028 0.000 0.191 280 E C 1.487 178.084 176.600 -0.005 0.000 0.981 280 E CA 0.691 57.078 56.400 -0.022 0.000 0.830 280 E CB 0.024 29.717 29.700 -0.011 0.000 0.775 280 E HN 0.322 nan 8.360 nan 0.000 0.470 281 N N 0.336 119.042 118.700 0.011 0.000 2.512 281 N HA -0.093 4.663 4.740 0.028 0.000 0.183 281 N C 1.710 177.215 175.510 -0.010 0.000 1.073 281 N CA -0.008 53.053 53.050 0.019 0.000 0.911 281 N CB 0.116 38.624 38.487 0.035 0.000 0.964 281 N HN 0.133 nan 8.380 nan 0.000 0.447 282 L N 1.092 122.306 121.223 -0.014 0.000 2.072 282 L HA -0.047 4.309 4.340 0.028 0.000 0.205 282 L C 1.734 178.572 176.870 -0.053 0.000 1.079 282 L CA 1.312 56.140 54.840 -0.021 0.000 0.752 282 L CB -0.193 41.863 42.059 -0.005 0.000 0.906 282 L HN 0.086 nan 8.230 nan 0.000 0.436 283 I N -0.458 120.068 120.570 -0.073 0.000 2.406 283 I HA -0.182 4.005 4.170 0.028 0.000 0.249 283 I C 2.281 178.278 176.117 -0.200 0.000 1.122 283 I CA 1.038 62.271 61.300 -0.112 0.000 1.431 283 I CB -1.245 36.693 38.000 -0.104 0.000 1.087 283 I HN 0.303 nan 8.210 nan 0.000 0.424 284 K N 0.608 120.862 120.400 -0.243 0.000 2.209 284 K HA -0.227 4.110 4.320 0.028 0.000 0.204 284 K C 1.935 178.363 176.600 -0.288 0.000 1.048 284 K CA 1.139 57.142 56.287 -0.474 0.000 0.940 284 K CB -0.010 32.342 32.500 -0.246 0.000 0.729 284 K HN 0.186 nan 8.250 nan 0.000 0.451 285 E N 2.079 122.194 120.200 -0.143 0.000 2.015 285 E HA -0.161 4.206 4.350 0.028 0.000 0.191 285 E C 1.526 178.071 176.600 -0.092 0.000 0.991 285 E CA 1.674 58.025 56.400 -0.082 0.000 0.802 285 E CB 0.045 29.717 29.700 -0.046 0.000 0.759 285 E HN 0.121 nan 8.360 nan 0.000 0.447 286 K N -0.101 120.240 120.400 -0.098 0.000 2.074 286 K HA -0.137 4.199 4.320 0.028 0.000 0.209 286 K C 2.200 178.738 176.600 -0.103 0.000 1.048 286 K CA 1.623 57.860 56.287 -0.084 0.000 0.926 286 K CB -0.347 32.106 32.500 -0.079 0.000 0.713 286 K HN 0.058 nan 8.250 nan 0.000 0.444 287 V N 2.232 122.042 119.914 -0.174 0.000 2.287 287 V HA -0.274 3.863 4.120 0.028 0.000 0.248 287 V C 1.818 177.845 176.094 -0.111 0.000 1.053 287 V CA 1.973 64.159 62.300 -0.190 0.000 1.027 287 V CB -0.440 31.139 31.823 -0.408 0.000 0.646 287 V HN 0.319 nan 8.190 nan 0.000 0.447 288 D N -0.310 120.028 120.400 -0.103 0.000 2.178 288 D HA -0.164 4.492 4.640 0.028 0.000 0.202 288 D C 2.169 178.464 176.300 -0.008 0.000 0.974 288 D CA 1.128 55.121 54.000 -0.011 0.000 0.841 288 D CB -0.104 40.706 40.800 0.018 0.000 0.953 288 D HN 0.416 nan 8.370 nan 0.000 0.478 289 K N 0.508 120.892 120.400 -0.027 0.000 2.283 289 K HA -0.044 4.293 4.320 0.028 0.000 0.202 289 K C 2.068 178.659 176.600 -0.015 0.000 1.048 289 K CA 0.479 56.756 56.287 -0.018 0.000 0.948 289 K CB 0.155 32.641 32.500 -0.024 0.000 0.742 289 K HN 0.113 nan 8.250 nan 0.000 0.458 290 I N 0.297 120.854 120.570 -0.022 0.000 2.494 290 I HA -0.169 4.018 4.170 0.028 0.000 0.250 290 I C 1.696 177.812 176.117 -0.003 0.000 1.112 290 I CA 0.518 61.808 61.300 -0.017 0.000 1.438 290 I CB 0.051 38.035 38.000 -0.026 0.000 1.111 290 I HN 0.084 nan 8.210 nan 0.000 0.431 291 L N 0.947 122.174 121.223 0.006 0.000 2.456 291 L HA -0.089 4.268 4.340 0.028 0.000 0.224 291 L C 2.604 179.489 176.870 0.025 0.000 1.148 291 L CA 0.458 55.313 54.840 0.025 0.000 0.825 291 L CB -0.608 41.479 42.059 0.047 0.000 0.937 291 L HN 0.214 nan 8.230 nan 0.000 0.450 292 A N -0.793 122.036 122.820 0.016 0.000 2.131 292 A HA -0.215 4.121 4.320 0.028 0.000 0.220 292 A C 2.391 179.985 177.584 0.018 0.000 1.158 292 A CA 2.174 54.221 52.037 0.017 0.000 0.665 292 A CB -0.519 18.487 19.000 0.009 0.000 0.795 292 A HN 0.359 nan 8.150 nan 0.000 0.460 293 T N -1.687 112.877 114.554 0.017 0.000 3.037 293 T HA 0.373 4.740 4.350 0.028 0.000 0.251 293 T C 0.934 175.653 174.700 0.033 0.000 1.079 293 T CA 1.356 63.467 62.100 0.019 0.000 1.067 293 T CB -0.450 68.421 68.868 0.005 0.000 0.948 293 T HN 1.668 nan 8.240 nan 0.000 0.496 294 G N 1.501 110.321 108.800 0.033 0.000 2.587 294 G HA2 0.160 4.136 3.960 0.028 0.000 0.274 294 G HA3 0.160 4.136 3.960 0.028 0.000 0.274 294 G C -0.161 174.768 174.900 0.049 0.000 1.046 294 G CA -0.107 45.019 45.100 0.043 0.000 1.308 294 G HN 0.884 nan 8.290 nan 0.000 0.529 295 A N 1.796 124.639 122.820 0.039 0.000 2.337 295 A HA 0.791 5.128 4.320 0.028 0.000 0.329 295 A C 1.111 178.721 177.584 0.043 0.000 1.146 295 A CA -0.310 51.749 52.037 0.037 0.000 0.800 295 A CB 0.786 19.795 19.000 0.014 0.000 1.220 295 A HN 0.451 nan 8.150 nan 0.000 0.472 296 N N 0.354 119.085 118.700 0.052 0.000 2.300 296 N HA -0.028 4.729 4.740 0.028 0.000 0.179 296 N C 0.212 175.748 175.510 0.042 0.000 1.016 296 N CA 1.216 54.296 53.050 0.050 0.000 0.876 296 N CB 0.338 38.860 38.487 0.058 0.000 0.979 296 N HN 0.445 nan 8.380 nan 0.000 0.432 297 V N 0.547 120.483 119.914 0.036 0.000 3.007 297 V HA 0.599 4.736 4.120 0.028 0.000 0.311 297 V C -1.655 174.449 176.094 0.015 0.000 1.120 297 V CA -0.920 61.396 62.300 0.028 0.000 0.980 297 V CB 2.874 34.715 31.823 0.029 0.000 1.033 297 V HN 0.008 nan 8.190 nan 0.000 0.429 298 I N 7.258 127.835 120.570 0.012 0.000 2.571 298 I HA 0.547 4.733 4.170 0.028 0.000 0.286 298 I C -1.607 174.510 176.117 -0.002 0.000 1.134 298 I CA -0.626 60.675 61.300 0.001 0.000 1.052 298 I CB 1.503 39.504 38.000 0.001 0.000 1.237 298 I HN 0.716 nan 8.210 nan 0.000 0.435 299 I N 6.443 127.008 120.570 -0.008 0.000 2.608 299 I HA 0.732 4.918 4.170 0.028 0.000 0.295 299 I C -0.462 175.647 176.117 -0.014 0.000 1.049 299 I CA -0.553 60.740 61.300 -0.010 0.000 1.063 299 I CB 0.812 38.805 38.000 -0.012 0.000 1.248 299 I HN 0.781 nan 8.210 nan 0.000 0.424 300 C N 3.768 123.060 119.300 -0.014 0.000 3.259 300 C HA 0.736 5.213 4.460 0.028 0.000 0.328 300 C C 0.106 175.088 174.990 -0.015 0.000 1.425 300 C CA -0.482 58.527 59.018 -0.015 0.000 1.465 300 C CB 1.614 29.344 27.740 -0.017 0.000 1.890 300 C HN 0.961 nan 8.230 nan 0.000 0.450 301 Q N 0.630 120.422 119.800 -0.014 0.000 2.354 301 Q HA 0.628 4.984 4.340 0.028 0.000 0.372 301 Q C -0.550 175.443 176.000 -0.013 0.000 0.923 301 Q CA -0.220 55.575 55.803 -0.013 0.000 1.123 301 Q CB 0.278 29.009 28.738 -0.012 0.000 1.298 301 Q HN 0.617 nan 8.270 nan 0.000 0.419 302 K N -0.224 120.168 120.400 -0.013 0.000 2.533 302 K HA 0.573 4.910 4.320 0.028 0.000 0.284 302 K C -0.933 175.659 176.600 -0.013 0.000 1.025 302 K CA -0.443 55.836 56.287 -0.013 0.000 0.900 302 K CB 1.514 34.006 32.500 -0.014 0.000 1.519 302 K HN 0.263 nan 8.250 nan 0.000 0.432 303 G N 1.728 110.520 108.800 -0.012 0.000 2.358 303 G HA2 0.393 4.369 3.960 0.028 0.000 0.273 303 G HA3 0.393 4.369 3.960 0.028 0.000 0.273 303 G C -0.353 174.538 174.900 -0.015 0.000 1.215 303 G CA -0.302 44.791 45.100 -0.012 0.000 0.910 303 G HN 0.439 nan 8.290 nan 0.000 0.467 304 I N 2.115 122.677 120.570 -0.013 0.000 2.342 304 I HA 0.077 4.263 4.170 0.028 0.000 0.291 304 I C 0.349 176.455 176.117 -0.018 0.000 1.010 304 I CA -0.690 60.600 61.300 -0.017 0.000 1.308 304 I CB 1.426 39.418 38.000 -0.013 0.000 1.400 304 I HN 0.429 nan 8.210 nan 0.000 0.488 305 D N 5.266 125.650 120.400 -0.026 0.000 2.478 305 D HA -0.111 4.546 4.640 0.028 0.000 0.234 305 D C 1.441 177.725 176.300 -0.026 0.000 1.154 305 D CA 0.214 54.197 54.000 -0.028 0.000 0.874 305 D CB 0.945 41.722 40.800 -0.038 0.000 1.198 305 D HN 0.584 nan 8.370 nan 0.000 0.455 306 E N 2.532 122.718 120.200 -0.023 0.000 2.274 306 E HA -0.100 4.266 4.350 0.028 0.000 0.194 306 E C 1.650 178.222 176.600 -0.046 0.000 0.996 306 E CA 0.647 57.032 56.400 -0.025 0.000 0.840 306 E CB -0.249 29.445 29.700 -0.010 0.000 0.772 306 E HN 0.364 nan 8.360 nan 0.000 0.491 307 V N 1.650 121.541 119.914 -0.037 0.000 2.649 307 V HA -0.013 4.123 4.120 0.028 0.000 0.248 307 V C 2.558 178.646 176.094 -0.010 0.000 1.054 307 V CA 1.392 63.675 62.300 -0.029 0.000 1.073 307 V CB -0.522 31.288 31.823 -0.023 0.000 0.699 307 V HN 0.378 nan 8.190 nan 0.000 0.463 308 A N -0.629 122.177 122.820 -0.024 0.000 2.119 308 A HA -0.166 4.170 4.320 0.028 0.000 0.217 308 A C 2.161 179.743 177.584 -0.003 0.000 1.153 308 A CA 1.183 53.205 52.037 -0.025 0.000 0.692 308 A CB -0.280 18.681 19.000 -0.066 0.000 0.799 308 A HN 0.626 nan 8.150 nan 0.000 0.458 309 Q N -0.765 119.008 119.800 -0.046 0.000 2.062 309 Q HA -0.054 4.302 4.340 0.028 0.000 0.196 309 Q C 2.257 178.144 176.000 -0.189 0.000 0.967 309 Q CA 1.459 57.205 55.803 -0.095 0.000 0.832 309 Q CB -0.166 28.496 28.738 -0.126 0.000 0.899 309 Q HN 0.574 nan 8.270 nan 0.000 0.442 310 S N 0.155 115.719 115.700 -0.227 0.000 2.419 310 S HA -0.162 4.325 4.470 0.028 0.000 0.233 310 S C 1.515 176.077 174.600 -0.063 0.000 1.016 310 S CA 0.941 59.005 58.200 -0.227 0.000 0.974 310 S CB -0.242 62.870 63.200 -0.147 0.000 0.786 310 S HN 0.383 nan 8.310 nan 0.000 0.492 311 Y N 1.838 122.074 120.300 -0.106 0.000 2.206 311 Y HA 0.084 4.651 4.550 0.028 0.000 0.292 311 Y C 1.800 177.673 175.900 -0.045 0.000 1.123 311 Y CA 1.071 