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_B 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 3.960 3.960 -0.000 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 -0.195 4.125 4.320 -0.000 0.000 0.207 29 K C 2.260 178.860 176.600 0.001 0.000 1.046 29 K CA 2.001 58.286 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 0.379 120.581 120.200 0.004 0.000 2.144 30 E HA -0.302 4.048 4.350 -0.000 0.000 0.243 30 E C 1.955 178.561 176.600 0.010 0.000 1.043 30 E CA 2.203 58.607 56.400 0.007 0.000 0.952 30 E CB -0.725 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 0.894 123.724 122.820 0.016 0.000 1.943 31 A HA 0.034 4.354 4.320 -0.000 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 18.506 19.000 0.039 0.000 0.833 31 A HN 0.116 nan 8.150 nan 0.000 0.451 32 V N 0.829 120.750 119.914 0.013 0.000 2.428 32 V HA -0.306 3.814 4.120 -0.000 0.000 0.255 32 V C 2.742 178.835 176.094 -0.003 0.000 1.080 32 V CA 2.306 64.609 62.300 0.004 0.000 1.083 32 V CB -0.922 30.894 31.823 -0.012 0.000 0.665 32 V HN 0.521 nan 8.190 nan 0.000 0.461 33 R N 0.340 120.837 120.500 -0.006 0.000 2.066 33 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 33 R C 2.352 178.631 176.300 -0.036 0.000 1.131 33 R CA 1.927 58.017 56.100 -0.016 0.000 0.955 33 R CB -0.986 29.307 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 4.079 4.320 -0.000 0.000 0.217 34 A C 1.930 179.420 177.584 -0.156 0.000 1.198 34 A CA 1.946 53.922 52.037 -0.101 0.000 0.629 34 A CB -0.772 18.200 19.000 -0.046 0.000 0.830 34 A HN 0.453 nan 8.150 nan 0.000 0.446 35 N N 0.205 118.895 118.700 -0.016 0.000 2.036 35 N HA -0.182 4.558 4.740 -0.000 0.000 0.195 35 N C 1.811 177.309 175.510 -0.021 0.000 1.037 35 N CA 1.874 54.950 53.050 0.043 0.000 0.855 35 N CB -0.619 37.922 38.487 0.090 0.000 1.033 35 N HN 0.584 nan 8.380 nan 0.000 0.423 36 I N 1.636 122.193 120.570 -0.023 0.000 2.087 36 I HA -0.341 3.829 4.170 -0.000 0.000 0.240 36 I C 2.522 178.606 176.117 -0.055 0.000 1.054 36 I CA 1.408 62.689 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 0.100 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 3.957 4.320 -0.000 0.000 0.219 37 A C 2.545 180.065 177.584 -0.106 0.000 1.224 37 A CA 2.948 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 -0.991 121.730 122.820 -0.166 0.000 1.892 38 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 38 A C 2.290 179.848 177.584 -0.042 0.000 1.188 38 A CA 2.376 54.335 52.037 -0.131 0.000 0.631 38 A CB -1.243 17.656 19.000 -0.168 0.000 0.822 38 A HN 0.598 nan 8.150 nan 0.000 0.447 39 V N 0.317 120.216 119.914 -0.025 0.000 2.233 39 V HA -0.332 3.788 4.120 -0.000 0.000 0.247 39 V C 2.445 178.522 176.094 -0.028 0.000 1.050 39 V CA 2.439 64.732 62.300 -0.012 0.000 1.010 39 V CB -0.868 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 4.055 4.320 -0.000 0.000 0.210 40 K C 2.306 178.881 176.600 -0.041 0.000 1.048 40 K CA 1.675 57.934 56.287 -0.048 0.000 0.926 40 K CB -0.578 31.891 32.500 -0.052 0.000 0.714 40 K HN 0.509 nan 8.250 nan 0.000 0.448 41 A N 1.253 124.049 122.820 -0.039 0.000 1.873 41 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 41 A C 2.450 180.023 177.584 -0.018 0.000 1.193 41 A CA 1.927 53.946 52.037 -0.031 0.000 0.629 41 A CB -0.860 18.119 19.000 -0.035 0.000 0.826 41 A HN 0.097 nan 8.150 nan 0.000 0.447 42 V N 0.073 119.980 119.914 -0.011 0.000 2.332 42 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 42 V C 2.511 178.602 176.094 -0.006 0.000 1.055 42 V CA 2.407 64.707 62.300 -0.000 0.000 1.038 42 V CB -0.861 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 0.171 120.360 120.200 -0.019 0.000 2.038 43 E HA -0.260 4.090 4.350 -0.000 0.000 0.195 43 E C 2.098 178.683 176.600 -0.024 0.000 1.000 43 E CA 1.358 57.741 56.400 -0.029 0.000 0.803 43 E CB -0.090 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 -0.337 119.848 120.200 -0.026 0.000 2.455 44 E HA -0.170 4.180 4.350 -0.000 0.000 0.202 44 E C 1.363 177.956 176.600 -0.011 0.000 1.045 44 E CA 0.813 57.201 56.400 -0.021 0.000 0.872 44 E CB 0.019 29.704 29.700 -0.023 0.000 0.792 44 E HN 0.372 nan 8.360 nan 0.000 0.542 45 A N -0.534 122.283 122.820 -0.004 0.000 2.115 45 A HA 0.088 4.408 4.320 -0.000 0.000 0.211 45 A C 1.837 179.429 177.584 0.013 0.000 1.169 45 A CA 0.302 52.342 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 -1.416 119.818 121.223 0.018 0.000 2.609 46 L HA 0.285 4.625 4.340 -0.000 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 41.710 42.059 0.057 0.000 1.139 46 L HN 0.272 nan 8.230 nan 0.000 0.490 47 K N 0.845 121.256 120.400 0.018 0.000 2.108 47 K HA -0.315 4.005 4.320 -0.000 0.000 0.219 47 K C 1.835 178.463 176.600 0.046 0.000 1.054 47 K CA 2.427 58.718 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 4.414 4.470 -0.000 0.000 0.228 48 S C 1.244 175.870 174.600 0.044 0.000 0.966 48 S CA 1.044 59.262 58.200 0.030 0.000 0.940 48 S CB -0.066 63.139 63.200 0.009 0.000 0.773 48 S HN 0.547 nan 8.310 nan 0.000 0.535 49 T N -3.661 110.937 114.554 0.074 0.000 3.043 49 T HA 0.286 4.636 4.350 -0.000 0.000 0.272 49 T C 0.225 174.987 174.700 0.104 0.000 0.990 49 T CA -0.648 61.491 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 4.961 4.550 -0.000 0.000 0.352 50 Y C 1.255 177.160 175.900 0.009 0.000 1.293 50 Y CA 1.153 59.259 58.100 0.010 0.000 1.601 50 Y CB -0.268 38.202 38.460 0.017 0.000 1.407 50 Y HN 0.698 nan 8.280 nan 0.000 0.639 51 G N 1.701 110.226 108.800 -0.459 0.000 2.880 51 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.617 51 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.617 51 G C -2.167 172.640 174.900 -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 0.931 178.221 177.300 -0.016 0.000 1.190 52 P CA 0.733 63.807 63.100 -0.042 0.000 0.781 52 P CB 0.364 32.065 31.700 0.003 0.000 0.931 53 R N 0.231 120.708 120.500 -0.038 0.000 2.748 53 R HA 0.387 4.726 4.340 -0.000 0.000 0.395 53 R C 0.818 177.081 176.300 -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 -0.175 0.000 1.392 53 R HN 0.046 nan 8.270 nan 0.000 0.582 54 G N 0.359 109.139 108.800 -0.034 0.000 2.570 54 G HA2 0.140 4.100 3.960 -0.000 0.000 0.276 54 G HA3 0.140 4.100 3.960 -0.000 0.000 0.276 54 G C 0.130 175.019 174.900 -0.019 0.000 1.346 54 G CA -0.475 44.617 45.100 -0.013 0.000 1.034 54 G HN 0.064 nan 8.290 nan 0.000 0.512 55 M N -0.348 119.248 119.600 -0.007 0.000 2.363 55 M HA 0.400 4.880 4.480 -0.000 0.000 0.280 55 M C -0.568 175.728 176.300 -0.006 0.000 1.182 55 M CA -0.375 54.918 55.300 -0.012 0.000 0.974 55 M CB 1.085 33.679 32.600 -0.010 0.000 1.452 55 M HN 0.329 nan 8.290 nan 0.000 0.507 56 D N 0.711 121.107 120.400 -0.008 0.000 2.481 56 D HA 0.394 5.034 4.640 -0.000 0.000 0.244 56 D C -0.639 175.658 176.300 -0.004 0.000 1.057 56 D CA -0.445 53.552 54.000 -0.005 0.000 0.848 56 D CB 1.924 42.719 40.800 -0.009 0.000 1.388 56 D HN 0.130 nan 8.370 nan 0.000 0.475 57 K N 1.287 121.687 120.400 -0.001 0.000 2.164 57 K HA 0.452 4.772 4.320 -0.000 0.000 0.258 57 K C -0.206 176.393 176.600 -0.002 0.000 0.951 57 K CA -0.606 55.681 56.287 -0.000 0.000 0.844 57 K CB 2.500 35.002 32.500 0.003 0.000 1.099 57 K HN 0.450 nan 8.250 nan 0.000 0.435 58 M N 3.657 123.255 119.600 -0.003 0.000 2.404 58 M HA 0.412 4.892 4.480 -0.000 0.000 0.338 58 M C -1.437 174.862 176.300 -0.002 0.000 1.150 58 M CA -0.678 54.620 55.300 -0.003 0.000 1.016 58 M CB 0.820 33.417 32.600 -0.005 0.000 1.672 58 M HN 0.420 nan 8.290 nan 0.000 0.448 59 L N 5.593 126.815 121.223 -0.002 0.000 2.404 59 L HA 0.524 4.864 4.340 -0.000 0.000 0.272 59 L C -1.255 175.613 176.870 -0.002 0.000 0.980 59 L CA -0.925 53.914 54.840 -0.001 0.000 0.836 59 L CB 1.900 43.959 42.059 -0.000 0.000 1.238 59 L HN 0.419 nan 8.230 nan 0.000 0.408 60 V N 1.677 121.590 119.914 -0.002 0.000 2.328 60 V HA 0.182 4.302 4.120 -0.000 0.000 0.278 60 V C 0.082 176.175 176.094 -0.002 0.000 1.021 60 V CA -0.550 61.749 62.300 -0.002 0.000 0.838 60 V CB 1.452 33.273 31.823 -0.003 0.000 0.999 60 V HN 0.639 nan 8.190 nan 0.000 0.447 61 D N 3.197 123.596 120.400 -0.002 0.000 2.419 61 D HA -0.038 4.602 4.640 -0.000 0.000 0.236 61 D C 1.455 177.754 176.300 -0.001 0.000 1.165 61 D CA 0.674 54.673 54.000 -0.001 0.000 0.882 61 D CB 1.497 42.295 40.800 -0.002 0.000 1.201 61 D HN 0.464 nan 8.370 nan 0.000 0.443 62 S N 1.839 117.538 115.700 -0.001 0.000 2.419 62 S HA -0.112 4.358 4.470 -0.000 0.000 0.233 62 S C 1.986 176.585 174.600 -0.001 0.000 1.016 62 S CA 0.498 58.698 58.200 -0.001 0.000 0.974 62 S CB -0.324 62.876 63.200 -0.000 0.000 0.786 62 S HN 0.549 nan 8.310 nan 0.000 0.492 63 L N -0.060 121.162 121.223 -0.002 0.000 2.191 63 L HA 0.065 4.405 4.340 -0.000 0.000 0.212 63 L C 1.665 178.533 176.870 -0.003 0.000 1.103 63 L CA 1.310 56.149 54.840 -0.002 0.000 0.769 63 L CB -0.268 41.789 42.059 -0.003 0.000 0.908 63 L HN 0.604 nan 8.230 nan 0.000 0.438 64 G N -1.596 107.203 108.800 -0.003 0.000 2.380 64 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.197 64 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.197 64 G C -0.153 174.745 174.900 -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 2.546 122.943 120.400 -0.004 0.000 2.389 65 D HA 0.417 5.057 4.640 -0.000 0.000 0.247 65 D C 0.911 177.208 176.300 -0.004 0.000 1.128 65 D CA 0.374 54.372 54.000 -0.004 0.000 0.884 65 D CB 1.446 42.243 40.800 -0.005 0.000 1.194 65 D HN 0.549 nan 8.370 nan 0.000 0.441 66 I N -0.902 119.665 120.570 -0.005 0.000 2.460 66 I HA 0.483 4.653 4.170 -0.000 0.000 0.298 66 I C -0.430 175.684 176.117 -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 39.195 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 0.557 4.907 4.350 -0.000 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 1.311 70.176 68.868 -0.005 0.000 0.984 67 T HN 0.655 nan 8.240 nan 0.000 0.442 68 I N 0.850 121.416 120.570 -0.006 0.000 2.336 68 I HA 0.890 5.060 4.170 -0.000 0.000 0.292 68 I C -0.069 176.045 176.117 -0.006 0.000 0.991 68 I CA -0.428 60.868 61.300 -0.006 0.000 1.227 68 I CB 1.781 39.777 38.000 -0.007 0.000 1.366 68 I HN 0.521 nan 8.210 nan 0.000 0.466 69 T N 3.027 117.579 114.554 -0.004 0.000 2.711 69 T HA 0.372 4.722 4.350 -0.000 0.000 0.302 69 T C -0.762 173.937 174.700 -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 4.864 4.740 -0.000 0.000 0.259 70 N C -1.128 174.384 175.510 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 39.069 38.487 -0.001 0.000 1.371 70 N HN 0.591 nan 8.380 nan 0.000 0.491 71 D N 0.471 120.873 120.400 0.003 0.000 2.280 71 D HA 0.267 4.907 4.640 -0.000 0.000 0.243 71 D C 1.221 177.528 176.300 0.012 0.000 1.129 71 D CA -0.197 53.806 54.000 0.003 0.000 0.848 71 D CB 1.713 42.513 40.800 -0.001 0.000 1.107 71 D HN 0.260 nan 8.370 nan 0.000 0.471 72 G N 3.785 112.597 108.800 0.019 0.000 2.553 72 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.218 72 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.218 72 G C 1.430 176.343 174.900 0.022 0.000 1.195 72 G CA 1.541 46.657 45.100 0.028 0.000 0.779 72 G HN 0.660 nan 8.290 nan 0.000 0.577 73 A N 0.203 123.034 