59.134 58.100 -0.061 0.000 1.142 311 Y CB -0.400 38.031 38.460 -0.048 0.000 1.006 311 Y HN 0.131 nan 8.280 nan 0.000 0.518 312 L N -0.506 120.875 121.223 0.264 0.000 2.141 312 L HA -0.157 4.199 4.340 0.028 0.000 0.209 312 L C 2.664 179.588 176.870 0.090 0.000 1.094 312 L CA 0.988 55.933 54.840 0.176 0.000 0.763 312 L CB -0.822 41.296 42.059 0.098 0.000 0.908 312 L HN 0.296 nan 8.230 nan 0.000 0.437 313 A N 0.026 122.873 122.820 0.045 0.000 1.898 313 A HA -0.232 4.104 4.320 0.028 0.000 0.216 313 A C 2.378 179.981 177.584 0.031 0.000 1.181 313 A CA 1.710 53.784 52.037 0.062 0.000 0.620 313 A CB -0.345 18.685 19.000 0.050 0.000 0.819 313 A HN 0.282 nan 8.150 nan 0.000 0.442 314 K N -0.775 119.608 120.400 -0.027 0.000 2.288 314 K HA -0.066 4.270 4.320 0.028 0.000 0.201 314 K C 1.540 178.100 176.600 -0.067 0.000 1.048 314 K CA 0.878 57.124 56.287 -0.068 0.000 0.956 314 K CB 0.048 32.458 32.500 -0.150 0.000 0.746 314 K HN 0.127 nan 8.250 nan 0.000 0.461 315 K N -0.606 119.769 120.400 -0.041 0.000 2.305 315 K HA 0.028 4.365 4.320 0.028 0.000 0.199 315 K C 0.814 177.428 176.600 0.024 0.000 1.047 315 K CA 1.005 57.290 56.287 -0.004 0.000 0.976 315 K CB 0.434 32.980 32.500 0.076 0.000 0.765 315 K HN 0.386 nan 8.250 nan 0.000 0.474 316 G N 1.259 110.079 108.800 0.033 0.000 2.203 316 G HA2 -0.190 3.787 3.960 0.028 0.000 0.231 316 G HA3 -0.190 3.787 3.960 0.028 0.000 0.231 316 G C -0.119 174.809 174.900 0.047 0.000 1.058 316 G CA 0.124 45.247 45.100 0.038 0.000 0.781 316 G HN 0.060 nan 8.290 nan 0.000 0.496 317 V N 0.096 120.045 119.914 0.057 0.000 2.713 317 V HA 0.782 4.918 4.120 0.028 0.000 0.307 317 V C 0.348 176.474 176.094 0.054 0.000 1.052 317 V CA -1.019 61.314 62.300 0.055 0.000 0.967 317 V CB 1.925 33.785 31.823 0.061 0.000 1.019 317 V HN 0.483 nan 8.190 nan 0.000 0.459 318 L N 3.564 124.813 121.223 0.045 0.000 2.294 318 L HA 0.842 5.199 4.340 0.028 0.000 0.283 318 L C 0.017 176.906 176.870 0.032 0.000 1.015 318 L CA -0.060 54.805 54.840 0.041 0.000 0.831 318 L CB 0.491 42.572 42.059 0.036 0.000 1.217 318 L HN 0.807 nan 8.230 nan 0.000 0.420 319 A N 4.622 127.463 122.820 0.034 0.000 2.380 319 A HA 0.894 5.230 4.320 0.028 0.000 0.315 319 A C -1.327 176.266 177.584 0.016 0.000 1.101 319 A CA -0.588 51.462 52.037 0.022 0.000 0.771 319 A CB 1.787 20.801 19.000 0.023 0.000 1.287 319 A HN 0.463 nan 8.150 nan 0.000 0.436 320 V N 2.773 122.690 119.914 0.004 0.000 2.604 320 V HA 0.416 4.552 4.120 0.028 0.000 0.305 320 V C 0.734 176.825 176.094 -0.006 0.000 1.043 320 V CA -0.899 61.398 62.300 -0.004 0.000 0.888 320 V CB 1.504 33.317 31.823 -0.016 0.000 0.995 320 V HN 1.039 nan 8.190 nan 0.000 0.429 321 R N 1.940 122.437 120.500 -0.006 0.000 2.951 321 R HA 0.225 4.582 4.340 0.028 0.000 0.141 321 R C 0.341 176.634 176.300 -0.012 0.000 0.691 321 R CA -0.254 55.842 56.100 -0.007 0.000 1.548 321 R CB 0.147 30.444 30.300 -0.005 0.000 0.559 321 R HN 0.599 nan 8.270 nan 0.000 0.572 322 R N -0.129 120.363 120.500 -0.012 0.000 2.623 322 R HA 0.243 4.599 4.340 0.028 0.000 0.271 322 R C -0.395 175.895 176.300 -0.016 0.000 1.043 322 R CA 0.329 56.421 56.100 -0.013 0.000 1.083 322 R CB 0.333 30.625 30.300 -0.012 0.000 0.974 322 R HN 0.540 nan 8.270 nan 0.000 0.436 323 A N 2.587 125.397 122.820 -0.017 0.000 2.480 323 A HA 0.220 4.556 4.320 0.028 0.000 0.289 323 A C -0.844 176.730 177.584 -0.016 0.000 1.044 323 A CA -0.938 51.088 52.037 -0.019 0.000 0.761 323 A CB 1.176 20.163 19.000 -0.022 0.000 1.289 323 A HN 0.486 nan 8.150 nan 0.000 0.401 324 K N 1.870 122.261 120.400 -0.016 0.000 2.477 324 K HA -0.085 4.252 4.320 0.028 0.000 0.275 324 K C 1.191 177.785 176.600 -0.011 0.000 1.054 324 K CA 0.373 56.653 56.287 -0.012 0.000 1.135 324 K CB 0.561 33.054 32.500 -0.012 0.000 0.854 324 K HN 0.841 nan 8.250 nan 0.000 0.484 325 K N 2.174 122.569 120.400 -0.009 0.000 2.218 325 K HA -0.188 4.149 4.320 0.028 0.000 0.205 325 K C 1.440 178.036 176.600 -0.006 0.000 1.046 325 K CA 1.643 57.925 56.287 -0.007 0.000 0.933 325 K CB 0.125 32.621 32.500 -0.006 0.000 0.728 325 K HN 0.465 nan 8.250 nan 0.000 0.454 326 S N 1.395 117.091 115.700 -0.005 0.000 2.407 326 S HA -0.192 4.294 4.470 0.028 0.000 0.235 326 S C 1.200 175.797 174.600 -0.004 0.000 1.036 326 S CA 1.917 60.115 58.200 -0.004 0.000 1.013 326 S CB -0.362 62.835 63.200 -0.005 0.000 0.820 326 S HN 0.658 nan 8.310 nan 0.000 0.476 327 D N 0.414 120.810 120.400 -0.006 0.000 2.388 327 D HA 0.104 4.760 4.640 0.028 0.000 0.208 327 D C 1.667 177.964 176.300 -0.005 0.000 1.035 327 D CA 0.059 54.055 54.000 -0.006 0.000 0.875 327 D CB -0.711 40.082 40.800 -0.011 0.000 0.984 327 D HN 0.323 nan 8.370 nan 0.000 0.508 328 L N 0.524 121.742 121.223 -0.007 0.000 2.046 328 L HA -0.142 4.215 4.340 0.028 0.000 0.208 328 L C 2.379 179.247 176.870 -0.004 0.000 1.077 328 L CA 1.601 56.437 54.840 -0.007 0.000 0.747 328 L CB -0.371 41.682 42.059 -0.009 0.000 0.896 328 L HN 0.041 nan 8.230 nan 0.000 0.432 329 E N 0.184 120.383 120.200 -0.002 0.000 2.031 329 E HA -0.247 4.120 4.350 0.028 0.000 0.193 329 E C 2.144 178.747 176.600 0.005 0.000 0.994 329 E CA 1.159 57.560 56.400 0.002 0.000 0.800 329 E CB -0.121 29.581 29.700 0.004 0.000 0.752 329 E HN 0.383 nan 8.360 nan 0.000 0.447 330 K N 0.576 120.979 120.400 0.006 0.000 2.211 330 K HA -0.133 4.204 4.320 0.028 0.000 0.204 330 K C 2.135 178.743 176.600 0.013 0.000 1.047 330 K CA 0.745 57.038 56.287 0.010 0.000 0.935 330 K CB -0.071 32.434 32.500 0.009 0.000 0.728 330 K HN 0.149 nan 8.250 nan 0.000 0.452 331 L N -0.355 120.874 121.223 0.009 0.000 2.416 331 L HA 0.044 4.401 4.340 0.028 0.000 0.216 331 L C 2.062 178.936 176.870 0.006 0.000 1.098 331 L CA 0.348 55.194 54.840 0.011 0.000 0.840 331 L CB -0.077 41.985 42.059 0.005 0.000 0.981 331 L HN 0.077 nan 8.230 nan 0.000 0.462 332 A N 1.644 124.465 122.820 0.001 0.000 1.824 332 A HA -0.237 4.099 4.320 0.028 0.000 0.215 332 A C 2.129 179.713 177.584 -0.000 0.000 1.209 332 A CA 1.830 53.864 52.037 -0.005 0.000 0.614 332 A CB -0.654 18.343 19.000 -0.005 0.000 0.852 332 A HN 0.588 nan 8.150 nan 0.000 0.447 333 R N -0.200 120.305 120.500 0.008 0.000 2.346 333 R HA 0.344 4.701 4.340 0.028 0.000 0.199 333 R C 1.410 177.724 176.300 0.023 0.000 1.015 333 R CA 0.957 57.066 56.100 0.015 0.000 1.058 333 R CB -0.300 30.012 30.300 0.020 0.000 0.921 333 R HN 0.337 nan 8.270 nan 0.000 0.475 334 A N 1.063 123.897 122.820 0.023 0.000 2.044 334 A HA -0.008 4.329 4.320 0.028 0.000 0.213 334 A C 1.782 179.390 177.584 0.040 0.000 1.169 334 A CA 0.871 52.928 52.037 0.034 0.000 0.724 334 A CB 0.151 19.172 19.000 0.036 0.000 0.840 334 A HN 0.467 nan 8.150 nan 0.000 0.463 335 T N -4.613 109.958 114.554 0.028 0.000 3.132 335 T HA 0.436 4.802 4.350 0.028 0.000 0.274 335 T C 0.951 175.658 174.700 0.013 0.000 1.011 335 T CA 0.735 62.854 62.100 0.032 0.000 0.899 335 T CB -0.106 68.774 68.868 0.020 0.000 1.089 335 T HN 1.616 nan 8.240 nan 0.000 0.543 336 G N 0.296 109.102 108.800 0.010 0.000 2.359 336 G HA2 0.209 4.186 3.960 0.028 0.000 0.298 336 G HA3 0.209 4.186 3.960 0.028 0.000 0.298 336 G C 0.253 175.119 174.900 -0.057 0.000 1.030 336 G CA -0.143 44.956 45.100 -0.001 0.000 1.149 336 G HN 1.158 nan 8.290 nan 0.000 0.512 337 G N -0.925 107.841 108.800 -0.058 0.000 2.766 337 G HA2 0.813 4.789 3.960 0.028 0.000 0.288 337 G HA3 0.813 4.789 3.960 0.028 0.000 0.288 337 G C -0.589 174.280 174.900 -0.052 0.000 1.408 337 G CA -0.468 44.580 45.100 -0.087 0.000 0.852 337 G HN 0.623 nan 8.290 nan 0.000 0.487 338 R N -0.737 119.731 120.500 -0.053 0.000 2.787 338 R HA 0.603 4.959 4.340 0.028 0.000 0.271 338 R C -1.138 175.143 176.300 -0.031 0.000 0.993 338 R CA -0.597 55.483 56.100 -0.034 0.000 0.993 338 R CB 2.069 32.351 30.300 -0.030 0.000 1.155 338 R HN 0.257 nan 8.270 nan 0.000 0.486 339 V N 4.374 124.276 119.914 -0.022 0.000 2.299 339 V HA 0.100 4.236 4.120 0.028 0.000 0.255 339 V C 0.059 176.142 176.094 -0.018 0.000 1.100 339 V CA -0.566 61.722 62.300 -0.019 0.000 0.938 339 V CB 0.873 32.688 31.823 -0.013 0.000 1.139 339 V HN 0.535 nan 8.190 nan 0.000 0.490 340 V N 4.523 124.424 119.914 -0.022 0.000 2.539 340 V HA -0.103 4.034 4.120 0.028 0.000 0.294 340 V C 1.629 177.713 176.094 -0.016 0.000 0.994 340 V CA 1.288 63.576 62.300 -0.020 0.000 1.169 340 V CB 0.328 32.137 31.823 -0.023 0.000 0.898 340 V HN 0.987 nan 8.190 nan 0.000 0.471 341 S N 3.854 119.546 115.700 -0.014 0.000 2.329 341 S HA -0.057 4.429 4.470 0.028 0.000 0.215 341 S C 1.060 175.653 174.600 -0.012 0.000 1.031 341 S CA 0.852 59.045 58.200 -0.012 0.000 0.985 341 S CB -0.028 63.167 63.200 -0.009 0.000 0.917 341 S HN 0.856 nan 8.310 nan 0.000 0.441 342 N N 1.046 119.739 118.700 -0.012 0.000 2.443 342 N HA 0.205 4.962 4.740 0.028 0.000 0.269 342 N C 1.103 176.605 175.510 -0.014 0.000 0.985 342 N CA -0.216 52.827 53.050 -0.012 0.000 0.921 342 N CB 1.194 39.675 38.487 -0.010 0.000 1.195 342 N HN 0.501 nan 