122.820 0.018 0.000 1.870 73 A HA -0.197 4.123 4.320 -0.000 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 0.457 115.017 114.554 0.010 0.000 2.699 74 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 74 T C 1.699 176.405 174.700 0.009 0.000 1.036 74 T CA 1.532 63.636 62.100 0.008 0.000 1.147 74 T CB -0.366 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 -0.021 4.149 4.170 -0.000 0.000 0.258 75 I C 1.745 177.871 176.117 0.015 0.000 1.189 75 I CA 1.113 62.421 61.300 0.013 0.000 1.462 75 I CB -0.896 37.114 38.000 0.017 0.000 1.092 75 I HN 0.247 nan 8.210 nan 0.000 0.442 76 L N -0.312 120.921 121.223 0.016 0.000 2.425 76 L HA 0.062 4.402 4.340 -0.000 0.000 0.215 76 L C 1.926 178.805 176.870 0.014 0.000 1.065 76 L CA 0.892 55.742 54.840 0.017 0.000 0.842 76 L CB -0.478 41.594 42.059 0.021 0.000 1.033 76 L HN 0.010 nan 8.230 nan 0.000 0.474 77 D N 0.177 120.584 120.400 0.013 0.000 2.097 77 D HA -0.117 4.523 4.640 -0.000 0.000 0.197 77 D C 1.804 178.110 176.300 0.009 0.000 0.984 77 D CA 1.025 55.031 54.000 0.010 0.000 0.826 77 D CB -0.011 40.794 40.800 0.009 0.000 0.973 77 D HN 0.068 nan 8.370 nan 0.000 0.460 78 K N -0.050 120.354 120.400 0.008 0.000 2.486 78 K HA 0.047 4.367 4.320 -0.000 0.000 0.194 78 K C 0.808 177.413 176.600 0.007 0.000 1.033 78 K CA -0.009 56.282 56.287 0.006 0.000 1.004 78 K CB 0.083 32.586 32.500 0.004 0.000 0.798 78 K HN 0.274 nan 8.250 nan 0.000 0.495 79 M N 1.905 121.510 119.600 0.009 0.000 2.036 79 M HA 0.169 4.649 4.480 -0.000 0.000 0.337 79 M C -1.541 174.766 176.300 0.012 0.000 1.012 79 M CA -0.495 54.810 55.300 0.010 0.000 0.962 79 M CB 0.757 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 4.901 125.307 120.400 0.011 0.000 2.383 80 D HA 0.365 5.005 4.640 -0.000 0.000 0.252 80 D C -0.931 175.379 176.300 0.017 0.000 1.166 80 D CA 0.205 54.212 54.000 0.013 0.000 0.879 80 D CB 0.749 41.555 40.800 0.011 0.000 1.164 80 D HN 0.443 nan 8.370 nan 0.000 0.462 81 L N 1.338 122.574 121.223 0.021 0.000 2.330 81 L HA 0.508 4.848 4.340 -0.000 0.000 0.271 81 L C 0.715 177.605 176.870 0.033 0.000 1.013 81 L CA -0.575 54.284 54.840 0.031 0.000 0.816 81 L CB 1.046 43.127 42.059 0.037 0.000 1.287 81 L HN 0.253 nan 8.230 nan 0.000 0.435 82 Q N -0.068 119.760 119.800 0.047 0.000 2.581 82 Q HA 0.062 4.402 4.340 -0.000 0.000 0.222 82 Q C -0.054 175.969 176.000 0.039 0.000 0.904 82 Q CA 0.226 56.051 55.803 0.036 0.000 0.923 82 Q CB 0.209 28.968 28.738 0.035 0.000 1.117 82 Q HN 0.884 nan 8.270 nan 0.000 0.618 83 H N 3.487 122.558 119.070 0.002 0.000 3.173 83 H HA -0.073 4.483 4.556 -0.000 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 0.931 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 -0.286 nan 4.420 nan 0.000 0.215 84 P C 1.160 178.419 177.300 -0.068 0.000 1.157 84 P CA 2.183 65.151 63.100 -0.219 0.000 0.874 84 P CB -0.086 31.449 31.700 -0.276 0.000 0.790 85 A N 1.014 123.845 122.820 0.017 0.000 1.884 85 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 85 A C 2.633 180.278 177.584 0.102 0.000 1.197 85 A CA 3.116 55.231 52.037 0.131 0.000 0.637 85 A CB -1.746 17.415 19.000 0.270 0.000 0.827 85 A HN 0.288 nan 8.150 nan 0.000 0.450 86 A N -0.451 122.451 122.820 0.137 0.000 1.873 86 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 86 A C 2.117 179.731 177.584 0.050 0.000 1.193 86 A CA 2.070 54.157 52.037 0.084 0.000 0.629 86 A CB -0.591 18.464 19.000 0.093 0.000 0.826 86 A HN 0.571 nan 8.150 nan 0.000 0.447 87 K N -1.102 119.319 120.400 0.036 0.000 2.152 87 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 87 K C 1.847 178.460 176.600 0.021 0.000 1.048 87 K CA 1.295 57.594 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 1.142 122.378 121.223 0.022 0.000 2.072 88 L HA -0.107 4.233 4.340 -0.000 0.000 0.205 88 L C 2.008 178.897 176.870 0.032 0.000 1.079 88 L CA 1.249 56.104 54.840 0.024 0.000 0.752 88 L CB -0.538 41.535 42.059 0.023 0.000 0.906 88 L HN 0.075 nan 8.230 nan 0.000 0.436 89 L N -0.593 120.652 121.223 0.038 0.000 1.988 89 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 89 L C 2.592 179.484 176.870 0.037 0.000 1.071 89 L CA 2.339 57.202 54.840 0.039 0.000 0.744 89 L CB -1.015 41.067 42.059 0.038 0.000 0.893 89 L HN 0.260 nan 8.230 nan 0.000 0.433 90 V N -1.805 118.130 119.914 0.034 0.000 2.469 90 V HA -0.334 3.786 4.120 -0.000 0.000 0.251 90 V C 2.387 178.499 176.094 0.029 0.000 1.064 90 V CA 2.125 64.444 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 0.320 120.137 119.800 0.027 0.000 2.124 91 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 91 Q C 2.196 178.213 176.000 0.029 0.000 0.977 91 Q CA 2.557 58.375 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 0.267 120.857 120.570 0.033 0.000 2.406 92 I HA -0.149 4.021 4.170 -0.000 0.000 0.249 92 I C 2.423 178.564 176.117 0.040 0.000 1.122 92 I CA 0.682 62.005 61.300 0.038 0.000 1.431 92 I CB -0.439 37.587 38.000 0.044 0.000 1.087 92 I HN 0.222 nan 8.210 nan 0.000 0.424 93 A N 1.377 124.221 122.820 0.041 0.000 1.832 93 A HA -0.178 4.142 4.320 -0.000 0.000 0.214 93 A C 2.373 179.978 177.584 0.036 0.000 1.200 93 A CA 1.491 53.554 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 0.211 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 4.207 4.320 -0.000 0.000 0.214 94 K C 1.472 178.088 176.600 0.026 0.000 1.049 94 K CA 1.176 57.479 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 2.546 111.362 108.800 0.026 0.000 3.180 95 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.252 95 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.252 95 G C 0.262 175.179 174.900 0.029 0.000 0.871 95 G CA -0.035 45.080 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 -0.000 4.340 4.340 -0.000 0.000 0.257 96 Q C 0.629 176.648 176.000 0.031 0.000 1.187 96 Q CA 0.568 56.390 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 0.344 nan 8.270 nan 0.000 0.592 97 D N -0.819 119.599 120.400 0.031 0.000 2.369 97 D HA 0.147 4.787 4.640 -0.000 0.000 0.211 97 D C -0.395 175.925 176.300 0.032 0.000 1.077 97 D CA 0.197 54.217 54.000 0.032 0.000 0.842 97 D CB 0.668 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 4.555 4.350 -0.000 0.000 0.243 98 E C 0.330 176.943 176.600 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 4.265 4.350 -0.000 0.000 0.205 99 E C 0.335 176.938 176.600 0.004 0.000 0.957 99 E CA 1.144 57.549 56.400 0.009 0.000 0.886 99 E CB -1.111 28.589 29.700 -0.000 0.000 0.824 99 E HN 0.520 nan 8.360 nan 0.000 0.555 100 T N -0.013 114.539 114.554 -0.004 0.000 2.870 100 T HA -0.073 4.277 4.350 -0.000 0.000 0.311 100 T C 0.900 175.600 174.700 -0.001 0.000 1.052 100 T CA 0.561 62.657 62.100 -0.007 0.000 1.131 100 T CB 0.398 69.257 68.868 -0.015 0.000 1.082 100 T HN 0.356 nan 8.240 nan 0.000 0.511 101 A N 3.745 126.564 122.820 -0.002 0.000 2.208 101 A HA 0.196 4.516 4.320 -0.000 0.000 0.209 101 A C 0.719 178.306 177.584 0.005 0.000 1.161 101 A CA 0.233 52.272 52.037 0.004 0.000 0.782 101 A CB -0.276 18.726 19.000 0.003 0.000 0.816 101 A HN 0.911 nan 8.150 nan 0.000 0.477 102 D N -1.232 119.166 120.400 -0.004 0.000 2.400 102 D HA 0.389 5.029 4.640 -0.000 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 0.329 41.114 40.800 -0.024 0.000 1.199 102 D HN 0.332 nan 8.370 nan 0.000 0.436 103 G N 0.517 109.326 108.800 0.015 0.000 2.234 103 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.260 103 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.260 103 G C 1.330 176.266 174.900 0.060 0.000 0.987 103 G CA 1.060 46.184 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 4.398 4.350 -0.000 0.000 0.268 104 T C 1.970 176.717 174.700 0.078 0.000 1.057 104 T CA 1.865 63.998 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 0.828 121.284 120.400 0.092 0.000 2.097 105 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 105 K C 2.350 179.075 176.600 0.208 0.000 1.049 105 K CA 1.521 57.890 56.287 0.138 0.000 0.933 105 K CB -0.384 32.202 32.500 0.143 0.000 0.717 105 K HN 0.352 nan 8.250 nan 0.000 0.442 106 T N 0.436 115.136 114.554 0.243 0.000 2.698 106 T HA -0.087 4.263 4.350 -0.000 0.000 0.260 106 T C 1.806 176.600 174.700 0.155 0.000 1.044 106 T CA 1.258 63.525 62.100 0.278 0.000 1.149 106 T CB -0.466 68.546 68.868 0.241 0.000 0.864 106 T HN 0.388 nan 8.240 nan 0.000 0.419 107 A N 0.980 123.868 122.820 0.114 0.000 1.929 107 A HA -0.183 4.137 4.320 -0.000 0.000 0.221 107 A C 2.574 180.228 177.584 0.116 0.000 1.211 107 A CA 2.381 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 0.113 120.079 119.914 0.088 0.000 2.283 108 V HA -0.156 3.964 4.120 -0.000 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 -0.497 31.355 31.823 0.047 0.000 0.650 108 V HN 0.509 nan 8.190 nan 0.000 0.449 109 I N 0.119 120.701 120.570 0.020 0.000 2.091 109 I HA -0.275 3.895 4.170 -0.000 0.000 0.239 109 I C 2.435 178.518 176.117 -0.057 0.000 1.061 109 I CA 2.446 63.711 61.300 -0.059 0.000 1.317 109 I CB -1.786 36.097 38.000 -0.195 0.000 1.031 109 I HN 0.477 nan 8.210 nan 0.000 0.401 110 F N 1.319 121.182 119.950 -0.146 0.000 2.161 110 F HA -0.266 4.261 4.527 -0.000 0.000 0.300 110 F C 2.929 178.637 175.800 -0.153 0.000 1.089 110 F CA 1.923 59.831 58.000 -0.154 0.000 1.282 110 F CB -0.219 38.711 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 0.017 0.000 2.351 111 S HA -0.175 4.295 4.470 -0.000 0.000 0.220 111 S C 2.342 176.853 174.600 -0.148 0.000 1.035 111 S CA 1.688 59.858 58.200 -0.049 0.000 1.031 111 S CB -1.256 61.962 63.200 0.030 0.000 0.928 111 S HN 0.566 nan 8.310 nan 0.000 0.433 112 G N 1.008 109.743 108.800 -0.110 0.000 2.448 112 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.219 112 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.219 112 G C 1.421 176.218 174.900 -0.171 0.000 1.127 112 G CA 0.567 45.600 45.100 -0.111 0.000 0.766 112 G HN 0.479 nan 8.290 nan 0.000 0.552 113 E N -0.004 120.040 120.200 -0.260 0.000 2.106 113 E HA -0.039 4.311 4.350 -0.000 0.000 0.192 113 E C 2.573 178.959 176.600 -0.357 0.000 0.984 113 E CA 0.420 56.638 56.400 -0.302 0.000 0.806 113 E CB -0.164 29.320 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 4.180 4.340 -0.000 0.000 0.208 114 L C 2.478 179.278 176.870 -0.116 0.000 1.077 114 L CA 1.041 55.598 54.840 -0.472 0.000 0.747 114 L CB -0.992 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 -0.652 119.199 119.914 -0.105 0.000 2.287 115 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 115 V C 2.465 178.534 176.094 -0.041 0.000 1.053 115 V CA 1.727 64.008 62.300 -0.033 0.000 1.027 115 V CB -0.710 31.087 31.823 -0.043 0.000 0.646 115 V HN 0.425 nan 8.190 nan 0.000 0.447 116 K N 0.154 120.507 120.400 -0.078 0.000 1.978 116 K HA -0.184 4.136 4.320 -0.000 0.000 0.214 116 K C 2.246 178.815 176.600 -0.051 0.000 1.049 116 K CA 1.452 57.698 56.287 -0.068 0.000 0.939 116 K CB -0.341 32.105 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 -0.114 4.206 4.320 -0.000 0.000 0.203 117 K C 1.956 178.571 176.600 0.026 0.000 1.046 117 K CA 1.194 57.463 56.287 -0.030 0.000 0.938 117 K CB -0.222 32.246 