8.380 nan 0.000 0.492 343 I N 0.240 120.800 120.570 -0.017 0.000 2.399 343 I HA -0.196 3.991 4.170 0.028 0.000 0.254 343 I C 0.235 176.342 176.117 -0.017 0.000 1.146 343 I CA 1.371 62.659 61.300 -0.020 0.000 1.412 343 I CB -0.160 37.825 38.000 -0.025 0.000 1.076 343 I HN 0.240 nan 8.210 nan 0.000 0.432 344 D N 1.076 121.468 120.400 -0.014 0.000 2.338 344 D HA -0.024 4.633 4.640 0.028 0.000 0.239 344 D C 1.393 177.688 176.300 -0.009 0.000 1.095 344 D CA 0.477 54.471 54.000 -0.011 0.000 0.888 344 D CB 0.054 40.849 40.800 -0.009 0.000 0.899 344 D HN 0.464 nan 8.370 nan 0.000 0.525 345 E N -0.348 119.847 120.200 -0.010 0.000 2.641 345 E HA 0.158 4.525 4.350 0.028 0.000 0.224 345 E C 0.620 177.214 176.600 -0.009 0.000 0.951 345 E CA -0.296 56.099 56.400 -0.008 0.000 1.102 345 E CB 0.957 30.653 29.700 -0.008 0.000 1.091 345 E HN 0.317 nan 8.360 nan 0.000 0.507 346 I N 1.961 122.524 120.570 -0.012 0.000 2.880 346 I HA -0.113 4.073 4.170 0.028 0.000 0.296 346 I C 0.581 176.692 176.117 -0.010 0.000 1.220 346 I CA 0.879 62.171 61.300 -0.014 0.000 1.435 346 I CB 0.297 38.288 38.000 -0.016 0.000 1.339 346 I HN -0.163 nan 8.210 nan 0.000 0.583 347 S N 3.799 119.491 115.700 -0.013 0.000 2.638 347 S HA 0.262 4.748 4.470 0.028 0.000 0.302 347 S C 0.275 174.871 174.600 -0.007 0.000 1.096 347 S CA -0.747 57.449 58.200 -0.007 0.000 0.953 347 S CB 1.713 64.909 63.200 -0.006 0.000 1.107 347 S HN 0.510 nan 8.310 nan 0.000 0.503 348 E N 1.164 121.368 120.200 0.006 0.000 2.482 348 E HA -0.075 4.291 4.350 0.028 0.000 0.200 348 E C 1.218 177.829 176.600 0.018 0.000 1.147 348 E CA 0.398 56.810 56.400 0.020 0.000 0.912 348 E CB -0.310 29.411 29.700 0.034 0.000 0.938 348 E HN 0.627 nan 8.360 nan 0.000 0.519 349 Q N -2.165 117.627 119.800 -0.013 0.000 2.237 349 Q HA 0.081 4.438 4.340 0.028 0.000 0.254 349 Q C 0.454 176.404 176.000 -0.084 0.000 0.771 349 Q CA -0.137 55.644 55.803 -0.035 0.000 0.958 349 Q CB -0.048 28.689 28.738 -0.002 0.000 1.202 349 Q HN -0.051 nan 8.270 nan 0.000 0.492 350 D N 2.672 123.034 120.400 -0.062 0.000 2.393 350 D HA -0.037 4.620 4.640 0.028 0.000 0.220 350 D C 0.653 176.892 176.300 -0.103 0.000 0.974 350 D CA 0.806 54.766 54.000 -0.067 0.000 0.931 350 D CB -0.106 40.668 40.800 -0.043 0.000 0.889 350 D HN 0.494 nan 8.370 nan 0.000 0.512 351 L N -1.683 119.446 121.223 -0.155 0.000 2.289 351 L HA 0.689 5.046 4.340 0.028 0.000 0.285 351 L C 0.591 177.229 176.870 -0.386 0.000 1.049 351 L CA -1.015 53.700 54.840 -0.208 0.000 0.804 351 L CB 1.561 43.514 42.059 -0.177 0.000 1.195 351 L HN -0.228 nan 8.230 nan 0.000 0.428 352 G N 2.058 110.686 108.800 -0.286 0.000 2.476 352 G HA2 0.432 4.408 3.960 0.028 0.000 0.269 352 G HA3 0.432 4.408 3.960 0.028 0.000 0.269 352 G C -1.162 173.535 174.900 -0.338 0.000 1.195 352 G CA -0.374 44.542 45.100 -0.307 0.000 0.843 352 G HN 0.575 nan 8.290 nan 0.000 0.545 353 Y N -0.338 119.974 120.300 0.018 0.000 2.453 353 Y HA 0.682 5.248 4.550 0.027 0.000 0.326 353 Y C 0.737 176.651 175.900 0.024 0.000 1.186 353 Y CA -0.146 57.966 58.100 0.019 0.000 1.200 353 Y CB 1.997 40.467 38.460 0.017 0.000 1.247 353 Y HN 0.796 nan 8.280 nan 0.000 0.482 354 A N -0.032 122.918 122.820 0.216 0.000 2.583 354 A HA 0.734 5.071 4.320 0.028 0.000 0.299 354 A C -0.063 177.581 177.584 0.101 0.000 1.258 354 A CA -0.130 51.984 52.037 0.129 0.000 0.682 354 A CB 0.858 19.918 19.000 0.100 0.000 1.332 354 A HN 0.559 nan 8.150 nan 0.000 0.485 355 S N -1.547 114.199 115.700 0.077 0.000 2.741 355 S HA 0.444 4.931 4.470 0.028 0.000 0.245 355 S C -0.311 174.320 174.600 0.052 0.000 1.083 355 S CA 0.407 58.640 58.200 0.055 0.000 0.873 355 S CB 0.386 63.612 63.200 0.043 0.000 0.814 355 S HN 0.741 nan 8.310 nan 0.000 0.476 356 L N 1.609 122.869 121.223 0.062 0.000 2.588 356 L HA 0.553 4.910 4.340 0.028 0.000 0.263 356 L C -2.164 174.755 176.870 0.081 0.000 0.935 356 L CA -0.494 54.384 54.840 0.062 0.000 0.891 356 L CB 1.495 43.585 42.059 0.051 0.000 1.318 356 L HN 0.111 nan 8.230 nan 0.000 0.409 357 I N 3.744 124.363 120.570 0.081 0.000 2.562 357 I HA 0.581 4.767 4.170 0.028 0.000 0.301 357 I C -0.362 175.820 176.117 0.107 0.000 1.003 357 I CA -0.618 60.740 61.300 0.097 0.000 1.127 357 I CB 1.945 39.988 38.000 0.073 0.000 1.304 357 I HN 0.581 nan 8.210 nan 0.000 0.446 358 E N 3.045 123.338 120.200 0.155 0.000 2.458 358 E HA 0.332 4.698 4.350 0.028 0.000 0.278 358 E C -1.316 175.389 176.600 0.174 0.000 1.004 358 E CA -0.518 55.985 56.400 0.172 0.000 0.823 358 E CB 2.608 32.437 29.700 0.215 0.000 1.396 358 E HN 0.596 nan 8.360 nan 0.000 0.463 359 E N 1.441 121.735 120.200 0.156 0.000 4.090 359 E HA 0.184 4.550 4.350 0.028 0.000 0.235 359 E C -0.910 175.762 176.600 0.121 0.000 1.187 359 E CA -0.080 56.368 56.400 0.079 0.000 1.308 359 E CB 0.446 30.159 29.700 0.020 0.000 1.222 359 E HN 0.225 nan 8.360 nan 0.000 0.414 360 R N 1.228 121.889 120.500 0.269 0.000 2.537 360 R HA 0.071 4.428 4.340 0.028 0.000 0.280 360 R C 0.185 176.581 176.300 0.159 0.000 1.058 360 R CA -0.017 56.214 56.100 0.218 0.000 1.057 360 R CB 0.520 30.972 30.300 0.254 0.000 0.973 360 R HN 0.074 nan 8.270 nan 0.000 0.438 361 K N 1.522 121.976 120.400 0.090 0.000 3.277 361 K HA 0.099 4.435 4.320 0.028 0.000 0.280 361 K C -0.297 176.342 176.600 0.065 0.000 1.182 361 K CA -0.147 56.173 56.287 0.055 0.000 1.219 361 K CB -0.251 32.267 32.500 0.031 0.000 1.373 361 K HN 0.152 nan 8.250 nan 0.000 0.392 362 V N 1.257 121.236 119.914 0.109 0.000 2.557 362 V HA 0.166 4.303 4.120 0.028 0.000 0.301 362 V C 1.659 177.791 176.094 0.062 0.000 1.026 362 V CA 1.220 63.581 62.300 0.101 0.000 1.137 362 V CB -0.263 31.663 31.823 0.172 0.000 0.917 362 V HN 0.870 nan 8.190 nan 0.000 0.484 363 G N 4.280 113.105 108.800 0.042 0.000 4.163 363 G HA2 -0.317 3.659 3.960 0.028 0.000 0.300 363 G HA3 -0.317 3.659 3.960 0.028 0.000 0.300 363 G C 0.782 175.692 174.900 0.016 0.000 1.488 363 G CA 0.829 45.944 45.100 0.024 0.000 1.052 363 G HN 0.746 nan 8.290 nan 0.000 0.687 364 E N -0.427 119.780 120.200 0.012 0.000 3.203 364 E HA 0.149 4.516 4.350 0.028 0.000 0.200 364 E C -0.041 176.560 176.600 0.003 0.000 1.089 364 E CA 0.274 56.677 56.400 0.005 0.000 1.430 364 E CB 0.343 30.043 29.700 0.000 0.000 1.328 364 E HN 0.485 nan 8.360 nan 0.000 0.580 365 D N 1.290 121.689 120.400 -0.002 0.000 2.414 365 D HA 0.186 4.842 4.640 0.028 0.000 0.251 365 D C -0.354 175.940 176.300 -0.011 0.000 1.252 365 D CA 0.172 54.166 54.000 -0.010 0.000 0.999 365 D CB 0.828 41.617 40.800 -0.019 0.000 1.093 365 D HN 0.020 nan 8.370 nan 0.000 0.515 366 K N 0.298 120.683 120.400 -0.025 0.000 2.221 366 K HA 0.516 4.853 4.320 0.028 0.000 0.258 366 K C -0.328 176.220 176.600 -0.086 0.000 0.944 366 K CA -0.428 55.839 56.287 -0.034 0.000 0.823 366 K CB 1.878 34.365 32.500 -0.022 0.000 1.113 366 K HN 0.254 nan 8.250 nan 0.000 0.431 367 M N 1.751 121.256 119.600 -0.157 0.000 2.602 367 M HA 0.373 4.870 4.480 0.028 0.000 0.312 367 M C -0.628 175.381 176.300 -0.484 0.000 1.181 367 M CA -1.277 53.832 55.300 -0.319 0.000 0.910 367 M CB 2.323 34.667 32.600 -0.426 0.000 1.723 367 M HN 0.171 nan 8.290 nan 0.000 0.459 368 V N 1.934 121.580 119.914 -0.447 0.000 2.509 368 V HA 0.448 4.585 4.120 0.028 0.000 0.284 368 V C -0.846 174.934 176.094 -0.523 0.000 1.047 368 V CA -0.247 61.843 62.300 -0.350 0.000 0.952 368 V CB 0.830 32.557 31.823 -0.160 0.000 0.988 368 V HN 0.528 nan 8.190 nan 0.000 0.469 369 F N 2.642 122.599 119.950 0.013 0.000 2.538 369 F HA 0.666 5.210 4.527 0.027 0.000 0.325 369 F C 0.205 176.018 175.800 0.022 0.000 1.066 369 F CA -0.894 57.115 58.000 0.015 0.000 0.946 369 F CB 2.139 41.149 39.000 0.016 0.000 1.199 369 F HN 0.115 nan 8.300 nan 0.000 0.473 370 V N 1.675 121.727 119.914 0.230 0.000 2.468 370 V HA 0.193 4.330 4.120 0.028 0.000 0.256 370 V C -0.349 175.828 176.094 0.138 0.000 0.998 370 V CA -0.755 61.630 62.300 0.142 0.000 1.114 370 V CB -0.063 31.815 31.823 0.092 0.000 1.378 370 V HN 0.712 nan 8.190 nan 0.000 0.573 371 E N 1.331 121.616 120.200 0.142 0.000 2.390 371 E HA 0.451 4.818 4.350 0.028 0.000 0.261 371 E C 1.199 177.856 176.600 0.094 0.000 1.076 371 E CA 0.281 56.748 56.400 0.113 0.000 0.905 371 E CB 0.746 30.494 29.700 0.080 0.000 0.984 371 E HN 0.699 nan 8.360 nan 0.000 0.427 372 G N 1.124 109.981 108.800 0.095 0.000 2.295 372 G HA2 -0.232 3.745 3.960 0.028 0.000 0.287 372 G HA3 -0.232 3.745 3.960 0.028 0.000 0.287 372 G C 0.396 175.338 174.900 0.071 0.000 1.055 372 G CA 0.113 45.255 45.100 0.070 0.000 0.922 372 G HN 0.725 nan 8.290 nan 0.000 0.503 373 A N -0.471 122.398 122.820 0.082 0.000 2.339 373 A HA 0.594 4.931 4.320 0.028 0.000 0.272 373 A C 1.689 179.320 177.584 0.079 0.000 1.182 373 A CA 1.519 53.605 52.037 0.082 0.000 0.819 373 A CB 0.204 19.251 19.000 0.078 0.000 1.115 373 A HN 0.835 nan 8.150 nan 0.000 0.512 374 K N -0.163 120.293 120.400 0.093 0.000 2.103 374 K HA -0.055 4.282 4.320 0.028 0.000 0.204 374 K C 0.598 177.240 176.600 0.071 0.000 1.052 374 K CA 1.132 57.478 56.287 0.098 0.000 0.945 374 K CB 0.003 32.593 32.500 0.150 0.000 0.722 374 K HN 0.676 nan 8.250 nan 0.000 0.443 375 N N 0.804 119.543 118.700 0.064 0.000 2.414 375 N HA 0.079 4.835 4.740 0.028 0.000 0.256 375 N C -1.968 173.573 175.510 0.053 0.000 1.029 375 N CA -1.707 51.375 53.050 0.053 0.000 0.948 375 N CB 1.370 39.886 38.487 0.049 0.000 1.102 375 N HN -0.010 nan 8.380 nan 0.000 0.496 376 P HA -0.149 nan 4.420 nan 0.000 0.210 376 P C -0.208 177.127 177.300 0.059 0.000 1.191 376 P CA 1.312 64.437 63.100 0.042 0.000 0.917 376 P CB -0.133 31.581 31.700 0.022 0.000 0.778 377 K N 0.911 121.343 120.400 0.053 0.000 1.985 377 K HA 0.253 4.590 4.320 0.028 0.000 0.234 377 K C -0.170 176.466 176.600 0.060 0.000 1.140 377 K CA 0.139 56.463 56.287 0.061 0.000 1.141 377 K CB -0.695 31.836 32.500 0.051 0.000 1.165 377 K HN -0.092 nan 8.250 nan 0.000 0.301 378 S N 3.721 119.467 115.700 0.076 0.000 2.277 378 S HA 0.301 4.787 4.470 0.028 0.000 0.230 378 S C -0.794 173.854 174.600 0.080 0.000 0.893 378 S CA -0.951 57.287 58.200 0.065 0.000 1.044 378 S CB -0.046 63.188 63.200 0.057 0.000 1.252 378 S HN 0.651 nan 8.310 nan 0.000 0.393 379 I N 0.420 121.028 120.570 0.064 0.000 3.145 379 I HA 0.949 5.136 4.170 0.028 0.000 0.313 379 I C -0.450 175.672 176.117 0.008 0.000 1.122 379 I CA -0.793 60.531 61.300 0.041 0.000 0.987 379 I CB 2.285 40.296 38.000 0.018 0.000 1.236 379 I HN 0.347 nan 8.210 nan 0.000 0.453 380 S N 1.944 117.635 115.700 -0.016 0.000 2.632 380 S HA 0.723 5.210 4.470 0.028 0.000 0.289 380 S C -0.680 173.901 174.600 -0.031 0.000 1.115 380 S CA -0.641 57.554 58.200 -0.007 0.000 0.889 380 S CB 1.997 65.211 63.200 0.024 0.000 1.116 380 S HN 0.513 nan 8.310 nan 0.000 0.486 381 I N 1.748 122.310 120.570 -0.013 0.000 2.530 381 I HA 0.471 4.657 4.170 0.028 0.000 0.297 381 I C -1.365 174.758 176.117 0.010 0.000 1.011 381 I CA -0.860 60.431 61.300 -0.014 0.000 1.107 381 I CB 1.758 39.749 38.000 -0.013 0.000 1.285 381 I HN 0.325 nan 8.210 nan 0.000 0.436 382 L N 7.231 128.466 121.223 0.020 0.000 2.316 382 L HA 0.557 4.914 4.340 0.028 0.000 0.280 382 L C -0.881 176.000 176.870 0.019 0.000 1.006 382 L CA -0.181 54.681 54.840 0.036 0.000 0.836 382 L CB 0.921 43.025 42.059 0.075 0.000 1.221 382 L HN 0.324 nan 8.230 nan 0.000 0.418 383 I N 5.158 125.732 120.570 0.006 0.000 2.440 383 I HA 0.465 4.651 4.170 0.028 0.000 0.294 383 I C 0.344 176.453 176.117 -0.013 0.000 0.995 383 I CA 0.102 61.395 61.300 -0.010 0.000 1.306 383 I CB 1.106 39.097 38.000 -0.015 0.000 1.407 383 I HN 0.498 nan 8.210 nan 0.000 0.501 384 R N 3.958 124.440 120.500 -0.029 0.000 2.684 384 R HA 0.224 4.581 4.340 0.028 0.000 0.252 384 R C 0.986 177.259 176.300 -0.045 0.000 1.628 384 R CA -0.224 55.858 56.100 -0.029 0.000 1.622 384 R CB 0.947 31.234 30.300 -0.021 0.000 1.418 384 R HN 0.923 nan 8.270 nan 0.000 0.697 385 G N 0.151 108.925 108.800 -0.042 0.000 2.462 385 G HA2 -0.038 3.939 3.960 0.028 0.000 0.220 385 G HA3 -0.038 3.939 3.960 0.028 0.000 0.220 385 G C 1.038 175.913 174.900 -0.041 0.000 1.121 385 G CA 1.323 46.395 45.100 -0.047 0.000 0.758 385 G HN 0.700 nan 8.290 nan 0.000 0.559 386 G N -0.783 107.998 108.800 -0.032 0.000 3.597 386 G HA2 -0.161 3.816 3.960 0.028 0.000 0.202 386 G HA3 -0.161 3.816 3.960 0.028 0.000 0.202 386 G C 0.173 175.061 174.900 -0.021 0.000 1.702 386 G CA 0.085 45.169 45.100 -0.026 0.000 1.354 386 G HN 0.799 nan 8.290 nan 0.000 0.609 387 L N 2.983 124.194 121.223 -0.021 0.000 2.418 387 L HA 0.580 4.936 4.340 0.028 0.000 0.265 387 L C 2.040 178.901 176.870 -0.016 0.000 1.143 387 L CA 0.855 55.684 54.840 -0.017 0.000 0.809 387 L CB 1.039 43.088 42.059 -0.016 0.000 1.124 387 L HN 0.734 nan 8.230 nan 0.000 0.456 388 E N 2.745 122.937 120.200 -0.013 0.000 2.273 388 E HA -0.262 4.104 4.350 0.028 0.000 0.198 388 E C 1.456 178.048 176.600 -0.012 0.000 1.002 388 E CA 1.554 57.947 56.400 -0.012 0.000 0.828 388 E CB -0.148 29.546 29.700 -0.011 0.000 0.747 388 E HN 0.703 nan 8.360 nan 0.000 0.491 389 R N 0.548 121.040 120.500 -0.013 0.000 2.191 389 R HA 0.152 4.509 4.340 0.028 0.000 0.196 389 R C 2.421 178.712 176.300 -0.015 0.000 0.991 389 R CA 0.137 56.229 56.100 -0.013 0.000 1.075 389 R CB -0.051 30.242 30.300 -0.011 0.000 1.040 389 R HN 0.306 nan 8.270 nan 0.000 0.526 390 L N 1.302 122.515 121.223 -0.017 0.000 2.079 390 L HA -0.132 4.224 4.340 0.028 0.000 0.210 390 L C 2.220 179.076 176.870 -0.023 0.000 1.081 390 L CA 1.357 56.184 54.840 -0.021 0.000 0.752 390 L CB -0.263 41.782 42.059 -0.024 0.000 0.896 390 L HN 0.155 nan 8.230 nan 0.000 0.433 391 V N 0.067 119.967 119.914 -0.022 0.000 2.343 391 V HA -0.289 3.848 4.120 0.028 0.000 0.247 391 V C 2.093 178.176 176.094 -0.019 0.000 1.051 391 V CA 2.383 64.669 62.300 -0.023 0.000 1.036 391 V CB -0.443 31.368 31.823 -0.020 0.000 0.654 391 V HN 0.549 nan 8.190 nan 0.000 0.451 392 D N -0.122 120.268 120.400 -0.016 0.000 2.104 392 D HA -0.218 4.438 4.640 0.028 0.000 0.194 392 D C 2.063 178.355 176.300 -0.014 0.000 0.994 392 D CA 2.001 55.992 54.000 -0.014 0.000 0.830 392 D CB -0.116 40.677 40.800 -0.011 0.000 0.959 392 D HN 0.603 nan 8.370 nan 0.000 0.452 393 E N -0.375 119.816 120.200 -0.015 0.000 2.418 393 E HA -0.039 4.327 4.350 0.028 0.000 0.197 393 E C 1.839 178.428 176.600 -0.018 0.000 1.026 393 E CA 0.508 56.899 56.400 -0.015 0.000 0.862 393 E CB 0.145 29.837 29.700 -0.015 0.000 0.799 393 E HN 0.119 nan 8.360 nan 0.000 0.518 394 T N 0.275 114.816 114.554 -0.021 0.000 2.904 394 T HA -0.144 4.223 4.350 0.028 0.000 0.267 394 T C 1.721 176.408 174.700 -0.021 0.000 1.059 394 T CA 1.143 63.228 62.100 -0.025 0.000 1.137 394 T CB -0.036 68.813 68.868 -0.032 0.000 0.879 394 T HN 0.287 nan 8.240 nan 0.000 0.467 395 E N 0.775 120.965 120.200 -0.017 0.000 2.107 395 E HA -0.121 4.246 4.350 0.028 0.000 0.191 395 E C 2.319 178.911 176.600 -0.013 0.000 0.982 395 E CA 0.735 57.126 56.400 -0.014 0.000 0.809 395 E CB 0.068 29.761 29.700 -0.012 0.000 0.756 395 E HN 0.220 nan 8.360 nan 0.000 0.459 396 R N 0.381 120.874 120.500 -0.013 0.000 2.061 396 R HA -0.045 4.311 4.340 0.028 0.000 0.230 396 R C 2.328 178.619 176.300 -0.015 0.000 1.140 396 R CA 1.697 57.789 56.100 -0.012 0.000 0.940 396 R CB -0.601 29.693 30.300 -0.011 0.000 0.839 396 R HN 0.251 nan 8.270 nan 0.000 0.429 397 A N 0.472 123.282 122.820 -0.017 0.000 1.917 397 A HA -0.208 4.129 4.320 0.028 0.000 0.219 397 A C 2.029 179.600 177.584 -0.020 0.000 1.182 397 A CA 1.608 53.633 52.037 -0.020 0.000 0.633 397 A CB -0.748 18.238 19.000 -0.022 0.000 0.819 397 A HN 0.324 nan 8.150 nan 0.000 0.448 398 L N -0.581 120.631 121.223 -0.018 0.000 2.093 398 L HA -0.092 4.265 4.340 0.028 0.000 0.208 398 L C 2.530 179.389 176.870 -0.017 0.000 1.085 398 L CA 1.561 56.391 54.840 -0.017 0.000 0.755 398 L CB -0.565 41.486 42.059 -0.014 0.000 0.904 398 L HN 0.272 nan 8.230 nan 0.000 0.435 399 R N -0.134 120.357 120.500 -0.015 0.000 2.070 399 R HA -0.143 4.213 4.340 0.028 0.000 0.233 399 R C 1.913 178.203 176.300 -0.017 0.000 1.137 399 R CA 1.713 57.804 56.100 -0.015 0.000 0.945 399 R CB -0.986 29.308 30.300 -0.011 0.000 0.845 399 R HN 0.423 nan 8.270 nan 0.000 0.430 400 D N 0.555 120.945 120.400 -0.018 0.000 2.117 400 D HA -0.092 4.565 4.640 0.028 0.000 0.197 400 D C 1.831 178.115 176.300 -0.027 0.000 0.987 400 D CA 1.470 55.458 54.000 -0.020 0.000 0.829 400 D CB -0.316 40.472 40.800 -0.020 0.000 0.961 400 D HN 0.188 nan 8.370 nan 0.000 0.460 401 A N 0.865 123.668 122.820 -0.028 0.000 1.908 401 A HA -0.171 4.165 4.320 0.028 0.000 0.218 401 A C 2.412 179.975 177.584 -0.035 0.000 1.181 401 A CA 1.165 53.181 52.037 -0.034 0.000 0.627 401 A CB -0.819 18.163 19.000 -0.031 0.000 0.818 401 A HN 0.209 nan 8.150 nan 0.000 0.445 402 L N -0.964 120.242 121.223 -0.029 0.000 1.988 402 L HA -0.082 4.275 4.340 0.028 0.000 0.207 402 L C 2.944 179.794 176.870 -0.033 0.000 1.071 402 L CA 1.157 55.979 54.840 -0.030 0.000 0.744 402 L CB -1.332 40.712 42.059 -0.024 0.000 0.893 402 L HN 0.473 nan 8.230 nan 0.000 0.433 403 G N -0.453 108.331 108.800 -0.028 0.000 2.599 403 G HA2 -0.421 3.555 3.960 0.028 0.000 0.219 403 G HA3 -0.421 3.555 3.960 0.028 0.000 0.219 403 G C 1.663 176.544 174.900 -0.031 0.000 1.193 403 G CA 1.891 46.975 45.100 -0.027 0.000 0.778 403 G HN 0.383 nan 8.290 nan 0.000 0.589 404 T N 0.092 114.626 114.554 -0.034 0.000 2.665 404 T HA -0.179 4.188 4.350 0.028 0.000 0.268 404 T C 2.457 177.126 174.700 -0.052 0.000 1.035 404 T CA 2.362 64.437 62.100 -0.041 0.000 1.151 404 T CB -0.416 68.424 68.868 -0.046 0.000 0.862 404 T HN 0.052 nan 8.240 nan 0.000 0.438 405 V N 2.023 121.902 119.914 -0.057 0.000 2.332 405 V HA -0.120 4.017 4.120 0.028 0.000 0.248 405 V C 3.131 179.181 176.094 -0.072 0.000 1.055 405 V CA 1.913 64.171 62.300 -0.069 0.000 1.038 405 V CB -1.502 30.282 31.823 -0.064 0.000 0.651 405 V HN 0.680 nan 