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 -0.110 4.210 4.320 -0.000 0.000 0.216 118 A C 2.123 179.703 177.584 -0.007 0.000 1.170 118 A CA 0.996 53.054 52.037 0.034 0.000 0.645 118 A CB -0.210 18.813 19.000 0.039 0.000 0.816 118 A HN 0.370 nan 8.150 nan 0.000 0.447 119 E N 0.272 120.469 120.200 -0.004 0.000 2.118 119 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 119 E C 0.967 177.585 176.600 0.028 0.000 0.992 119 E CA 1.341 57.742 56.400 0.003 0.000 0.804 119 E CB -0.104 29.590 29.700 -0.009 0.000 0.741 119 E HN 0.545 nan 8.360 nan 0.000 0.458 120 D N 0.329 120.735 120.400 0.011 0.000 2.263 120 D HA -0.154 4.486 4.640 -0.000 0.000 0.208 120 D C 1.833 178.177 176.300 0.074 0.000 0.971 120 D CA 0.522 54.534 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 0.493 121.741 121.223 0.041 0.000 2.095 121 L HA -0.074 4.266 4.340 -0.000 0.000 0.204 121 L C 2.319 179.211 176.870 0.036 0.000 1.080 121 L CA 0.651 55.508 54.840 0.029 0.000 0.759 121 L CB -0.775 41.270 42.059 -0.022 0.000 0.914 121 L HN 0.101 nan 8.230 nan 0.000 0.439 122 L N -1.321 119.919 121.223 0.028 0.000 2.131 122 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 122 L C 2.498 179.399 176.870 0.051 0.000 1.092 122 L CA 1.573 56.424 54.840 0.018 0.000 0.759 122 L CB -1.652 40.409 42.059 0.004 0.000 0.903 122 L HN 0.258 nan 8.230 nan 0.000 0.435 123 Y N 1.386 121.673 120.300 -0.023 0.000 2.224 123 Y HA -0.227 4.323 4.550 -0.000 0.000 0.289 123 Y C 2.340 178.232 175.900 -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 38.461 38.460 -0.016 0.000 0.983 123 Y HN 0.080 nan 8.280 nan 0.000 0.524 124 K N 0.480 120.960 120.400 0.133 0.000 2.525 124 K HA -0.078 4.242 4.320 -0.000 0.000 0.192 124 K C -0.083 176.509 176.600 -0.012 0.000 1.029 124 K CA 0.938 57.260 56.287 0.057 0.000 1.029 124 K CB -0.183 32.367 32.500 0.084 0.000 0.814 124 K HN 0.310 nan 8.250 nan 0.000 0.503 125 D N 0.524 120.905 120.400 -0.032 0.000 2.760 125 D HA -0.131 4.509 4.640 -0.000 0.000 0.244 125 D C -1.065 175.235 176.300 0.000 0.000 1.123 125 D CA 0.412 54.395 54.000 -0.030 0.000 0.719 125 D CB -0.746 40.022 40.800 -0.052 0.000 1.045 125 D HN 0.062 nan 8.370 nan 0.000 0.426 126 V N 0.148 120.067 119.914 0.008 0.000 2.378 126 V HA 0.590 4.710 4.120 -0.000 0.000 0.288 126 V C 0.521 176.637 176.094 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 0.350 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 4.647 4.556 -0.000 0.000 0.311 127 H C -1.308 173.992 175.328 -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 -0.192 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 1.536 64.441 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 -0.674 113.718 114.554 -0.271 0.000 2.833 129 T HA -0.075 4.274 4.350 -0.000 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 0.858 121.440 120.570 0.019 0.000 2.233 130 I HA 0.002 4.172 4.170 -0.000 0.000 0.243 130 I C 2.314 178.383 176.117 -0.080 0.000 1.093 130 I CA 1.054 62.352 61.300 -0.005 0.000 1.380 130 I CB -1.173 36.837 38.000 0.016 0.000 1.067 130 I HN 0.331 nan 8.210 nan 0.000 0.413 131 I N 0.707 121.181 120.570 -0.160 0.000 2.423 131 I HA -0.288 3.882 4.170 -0.000 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 0.403 120.857 120.570 -0.193 0.000 2.163 132 I HA -0.207 3.963 4.170 -0.000 0.000 0.240 132 I C 2.669 178.808 176.117 0.036 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 4.349 4.470 -0.000 0.000 0.226 133 S C 2.159 176.802 174.600 0.070 0.000 1.033 133 S CA 1.298 59.529 58.200 0.050 0.000 1.011 133 S CB -0.872 62.348 63.200 0.033 0.000 0.852 133 S HN 0.619 nan 8.310 nan 0.000 0.457 134 G N 0.513 109.335 108.800 0.037 0.000 2.514 134 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 134 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 134 G C 1.178 176.225 174.900 0.244 0.000 1.198 134 G CA 0.862 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 0.569 120.952 120.300 0.139 0.000 2.165 135 Y HA -0.168 4.382 4.550 -0.000 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 1.000 121.567 120.400 0.280 0.000 1.978 136 K HA -0.179 4.141 4.320 -0.000 0.000 0.214 136 K C 1.795 178.456 176.600 0.102 0.000 1.049 136 K CA 1.650 58.038 56.287 0.168 0.000 0.939 136 K CB -0.321 32.256 32.500 0.128 0.000 0.721 136 K HN 0.143 nan 8.250 nan 0.000 0.441 137 K N -0.184 120.277 120.400 0.103 0.000 2.113 137 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 137 K C 2.107 178.778 176.600 0.118 0.000 1.047 137 K CA 1.402 57.763 56.287 0.123 0.000 0.928 137 K CB -0.230 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 1.537 124.341 122.820 -0.027 0.000 1.930 138 A HA -0.203 4.116 4.320 -0.000 0.000 0.217 138 A C 2.109 179.421 177.584 -0.453 0.000 1.175 138 A CA 1.423 53.300 52.037 -0.266 0.000 0.627 138 A CB -0.371 18.290 19.000 -0.564 0.000 0.815 138 A HN 0.401 nan 8.150 nan 0.000 0.443 139 E N -0.203 119.766 120.200 -0.385 0.000 2.058 139 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 139 E C 1.794 178.352 176.600 -0.069 0.000 0.997 139 E CA 1.306 57.598 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 0.362 120.550 120.200 -0.020 0.000 2.045 140 E HA -0.233 4.117 4.350 -0.000 0.000 0.212 140 E C 2.298 178.878 176.600 -0.033 0.000 1.039 140 E CA 1.616 58.012 56.400 -0.006 0.000 0.860 140 E CB -0.774 28.934 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 -0.306 3.814 4.120 -0.000 0.000 0.249 141 V C 2.520 178.584 176.094 -0.050 0.000 1.056 141 V CA 2.220 64.474 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 0.344 nan 8.190 nan 0.000 0.445 142 A N -0.489 122.294 122.820 -0.061 0.000 1.958 142 A HA -0.247 4.073 4.320 -0.000 0.000 0.221 142 A C 2.175 179.749 177.584 -0.017 0.000 1.178 142 A CA 2.398 54.411 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 0.163 121.373 121.223 -0.020 0.000 1.993 143 L HA -0.188 4.152 4.340 -0.000 0.000 0.206 143 L C 2.923 179.792 176.870 -0.002 0.000 1.074 143 L CA 2.601 57.439 54.840 -0.004 0.000 0.746 143 L CB -0.928 41.133 42.059 0.003 0.000 0.896 143 L HN 0.700 nan 8.230 nan 0.000 0.435 144 Q N -2.149 117.643 119.800 -0.013 0.000 2.297 144 Q HA -0.204 4.136 4.340 -0.000 0.000 0.208 144 Q C 1.493 177.486 176.000 -0.011 0.000 0.981 144 Q CA 2.010 57.805 55.803 -0.014 0.000 0.876 144 Q CB -0.986 27.733 28.738 -0.032 0.000 0.921 144 Q HN 0.437 nan 8.270 nan 0.000 0.446 145 T N 1.000 115.546 114.554 -0.014 0.000 3.007 145 T HA 0.014 4.364 4.350 -0.000 0.000 0.270 145 T C 1.567 176.279 174.700 0.018 0.000 1.107 145 T CA 0.930 63.025 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 0.088 120.677 120.570 0.033 0.000 2.731 146 I HA -0.032 4.138 4.170 -0.000 0.000 0.260 146 I C 2.626 178.786 176.117 0.071 0.000 1.138 146 I CA 0.578 61.919 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 1.471 121.297 119.800 0.044 0.000 1.942 147 Q HA -0.220 4.120 4.340 -0.000 0.000 0.203 147 Q C 1.118 177.140 176.000 0.038 0.000 0.987 147 Q CA 1.642 57.469 55.803 0.041 0.000 0.844 147 Q CB -0.346 28.407 28.738 0.024 0.000 0.911 147 Q HN 0.557 nan 8.270 nan 0.000 0.423 148 E N 0.676 120.885 120.200 0.016 0.000 2.888 148 E HA -0.010 4.340 4.350 -0.000 0.000 0.271 148 E C 0.835 177.433 176.600 -0.004 0.000 1.527 148 E CA 0.154 56.555 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 -1.090 120.150 121.223 0.028 0.000 3.705 149 L HA 0.262 4.602 4.340 -0.000 0.000 0.382 149 L C 0.312 177.274 176.870 0.153 0.000 0.971 149 L CA 0.283 55.135 54.840 0.019 0.000 1.566 149 L CB 0.022 42.083 42.059 0.003 0.000 2.300 149 L HN 0.229 nan 8.230 nan 0.000 0.609 150 A N 1.103 124.037 122.820 0.189 0.000 2.466 150 A HA 0.368 4.688 4.320 -0.000 0.000 0.238 150 A C -0.247 177.475 177.584 0.230 0.000 1.074 150 A CA 0.352 52.547 52.037 0.262 0.000 0.774 150 A CB 0.275 19.374 19.000 0.164 0.000 1.015 150 A HN 0.464 nan 8.150 nan 0.000 0.498 151 Q N 0.040 119.995 119.800 0.258 0.000 2.274 151 Q HA 0.352 4.692 4.340 -0.000 0.000 0.260 151 Q C -0.715 175.373 176.000 0.146 0.000 0.974 151 Q CA -0.487 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 1.638 116.252 114.554 0.100 0.000 2.751 152 T HA 0.129 4.479 4.350 -0.000 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 0.177 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 3.798 123.744 119.914 0.053 0.000 2.459 153 V HA 0.686 4.806 4.120 -0.000 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 1.984 33.811 31.823 0.006 0.000 0.985 153 V HN 0.837 nan 8.190 nan 0.000 0.438 154 S N 5.040 120.717 115.700 -0.038 0.000 2.482 154 S HA 0.420 4.890 4.470 -0.000 0.000 0.303 154 S C 0.845 175.375 174.600 -0.117 0.000 1.091 154 S CA -0.641 57.511 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 4.383 124.816 120.570 -0.228 0.000 2.761 155 I HA -0.226 3.944 4.170 -0.000 0.000 0.266 155 I C 1.000 177.061 176.117 -0.094 0.000 1.239 155 I CA 1.394 62.552 61.300 -0.236 0.000 1.451 155 I CB -0.148 37.558 38.000 -0.490 0.000 1.096 155 I HN 0.638 nan 8.210 nan 0.000 0.465 156 N N 0.893 119.570 118.700 -0.038 0.000 2.106 156 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 156 N C 0.739 176.244 175.510 -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 4.591 4.640 -0.000 0.000 0.260 157 D C 0.665 176.945 176.300 -0.034 0.000 1.326 157 D CA 0.357 54.348 54.000 -0.014 0.000 1.023 157 D CB 0.321 41.119 40.800 -0.003 0.000 1.083 157 D HN 0.124 nan 8.370 nan 0.000 0.517 158 T N 1.922 116.460 114.554 -0.028 0.000 3.023 158 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 158 T C 1.313 175.987 174.700 -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 4.661 4.640 -0.000 0.000 0.216 159 D C 1.672 177.930 176.300 -0.070 0.000 0.970 159 D CA 0.307 54.280 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 4.467 4.340 -0.000 0.000 0.201 160 L C 1.626 178.407 176.870 -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 41.592 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 4.202 4.340 -0.000 0.000 0.212 161 L C 2.596 179.401 176.870 -0.108 0.000 1.103 161 L CA 1.273 56.043 54.840 -0.117 0.000 0.769 161 L CB -1.002 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 0.194 120.636 120.500 -0.097 0.000 2.127 162 R HA -0.167 4.173 4.340 -0.000 0.000 0.238 162 R C 2.021 178.259 176.300 -0.104 0.000 1.134 162 R CA 1.592 57.641 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 -0.558 119.758 120.400 -0.140 0.000 2.056 163 K HA 0.102 4.422 4.320 -0.000 0.000 0.205 163 K C 2.055 178.552 176.600 -0.172 0.000 1.035 163 K CA 1.297 57.483 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 0.052 nan 8.250 nan 0.000 0.447 164 I N 2.022 122.473 120.570 -0.199 0.000 2.285 164 I HA -0.372 3.798 4.170 -0.000 0.000 0.253 164 I C 2.493 178.532 176.117 -0.130 0.000 1.104 164 I CA 1.351 62.542 61.300 -0.181 0.000 1.372 164 I CB -0.573 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 0.799 123.553 122.820 -0.110 0.000 1.873 165 A HA -0.168 4.152 4.320 -0.000 0.000 0.215 165 A C 2.352 179.891 177.584 -0.076 0.000 1.186 165 A CA 1.512 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 -0.679 118.872 