8.190 nan 0.000 0.450 406 A N -0.176 122.610 122.820 -0.057 0.000 1.969 406 A HA -0.224 4.112 4.320 0.028 0.000 0.218 406 A C 1.951 179.504 177.584 -0.051 0.000 1.169 406 A CA 1.895 53.899 52.037 -0.055 0.000 0.635 406 A CB -0.543 18.431 19.000 -0.045 0.000 0.810 406 A HN 0.532 nan 8.150 nan 0.000 0.445 407 D N -0.269 120.105 120.400 -0.042 0.000 2.178 407 D HA -0.073 4.584 4.640 0.028 0.000 0.202 407 D C 2.025 178.298 176.300 -0.045 0.000 0.974 407 D CA 1.212 55.194 54.000 -0.029 0.000 0.841 407 D CB -0.315 40.473 40.800 -0.020 0.000 0.953 407 D HN 0.237 nan 8.370 nan 0.000 0.478 408 V N 1.186 121.059 119.914 -0.068 0.000 2.343 408 V HA -0.220 3.916 4.120 0.028 0.000 0.247 408 V C 2.442 178.464 176.094 -0.120 0.000 1.051 408 V CA 1.169 63.419 62.300 -0.084 0.000 1.036 408 V CB -0.393 31.369 31.823 -0.101 0.000 0.654 408 V HN 0.218 nan 8.190 nan 0.000 0.451 409 I N -0.344 120.130 120.570 -0.161 0.000 2.233 409 I HA -0.192 3.994 4.170 0.028 0.000 0.243 409 I C 2.505 178.489 176.117 -0.222 0.000 1.093 409 I CA 1.437 62.565 61.300 -0.286 0.000 1.380 409 I CB -0.525 37.273 38.000 -0.337 0.000 1.067 409 I HN 0.238 nan 8.210 nan 0.000 0.413 410 K N 0.390 120.749 120.400 -0.069 0.000 2.211 410 K HA -0.230 4.106 4.320 0.028 0.000 0.204 410 K C 1.434 178.059 176.600 0.042 0.000 1.047 410 K CA 1.863 58.178 56.287 0.047 0.000 0.935 410 K CB -0.128 32.415 32.500 0.072 0.000 0.728 410 K HN 0.358 nan 8.250 nan 0.000 0.452 411 D N -1.910 118.487 120.400 -0.005 0.000 2.628 411 D HA 0.040 4.697 4.640 0.028 0.000 0.258 411 D C 1.013 177.308 176.300 -0.009 0.000 1.165 411 D CA 1.512 55.519 54.000 0.010 0.000 0.991 411 D CB 0.516 41.322 40.800 0.009 0.000 1.104 411 D HN 0.148 nan 8.370 nan 0.000 0.438 412 G N -0.289 108.488 108.800 -0.037 0.000 2.205 412 G HA2 -0.146 3.830 3.960 0.028 0.000 0.180 412 G HA3 -0.146 3.830 3.960 0.028 0.000 0.180 412 G C -0.053 174.847 174.900 -0.001 0.000 1.004 412 G CA -0.198 44.878 45.100 -0.040 0.000 0.670 412 G HN 0.341 nan 8.290 nan 0.000 0.496 413 R N 0.151 120.658 120.500 0.013 0.000 2.562 413 R HA 0.803 5.160 4.340 0.028 0.000 0.298 413 R C -0.409 175.916 176.300 0.042 0.000 0.961 413 R CA 0.076 56.203 56.100 0.045 0.000 0.881 413 R CB 2.182 32.514 30.300 0.054 0.000 1.159 413 R HN 0.730 nan 8.270 nan 0.000 0.450 414 A N 3.697 126.565 122.820 0.079 0.000 2.488 414 A HA 0.522 4.859 4.320 0.028 0.000 0.295 414 A C -0.869 176.785 177.584 0.116 0.000 1.045 414 A CA -0.770 51.299 52.037 0.053 0.000 0.703 414 A CB 1.282 20.274 19.000 -0.012 0.000 1.271 414 A HN 0.653 nan 8.150 nan 0.000 0.400 415 I N -0.335 120.257 120.570 0.037 0.000 3.023 415 I HA 0.903 5.089 4.170 0.028 0.000 0.312 415 I C 0.229 176.199 176.117 -0.246 0.000 1.056 415 I CA -1.058 60.208 61.300 -0.057 0.000 1.033 415 I CB 1.397 39.498 38.000 0.167 0.000 1.233 415 I HN 0.861 nan 8.210 nan 0.000 0.462 416 A N 2.369 124.862 122.820 -0.545 0.000 2.409 416 A HA 0.657 4.994 4.320 0.028 0.000 0.267 416 A C 0.456 178.020 177.584 -0.033 0.000 1.127 416 A CA 0.112 51.970 52.037 -0.297 0.000 0.795 416 A CB -0.467 18.390 19.000 -0.239 0.000 1.061 416 A HN 1.166 nan 8.150 nan 0.000 0.502 417 G N -0.038 108.725 108.800 -0.061 0.000 2.477 417 G HA2 0.569 4.546 3.960 0.028 0.000 0.304 417 G HA3 0.569 4.546 3.960 0.028 0.000 0.304 417 G C 0.686 175.610 174.900 0.040 0.000 1.175 417 G CA -0.084 45.018 45.100 0.003 0.000 0.907 417 G HN 1.981 nan 8.290 nan 0.000 0.509 418 G N -1.990 106.852 108.800 0.071 0.000 2.507 418 G HA2 0.392 4.368 3.960 0.028 0.000 0.205 418 G HA3 0.392 4.368 3.960 0.028 0.000 0.205 418 G C 1.010 175.989 174.900 0.131 0.000 0.996 418 G CA 0.870 46.025 45.100 0.091 0.000 0.776 418 G HN 2.408 nan 8.290 nan 0.000 0.532 419 G N -0.464 108.418 108.800 0.136 0.000 2.194 419 G HA2 0.107 4.084 3.960 0.028 0.000 0.236 419 G HA3 0.107 4.084 3.960 0.028 0.000 0.236 419 G C 1.703 176.689 174.900 0.143 0.000 0.987 419 G CA 1.339 46.523 45.100 0.140 0.000 0.635 419 G HN 1.898 nan 8.290 nan 0.000 0.520 420 A N 0.252 123.197 122.820 0.208 0.000 1.859 420 A HA 0.095 4.432 4.320 0.028 0.000 0.217 420 A C 2.594 180.300 177.584 0.204 0.000 1.198 420 A CA 3.252 55.465 52.037 0.293 0.000 0.629 420 A CB -0.840 18.431 19.000 0.451 0.000 0.830 420 A HN 1.169 nan 8.150 nan 0.000 0.446 421 V N -0.132 119.915 119.914 0.222 0.000 2.594 421 V HA -0.217 3.920 4.120 0.028 0.000 0.253 421 V C 2.331 178.475 176.094 0.085 0.000 1.069 421 V CA 2.224 64.625 62.300 0.169 0.000 1.082 421 V CB -1.060 30.869 31.823 0.175 0.000 0.680 421 V HN 0.544 nan 8.190 nan 0.000 0.469 422 E N 1.112 121.357 120.200 0.076 0.000 2.001 422 E HA -0.185 4.182 4.350 0.028 0.000 0.195 422 E C 2.032 178.648 176.600 0.027 0.000 1.002 422 E CA 1.712 58.149 56.400 0.061 0.000 0.819 422 E CB -0.647 29.103 29.700 0.084 0.000 0.769 422 E HN 0.704 nan 8.360 nan 0.000 0.454 423 I N 0.408 120.961 120.570 -0.029 0.000 2.300 423 I HA -0.272 3.915 4.170 0.028 0.000 0.252 423 I C 1.648 177.692 176.117 -0.123 0.000 1.119 423 I CA 1.633 62.867 61.300 -0.111 0.000 1.384 423 I CB -0.660 37.178 38.000 -0.270 0.000 1.062 423 I HN -0.030 nan 8.210 nan 0.000 0.426 424 E N 1.407 121.541 120.200 -0.110 0.000 2.015 424 E HA -0.101 4.265 4.350 0.028 0.000 0.191 424 E C 2.425 179.022 176.600 -0.005 0.000 0.991 424 E CA 1.331 57.699 56.400 -0.055 0.000 0.802 424 E CB -0.395 29.299 29.700 -0.011 0.000 0.759 424 E HN 0.504 nan 8.360 nan 0.000 0.447 425 I N 1.413 121.995 120.570 0.021 0.000 2.399 425 I HA -0.246 3.940 4.170 0.028 0.000 0.254 425 I C 2.232 178.385 176.117 0.061 0.000 1.146 425 I CA 0.953 62.278 61.300 0.042 0.000 1.412 425 I CB -1.477 36.558 38.000 0.059 0.000 1.076 425 I HN -0.055 nan 8.210 nan 0.000 0.432 426 A N 1.186 124.038 122.820 0.054 0.000 1.838 426 A HA -0.189 4.148 4.320 0.028 0.000 0.215 426 A C 2.443 180.057 177.584 0.050 0.000 1.273 426 A CA 1.447 53.525 52.037 0.068 0.000 0.602 426 A CB -0.748 18.282 19.000 0.051 0.000 0.934 426 A HN 0.276 nan 8.150 nan 0.000 0.461 427 K N -0.468 119.945 120.400 0.022 0.000 2.049 427 K HA -0.303 4.034 4.320 0.028 0.000 0.219 427 K C 2.180 178.801 176.600 0.035 0.000 1.056 427 K CA 2.257 58.558 56.287 0.022 0.000 0.946 427 K CB -0.212 32.291 32.500 0.005 0.000 0.723 427 K HN 0.264 nan 8.250 nan 0.000 0.453 428 K N 0.734 121.151 120.400 0.029 0.000 2.160 428 K HA -0.176 4.161 4.320 0.028 0.000 0.206 428 K C 2.127 178.772 176.600 0.075 0.000 1.047 428 K CA 1.180 57.487 56.287 0.033 0.000 0.930 428 K CB -0.268 32.239 32.500 0.010 0.000 0.720 428 K HN 0.214 nan 8.250 nan 0.000 0.450 429 L N 1.226 122.502 121.223 0.089 0.000 2.072 429 L HA -0.060 4.296 4.340 0.028 0.000 0.205 429 L C 2.330 179.275 176.870 0.125 0.000 1.079 429 L CA 1.425 56.347 54.840 0.138 0.000 0.752 429 L CB -0.354 41.768 42.059 0.105 0.000 0.906 429 L HN 0.065 nan 8.230 nan 0.000 0.436 430 R N -0.542 120.007 120.500 0.082 0.000 2.081 430 R HA -0.202 4.155 4.340 0.028 0.000 0.235 430 R C 2.273 178.612 176.300 0.065 0.000 1.131 430 R CA 1.632 57.767 56.100 0.059 0.000 0.960 430 R CB -0.368 29.959 30.300 0.046 0.000 0.856 430 R HN 0.276 nan 8.270 nan 0.000 0.436 431 K N 0.121 120.568 120.400 0.078 0.000 2.209 431 K HA -0.186 4.150 4.320 0.028 0.000 0.204 431 K C 1.827 178.509 176.600 0.138 0.000 1.048 431 K CA 1.173 57.508 56.287 0.080 0.000 0.940 431 K CB -0.030 32.506 32.500 0.059 0.000 0.729 431 K HN 0.309 nan 8.250 nan 0.000 0.451 432 Y N 0.257 120.558 120.300 0.001 0.000 2.130 432 Y HA -0.203 4.363 4.550 0.027 0.000 0.287 432 Y C 2.141 178.045 175.900 0.006 0.000 1.124 432 Y CA 1.013 59.112 58.100 -0.001 0.000 1.118 432 Y CB -0.211 38.243 38.460 -0.010 0.000 0.994 432 Y HN 0.138 nan 8.280 nan 0.000 0.497 433 A N 1.445 124.175 122.820 -0.150 0.000 1.893 433 A HA -0.330 4.007 4.320 0.028 0.000 0.222 433 A C -0.129 177.370 177.584 -0.141 0.000 1.309 433 A CA 2.860 54.746 52.037 -0.251 0.000 0.681 433 A CB -2.314 16.621 19.000 -0.108 0.000 0.842 433 A HN 0.480 nan 8.150 nan 0.000 0.468 434 P HA -0.292 nan 4.420 nan 0.000 0.222 434 P C 1.558 178.855 177.300 -0.006 0.000 1.155 434 P CA 2.289 65.383 63.100 -0.010 0.000 0.890 434 P CB -0.262 31.449 31.700 0.018 0.000 0.790 435 Q N -0.774 119.040 119.800 0.023 0.000 2.354 435 Q HA -0.027 4.329 4.340 0.028 0.000 0.203 435 Q C 1.918 177.932 176.000 0.024 0.000 0.933 435 Q CA 1.041 56.874 55.803 0.050 0.000 0.901 435 Q CB -1.070 27.739 28.738 0.118 0.000 1.007 435 Q HN 0.235 nan 8.270 nan 0.000 0.495 436 V N -0.904 118.960 119.914 -0.084 0.000 2.282 436 V HA 0.073 4.209 4.120 0.028 0.000 0.249 436 V C 1.037 177.099 176.094 -0.054 0.000 1.057 436 V CA 1.625 63.846 62.300 -0.131 0.000 1.032 436 V CB -1.066 30.520 31.823 -0.395 0.000 0.645 436 V HN 0.571 nan 8.190 nan 0.000 0.447 437 G N -2.502 106.266 108.800 -0.053 0.000 2.343 437 G HA2 0.451 4.428 3.960 0.028 0.000 0.289 437 G HA3 0.451 4.428 3.960 0.028 0.000 0.289 437 G C 0.118 175.003 174.900 -0.025 0.000 1.295 437 G CA -0.260 44.825 45.100 -0.026 0.000 0.869 437 G HN 0.783 nan 8.290 nan 0.000 0.522 438 G N -0.094 108.698 108.800 -0.014 0.000 2.813 438 G HA2 0.007 3.984 3.960 0.028 0.000 0.208 438 G HA3 0.007 3.984 3.960 0.028 0.000 0.208 438 G C 1.464 176.356 174.900 -0.013 0.000 1.395 438 G CA 1.634 46.727 45.100 -0.011 0.000 0.849 438 G HN 0.709 nan 8.290 nan 0.000 0.617 439 K N 0.435 120.828 120.400 -0.010 0.000 2.031 439 K HA -0.028 4.308 4.320 0.028 0.000 0.205 439 K C 2.487 179.077 176.600 -0.017 0.000 1.049 439 K CA 1.139 57.420 56.287 -0.010 0.000 0.939 439 K CB -0.195 32.302 32.500 -0.005 0.000 0.717 439 K HN 0.409 nan 8.250 nan 0.000 0.438 440 E N 1.069 121.256 120.200 -0.021 0.000 2.233 440 E HA -0.306 4.060 4.350 0.028 0.000 0.199 440 E C 2.120 178.697 176.600 -0.040 0.000 1.004 440 E CA 1.185 57.568 56.400 -0.028 0.000 0.819 440 E CB -0.088 29.595 29.700 -0.030 0.000 0.738 440 E HN 0.354 nan 8.360 nan 0.000 0.478 441 Q N 0.966 120.737 119.800 -0.050 0.000 2.030 441 Q HA -0.212 4.145 4.340 0.028 0.000 0.204 441 Q C 2.322 178.307 176.000 -0.025 0.000 0.986 441 Q CA 1.397 57.161 55.803 -0.064 0.000 0.843 441 Q CB -0.133 28.574 28.738 -0.051 0.000 0.904 441 Q HN 0.316 nan 8.270 nan 0.000 0.420 442 L N 0.296 121.516 121.223 -0.006 0.000 2.081 442 L HA -0.243 4.113 4.340 0.028 0.000 0.212 442 L C 2.617 179.516 176.870 0.047 0.000 1.080 442 L CA 1.080 55.930 54.840 0.017 0.000 0.754 442 L CB -0.762 41.304 42.059 0.012 0.000 0.893 442 L HN 0.350 nan 8.230 nan 0.000 0.433 443 A N -0.078 122.765 122.820 0.039 0.000 1.865 443 A HA -0.159 4.178 4.320 0.028 0.000 0.217 443 A C 2.329 180.065 177.584 0.254 0.000 1.191 443 A CA 2.048 54.142 52.037 0.095 0.000 0.623 443 A CB -0.878 18.125 19.000 0.004 0.000 0.826 443 A HN 0.195 nan 8.150 nan 0.000 0.444 444 V N 0.239 120.236 119.914 0.139 0.000 2.295 444 V HA -0.281 3.856 4.120 0.028 0.000 0.246 444 V C 2.358 178.527 176.094 0.126 0.000 1.049 444 V CA 2.240 64.608 62.300 0.113 0.000 1.024 444 V CB -1.120 30.646 31.823 -0.094 0.000 0.648 444 V HN 0.630 nan 8.190 nan 0.000 0.447 445 E N 0.502 120.743 120.200 0.070 0.000 2.130 445 E HA -0.250 4.117 4.350 0.028 0.000 0.196 445 E C 2.307 178.969 176.600 0.103 0.000 0.998 445 E CA 1.403 57.844 56.400 0.068 0.000 0.806 445 E CB -0.340 29.383 29.700 0.038 0.000 0.738 445 E HN 0.631 nan 8.360 nan 0.000 0.459 446 A N 1.094 123.996 122.820 0.135 0.000 1.845 446 A HA -0.226 4.111 4.320 0.028 0.000 0.215 446 A C 2.043 179.712 177.584 0.142 0.000 1.195 446 A CA 1.445 53.565 52.037 0.139 0.000 0.616 446 A CB -1.030 18.085 19.000 0.191 0.000 0.832 446 A HN 0.356 nan 8.150 nan 0.000 0.443 447 Y N 0.840 121.186 120.300 0.077 0.000 2.173 447 Y HA -0.304 4.262 4.550 0.027 0.000 0.282 447 Y C 2.655 178.544 175.900 -0.018 0.000 1.192 447 Y CA 1.429 59.470 58.100 -0.098 0.000 1.176 447 Y CB -0.593 37.831 38.460 -0.060 0.000 0.969 447 Y HN 0.331 nan 8.280 nan 0.000 0.519 448 A N 0.103 123.095 122.820 0.287 0.000 1.855 448 A HA -0.192 4.144 4.320 0.028 0.000 0.215 448 A C 2.215 179.870 177.584 0.120 0.000 1.191 448 A CA 1.634 53.798 52.037 0.212 0.000 0.613 448 A CB -0.806 18.280 19.000 0.143 0.000 0.829 448 A HN 0.586 nan 8.150 nan 0.000 0.442 449 N N 0.614 119.356 118.700 0.070 0.000 2.069 449 N HA -0.187 4.569 4.740 0.028 0.000 0.191 449 N C 1.960 177.463 175.510 -0.012 0.000 1.031 449 N CA 1.629 54.696 53.050 0.028 0.000 0.852 449 N CB -0.522 37.975 38.487 0.016 0.000 1.018 449 N HN 0.474 nan 8.380 nan 0.000 0.423 450 A N 1.598 124.372 122.820 -0.077 0.000 1.940 450 A HA -0.110 4.226 4.320 0.028 0.000 0.219 450 A C 2.356 179.848 177.584 -0.153 0.000 1.176 450 A CA 0.963 52.877 52.037 -0.205 0.000 0.631 450 A CB -0.772 17.971 19.000 -0.428 0.000 0.814 450 A HN 0.281 nan 8.150 nan 0.000 0.446 451 L N -0.703 120.531 121.223 0.019 0.000 2.093 451 L HA -0.168 4.188 4.340 0.028 0.000 0.208 451 L C 2.493 179.465 176.870 0.169 0.000 1.085 451 L CA 1.612 56.633 54.840 0.301 0.000 0.755 451 L CB -0.289 42.020 42.059 0.416 0.000 0.904 451 L HN 0.506 nan 8.230 nan 0.000 0.435 452 E N -0.988 119.268 120.200 0.094 0.000 2.152 452 E HA -0.159 4.208 4.350 0.028 0.000 0.192 452 E C 2.182 178.809 176.600 0.046 0.000 0.983 452 E CA 1.079 57.519 56.400 0.067 0.000 0.818 452 E CB 0.019 29.748 29.700 0.048 0.000 0.758 452 E HN 0.396 nan 8.360 nan 0.000 0.467 453 S N 1.312 117.019 115.700 0.013 0.000 2.392 453 S HA -0.193 4.294 4.470 0.028 0.000 0.232 453 S C 1.884 176.472 174.600 -0.021 0.000 1.041 453 S CA 0.803 58.991 58.200 -0.020 0.000 1.026 453 S CB -0.239 62.919 63.200 -0.069 0.000 0.845 453 S HN 0.142 nan 8.310 nan 0.000 0.465 454 L N 2.001 123.228 121.223 0.006 0.000 1.990 454 L HA -0.126 4.230 4.340 0.028 0.000 0.213 454 L C 2.446 179.337 176.870 0.036 0.000 1.072 454 L CA 1.935 56.767 54.840 -0.013 0.000 0.755 454 L CB -0.802 41.326 42.059 0.115 0.000 0.889 454 L HN 0.365 nan 8.230 nan 0.000 0.432 455 V N -4.444 115.527 119.914 0.096 0.000 2.667 455 V HA -0.123 4.013 4.120 0.028 0.000 0.252 455 V C 2.255 178.415 176.094 0.110 0.000 1.065 455 V CA 1.711 64.090 62.300 0.131 0.000 1.083 455 V CB -0.765 31.127 31.823 0.115 0.000 0.692 455 V HN 0.422 nan 8.190 nan 0.000 0.468 456 S N 1.103 116.844 115.700 0.069 0.000 2.355 456 S HA 0.012 4.498 4.470 0.028 0.000 0.222 456 S C 1.878 176.516 174.600 0.062 0.000 1.031 456 S CA 1.929 60.166 58.200 0.061 0.000 0.993 456 S CB -0.481 62.738 63.200 0.032 0.000 0.859 456 S HN 0.633 nan 8.310 nan 0.000 0.453 457 I N 1.440 122.028 120.570 0.029 0.000 2.194 457 I HA -0.239 3.947 4.170 0.028 0.000 0.246 457 I C 2.364 178.549 176.117 0.115 0.000 1.093 457 I CA 1.184 62.498 61.300 0.023 0.000 1.355 457 I CB -0.397 37.552 38.000 -0.085 0.000 1.046 457 I HN 0.241 nan 8.210 nan 0.000 0.413 458 L N 0.523 121.864 121.223 0.197 0.000 2.017 458 L HA -0.246 4.110 4.340 0.028 0.000 0.208 458 L C 2.550 179.518 176.870 0.164 0.000 1.073 458 L CA 1.405 56.402 54.840 0.262 0.000 0.745 458 L CB -0.143 42.095 42.059 0.298 0.000 0.894 458 L HN 0.145 nan 8.230 nan 0.000 0.432 459 I N -0.044 120.617 120.570 0.152 0.000 2.142 459 I HA -0.289 3.898 4.170 0.028 0.000 0.240 459 I C 2.399 178.593 176.117 0.127 0.000 1.078 459 I CA 1.442 62.846 61.300 0.173 0.000 1.343 459 I CB -1.504 36.596 38.000 0.166 0.000 1.046 459 I HN 0.364 nan 8.210 nan 0.000 0.405 460 E N 1.245 121.495 120.200 0.083 0.000 2.082 460 E HA -0.298 4.069 4.350 0.028 0.000 0.215 460 E C 1.817 178.412 176.600 -0.009 0.000 1.048 460 E CA 2.119 58.539 56.400 0.033 0.000 0.869 460 E CB -0.490 29.224 29.700 0.024 0.000 0.773 460 E HN 0.619 nan 8.360 nan 0.000 0.466 461 N N 0.147 118.854 118.700 0.012 0.000 2.430 461 N HA -0.131 4.625 4.740 0.028 0.000 0.186 461 N C 1.559 177.020 175.510 -0.082 0.000 1.032 461 N CA 0.378 53.416 53.050 -0.020 0.000 0.893 461 N CB -0.047 38.456 38.487 0.026 0.000 0.957 461 N HN 0.140 nan 8.380 nan 0.000 0.442 462 A N 0.482 123.253 122.820 -0.081 0.000 2.072 462 A HA 0.289 4.626 4.320 0.028 0.000 0.216 462 A C 1.693 178.950 177.584 -0.544 0.000 1.156 462 A CA 0.971 52.896 52.037 -0.186 0.000 0.701 462 A CB -0.060 18.994 19.000 0.090 0.000 0.816 462 A HN 0.311 nan 8.150 nan 0.000 0.458 463 G N -2.426 106.103 108.800 -0.451 0.000 2.131 463 G HA2 -0.150 3.827 3.960 0.028 0.000 0.201 463 G HA3 -0.150 3.827 3.960 0.028 0.000 0.201 463 G C -0.194 174.323 174.900 -0.638 0.000 1.000 463 G CA 0.043 44.819 45.100 -0.540 0.000 0.680 463 G HN 0.326 nan 8.290 nan 0.000 0.514 464 F N 0.266 120.212 119.950 -0.007 0.000 2.575 464 F HA 0.580 5.120 4.527 0.021 0.000 0.330 464 F C 0.352 176.157 175.800 0.009 0.000 1.056 464 F CA -1.895 56.107 58.000 0.003 0.000 0.964 464 F CB 1.015 40.021 39.000 0.010 0.000 1.258 464 F HN -0.049 nan 8.300 nan 0.000 0.484 465 D N 4.153 124.686 120.400 0.223 0.000 2.363 465 D HA 0.045 4.701 4.640 0.028 0.000 0.263 465 D C -1.442 174.928 176.300 0.116 0.000 1.258 465 D CA -1.483 52.591 54.000 0.122 0.000 0.907 465 D CB 1.190 42.045 40.800 0.091 0.000 1.107 465 D HN 0.169 nan 8.370 nan 0.000 0.495 466 P HA -0.206 nan 4.420 nan 0.000 0.215 466 P C 1.801 179.139 177.300 0.064 0.000 1.157 466 P CA 0.777 63.925 63.100 0.080 0.000 0.874 466 P CB 0.415 32.148 31.700 0.055 0.000 0.790 467 I N 0.576 121.176 120.570 0.050 0.000 2.179 467 I HA -0.181 4.005 4.170 0.028 0.000 0.242 467 I C 2.065 178.208 176.117 0.044 0.000 1.088 467 I CA 1.658 62.982 61.300 0.040 0.000 1.357 467 I CB -1.797 36.221 38.000 0.029 0.000 1.051 467 I HN -0.035 nan 8.210 nan 0.000 0.409 468 D N 1.285 121.714 120.400 0.047 0.000 2.137 468 D HA -0.196 4.460 4.640 0.028 0.000 0.189 468 D C 2.422 178.746 176.300 0.041 0.000 0.998 468 D CA 1.344 55.369 54.000 0.043 0.000 0.839 468 D CB -0.530 40.298 40.800 0.047 0.000 0.962 468 D HN 0.256 nan 8.370 nan 0.000 0.446 469 L N 0.248 121.499 121.223 0.046 0.000 2.093 469 L HA -0.100 4.257 4.340 0.028 0.000 0.208 469 L C 2.657 179.561 