119.600 -0.082 0.000 2.159 166 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 166 M C 1.962 178.214 176.300 -0.079 0.000 1.063 166 M CA 1.787 57.043 55.300 -0.073 0.000 1.110 166 M CB -0.896 31.657 32.600 -0.078 0.000 1.374 166 M HN 0.331 nan 8.290 nan 0.000 0.411 167 T N -0.181 114.312 114.554 -0.103 0.000 2.969 167 T HA -0.119 4.231 4.350 -0.000 0.000 0.271 167 T C 1.901 176.548 174.700 -0.087 0.000 1.127 167 T CA 1.620 63.657 62.100 -0.105 0.000 1.102 167 T CB -0.168 68.615 68.868 -0.140 0.000 0.855 167 T HN 0.428 nan 8.240 nan 0.000 0.536 168 S N 0.499 116.152 115.700 -0.078 0.000 2.620 168 S HA 0.082 4.552 4.470 -0.000 0.000 0.234 168 S C 1.794 176.362 174.600 -0.053 0.000 1.064 168 S CA 0.057 58.217 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 1.028 122.223 121.223 -0.047 0.000 2.179 169 L HA 0.419 4.759 4.340 -0.000 0.000 0.208 169 L C 2.079 178.930 176.870 -0.032 0.000 1.096 169 L CA 1.464 56.283 54.840 -0.036 0.000 0.779 169 L CB -1.465 40.575 42.059 -0.031 0.000 0.922 169 L HN 0.093 nan 8.230 nan 0.000 0.443 170 S N -0.151 115.528 115.700 -0.034 0.000 2.440 170 S HA -0.203 4.267 4.470 -0.000 0.000 0.238 170 S C 2.163 176.756 174.600 -0.012 0.000 1.010 170 S CA 1.325 59.512 58.200 -0.022 0.000 0.972 170 S CB -0.529 62.655 63.200 -0.028 0.000 0.774 170 S HN 0.682 nan 8.310 nan 0.000 0.501 171 S N 0.579 116.264 115.700 -0.026 0.000 2.402 171 S HA -0.018 4.452 4.470 -0.000 0.000 0.229 171 S C 0.894 175.479 174.600 -0.024 0.000 1.021 171 S CA 0.806 58.988 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 0.809 121.195 120.400 -0.023 0.000 2.118 172 K HA 0.414 4.734 4.320 -0.000 0.000 0.240 172 K C 1.599 178.191 176.600 -0.014 0.000 1.035 172 K CA 0.433 56.709 56.287 -0.019 0.000 0.899 172 K CB -0.188 32.300 32.500 -0.020 0.000 1.085 172 K HN 0.155 nan 8.250 nan 0.000 0.498 173 A N 0.963 123.775 122.820 -0.014 0.000 1.859 173 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 173 A C 0.950 178.526 177.584 -0.013 0.000 1.209 173 A CA 1.623 53.653 52.037 -0.013 0.000 0.639 173 A CB -0.838 18.153 19.000 -0.014 0.000 0.835 173 A HN 0.372 nan 8.150 nan 0.000 0.450 174 V N 0.644 120.547 119.914 -0.019 0.000 2.456 174 V HA 0.186 4.306 4.120 -0.000 0.000 0.247 174 V C 1.208 177.290 176.094 -0.021 0.000 1.056 174 V CA 0.714 63.000 62.300 -0.024 0.000 1.203 174 V CB -0.351 31.452 31.823 -0.033 0.000 1.185 174 V HN 0.609 nan 8.190 nan 0.000 0.477 175 A N 3.942 126.754 122.820 -0.014 0.000 2.470 175 A HA 0.540 4.860 4.320 -0.000 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 0.130 19.136 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 4.460 3.960 -0.000 0.000 0.248 176 G HA3 0.500 4.460 3.960 -0.000 0.000 0.248 176 G C 0.781 175.663 174.900 -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 1.553 124.362 122.820 -0.018 0.000 1.928 177 A HA -0.194 4.126 4.320 -0.000 0.000 0.252 177 A C 2.125 179.720 177.584 0.018 0.000 1.250 177 A CA 1.332 53.372 52.037 0.005 0.000 0.764 177 A CB -0.617 18.391 19.000 0.014 0.000 1.129 177 A HN 1.010 nan 8.150 nan 0.000 0.318 178 R N 0.188 120.694 120.500 0.009 0.000 2.153 178 R HA -0.080 4.260 4.340 -0.000 0.000 0.218 178 R C 1.171 177.495 176.300 0.039 0.000 1.072 178 R CA 1.114 57.221 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 0.928 121.150 120.200 0.037 0.000 2.130 179 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 179 E C 1.622 178.265 176.600 0.072 0.000 0.998 179 E CA 1.246 57.663 56.400 0.029 0.000 0.806 179 E CB -0.413 29.295 29.700 0.014 0.000 0.738 179 E HN 0.383 nan 8.360 nan 0.000 0.459 180 Y N 1.220 121.500 120.300 -0.034 0.000 2.097 180 Y HA -0.237 4.313 4.550 -0.000 0.000 0.282 180 Y C 2.209 178.089 175.900 -0.034 0.000 1.152 180 Y CA 1.493 59.575 58.100 -0.031 0.000 1.136 180 Y CB -0.325 38.119 38.460 -0.028 0.000 0.975 180 Y HN -0.022 nan 8.280 nan 0.000 0.498 181 I N 0.069 120.802 120.570 0.271 0.000 2.252 181 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 181 I C 2.671 178.825 176.117 0.063 0.000 1.102 181 I CA 1.344 62.732 61.300 0.147 0.000 1.385 181 I CB -2.086 35.947 38.000 0.055 0.000 1.064 181 I HN 0.308 nan 8.210 nan 0.000 0.414 182 A N 0.894 123.735 122.820 0.036 0.000 1.873 182 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 182 A C 2.239 179.815 177.584 -0.014 0.000 1.193 182 A CA 2.268 54.302 52.037 -0.004 0.000 0.629 182 A CB -0.929 18.059 19.000 -0.019 0.000 0.826 182 A HN 0.457 nan 8.150 nan 0.000 0.447 183 D N -0.152 120.240 120.400 -0.014 0.000 2.116 183 D HA -0.171 4.469 4.640 -0.000 0.000 0.193 183 D C 1.948 178.230 176.300 -0.031 0.000 0.998 183 D CA 1.639 55.618 54.000 -0.036 0.000 0.836 183 D CB -0.160 40.603 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 -0.262 3.908 4.170 -0.000 0.000 0.239 184 I C 2.832 178.940 176.117 -0.014 0.000 1.061 184 I CA 0.663 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 0.787 120.696 119.914 -0.010 0.000 2.317 185 V HA -0.297 3.823 4.120 -0.000 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 -0.797 31.014 31.823 -0.021 0.000 0.651 185 V HN 0.223 nan 8.190 nan 0.000 0.450 186 V N -0.350 119.549 119.914 -0.027 0.000 2.261 186 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 186 V C 2.415 178.502 176.094 -0.012 0.000 1.047 186 V CA 2.283 64.565 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 0.495 120.895 120.400 0.000 0.000 2.063 187 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 187 K C 2.322 178.949 176.600 0.045 0.000 1.048 187 K CA 1.530 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 1.124 123.956 122.820 0.019 0.000 1.940 188 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 188 A C 2.378 179.975 177.584 0.021 0.000 1.176 188 A CA 1.732 53.779 52.037 0.015 0.000 0.631 188 A CB -0.590 18.404 19.000 -0.011 0.000 0.814 188 A HN 0.095 nan 8.150 nan 0.000 0.446 189 V N 0.049 119.968 119.914 0.009 0.000 2.331 189 V HA -0.168 3.952 4.120 -0.000 0.000 0.242 189 V C 2.833 178.945 176.094 0.030 0.000 1.034 189 V CA 2.129 64.432 62.300 0.006 0.000 1.027 189 V CB -1.649 30.162 31.823 -0.020 0.000 0.667 189 V HN 0.755 nan 8.190 nan 0.000 0.457 190 T N -1.009 113.560 114.554 0.026 0.000 2.869 190 T HA -0.353 3.997 4.350 -0.000 0.000 0.270 190 T C 1.752 176.506 174.700 0.091 0.000 1.082 190 T CA 1.985 64.117 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 0.907 120.755 119.800 0.080 0.000 2.119 191 Q HA 0.023 4.363 4.340 -0.000 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 -0.342 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 0.409 120.366 119.914 0.072 0.000 3.052 192 V HA 0.245 4.365 4.120 -0.000 0.000 0.254 192 V C 1.067 177.208 176.094 0.078 0.000 1.100 192 V CA 0.368 62.703 62.300 0.057 0.000 1.112 192 V CB -1.027 30.810 31.823 0.024 0.000 0.738 192 V HN 0.405 nan 8.190 nan 0.000 0.469 193 A N 0.866 123.766 122.820 0.132 0.000 2.583 193 A HA 0.180 4.500 4.320 -0.000 0.000 0.231 193 A C 0.345 178.057 177.584 0.215 0.000 1.065 193 A CA 0.758 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 -0.749 119.563 120.200 0.188 0.000 2.458 194 E HA 0.533 4.883 4.350 -0.000 0.000 0.278 194 E C -1.794 174.590 176.600 -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 1.582 122.536 121.223 -0.448 0.000 2.732 195 L HA 0.301 4.641 4.340 -0.000 0.000 0.246 195 L C -0.192 176.511 176.870 -0.277 0.000 1.407 195 L CA -0.031 54.447 54.840 -0.603 0.000 0.861 195 L CB 0.269 41.877 42.059 -0.751 0.000 1.161 195 L HN 0.221 nan 8.230 nan 0.000 0.510 196 R N 1.604 122.020 120.500 -0.140 0.000 3.097 196 R HA 0.353 4.693 4.340 -0.000 0.000 0.212 196 R C 0.785 177.037 176.300 -0.080 0.000 1.651 196 R CA 0.387 56.441 56.100 -0.077 0.000 1.134 196 R CB -0.436 29.844 30.300 -0.033 0.000 1.241 196 R HN 0.622 nan 8.270 nan 0.000 0.640 197 G N 3.284 112.029 108.800 -0.092 0.000 2.546 197 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.285 197 G HA3 -0.280 3.680 3.960 -0.000 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 0.968 nan 8.290 nan 0.000 0.534 198 D N -1.645 118.694 120.400 -0.101 0.000 2.978 198 D HA -0.268 4.372 4.640 -0.000 0.000 0.226 198 D C 0.396 176.682 176.300 -0.023 0.000 1.189 198 D CA 2.107 56.059 54.000 -0.079 0.000 0.810 198 D CB -0.770 40.021 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 4.624 4.320 -0.000 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 0.379 32.912 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 4.553 4.660 -0.000 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 29.561 29.460 0.066 0.000 1.187 200 W HN 0.409 nan 8.180 nan 0.000 0.588 201 Y N 1.863 122.307 120.300 0.241 0.000 2.325 201 Y HA 0.421 4.971 4.550 -0.000 0.000 0.336 201 Y C -1.279 174.705 175.900 0.140 0.000 1.130 201 Y CA -1.474 56.714 58.100 0.146 0.000 1.264 201 Y CB 0.328 38.833 38.460 0.075 0.000 1.128 201 Y HN 0.119 nan 8.280 nan 0.000 0.469 202 V N 5.249 125.060 119.914 -0.172 0.000 2.385 202 V HA 0.210 4.330 4.120 -0.000 0.000 0.269 202 V C -0.435 175.402 176.094 -0.428 0.000 1.043 202 V CA -0.370 61.812 62.300 -0.198 0.000 0.906 202 V CB 1.308 33.096 31.823 -0.059 0.000 0.995 202 V HN 0.709 nan 8.190 nan 0.000 0.467 203 D N 4.055 124.215 120.400 -0.400 0.000 2.412 203 D HA 0.369 5.009 4.640 -0.000 0.000 0.224 203 D C 0.792 177.003 176.300 -0.147 0.000 1.093 203 D CA -0.502 53.292 54.000 -0.343 0.000 0.850 203 D CB 1.446 42.077 40.800 -0.281 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 4.202 4.340 -0.000 0.000 0.212 204 L C 1.722 178.571 176.870 -0.035 0.000 1.087 204 L CA 1.335 56.141 54.840 -0.057 0.000 0.757 204 L CB -0.505 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 -0.214 120.167 120.400 -0.031 0.000 2.271 205 D HA -0.198 4.442 4.640 -0.000 0.000 0.207 205 D C 1.290 177.587 176.300 -0.005 0.000 0.983 205 D CA 1.005 54.998 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 0.014 118.707 118.700 -0.010 0.000 2.501 206 N HA 0.062 4.802 4.740 -0.000 0.000 0.195 206 N C 0.011 175.527 175.510 0.009 0.000 1.213 206 N CA 0.071 53.124 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 4.307 4.170 -0.000 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 2.199 40.196 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 4.983 4.340 -0.000 0.000 0.256 208 Q C -1.593 174.409 176.000 0.003 0.000 0.951 208 Q CA -0.707 55.099 55.803 0.005 0.000 0.890 208 Q CB 2.175 30.919 28.738 0.010 0.000 1.279 208 Q HN 0.546 nan 8.270 nan 0.000 0.444 209 I N 3.750 124.320 120.570 0.001 0.000 2.439 209 I HA 0.249 4.419 4.170 -0.000 0.000 0.283 209 I C -0.719 175.398 176.117 -0.000 0.000 1.023 209 I CA -0.563 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 0.869 4.989 4.120 -0.000 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 1.797 33.620 31.823 -0.000 0.000 0.997 210 V HN 0.762 nan 8.190 nan 0.000 0.436 211 K N 2.338 122.735 120.400 -0.004 0.000 2.468 211 K HA 0.794 5.114 4.320 -0.000 0.000 0.252 211 K C -1.319 175.277 176.600 -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 0.493 nan 8.250 nan 0.000 0.428 212 K N 1.771 122.168 120.400 -0.005 0.000 2.553 212 K HA 0.413 4.733 4.320 -0.000 0.000 0.250 212 K C -0.564 176.032 176.600 -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 4.723 4.320 -0.000 0.000 0.248 213 A C 0.562 178.140 177.584 -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 1.002 nan 8.150 nan 0.000 0.522 214 G N -1.846 106.947 108.800 -0.012 0.000 2.931 214 G HA2 0.581 4.541 3.960 -0.000 0.000 0.675 214 G HA3 0.581 4.541 3.960 -0.000 0.000 0.675 214 G C 0.767 175.657 174.900 -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 1.055 109.845 108.800 -0.016 0.000 2.566 215 G HA2 0.242 4.202 3.960 -0.000 0.000 0.308 215 G HA3 0.242 4.202 3.960 -0.000 0.000 0.308 215 G C 1.092 175.971 174.900 -0.035 0.000 1.317 215 G CA 1.277 46.363 45.100 -0.023 0.000 0.930 215 G HN 2.489 nan 8.290 nan 0.000 0.547 216 S N -1.348 114.323 115.700 -0.048 0.000 2.694 216 S HA 0.618 5.088 4.470 -0.000 0.000 0.278 216 S C 1.673 176.211 174.600 -0.102 0.000 1.152 216 S CA -0.097 58.061 58.200 -0.069 0.000 1.010 216 S CB 1.226 64.382 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 4.086 4.170 -0.000 0.000 0.259 217 I C 1.336 177.246 176.117 -0.345 0.000 1.194 217 I CA 0.641 61.830 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 0.900 119.370 118.700 -0.384 0.000 2.453 218 N HA -0.133 4.607 4.740 -0.000 0.000 0.183 218 N C 0.824 176.121 175.510 -0.355 0.000 1.041 218 N CA 0.833 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 4.635 4.640 -0.000 0.000 0.234 219 D C 0.229 176.517 176.300 -0.021 0.000 1.122 219 D CA 0.365 54.337 54.000 -0.047 0.000 0.850 219 D CB -0.175 40.606 40.800 -0.032 0.000 0.921 219 D HN 0.307 nan 8.370 nan 0.000 0.513 220 T N -2.001 112.516 114.554 -0.062 0.000 2.907 220 T HA 0.551 4.901 4.350 -0.000 0.000 0.284 220 T C -0.182 174.591 174.700 0.121 0.000 1.004 220 T CA -0.742 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 0.997 120.846 119.800 0.080 0.000 2.534 221 Q HA 0.591 4.931 4.340 -0.000 0.000 0.290 221 Q C -1.747 174.243 176.000 -0.017 0.000 0.991 221 Q CA -1.175 54.663 55.803 0.060 0.000 0.783 221 Q CB 2.035 30.786 28.738 0.021 0.000 1.470 221 Q HN 0.904 nan 8.270 nan 0.000 0.406 222 L N -0.252 120.914 121.223 -0.095 0.000 2.309 222 L HA 0.841 5.181 4.340 -0.000 0.000 0.282 222 L C -1.106 175.574 176.870 -0.317 0.000 1.036 222 L CA -0.926 53.803 54.840 -0.185 0.000 0.806 222 L CB 1.556 43.474 42.059 -0.235 0.000 1.220 222 L HN 0.275 nan 8.230 nan 0.000 0.429 223 V N 3.405 123.166 119.914 -0.254 0.000 2.435 223 V HA 0.226 4.346 4.120 -0.000 0.000 0.290 223 V C -0.380 175.560 176.094 -0.256 0.000 1.030 223 V CA -0.311 61.846 62.300 -0.238 0.000 0.881 223 V CB 1.264 33.057 31.823 -0.050 0.000 0.983 223 V HN 0.630 nan 8.190 nan 0.000 0.445 224 Y N 3.576 123.876 120.300 0.000 0.000 3.103 224 Y HA 0.539 5.089 4.550 -0.000 0.000 0.389 224 Y C 1.121 177.037 175.900 0.027 0.000 1.082 224 Y CA 0.513 58.620 58.100 0.011 0.000 1.987 224 Y CB -0.102 38.358 38.460 -0.001 0.000 2.096 224 Y HN 0.850 nan 8.280 nan 0.000 0.423 225 G N -0.847 108.025 108.800 0.121 0.000 2.322 225 G HA2 0.270 4.230 3.960 -0.000 0.000 0.295 225 G HA3 0.270 4.230 3.960 -0.000 0.000 0.295 225 G C -1.441 173.516 174.900 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 0.152 120.774 120.570 0.087 0.000 2.754 226 I HA 0.372 4.542 4.170 -0.000 0.000 0.285 226 I C 0.362 176.538 176.117 0.099 0.000 1.166 226 I CA -0.363 60.980 61.300 0.072 0.000 1.417 226 I CB 0.975 39.003 38.000 0.047 0.000 1.382 226 I HN 0.178 nan 8.210 nan 0.000 0.588 227 V N 6.257 126.213 119.914 0.069 0.000 2.482 227 V HA 0.270 4.390 4.120 -0.000 0.000 0.295 227 V C -0.112 175.940 176.094 -0.069 0.000 1.026 227 V CA -0.718 61.601 62.300 0.032 0.000 0.856 227 V CB 1.997 33.892 31.823 0.121 0.000 1.001 227 V HN 0.424 nan 8.190 nan 0.000 0.424 228 V N 3.432 123.265 119.914 -0.135 0.000 2.348 228 V HA 0.241 4.361 4.120 -0.000 0.000 0.270 228 V C 0.220 176.218 176.094 -0.161 0.000 1.037 228 V CA -0.346 61.883 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 5.253 125.584 120.400 -0.115 0.000 2.470 229 D HA 0.305 4.945 4.640 -0.000 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 0.016 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 2.727 123.071 120.400 -0.093 0.000 2.577 230 K HA 0.056 4.376 4.320 -0.000 0.000 0.267 230 K C -1.089 175.470 176.600 -0.068 0.000 0.979 230 K CA -0.531 55.717 56.287 -0.064 0.000 0.942 230 K CB 1.171 33.642 32.500 -0.048 0.000 1.343 230 K HN 0.516 nan 8.250 nan 0.000 0.436 231 E N 2.128 122.296 120.200 -0.053 0.000 2.436 231 E HA 0.103 4.453 4.350 -0.000 0.000 0.262 231 E C 0.359 176.941 176.600 -0.030 0.000 1.063 231 E CA -0.364 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 0.353 nan 8.360 nan 0.000 0.444 232 V N 1.916 121.816 119.914 -0.024 0.000 3.332 232 V HA -0.066 4.054 4.120 -0.000 0.000 0.305 232 V C 1.238 177.339 176.094 0.011 0.000 1.114 232 V CA 0.080 62.378 62.300 -0.005 0.000 1.194 232 V CB 1.046 32.871 31.823 0.003 0.000 1.027 232 V HN 0.715 nan 8.190 nan 0.000 0.492 233 V N 0.793 120.728 119.914 0.035 0.000 2.407 233 V HA 0.066 4.186 4.120 -0.000 0.000 0.245 233 V C 0.885 177.050 176.094 0.117 0.000 1.041 233 V CA 1.998 64.334 62.300 0.059 0.000 1.040 233 V CB -0.517 31.339 31.823 0.055 0.000 0.671 233 V HN 1.147 nan 8.190 nan 0.000 0.455 234 H N -0.188 118.884 119.070 0.003 0.000 2.717 234 H HA 0.477 5.033 4.556 -0.000 0.000 0.366 234 H C -2.062 173.269 175.328 0.005 0.000 1.132 234 H CA -1.746 54.305 56.048 0.006 0.000 1.180 234 H CB 2.385 32.154 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 -0.378 108.218 108.800 -0.340 0.000 3.379 236 G HA2 0.274 4.234 3.960 -0.000 0.000 0.253 236 G HA3 0.274 4.234 3.960 -0.000 0.000 0.253 236 G C 0.402 175.379 174.900 0.128 0.000 1.262 236 G CA -0.188 44.932 45.100 0.033 0.000 0.959 236 G HN 0.220 nan 8.290 nan 0.000 0.524 237 M N -0.174 119.471 119.600 0.076 0.000 2.664 237 M HA 0.343 4.823 4.480 -0.000 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 2.269 34.923 32.600 0.090 0.000 1.717 237 M HN -0.259 nan 8.290 nan 0.000 0.470 238 P HA 0.054 nan 4.420 nan 0.000 0.261 238 P C -0.644 176.675 177.300 0.031 0.000 1.203 238 P CA 0.300 63.420 63.100 0.033 0.000 0.767 238 P CB 0.195 31.917 31.700 0.036 0.000 0.785 239 K N 2.837 123.253 120.400 0.026 0.000 2.520 239 K HA 0.123 4.443 4.320 -0.000 0.000 0.205 239 K C 0.458 177.081 176.600 0.039 0.000 1.035 239 K CA 0.075 56.379 56.287 0.028 0.000 1.188 239 K CB 0.258 32.771 32.500 0.021 0.000 0.894 239 K HN 0.331 nan 8.250 nan 0.000 0.497 240 R N 1.171 121.694 120.500 0.039 0.000 3.270 240 R HA 0.108 4.448 4.340 -0.000 0.000 0.299 240 R C -1.931 174.394 176.300 0.041 0.000 1.188 240 R CA -0.294 55.833 56.100 0.045 0.000 1.090 240 R CB 0.488 30.812 30.300 0.040 0.000 1.329 240 R HN -0.040 nan 8.270 nan 0.000 0.381 241 L N 2.659 123.909 121.223 0.045 0.000 2.317 241 L HA 0.507 4.847 4.340 -0.000 0.000 0.281 241 L C 0.128 177.024 176.870 0.043 0.000 1.024 241 L CA -0.724 54.141 54.840 0.043 0.000 0.810 241 L CB 1.614 43.700 42.059 0.046 0.000 1.240 241 L HN 0.635 nan 8.230 nan 0.000 0.427 242 E N 2.321 122.543 120.200 0.036 0.000 2.259 242 E HA 0.175 4.525 4.350 -0.000 0.000 0.281 242 E C 0.048 176.669 176.600 0.036 0.000 1.027 242 E CA 0.002 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 2.124 120.847 118.700 0.038 0.000 2.586 243 N HA -0.252 4.488 4.740 -0.000 0.000 0.282 243 N C -1.631 173.919 175.510 0.068 0.000 1.171 243 N CA 0.787 53.863 53.050 0.042 0.000 0.733 243 N CB -0.603 37.895 38.487 0.018 0.000 0.910 243 N HN 0.479 nan 8.380 nan 0.000 0.548 244 A N 3.079 125.951 122.820 0.087 0.000 2.271 244 A HA 0.647 4.967 4.320 -0.000 0.000 0.288 244 A C 0.177 177.855 177.584 0.156 0.000 1.094 244 A CA -0.388 51.709 52.037 0.099 0.000 0.828 244 A CB 0.752 19.799 19.000 0.078 0.000 1.091 244 A HN 0.512 nan 8.150 nan 0.000 0.493 245 K N 1.752 122.231 120.400 0.132 0.000 2.753 245 K HA 0.329 4.649 4.320 -0.000 0.000 0.185 245 K C -1.108 175.502 176.600 0.017 0.000 1.071 245 K CA -0.027 56.339 56.287 0.131 0.000 0.999 245 K CB 0.753 33.365 32.500 0.186 0.000 1.244 245 K HN 0.668 nan 8.250 nan 0.000 0.594 246 I N 1.781 122.347 120.570 -0.007 0.000 2.880 246 I HA -0.117 4.053 4.170 -0.000 0.000 0.296 246 I C 0.533 176.617 176.117 -0.054 0.000 1.220 246 I CA 0.438 61.724 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 7.772 130.571 122.820 -0.034 0.000 2.483 247 A HA 0.489 4.809 4.320 -0.000 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 19.329 19.000 -0.025 0.000 1.134 247 A HN 0.501 nan 8.150 nan 0.000 0.471 248 L N 4.238 125.440 121.223 -0.035 0.000 2.505 248 L HA 0.147 4.487 4.340 -0.000 0.000 0.279 248 L C -0.151 176.704 176.870 -0.025 0.000 1.211 248 L CA 0.490 55.314 54.840 -0.027 0.000 1.059 248 L CB -0.899 41.144 42.059 -0.027 0.000 1.340 248 L HN 0.472 nan 8.230 nan 0.000 0.447 249 I N 2.409 122.966 120.570 -0.022 0.000 2.291 249 I HA 0.132 4.302 4.170 -0.000 0.000 0.290 249 I C 0.444 176.550 176.117 -0.019 0.000 1.050 249 I CA -0.286 61.001 61.300 -0.021 0.000 1.245 249 I CB 1.203 39.189 38.000 -0.023 0.000 1.405 249 I HN 0.345 nan 8.210 nan 0.000 0.478 250 D N 7.002 127.391 120.400 -0.018 0.000 2.467 250 D HA 0.670 5.310 4.640 -0.000 0.000 0.220 250 D C -0.500 175.791 176.300 -0.015 0.000 1.103 250 D CA -0.007 53.984 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 1.950 124.760 122.820 -0.017 0.000 2.481 251 A HA 0.451 4.771 4.320 -0.000 0.000 0.295 251 A C -0.676 176.897 177.584 -0.019 0.000 0.986 251 A CA -0.594 51.433 52.037 -0.017 0.000 0.617 251 A CB -0.064 18.926 19.000 -0.018 0.000 1.364 251 A HN 0.467 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 4.865 4.470 -0.000 0.000 0.285 252 S C -0.160 174.424 174.600 -0.027 0.000 1.283 252 S CA 0.228 58.416 58.200 -0.020 0.000 1.072 252 S CB 0.709 63.899 63.200 -0.017 0.000 0.867 252 S HN 1.879 nan 8.310 nan 0.000 0.492 253 L N 2.702 123.908 121.223 -0.029 0.000 2.783 253 L HA 0.431 4.771 4.340 -0.000 0.000 0.265 253 L C -0.458 176.388 176.870 -0.041 0.000 1.398 253 L CA -0.069 54.748 54.840 -0.039 0.000 0.802 253 L CB -0.211 41.824 42.059 -0.039 0.000 1.126 253 L HN 0.954 nan 8.230 nan 0.000 0.529 254 E N -0.310 119.868 120.200 -0.037 0.000 2.408 254 E HA 0.497 4.847 4.350 -0.000 0.000 0.275 254 E C -0.532 176.046 176.600 -0.037 0.000 0.935 254 E CA -1.181 55.197 56.400 -0.036 0.000 0.775 254 E CB 2.111 31.795 29.700 -0.027 0.000 1.277 254 E HN 0.041 nan 8.360 nan 0.000 0.455 255 V N -0.266 119.624 119.914 -0.041 0.000 2.752 255 V HA -0.007 4.113 4.120 -0.000 0.000 0.306 255 V C 0.050 176.126 176.094 -0.030 0.000 1.099 255 V CA 0.167 62.442 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 3.926 124.113 120.200 -0.022 0.000 2.257 256 E HA 0.219 4.569 4.350 -0.000 0.000 0.278 256 E C 0.229 176.828 176.600 -0.000 0.000 1.049 256 E CA -0.040 56.355 56.400 -0.007 0.000 0.876 256 E CB 0.579 30.281 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 4.339 4.320 -0.000 0.000 0.280 257 K C -1.938 174.679 176.600 