176.870 0.057 0.000 1.085 469 L CA 0.467 55.329 54.840 0.038 0.000 0.755 469 L CB -0.381 41.695 42.059 0.029 0.000 0.904 469 L HN 0.098 nan 8.230 nan 0.000 0.435 470 L N -0.653 120.608 121.223 0.063 0.000 2.012 470 L HA -0.264 4.092 4.340 0.028 0.000 0.210 470 L C 2.766 179.672 176.870 0.060 0.000 1.073 470 L CA 1.369 56.247 54.840 0.065 0.000 0.748 470 L CB -0.044 42.049 42.059 0.056 0.000 0.891 470 L HN 0.287 nan 8.230 nan 0.000 0.431 471 M N -0.403 119.227 119.600 0.049 0.000 2.099 471 M HA -0.243 4.254 4.480 0.028 0.000 0.262 471 M C 2.198 178.528 176.300 0.051 0.000 1.067 471 M CA 1.578 56.905 55.300 0.045 0.000 1.124 471 M CB -1.223 31.398 32.600 0.034 0.000 1.353 471 M HN 0.182 nan 8.290 nan 0.000 0.410 472 K N 0.122 120.550 120.400 0.048 0.000 2.211 472 K HA -0.167 4.169 4.320 0.028 0.000 0.204 472 K C 1.950 178.594 176.600 0.074 0.000 1.047 472 K CA 0.891 57.206 56.287 0.048 0.000 0.935 472 K CB 0.033 32.553 32.500 0.034 0.000 0.728 472 K HN 0.205 nan 8.250 nan 0.000 0.452 473 L N 1.663 122.946 121.223 0.100 0.000 2.130 473 L HA -0.056 4.300 4.340 0.028 0.000 0.200 473 L C 2.044 179.048 176.870 0.223 0.000 1.075 473 L CA 1.514 56.456 54.840 0.170 0.000 0.768 473 L CB -0.877 41.287 42.059 0.175 0.000 0.933 473 L HN 0.225 nan 8.230 nan 0.000 0.451 474 R N -0.616 119.968 120.500 0.140 0.000 2.341 474 R HA -0.099 4.258 4.340 0.028 0.000 0.213 474 R C 2.011 178.379 176.300 0.114 0.000 1.082 474 R CA 1.291 57.454 56.100 0.106 0.000 1.017 474 R CB -0.554 29.771 30.300 0.043 0.000 0.860 474 R HN 0.326 nan 8.270 nan 0.000 0.473 475 S N 0.184 115.944 115.700 0.099 0.000 2.404 475 S HA -0.076 4.411 4.470 0.028 0.000 0.223 475 S C 1.749 176.375 174.600 0.043 0.000 1.040 475 S CA 0.988 59.223 58.200 0.059 0.000 0.957 475 S CB -0.037 63.187 63.200 0.040 0.000 0.826 475 S HN 0.398 nan 8.310 nan 0.000 0.491 476 T N 0.137 114.720 114.554 0.049 0.000 3.227 476 T HA 0.047 4.414 4.350 0.028 0.000 0.257 476 T C 0.342 174.941 174.700 -0.168 0.000 1.162 476 T CA 0.563 62.631 62.100 -0.052 0.000 1.051 476 T CB -0.465 68.391 68.868 -0.019 0.000 0.953 476 T HN 0.487 nan 8.240 nan 0.000 0.535 477 H N 0.091 119.126 119.070 -0.059 0.000 2.487 477 H HA 0.309 4.880 4.556 0.024 0.000 0.290 477 H C 1.645 176.929 175.328 -0.073 0.000 1.081 477 H CA -0.200 55.807 56.048 -0.068 0.000 1.116 477 H CB 0.530 30.284 29.762 -0.013 0.000 1.560 477 H HN 0.231 nan 8.280 nan 0.000 0.548 478 E N 0.301 120.491 120.200 -0.017 0.000 2.051 478 E HA -0.028 4.339 4.350 0.028 0.000 0.189 478 E C 0.239 176.797 176.600 -0.070 0.000 0.979 478 E CA 0.365 56.749 56.400 -0.026 0.000 0.803 478 E CB -0.095 29.588 29.700 -0.029 0.000 0.761 478 E HN 0.376 nan 8.360 nan 0.000 0.451 479 N N 3.144 121.766 118.700 -0.131 0.000 2.411 479 N HA -0.085 4.671 4.740 0.028 0.000 0.282 479 N C 0.922 176.332 175.510 -0.166 0.000 1.322 479 N CA 0.236 53.190 53.050 -0.160 0.000 0.943 479 N CB 0.858 39.206 38.487 -0.232 0.000 1.266 479 N HN 0.109 nan 8.380 nan 0.000 0.486 480 E N 2.577 122.706 120.200 -0.118 0.000 2.284 480 E HA -0.212 4.154 4.350 0.028 0.000 0.200 480 E C 0.035 176.544 176.600 -0.150 0.000 1.008 480 E CA 1.392 57.723 56.400 -0.114 0.000 0.829 480 E CB -0.150 29.496 29.700 -0.091 0.000 0.744 480 E HN 0.589 nan 8.360 nan 0.000 0.491 481 N N -0.452 118.151 118.700 -0.161 0.000 2.322 481 N HA 0.076 4.833 4.740 0.028 0.000 0.216 481 N C -0.123 175.277 175.510 -0.183 0.000 1.144 481 N CA -0.016 52.941 53.050 -0.156 0.000 0.830 481 N CB 0.283 38.703 38.487 -0.111 0.000 1.034 481 N HN 0.097 nan 8.380 nan 0.000 0.484 482 N N 0.305 118.845 118.700 -0.267 0.000 2.159 482 N HA -0.019 4.737 4.740 0.028 0.000 0.217 482 N C 1.184 176.612 175.510 -0.137 0.000 1.223 482 N CA -0.145 52.701 53.050 -0.339 0.000 0.896 482 N CB 0.441 38.361 38.487 -0.945 0.000 1.064 482 N HN 0.236 nan 8.380 nan 0.000 0.518 483 K N 0.684 120.981 120.400 -0.173 0.000 2.108 483 K HA -0.265 4.071 4.320 0.028 0.000 0.219 483 K C 0.653 177.338 176.600 0.142 0.000 1.054 483 K CA 1.791 58.002 56.287 -0.127 0.000 0.945 483 K CB -0.777 31.408 32.500 -0.525 0.000 0.728 483 K HN 0.368 nan 8.250 nan 0.000 0.462 484 W N 0.100 121.529 121.300 0.215 0.000 3.216 484 W HA 0.100 4.774 4.660 0.024 0.000 0.247 484 W C -0.093 176.592 176.519 0.276 0.000 1.326 484 W CA -1.328 56.167 57.345 0.250 0.000 1.564 484 W CB -0.105 29.486 29.460 0.218 0.000 1.113 484 W HN 0.022 nan 8.180 nan 0.000 0.722 485 Y N 1.197 121.657 120.300 0.268 0.000 2.359 485 Y HA 0.407 4.970 4.550 0.021 0.000 0.330 485 Y C 0.900 176.976 175.900 0.294 0.000 1.143 485 Y CA 0.261 58.450 58.100 0.149 0.000 1.318 485 Y CB 0.704 39.074 38.460 -0.149 0.000 1.234 485 Y HN -0.104 nan 8.280 nan 0.000 0.522 486 G N 2.458 111.419 108.800 0.268 0.000 3.058 486 G HA2 0.610 4.587 3.960 0.028 0.000 0.282 486 G HA3 0.610 4.587 3.960 0.028 0.000 0.282 486 G C -1.575 173.418 174.900 0.154 0.000 1.248 486 G CA -0.905 44.340 45.100 0.242 0.000 0.822 486 G HN 0.442 nan 8.290 nan 0.000 0.579 487 I N 1.315 121.958 120.570 0.122 0.000 2.390 487 I HA 0.191 4.378 4.170 0.028 0.000 0.283 487 I C -1.011 175.148 176.117 0.069 0.000 1.016 487 I CA -0.524 60.823 61.300 0.079 0.000 1.151 487 I CB 1.678 39.723 38.000 0.075 0.000 1.293 487 I HN 0.417 nan 8.210 nan 0.000 0.458 488 D N 6.979 127.405 120.400 0.044 0.000 2.426 488 D HA -0.007 4.649 4.640 0.028 0.000 0.261 488 D C 0.682 177.066 176.300 0.140 0.000 1.245 488 D CA -0.058 53.992 54.000 0.083 0.000 0.917 488 D CB 0.840 41.669 40.800 0.048 0.000 1.123 488 D HN 0.280 nan 8.370 nan 0.000 0.508 489 L N 4.644 126.008 121.223 0.236 0.000 2.855 489 L HA -0.022 4.334 4.340 0.028 0.000 0.257 489 L C -0.037 176.973 176.870 0.234 0.000 1.206 489 L CA 0.694 55.691 54.840 0.260 0.000 1.042 489 L CB -1.759 40.391 42.059 0.152 0.000 1.321 489 L HN 0.642 nan 8.230 nan 0.000 0.417 490 Y N -1.497 118.905 120.300 0.169 0.000 2.460 490 Y HA 0.264 4.830 4.550 0.026 0.000 0.276 490 Y C 1.946 177.937 175.900 0.152 0.000 1.119 490 Y CA 0.361 58.562 58.100 0.169 0.000 1.181 490 Y CB 0.255 38.763 38.460 0.080 0.000 1.304 490 Y HN 0.098 nan 8.280 nan 0.000 0.536 491 A N -0.341 122.596 122.820 0.194 0.000 2.259 491 A HA 0.511 4.848 4.320 0.028 0.000 0.213 491 A C 1.460 178.957 177.584 -0.145 0.000 1.209 491 A CA 0.533 52.605 52.037 0.059 0.000 0.910 491 A CB -0.412 18.610 19.000 0.037 0.000 0.946 491 A HN 0.541 nan 8.150 nan 0.000 0.497 492 G N -0.292 108.278 108.800 -0.384 0.000 2.462 492 G HA2 -0.080 3.897 3.960 0.028 0.000 0.283 492 G HA3 -0.080 3.897 3.960 0.028 0.000 0.283 492 G C -0.352 174.330 174.900 -0.364 0.000 1.043 492 G CA 0.674 45.282 45.100 -0.819 0.000 1.300 492 G HN 1.058 nan 8.290 nan 0.000 0.518 493 Q N 0.091 119.771 119.800 -0.201 0.000 2.646 493 Q HA 0.362 4.718 4.340 0.028 0.000 0.260 493 Q C -3.082 172.907 176.000 -0.018 0.000 0.975 493 Q CA -1.493 54.259 55.803 -0.086 0.000 0.936 493 Q CB 1.900 30.604 28.738 -0.057 0.000 1.591 493 Q HN 0.175 nan 8.270 nan 0.000 0.412 494 P HA 0.097 nan 4.420 nan 0.000 0.267 494 P C -1.104 176.245 177.300 0.082 0.000 1.209 494 P CA 0.044 63.216 63.100 0.120 0.000 0.763 494 P CB 0.610 32.432 31.700 0.203 0.000 0.816 495 V N -0.156 119.706 119.914 -0.087 0.000 3.182 495 V HA 0.564 4.701 4.120 0.028 0.000 0.308 495 V C -0.771 174.839 176.094 -0.806 0.000 1.240 495 V CA -1.084 60.985 62.300 -0.384 0.000 1.063 495 V CB 2.211 33.922 31.823 -0.186 0.000 1.076 495 V HN 0.234 nan 8.190 nan 0.000 0.446 496 D N 1.918 121.749 120.400 -0.949 0.000 2.344 496 D HA 0.241 4.898 4.640 0.028 0.000 0.253 496 D C 1.095 177.294 176.300 -0.169 0.000 1.255 496 D CA -0.212 53.398 54.000 -0.649 0.000 0.894 496 D CB 1.247 41.842 40.800 -0.342 0.000 1.067 496 D HN 0.526 nan 8.370 nan 0.000 0.492 497 M N 2.972 122.553 119.600 -0.030 0.000 2.065 497 M HA -0.169 4.327 4.480 0.028 0.000 0.259 497 M C 2.086 178.390 176.300 0.008 0.000 1.069 497 M CA 1.051 56.356 55.300 0.008 0.000 1.110 497 M CB -1.006 31.630 32.600 0.060 0.000 1.328 497 M HN 0.634 nan 8.290 nan 0.000 0.405 498 W N 2.029 123.258 121.300 -0.119 0.000 2.301 498 W HA -0.255 4.420 4.660 0.025 0.000 0.325 498 W C 1.141 177.586 176.519 -0.122 0.000 1.250 498 W CA 1.668 58.886 57.345 -0.211 0.000 1.261 498 W CB -0.736 28.527 29.460 -0.329 0.000 1.157 498 W HN 0.364 nan 8.180 nan 0.000 0.473 499 Q N 0.286 120.245 119.800 0.264 0.000 2.319 499 Q HA -0.049 4.308 4.340 0.028 0.000 0.217 499 Q C 0.630 176.634 176.000 0.008 0.000 0.924 499 Q CA 0.622 56.516 55.803 0.152 0.000 0.964 499 Q CB -0.238 28.588 28.738 0.147 0.000 1.025 499 Q HN 0.228 nan 8.270 nan 0.000 0.465 500 K N -1.195 119.167 120.400 -0.063 0.000 2.625 500 K HA 0.136 4.472 4.320 0.028 0.000 0.190 500 K C -0.004 176.511 176.600 -0.141 0.000 1.174 500 K CA 0.155 56.387 56.287 -0.091 0.000 1.103 500 K CB 1.532 33.983 32.500 -0.083 0.000 0.900 500 K HN 0.253 nan 8.250 nan 0.000 0.540 501 G N 1.640 110.315 108.800 -0.209 0.000 2.385 501 G HA2 -0.205 3.771 3.960 0.028 0.000 0.294 501 G HA3 -0.205 3.771 3.960 0.028 0.000 0.294 501 G C -0.318 174.430 174.900 -0.253 0.000 1.070 501 G CA 0.052 44.997 45.100 -0.258 0.000 1.172 501 G HN 0.115 nan 8.290 nan 0.000 0.516 502 V N 1.490 121.216 119.914 -0.313 0.000 2.558 502 V HA 0.492 4.628 4.120 0.028 0.000 0.261 502 V C -0.143 175.753 176.094 -0.329 0.000 0.958 502 V CA -0.571 61.580 62.300 -0.249 0.000 0.852 502 V CB 0.710 32.443 31.823 -0.149 0.000 1.067 502 V HN 0.436 nan 8.190 nan 0.000 0.468 503 I N 1.958 122.298 120.570 -0.383 0.000 2.846 503 I HA 0.676 4.862 4.170 0.028 0.000 0.307 503 I C 0.030 175.993 176.117 -0.257 0.000 1.053 503 I CA -0.469 60.580 61.300 -0.419 0.000 1.050 503 I CB 2.210 39.797 38.000 -0.688 0.000 1.239 503 I HN 0.390 nan 8.210 nan 0.000 0.439 504 E N 2.933 123.014 120.200 -0.198 0.000 2.383 504 E HA 0.388 4.754 4.350 0.028 0.000 0.275 504 E C -2.634 173.912 176.600 -0.090 0.000 0.918 504 E CA -2.104 54.221 56.400 -0.125 0.000 0.764 504 E CB 1.912 31.560 29.700 -0.086 0.000 1.252 504 E HN 0.191 nan 8.360 nan 0.000 0.449 505 P HA -0.063 nan 4.420 nan 0.000 0.256 505 P C 0.103 177.393 177.300 -0.016 0.000 1.189 505 P CA 0.433 63.508 63.100 -0.042 0.000 0.808 505 P CB 0.212 31.888 31.700 -0.039 0.000 0.793 506 A N 3.836 126.659 122.820 0.005 0.000 2.245 506 A HA -0.183 4.154 4.320 0.028 0.000 0.217 506 A C 1.687 179.286 177.584 0.026 0.000 1.171 506 A CA 1.264 53.321 52.037 0.034 0.000 0.688 506 A CB -0.958 18.082 19.000 0.068 0.000 0.781 506 A HN 0.506 nan 8.150 nan 0.000 0.479 507 L N -1.595 119.636 121.223 0.013 0.000 2.253 507 L HA 0.106 4.463 4.340 0.028 0.000 0.205 507 L C 2.295 179.169 176.870 0.007 0.000 1.078 507 L CA 1.332 56.180 54.840 0.014 0.000 0.805 507 L CB -0.252 41.816 42.059 0.014 0.000 0.963 507 L HN 0.138 nan 8.230 nan 0.000 0.459 508 V N 0.133 120.046 119.914 -0.001 0.000 2.255 508 V HA -0.306 3.831 4.120 0.028 0.000 0.247 508 V C 2.354 178.447 176.094 -0.002 0.000 1.051 508 V CA 2.253 64.552 62.300 -0.003 0.000 1.018 508 V CB -0.293 31.523 31.823 -0.013 0.000 0.641 508 V HN 0.575 nan 8.190 nan 0.000 0.445 509 K N -1.119 119.278 120.400 -0.005 0.000 2.569 509 K HA 0.039 4.375 4.320 0.028 0.000 0.193 509 K C 1.619 178.205 176.600 -0.023 0.000 1.026 509 K CA 0.709 56.989 56.287 -0.011 0.000 1.093 509 K CB -0.030 32.469 32.500 -0.001 0.000 0.849 509 K HN 0.637 nan 8.250 nan 0.000 0.509 510 M N -1.098 118.496 119.600 -0.010 0.000 2.800 510 M HA 0.050 4.547 4.480 0.028 0.000 0.257 510 M C 0.933 177.230 176.300 -0.006 0.000 1.309 510 M CA 0.818 56.114 55.300 -0.007 0.000 1.202 510 M CB 0.284 32.892 32.600 0.012 0.000 1.273 510 M HN 0.134 nan 8.290 nan 0.000 0.528 511 N N 0.610 119.313 118.700 0.004 0.000 2.309 511 N HA -0.044 4.712 4.740 0.028 0.000 0.182 511 N C 1.672 177.189 175.510 0.010 0.000 1.018 511 N CA 0.832 53.891 53.050 0.014 0.000 0.876 511 N CB -0.008 38.491 38.487 0.020 0.000 0.972 511 N HN 0.386 nan 8.380 nan 0.000 0.434 512 A N 2.049 124.865 122.820 -0.006 0.000 1.865 512 A HA -0.156 4.181 4.320 0.028 0.000 0.217 512 A C 2.027 179.588 177.584 -0.038 0.000 1.191 512 A CA 1.084 53.114 52.037 -0.011 0.000 0.623 512 A CB -0.548 18.437 19.000 -0.025 0.000 0.826 512 A HN 0.130 nan 8.150 nan 0.000 0.444 513 I N 0.127 120.632 120.570 -0.107 0.000 2.151 513 I HA -0.279 3.907 4.170 0.028 0.000 0.243 513 I C 2.243 178.379 176.117 0.033 0.000 1.080 513 I CA 1.946 63.159 61.300 -0.145 0.000 1.339 513 I CB -1.432 36.484 38.000 -0.140 0.000 1.039 513 I HN 0.405 nan 8.210 nan 0.000 0.409 514 K N 1.061 121.486 120.400 0.041 0.000 2.057 514 K HA -0.119 4.218 4.320 0.028 0.000 0.207 514 K C 2.304 178.956 176.600 0.085 0.000 1.049 514 K CA 1.581 57.912 56.287 0.073 0.000 0.931 514 K CB -0.262 32.270 32.500 0.053 0.000 0.714 514 K HN 0.316 nan 8.250 nan 0.000 0.440 515 A N 1.951 124.811 122.820 0.067 0.000 1.841 515 A HA -0.165 4.172 4.320 0.028 0.000 0.216 515 A C 2.492 180.135 177.584 0.098 0.000 1.199 515 A CA 2.085 54.165 52.037 0.072 0.000 0.621 515 A CB -1.133 17.901 19.000 0.058 0.000 0.835 515 A HN 0.326 nan 8.150 nan 0.000 0.445 516 A N -1.144 121.752 122.820 0.126 0.000 1.903 516 A HA -0.201 4.136 4.320 0.028 0.000 0.219 516 A C 2.306 179.989 177.584 0.164 0.000 1.191 516 A CA 2.747 54.896 52.037 0.187 0.000 0.638 516 A CB -1.576 17.671 19.000 0.412 0.000 0.823 516 A HN 0.492 nan 8.150 nan 0.000 0.451 517 T N -0.693 113.982 114.554 0.201 0.000 2.833 517 T HA -0.103 4.264 4.350 0.028 0.000 0.269 517 T C 1.829 176.625 174.700 0.161 0.000 1.054 517 T CA 1.613 63.828 62.100 0.191 0.000 1.135 517 T CB -0.213 68.829 68.868 0.290 0.000 0.869 517 T HN 0.703 nan 8.240 nan 0.000 0.466 518 E N 2.106 122.385 120.200 0.131 0.000 2.023 518 E HA -0.098 4.268 4.350 0.028 0.000 0.196 518 E C 2.282 178.937 176.600 0.092 0.000 1.003 518 E CA 1.729 58.192 56.400 0.104 0.000 0.809 518 E CB -0.777 28.973 29.700 0.083 0.000 0.755 518 E HN 0.372 nan 8.360 nan 0.000 0.449 519 A N 1.222 124.090 122.820 0.081 0.000 1.851 519 A HA -0.107 4.229 4.320 0.028 0.000 0.216 519 A C 2.558 180.182 177.584 0.066 0.000 1.195 519 A CA 2.905 54.981 52.037 0.065 0.000 0.622 519 A CB -1.500 17.535 19.000 0.058 0.000 0.831 519 A HN 0.477 nan 8.150 nan 0.000 0.444 520 A N -0.351 122.511 122.820 0.070 0.000 1.869 520 A HA -0.248 4.089 4.320 0.028 0.000 0.218 520 A C 2.495 180.147 177.584 0.114 0.000 1.203 520 A CA 3.409 55.491 52.037 0.074 0.000 0.638 520 A CB -1.733 17.295 19.000 0.046 0.000 0.831 520 A HN 0.990 nan 8.150 nan 0.000 0.450 521 T N -2.498 112.147 114.554 0.152 0.000 2.962 521 T HA -0.051 4.315 4.350 0.028 0.000 0.270 521 T C 1.682 176.423 174.700 0.069 0.000 1.088 521 T CA 1.376 63.553 62.100 0.128 0.000 1.127 521 T CB -0.338 68.621 68.868 0.151 0.000 0.883 521 T HN 0.223 nan 8.240 nan 0.000 0.493 522 L N 1.330 122.593 121.223 0.066 0.000 2.093 522 L HA 0.141 4.497 4.340 0.028 0.000 0.208 522 L C 2.567 179.457 176.870 0.034 0.000 1.085 522 L CA 1.215 56.083 54.840 0.047 0.000 0.755 522 L CB -0.643 41.444 42.059 0.048 0.000 0.904 522 L HN 0.164 nan 8.230 nan 0.000 0.435 523 V N -0.562 119.374 119.914 0.036 0.000 2.407 523 V HA -0.265 3.872 4.120 0.028 0.000 0.248 523 V C 2.454 178.554 176.094 0.011 0.000 1.055 523 V CA 1.588 63.905 62.300 0.028 0.000 1.049 523 V CB -0.613 31.228 31.823 0.029 0.000 0.662 523 V HN 0.351 nan 8.190 nan 0.000 0.455 524 L N -0.350 120.874 121.223 0.002 0.000 2.217 524 L HA -0.053 4.303 4.340 0.028 0.000 0.211 524 L C 2.469 179.311 176.870 -0.046 0.000 1.107 524 L CA 1.490 56.310 54.840 -0.035 0.000 0.783 524 L CB -0.798 41.226 42.059 -0.058 0.000 0.919 524 L HN 0.212 nan 8.230 nan 0.000 0.442 525 R N 0.125 120.614 120.500 -0.018 0.000 2.148 525 R HA -0.035 4.322 4.340 0.028 0.000 0.227 525 R C 0.549 176.843 176.300 -0.010 0.000 1.103 525 R CA 0.640 56.732 56.100 -0.014 0.000 0.983 525 R CB -0.222 30.083 30.300 0.009 0.000 0.874 525 R HN 0.040 nan 8.270 nan 0.000 0.451 526 I N 1.816 122.384 120.570 -0.003 0.000 2.533 526 I HA -0.055 4.131 4.170 0.028 0.000 0.284 526 I C 0.972 177.087 176.117 -0.003 0.000 1.109 526 I CA 0.638 61.940 61.300 0.003 0.000 1.412 526 I CB 0.922 38.931 38.000 0.014 0.000 1.396 526 I HN 0.301 nan 8.210 nan 0.000 0.543 527 D N 3.480 123.881 120.400 0.002 0.000 2.380 527 D HA -0.002 4.654 4.640 0.028 0.000 0.212 527 D C -0.004 176.302 176.300 0.010 0.000 1.021 527 D CA 0.594 54.596 54.000 0.003 0.000 0.884 527 D CB 0.913 41.719 40.800 0.010 0.000 1.001 527 D HN 0.656 nan 8.370 nan 0.000 0.506 528 D N -0.448 119.959 120.400 0.013 0.000 2.685 528 D HA 0.158 4.815 4.640 0.028 0.000 0.236 528 D C -1.356 174.952 176.300 0.013 0.000 1.233 528 D CA -0.579 53.430 54.000 0.016 0.000 0.760 528 D CB 2.027 42.835 40.800 0.014 0.000 1.410 528 D HN -0.126 nan 8.370 nan 0.000 0.439 529 V N 0.006 119.928 119.914 0.014 0.000 2.448 529 V HA 0.884 5.021 4.120 0.028 0.000 0.295 529 V C -0.689 175.404 176.094 -0.001 0.000 1.025 529 V CA -0.660 61.640 62.300 0.001 0.000 0.859 529 V CB 1.487 33.304 31.823 -0.011 0.000 0.988 529 V HN 0.357 nan 8.190 nan 0.000 0.431 530 V N 4.604 124.514 119.914 -0.006 0.000 2.482 530 V HA 0.680 4.817 4.120 0.028 0.000 0.295 530 V C 0.265 176.353 176.094 -0.011 0.000 1.026 530 V CA 0.166 62.463 62.300 -0.005 0.000 0.856 530 V CB 1.665 33.488 31.823 -0.001 0.000 1.001 530 V HN 1.249 nan 8.190 nan 0.000 0.424 531 S N 4.049 119.741 115.700 -0.014 0.000 2.704 531 S HA 0.973 5.459 4.470 0.028 0.000 0.305 531 S C -0.057 174.536 174.600 -0.011 0.000 1.107 531 S CA -0.157 58.033 58.200 -0.017 0.000 0.993 531 S CB 2.319 65.503 63.200 -0.027 0.000 1.110 531 S HN 1.188 nan 8.310 nan 0.000 0.534 532 A N 0.000 122.814 122.820 -0.011 0.000 2.254 532 A HA 0.000 4.337 4.320 0.028 0.000 0.244 532 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 532 A CB 0.000 18.997 19.000 -0.006 0.000 0.831 532 A HN 0.000 nan 8.150 nan 0.000 0.486