0.029 0.000 1.013 257 K CA -0.920 55.373 56.287 0.009 0.000 1.029 257 K CB 0.633 33.138 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 1.264 121.503 120.200 0.065 0.000 2.077 259 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 259 E C 1.654 178.274 176.600 0.033 0.000 0.989 259 E CA 1.406 57.837 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 0.551 121.790 121.223 0.026 0.000 2.046 260 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 260 L C 1.799 178.679 176.870 0.016 0.000 1.077 260 L CA 2.059 56.910 54.840 0.018 0.000 0.747 260 L CB -1.246 40.821 42.059 0.013 0.000 0.896 260 L HN -0.154 nan 8.230 nan 0.000 0.432 261 D N 0.818 121.231 120.400 0.022 0.000 2.117 261 D HA 0.142 4.782 4.640 -0.000 0.000 0.197 261 D C 1.011 177.319 176.300 0.012 0.000 0.987 261 D CA 1.656 55.667 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 -0.560 122.271 122.820 0.018 0.000 2.587 262 A HA 0.554 4.874 4.320 -0.000 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 2.186 21.177 19.000 -0.016 0.000 1.291 262 A HN -0.122 nan 8.150 nan 0.000 0.407 263 E N 0.341 120.540 120.200 -0.001 0.000 2.256 263 E HA 0.641 4.991 4.350 -0.000 0.000 0.268 263 E C -1.474 175.119 176.600 -0.013 0.000 0.877 263 E CA -0.357 56.045 56.400 0.004 0.000 0.757 263 E CB 2.133 31.834 29.700 0.003 0.000 1.183 263 E HN 0.769 nan 8.360 nan 0.000 0.418 264 I N 0.348 120.909 120.570 -0.014 0.000 3.149 264 I HA 0.585 4.755 4.170 -0.000 0.000 0.310 264 I C -1.263 174.839 176.117 -0.025 0.000 1.343 264 I CA -0.952 60.326 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 3.680 124.161 120.500 -0.032 0.000 2.730 265 R HA 0.806 5.146 4.340 -0.000 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 0.371 120.938 120.570 -0.006 0.000 2.828 266 I HA 0.196 4.366 4.170 -0.000 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 2.188 40.206 38.000 0.030 0.000 1.345 266 I HN 0.979 nan 8.210 nan 0.000 0.449 267 N N 3.048 121.751 118.700 0.005 0.000 2.784 267 N HA 0.146 4.886 4.740 -0.000 0.000 0.227 267 N C -0.288 175.229 175.510 0.012 0.000 1.109 267 N CA -0.016 53.037 53.050 0.006 0.000 1.184 267 N CB 0.038 38.525 38.487 -0.000 0.000 1.554 267 N HN 0.442 nan 8.380 nan 0.000 0.589 268 D N 1.156 121.563 120.400 0.012 0.000 2.340 268 D HA 0.294 4.934 4.640 -0.000 0.000 0.251 268 D C -1.520 174.794 176.300 0.024 0.000 1.080 268 D CA -1.619 52.390 54.000 0.015 0.000 0.971 268 D CB 1.864 42.670 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 64.060 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 -0.674 113.897 114.554 0.028 0.000 2.788 270 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 270 T C 2.073 176.795 174.700 0.037 0.000 1.044 270 T CA 1.685 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 -0.141 119.682 119.800 0.038 0.000 2.123 271 Q HA 0.021 4.361 4.340 -0.000 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 -0.073 119.596 119.600 0.115 0.000 2.180 272 M HA -0.218 4.262 4.480 -0.000 0.000 0.260 272 M C 1.968 178.356 176.300 0.148 0.000 1.071 272 M CA 1.704 57.099 55.300 0.159 0.000 1.096 272 M CB -1.608 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 4.152 4.340 -0.000 0.000 0.213 273 Q C 1.995 178.047 176.000 0.086 0.000 1.017 273 Q CA 1.850 57.690 55.803 0.062 0.000 0.874 273 Q CB -0.815 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 -0.350 120.106 120.400 0.092 0.000 2.442 274 K HA -0.134 4.186 4.320 -0.000 0.000 0.200 274 K C 1.899 178.608 176.600 0.181 0.000 1.045 274 K CA 0.636 56.983 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 0.574 120.526 119.950 0.003 0.000 2.123 275 F HA -0.082 4.444 4.527 -0.000 0.000 0.289 275 F C 1.683 177.484 175.800 0.002 0.000 1.099 275 F CA 0.560 58.561 58.000 0.002 0.000 1.234 275 F CB 0.151 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 0.151 121.314 121.223 -0.100 0.000 2.291 276 L HA -0.136 4.204 4.340 -0.000 0.000 0.214 276 L C 1.538 178.361 176.870 -0.077 0.000 1.120 276 L CA 0.506 55.208 54.840 -0.231 0.000 0.799 276 L CB -0.672 41.268 42.059 -0.198 0.000 0.925 276 L HN 0.173 nan 8.230 nan 0.000 0.446 277 D N 0.480 120.881 120.400 0.001 0.000 2.091 277 D HA -0.183 4.457 4.640 -0.000 0.000 0.199 277 D C 2.051 178.368 176.300 0.029 0.000 0.980 277 D CA 1.484 55.495 54.000 0.017 0.000 0.831 277 D CB -0.092 40.728 40.800 0.033 0.000 0.987 277 D HN 0.493 nan 8.370 nan 0.000 0.460 278 E N 0.948 121.183 120.200 0.057 0.000 2.150 278 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 278 E C 1.875 178.504 176.600 0.047 0.000 0.985 278 E CA 0.934 57.369 56.400 0.059 0.000 0.814 278 E CB -0.289 29.459 29.700 0.080 0.000 0.752 278 E HN 0.320 nan 8.360 nan 0.000 0.466 279 E N 1.203 121.428 120.200 0.043 0.000 2.204 279 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 279 E C 2.067 178.651 176.600 -0.028 0.000 0.989 279 E CA 1.125 57.529 56.400 0.005 0.000 0.824 279 E CB 0.069 29.722 29.700 -0.077 0.000 0.756 279 E HN 0.480 nan 8.360 nan 0.000 0.477 280 E N 0.172 120.355 120.200 -0.029 0.000 2.170 280 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 280 E C 1.488 178.085 176.600 -0.005 0.000 0.981 280 E CA 0.694 57.080 56.400 -0.022 0.000 0.830 280 E CB 0.023 29.716 29.700 -0.011 0.000 0.775 280 E HN 0.323 nan 8.360 nan 0.000 0.470 281 N N 0.337 119.043 118.700 0.011 0.000 2.512 281 N HA -0.094 4.646 4.740 -0.000 0.000 0.183 281 N C 1.711 177.215 175.510 -0.010 0.000 1.073 281 N CA -0.008 53.054 53.050 0.019 0.000 0.911 281 N CB 0.116 38.623 38.487 0.035 0.000 0.964 281 N HN 0.133 nan 8.380 nan 0.000 0.447 282 L N 1.090 122.305 121.223 -0.014 0.000 2.109 282 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 282 L C 1.733 178.572 176.870 -0.053 0.000 1.086 282 L CA 1.312 56.139 54.840 -0.021 0.000 0.760 282 L CB -0.192 41.863 42.059 -0.005 0.000 0.910 282 L HN 0.086 nan 8.230 nan 0.000 0.437 283 I N -0.459 120.066 120.570 -0.073 0.000 2.406 283 I HA -0.181 3.989 4.170 -0.000 0.000 0.249 283 I C 2.280 178.278 176.117 -0.200 0.000 1.122 283 I CA 1.037 62.270 61.300 -0.112 0.000 1.431 283 I CB -1.244 36.693 38.000 -0.104 0.000 1.087 283 I HN 0.302 nan 8.210 nan 0.000 0.424 284 K N 0.609 120.863 120.400 -0.243 0.000 2.209 284 K HA -0.227 4.093 4.320 -0.000 0.000 0.204 284 K C 1.935 178.362 176.600 -0.288 0.000 1.048 284 K CA 1.140 57.143 56.287 -0.474 0.000 0.940 284 K CB -0.010 32.342 32.500 -0.247 0.000 0.729 284 K HN 0.187 nan 8.250 nan 0.000 0.451 285 E N 2.079 122.193 120.200 -0.143 0.000 2.015 285 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 285 E C 1.525 178.070 176.600 -0.092 0.000 0.991 285 E CA 1.672 58.023 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 -0.099 120.242 120.400 -0.098 0.000 2.074 286 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 286 K C 2.199 178.737 176.600 -0.103 0.000 1.048 286 K CA 1.627 57.864 56.287 -0.084 0.000 0.926 286 K CB -0.349 32.104 32.500 -0.079 0.000 0.713 286 K HN 0.058 nan 8.250 nan 0.000 0.444 287 V N 2.230 122.040 119.914 -0.174 0.000 2.287 287 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 287 V C 1.818 177.845 176.094 -0.111 0.000 1.053 287 V CA 1.972 64.158 62.300 -0.190 0.000 1.027 287 V CB -0.440 31.139 31.823 -0.407 0.000 0.646 287 V HN 0.318 nan 8.190 nan 0.000 0.447 288 D N -0.309 120.029 120.400 -0.103 0.000 2.178 288 D HA -0.164 4.476 4.640 -0.000 0.000 0.202 288 D C 2.169 178.464 176.300 -0.008 0.000 0.974 288 D CA 1.126 55.119 54.000 -0.011 0.000 0.841 288 D CB -0.104 40.707 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 4.276 4.320 -0.000 0.000 0.202 289 K C 2.069 178.660 176.600 -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 32.640 32.500 -0.024 0.000 0.742 289 K HN 0.113 nan 8.250 nan 0.000 0.458 290 I N 0.298 120.856 120.570 -0.022 0.000 2.494 290 I HA -0.169 4.001 4.170 -0.000 0.000 0.250 290 I C 1.698 177.813 176.117 -0.003 0.000 1.112 290 I CA 0.520 61.810 61.300 -0.017 0.000 1.438 290 I CB 0.049 38.034 38.000 -0.026 0.000 1.111 290 I HN 0.084 nan 8.210 nan 0.000 0.431 291 L N 0.948 122.174 121.223 0.006 0.000 2.456 291 L HA -0.089 4.251 4.340 -0.000 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 -0.794 122.036 122.820 0.016 0.000 2.131 292 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 292 A C 2.390 179.985 177.584 0.018 0.000 1.158 292 A CA 2.173 54.220 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 -1.685 112.879 114.554 0.017 0.000 3.037 293 T HA 0.373 4.723 4.350 -0.000 0.000 0.251 293 T C 0.934 175.653 174.700 0.033 0.000 1.079 293 T CA 1.355 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 4.120 3.960 -0.000 0.000 0.274 294 G HA3 0.160 4.120 3.960 -0.000 0.000 0.274 294 G C -0.161 174.768 174.900 0.049 0.000 1.046 294 G CA -0.106 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 1.793 124.636 122.820 0.039 0.000 2.337 295 A HA 0.792 5.111 4.320 -0.000 0.000 0.329 295 A C 1.110 178.720 177.584 0.043 0.000 1.146 295 A CA -0.311 51.748 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 0.351 119.082 118.700 0.052 0.000 2.300 296 N HA -0.027 4.713 4.740 -0.000 0.000 0.179 296 N C 0.210 175.745 175.510 0.042 0.000 1.016 296 N CA 1.212 54.292 53.050 0.050 0.000 0.876 296 N CB 0.343 38.865 38.487 0.058 0.000 0.979 296 N HN 0.445 nan 8.380 nan 0.000 0.432 297 V N 0.549 120.484 119.914 0.036 0.000 3.007 297 V HA 0.599 4.719 4.120 -0.000 0.000 0.311 297 V C -1.656 174.447 176.094 0.015 0.000 1.120 297 V CA -0.920 61.396 62.300 0.028 0.000 0.980 297 V CB 2.876 34.717 31.823 0.029 0.000 1.033 297 V HN 0.007 nan 8.190 nan 0.000 0.429 298 I N 7.256 127.833 120.570 0.012 0.000 2.571 298 I HA 0.547 4.717 4.170 -0.000 0.000 0.286 298 I C -1.606 174.510 176.117 -0.002 0.000 1.134 298 I CA -0.626 60.674 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 0.731 4.901 4.170 -0.000 0.000 0.295 299 I C -0.463 175.645 176.117 -0.014 0.000 1.049 299 I CA -0.553 60.741 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 3.769 123.060 119.300 -0.014 0.000 3.259 300 C HA 0.736 5.196 4.460 -0.000 0.000 0.328 300 C C 0.106 175.087 174.990 -0.015 0.000 1.425 300 C CA -0.481 58.528 59.018 -0.015 0.000 1.465 300 C CB 1.615 29.345 27.740 -0.017 0.000 1.890 300 C HN 0.961 nan 8.230 nan 0.000 0.450 301 Q N 0.630 120.421 119.800 -0.014 0.000 2.354 301 Q HA 0.627 4.967 4.340 -0.000 0.000 0.372 301 Q C -0.550 175.442 176.000 -0.013 0.000 0.923 301 Q CA -0.220 55.575 55.803 -0.013 0.000 1.123 301 Q CB 0.279 29.010 28.738 -0.012 0.000 1.298 301 Q HN 0.617 nan 8.270 nan 0.000 0.419 302 K N -0.223 120.169 120.400 -0.013 0.000 2.533 302 K HA 0.574 4.894 4.320 -0.000 0.000 0.284 302 K C -0.932 175.660 176.600 -0.013 0.000 1.025 302 K CA -0.444 55.835 56.287 -0.013 0.000 0.900 302 K CB 1.515 34.007 32.500 -0.014 0.000 1.519 302 K HN 0.263 nan 8.250 nan 0.000 0.432 303 G N 1.727 110.520 108.800 -0.012 0.000 2.358 303 G HA2 0.393 4.353 3.960 -0.000 0.000 0.273 303 G HA3 0.393 4.353 3.960 -0.000 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 2.114 122.676 120.570 -0.013 0.000 2.342 304 I HA 0.077 4.247 4.170 -0.000 0.000 0.291 304 I C 0.351 176.457 176.117 -0.018 0.000 1.010 304 I CA -0.690 60.600 61.300 -0.017 0.000 1.308 304 I CB 1.425 39.417 38.000 -0.013 0.000 1.400 304 I HN 0.430 nan 8.210 nan 0.000 0.488 305 D N 5.264 125.648 120.400 -0.026 0.000 2.478 305 D HA -0.111 4.529 4.640 -0.000 0.000 0.234 305 D C 1.441 177.725 176.300 -0.026 0.000 1.154 305 D CA 0.215 54.198 54.000 -0.028 0.000 0.874 305 D CB 0.944 41.722 40.800 -0.038 0.000 1.198 305 D HN 0.585 nan 8.370 nan 0.000 0.455 306 E N 2.529 122.715 120.200 -0.023 0.000 2.274 306 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 306 E C 1.650 178.222 176.600 -0.046 0.000 0.996 306 E CA 0.648 57.033 56.400 -0.025 0.000 0.840 306 E CB -0.248 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 1.650 121.542 119.914 -0.037 0.000 2.649 307 V HA -0.013 4.107 4.120 -0.000 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 -0.520 31.289 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 4.154 4.320 -0.000 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 -0.763 119.009 119.800 -0.046 0.000 2.062 309 Q HA -0.055 4.285 4.340 -0.000 0.000 0.196 309 Q C 2.258 178.145 176.000 -0.189 0.000 0.967 309 Q CA 1.458 57.204 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 0.158 115.722 115.700 -0.227 0.000 2.419 310 S HA -0.162 4.308 4.470 -0.000 0.000 0.233 310 S C 1.516 176.078 174.600 -0.063 0.000 1.016 310 S CA 0.947 59.011 58.200 -0.227 0.000 0.974 310 S CB -0.243 62.868 63.200 -0.148 0.000 0.786 310 S HN 0.383 nan 8.310 nan 0.000 0.492 311 Y N 1.836 122.073 120.300 -0.106 0.000 2.206 311 Y HA 0.084 4.634 4.550 -0.000 0.000 0.292 311 Y C 1.801 177.674 175.900 -0.045 0.000 1.123 311 Y CA 1.070 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 0.132 nan 8.280 nan 0.000 0.518 312 L N -0.507 120.875 121.223 0.264 0.000 2.141 312 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 312 L C 2.665 179.589 176.870 0.090 0.000 1.094 312 L CA 0.988 55.934 54.840 0.176 0.000 0.763 312 L CB -0.823 41.295 42.059 0.098 0.000 0.908 312 L HN 0.296 nan 8.230 nan 0.000 0.437 313 A N 0.027 122.874 122.820 0.045 0.000 1.898 313 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 313 A C 2.378 179.981 177.584 0.031 0.000 1.181 313 A CA 1.712 53.786 52.037 0.062 0.000 0.620 313 A CB -0.346 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 4.254 4.320 -0.000 0.000 0.201 314 K C 1.540 178.100 176.600 -0.067 0.000 1.048 314 K CA 0.879 57.126 56.287 -0.068 0.000 0.956 314 K CB 0.047 32.457 32.500 -0.150 0.000 0.746 314 K HN 0.127 nan 8.250 nan 0.000 0.461 315 K N -0.605 119.770 120.400 -0.041 0.000 2.305 315 K HA 0.028 4.348 4.320 -0.000 0.000 0.199 315 K C 0.812 177.426 176.600 0.024 0.000 1.047 315 K CA 1.005 57.289 56.287 -0.004 0.000 0.976 315 K CB 0.433 32.979 32.500 0.076 0.000 0.765 315 K HN 0.386 nan 8.250 nan 0.000 0.474 316 G N 1.261 110.081 108.800 0.033 0.000 2.203 316 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.231 316 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.231 316 G C -0.122 174.806 174.900 0.047 0.000 1.058 316 G CA 0.124 45.246 45.100 0.038 0.000 0.781 316 G HN 0.060 nan 8.290 nan 0.000 0.496 317 V N 0.096 120.044 119.914 0.057 0.000 2.713 317 V HA 0.782 4.902 4.120 -0.000 0.000 0.307 317 V C 0.346 176.472 176.094 0.054 0.000 1.052 317 V CA -1.021 61.313 62.300 0.055 0.000 0.967 317 V CB 1.926 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 3.568 124.818 121.223 0.045 0.000 2.294 318 L HA 0.843 5.183 4.340 -0.000 0.000 0.283 318 L C 0.017 176.906 176.870 0.032 0.000 1.015 318 L CA -0.060 54.804 54.840 0.041 0.000 0.831 318 L CB 0.492 42.573 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 5.214 4.320 -0.000 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 1.786 20.801 19.000 0.024 0.000 1.287 319 A HN 0.463 nan 8.150 nan 0.000 0.436 320 V N 2.775 122.691 119.914 0.004 0.000 2.604 320 V HA 0.416 4.536 4.120 -0.000 0.000 0.305 320 V C 0.735 176.825 176.094 -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 33.318 31.823 -0.016 0.000 0.995 320 V HN 1.039 nan 8.190 nan 0.000 0.429 321 R N 1.940 122.436 120.500 -0.006 0.000 2.951 321 R HA 0.225 4.565 4.340 -0.000 0.000 0.141 321 R C 0.341 176.634 176.300 -0.012 0.000 0.691 321 R CA -0.253 55.843 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 -0.132 120.361 120.500 -0.012 0.000 2.623 322 R HA 0.244 4.584 4.340 -0.000 0.000 0.271 322 R C -0.396 175.894 176.300 -0.016 0.000 1.043 322 R CA 0.327 56.419 56.100 -0.013 0.000 1.083 322 R CB 0.335 30.628 30.300 -0.012 0.000 0.974 322 R HN 0.541 nan 8.270 nan 0.000 0.436 323 A N 2.583 125.393 122.820 -0.017 0.000 2.480 323 A HA 0.220 4.540 4.320 -0.000 0.000 0.289 323 A C -0.845 176.729 177.584 -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 4.235 4.320 -0.000 0.000 0.275 324 K C 1.191 177.785 176.600 -0.011 0.000 1.054 324 K CA 0.374 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 4.132 4.320 -0.000 0.000 0.205 325 K C 1.440 178.036 176.600 -0.006 0.000 1.046 325 K CA 1.645 57.927 56.287 -0.007 0.000 0.933 325 K CB 0.124 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 1.394 117.090 115.700 -0.005 0.000 2.407 326 S HA -0.192 4.278 4.470 -0.000 0.000 0.235 326 S C 1.200 175.798 174.600 -0.004 0.000 1.036 326 S CA 1.916 60.114 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 0.415 120.811 120.400 -0.006 0.000 2.388 327 D HA 0.104 4.744 4.640 -0.000 0.000 0.208 327 D C 1.667 177.965 176.300 -0.005 0.000 1.035 327 D CA 0.059 54.056 54.000 -0.006 0.000 0.875 327 D CB -0.712 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 0.524 121.743 121.223 -0.007 0.000 2.046 328 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 328 L C 2.380 179.247 176.870 -0.004 0.000 1.077 328 L CA 1.602 56.438 54.840 -0.007 0.000 0.747 328 L CB -0.372 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 4.103 4.350 -0.000 0.000 0.193 329 E C 2.145 178.748 176.600 0.005 0.000 0.994 329 E CA 1.161 57.562 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 4.187 4.320 -0.000 0.000 0.204 330 K C 2.136 178.744 176.600 0.013 0.000 1.047 330 K CA 0.747 57.040 56.287 0.010 0.000 0.935 330 K CB -0.072 32.433 32.500 0.009 0.000 0.728 330 K HN 0.149 nan 8.250 nan 0.000 0.452 331 L N -0.354 120.874 121.223 0.009 0.000 2.416 331 L HA 0.044 4.384 4.340 -0.000 0.000 0.216 331 L C 2.063 178.936 176.870 0.006 0.000 1.098 331 L CA 0.347 55.193 54.840 0.011 0.000 0.840 331 L CB -0.077 41.986 42.059 0.006 0.000 0.981 331 L HN 0.077 nan 8.230 nan 0.000 0.462 332 A N 1.642 124.463 122.820 0.001 0.000 1.824 332 A HA -0.237 4.083 4.320 -0.000 0.000 0.215 332 A C 2.129 179.713 177.584 -0.000 0.000 1.209 332 A CA 1.825 53.859 52.037 -0.005 0.000 0.614 332 A CB -0.651 18.346 19.000 -0.005 0.000 0.852 332 A HN 0.587 nan 8.150 nan 0.000 0.447 333 R N -0.201 120.304 120.500 0.008 0.000 2.346 333 R HA 0.345 4.685 4.340 -0.000 0.000 0.199 333 R C 1.408 177.721 176.300 0.023 0.000 1.015 333 R CA 0.955 57.065 56.100 0.015 0.000 1.058 333 R CB -0.299 30.013 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 0.024 0.000 2.044 334 A HA -0.007 4.313 4.320 -0.000 0.000 0.213 334 A C 1.781 179.388 177.584 0.040 0.000 1.169 334 A CA 0.869 52.926 52.037 0.034 0.000 0.724 334 A CB 0.152 19.174 19.000 0.036 0.000 0.840 334 A HN 0.466 nan 8.150 nan 0.000 0.463 335 T N -4.606 109.965 114.554 0.028 0.000 3.132 335 T HA 0.436 4.786 4.350 -0.000 0.000 0.274 335 T C 0.950 175.657 174.700 0.013 0.000 1.011 335 T CA 0.734 62.853 62.100 0.032 0.000 0.899 335 T CB -0.109 68.771 68.868 0.020 0.000 1.089 335 T HN 1.615 nan 8.240 nan 0.000 0.543 336 G N 0.294 109.101 108.800 0.010 0.000 2.367 336 G HA2 0.209 4.169 3.960 -0.000 0.000 0.295 336 G HA3 0.209 4.169 3.960 -0.000 0.000 0.295 336 G C 0.254 175.119 174.900 -0.057 0.000 1.019 336 G CA -0.143 44.956 45.100 -0.001 0.000 1.224 336 G HN 1.158 nan 8.290 nan 0.000 0.510 337 G N -0.922 107.843 108.800 -0.058 0.000 2.766 337 G HA2 0.813 4.773 3.960 -0.000 0.000 0.288 337 G HA3 0.813 4.773 3.960 -0.000 0.000 0.288 337 G C -0.590 174.279 174.900 -0.052 0.000 1.408 337 G CA -0.469 44.579 45.100 -0.087 0.000 0.852 337 G HN 0.623 nan 8.290 nan 0.000 0.487 338 R N -0.737 119.732 120.500 -0.053 0.000 2.787 338 R HA 0.603 4.943 4.340 -0.000 0.000 0.271 338 R C -1.139 175.142 176.300 -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 4.375 124.276 119.914 -0.022 0.000 2.299 339 V HA 0.100 4.220 4.120 -0.000 0.000 0.255 339 V C 0.059 176.142 176.094 -0.018 0.000 1.100 339 V CA -0.568 61.721 62.300 -0.019 0.000 0.938 339 V CB 0.874 32.689 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 4.017 4.120 -0.000 0.000 0.294 340 V C 1.629 177.713 176.094 -0.016 0.000 0.994 340 V CA 1.290 63.578 62.300 -0.020 0.000 1.169 340 V CB 0.325 32.134 31.823 -0.023 0.000 0.898 340 V HN 0.987 nan 8.190 nan 0.000 0.471 341 S N 3.854 119.545 115.700 -0.014 0.000 2.329 341 S HA -0.057 4.413 4.470 -0.000 0.000 0.215 341 S C 1.060 175.653 174.600 -0.012 0.000 1.031 341 S CA 0.850 59.044 58.200 -0.012 0.000 0.985 341 S CB -0.027 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 1.049 119.742 118.700 -0.012 0.000 2.443 342 N HA 0.205 4.945 4.740 -0.000 0.000 0.269 342 N C 1.103 176.604 175.510 -0.014 0.000 0.985 342 N CA -0.216 52.826 53.050 -0.012 0.000 0.921 342 N CB 1.193 39.674 38.487 -0.010 0.000 1.195 342 N HN 0.501 nan 8.380 nan 0.000 0.492 343 I N 0.238 120.798 120.570 -0.017 0.000 2.399 343 I HA -0.196 3.974 4.170 -0.000 0.000 0.254 343 I C 0.234 176.341 176.117 -0.017 0.000 1.146 343 I CA 1.370 62.658 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 1.077 121.468 120.400 -0.014 0.000 2.338 344 D HA -0.024 4.616 4.640 -0.000 0.000 0.239 344 D C 1.392 177.687 176.300 -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 -0.347 119.847 120.200 -0.010 0.000 2.641 345 E HA 0.158 4.508 4.350 -0.000 0.000 0.224 345 E C 0.619 177.214 176.600 -0.009 0.000 0.951 345 E CA -0.296 56.099 56.400 -0.008 0.000 1.102 345 E CB 0.956 30.652 29.700 -0.008 0.000 1.091 345 E HN 0.317 nan 8.360 nan 0.000 0.507 346 I N 1.958 122.521 120.570 -0.012 0.000 2.880 346 I HA -0.113 4.057 4.170 -0.000 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 -0.164 nan 8.210 nan 0.000 0.583 347 S N 3.795 119.488 115.700 -0.013 0.000 2.638 347 S HA 0.262 4.732 4.470 -0.000 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 -0.076 4.274 4.350 -0.000 0.000 0.200 348 E C 1.218 177.829 176.600 0.018 0.000 1.147 348 E CA 0.399 56.811 56.400 0.020 0.000 0.912 348 E CB -0.310 29.410 29.700 0.034 0.000 0.938 348 E HN 0.627 nan 8.360 nan 0.000 0.519 349 Q N -2.166 117.626 119.800 -0.013 0.000 2.237 349 Q HA 0.081 4.421 4.340 -0.000 0.000 0.254 349 Q C 0.454 176.404 176.000 -0.084 0.000 0.771 349 Q CA -0.138 55.644 55.803 -0.035 0.000 0.958 349 Q CB -0.048 28.688 28.738 -0.002 0.000 1.202 349 Q HN -0.051 nan 8.270 nan 0.000 0.492 350 D N 2.672 123.035 120.400 -0.062 0.000 2.393 350 D HA -0.037 4.603 4.640 -0.000 0.000 0.220 350 D C 0.654 176.892 176.300 -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 -1.684 119.446 121.223 -0.155 0.000 2.289 351 L HA 0.689 5.029 4.340 -0.000 0.000 0.285 351 L C 0.590 177.229 176.870 -0.386 0.000 1.049 351 L CA -1.015 53.700 54.840 -0.208 0.000 0.804 351 L CB 1.562 43.515 42.059 -0.177 0.000 1.195 351 L HN -0.227 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 4.392 3.960 -0.000 0.000 0.269 352 G HA3 0.432 4.392 3.960 -0.000 0.000 0.269 352 G C -1.162 173.535 174.900 -0.339 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 -0.339 119.973 120.300 0.018 0.000 2.453 353 Y HA 0.681 5.231 4.550 -0.000 0.000 0.326 353 Y C 0.737 176.651 175.900 0.024 0.000 1.186 353 Y CA -0.147 57.965 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 -0.031 122.918 122.820 0.216 0.000 2.583 354 A HA 0.734 5.054 4.320 -0.000 0.000 0.299 354 A C -0.063 177.581 177.584 0.101 0.000 1.258 354 A CA -0.131 51.983 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 4.914 4.470 -0.000 0.000 0.245 355 S C -0.311 174.320 174.600 0.052 0.000 1.083 355 S CA 0.406 58.639 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 0.740 nan 8.310 nan 0.000 0.476 356 L N 1.610 122.870 121.223 0.063 0.000 2.588 356 L HA 0.553 4.893 4.340 -0.000 0.000 0.263 356 L C -2.164 174.755 176.870 0.082 0.000 0.935 356 L CA -0.494 54.384 54.840 0.062 0.000 0.891 356 L CB 1.496 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 4.751 4.170 -0.000 0.000 0.301 357 I C -0.362 175.820 176.117 0.107 0.000 1.003 357 I CA -0.618 60.741 61.300 0.097 0.000 1.127 357 I CB 1.944 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 3.046 123.339 120.200 0.155 0.000 2.458 358 E HA 0.332 4.682 4.350 -0.000 0.000 0.278 358 E C -1.316 175.388 176.600 0.174 0.000 1.004 358 E CA -0.519 55.985 56.400 0.172 0.000 0.823 358 E CB 2.607 32.436 29.700 0.215 0.000 1.396 358 E HN 0.596 nan 8.360 nan 0.000 0.463 359 E N 1.442 121.735 120.200 0.156 0.000 4.090 359 E HA 0.184 4.534 4.350 -0.000 0.000 0.235 359 E C -0.910 175.762 176.600 0.121 0.000 1.187 359 E CA -0.080 56.367 56.400 0.079 0.000 1.308 359 E CB 0.446 30.158 29.700 0.020 0.000 1.222 359 E HN 0.225 nan 8.360 nan 0.000 0.414 360 R N 1.230 121.891 120.500 0.269 0.000 2.537 360 R HA 0.071 4.411 4.340 -0.000 0.000 0.280 360 R C 0.185 176.580 176.300 0.159 0.000 1.058 360 R CA -0.017 56.213 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 0.098 4.418 4.320 -0.000 0.000 0.280 361 K C -0.296 176.343 176.600 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 1.256 121.236 119.914 0.109 0.000 2.557 362 V HA 0.167 4.287 4.120 -0.000 0.000 0.301 362 V C 1.659 177.790 176.094 0.062 0.000 1.026 362 V CA 1.219 63.580 62.300 0.101 0.000 1.137 362 V CB -0.261 31.665 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 3.643 3.960 -0.000 0.000 0.300 363 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.300 363 G C 0.782 175.692 174.900 0.016 0.000 1.488 363 G CA 0.829 45.943 45.100 0.024 0.000 1.052 363 G HN 0.746 nan 8.290 nan 0.000 0.687 364 E N -0.426 119.780 120.200 0.012 0.000 3.203 364 E HA 0.149 4.499 4.350 -0.000 0.000 0.200 364 E C -0.041 176.561 176.600 0.003 0.000 1.089 364 E CA 0.275 56.678 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 4.826 4.640 -0.000 0.000 0.251 365 D C -0.352 175.941 176.300 -0.011 0.000 1.252 365 D CA 0.173 54.167 54.000 -0.010 0.000 0.999 365 D CB 0.826 41.615 40.800 -0.019 0.000 1.093 365 D HN 0.020 nan 8.370 nan 0.000 0.515 366 K N 0.295 120.680 120.400 -0.025 0.000 2.221 366 K HA 0.517 4.837 4.320 -0.000 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 1.880 34.367 32.500 -0.022 0.000 1.113 366 K HN 0.254 nan 8.250 nan 0.000 0.431 367 M N 1.749 121.255 119.600 -0.157 0.000 2.602 367 M HA 0.373 4.853 4.480 -0.000 0.000 0.312 367 M C -0.628 175.381 176.300 -0.484 0.000 1.181 367 M CA -1.277 53.831 55.300 -0.319 0.000 0.910 367 M CB 2.324 34.668 32.600 -0.426 0.000 1.723 367 M HN 0.171 nan 8.290 nan 0.000 0.459 368 V N 1.933 121.579 119.914 -0.447 0.000 2.509 368 V HA 0.448 4.568 4.120 -0.000 0.000 0.284 368 V C -0.846 174.934 176.094 -0.523 0.000 1.047 368 V CA -0.245 61.844 62.300 -0.350 0.000 0.952 368 V CB 0.828 32.555 31.823 -0.160 0.000 0.988 368 V HN 0.528 nan 8.190 nan 0.000 0.469 369 F N 2.643 122.600 119.950 0.013 0.000 2.538 369 F HA 0.667 5.194 4.527 -0.000 0.000 0.325 369 F C 0.204 176.017 175.800 0.022 0.000 1.066 369 F CA -0.895 57.114 58.000 0.015 0.000 0.946 369 F CB 2.140 41.150 39.000 0.016 0.000 1.199 369 F HN 0.115 nan 8.300 nan 0.000 0.473 370 V N 1.674 121.726 119.914 0.230 0.000 2.468 370 V HA 0.193 4.313 4.120 -0.000 0.000 0.256 370 V C -0.350 175.826 176.094 0.138 0.000 0.998 370 V CA -0.756 61.629 62.300 0.142 0.000 1.114 370 V CB -0.061 31.817 31.823 0.092 0.000 1.378 370 V HN 0.712 nan 8.190 nan 0.000 0.573 371 E N 1.332 121.617 120.200 0.142 0.000 2.390 371 E HA 0.451 4.801 4.350 -0.000 0.000 0.261 371 E C 1.199 177.856 176.600 0.094 0.000 1.076 371 E CA 0.280 56.748 56.400 0.113 0.000 0.905 371 E CB 0.747 30.495 29.700 0.080 0.000 0.984 371 E HN 0.700 nan 8.360 nan 0.000 0.427 372 G N 1.129 109.986 108.800 0.096 0.000 2.295 372 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.287 372 G HA3 -0.232 3.728 3.960 -0.000 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 -0.470 122.399 122.820 0.082 0.000 2.339 373 A HA 0.594 4.914 4.320 -0.000 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 19.250 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 4.265 4.320 -0.000 0.000 0.204 374 K C 0.598 177.240 176.600 0.071 0.000 1.052 374 K CA 1.133 57.479 56.287 0.098 0.000 0.945 374 K CB 0.004 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 0.802 119.540 118.700 0.064 0.000 2.414 375 N HA 0.079 4.819 4.740 -0.000 0.000 0.256 375 N C -1.968 173.573 175.510 0.053 0.000 1.029 375 N CA -1.709 51.373 53.050 0.053 0.000 0.948 375 N CB 1.371 39.887 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 -0.209 177.127 177.300 0.059 0.000 1.191 376 P CA 1.312 64.437 63.100 0.042 0.000 0.917 376 P CB -0.132 31.581 31.700 0.022 0.000 0.778 377 K N 0.912 121.343 120.400 0.053 0.000 1.985 377 K HA 0.254 4.574 4.320 -0.000 0.000 0.234 377 K C -0.171 176.466 176.600 0.060 0.000 1.140 377 K CA 0.138 56.462 56.287 0.061 0.000 1.141 377 K CB -0.693 31.837 32.500 0.051 0.000 1.165 377 K HN -0.092 nan 8.250 nan 0.000 0.301 378 S N 3.722 119.468 115.700 0.076 0.000 2.277 378 S HA 0.301 4.771 4.470 -0.000 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 -0.047 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 0.422 121.030 120.570 0.064 0.000 3.145 379 I HA 0.949 5.119 4.170 -0.000 0.000 0.313 379 I C -0.450 175.671 176.117 0.008 0.000 1.122 379 I CA -0.792 60.532 61.300 0.041 0.000 0.987 379 I CB 2.286 40.297 38.000 0.018 0.000 1.236 379 I HN 0.347 nan 8.210 nan 0.000 0.453 380 S N 1.950 117.641 115.700 -0.016 0.000 2.632 380 S HA 0.723 5.193 4.470 -0.000 0.000 0.289 380 S C -0.680 173.902 174.600 -0.031 0.000 1.115 380 S CA -0.641 57.554 58.200 -0.007 0.000 0.889 380 S CB 1.996 65.210 63.200 0.024 0.000 1.116 380 S HN 0.513 nan 8.310 nan 0.000 0.486 381 I N 1.749 122.311 120.570 -0.013 0.000 2.530 381 I HA 0.471 4.641 4.170 -0.000 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 1.757 39.748 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 4.897 4.340 -0.000 0.000 0.280 382 L C -0.882 176.000 176.870 0.019 0.000 1.006 382 L CA -0.182 54.680 54.840 0.036 0.000 0.836 382 L CB 0.922 43.026 42.059 0.075 0.000 1.221 382 L HN 0.324 nan 8.230 nan 0.000 0.418 383 I N 5.159 125.733 120.570 0.006 0.000 2.440 383 I HA 0.465 4.635 4.170 -0.000 0.000 0.294 383 I C 0.344 176.453 176.117 -0.013 0.000 0.995 383 I CA 0.101 61.394 61.300 -0.010 0.000 1.306 383 I CB 1.107 39.098 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 4.564 4.340 -0.000 0.000 0.252 384 R C 0.986 177.259 176.300 -0.045 0.000 1.628 384 R CA -0.225 55.858 56.100 -0.029 0.000 1.622 384 R CB 0.948 31.236 30.300 -0.021 0.000 1.418 384 R HN 0.923 nan 8.270 nan 0.000 0.697 385 G N 0.150 108.924 108.800 -0.042 0.000 2.462 385 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.220 385 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.220 385 G C 1.038 175.913 174.900 -0.041 0.000 1.121 385 G CA 1.322 46.394 45.100 -0.047 0.000 0.758 385 G HN 0.700 nan 8.290 nan 0.000 0.559 386 G N -0.782 107.999 108.800 -0.032 0.000 3.597 386 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.202 386 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.202 386 G C 0.173 175.061 174.900 -0.021 0.000 1.702 386 G CA 0.084 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 2.982 124.193 121.223 -0.021 0.000 2.418 387 L HA 0.580 4.920 4.340 -0.000 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 2.742 122.934 120.200 -0.013 0.000 2.273 388 E HA -0.262 4.088 4.350 -0.000 0.000 0.198 388 E C 1.456 178.049 176.600 -0.012 0.000 1.002 388 E CA 1.554 57.946 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 0.549 121.041 120.500 -0.013 0.000 2.191 389 R HA 0.152 4.492 4.340 -0.000 0.000 0.196 389 R C 2.422 178.713 176.300 -0.015 0.000 0.991 389 R CA 0.138 56.230 56.100 -0.013 0.000 1.075 389 R CB -0.052 30.241 30.300 -0.011 0.000 1.040 389 R HN 0.306 nan 8.270 nan 0.000 0.526 390 L N 1.303 122.516 121.223 -0.017 0.000 2.079 390 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 390 L C 2.221 179.077 176.870 -0.023 0.000 1.081 390 L CA 1.361 56.188 54.840 -0.021 0.000 0.752 390 L CB -0.265 41.780 42.059 -0.024 0.000 0.896 390 L HN 0.155 nan 8.230 nan 0.000 0.433 391 V N 0.072 119.973 119.914 -0.022 0.000 2.343 391 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 391 V C 2.094 178.177 176.094 -0.019 0.000 1.051 391 V CA 2.386 64.673 62.300 -0.023 0.000 1.036 391 V CB -0.444 31.367 31.823 -0.020 0.000 0.654 391 V HN 0.550 nan 8.190 nan 0.000 0.451 392 D N -0.124 120.267 120.400 -0.016 0.000 2.104 392 D HA -0.218 4.422 4.640 -0.000 0.000 0.194 392 D C 2.064 178.355 176.300 -0.014 0.000 0.994 392 D CA 2.002 55.994 54.000 -0.014 0.000 0.830 392 D CB -0.117 40.676 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 4.311 4.350 -0.000 0.000 0.197 393 E C 1.840 178.429 176.600 -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 0.276 114.817 114.554 -0.021 0.000 2.904 394 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 394 T C 1.721 176.409 174.700 -0.021 0.000 1.059 394 T CA 1.144 63.229 62.100 -0.025 0.000 1.137 394 T CB -0.036 68.812 68.868 -0.032 0.000 0.879 394 T HN 0.287 nan 8.240 nan 0.000 0.467 395 E N 0.774 120.963 120.200 -0.017 0.000 2.152 395 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 395 E C 2.319 178.912 176.600 -0.013 0.000 0.983 395 E CA 0.734 57.126 56.400 -0.014 0.000 0.818 395 E CB 0.068 29.761 29.700 -0.012 0.000 0.758 395 E HN 0.220 nan 8.360 nan 0.000 0.467 396 R N 0.381 120.873 120.500 -0.013 0.000 2.061 396 R HA -0.044 4.295 4.340 -0.000 0.000 0.230 396 R C 2.327 178.618 176.300 -0.015 0.000 1.140 396 R CA 1.694 57.787 56.100 -0.012 0.000 0.940 396 R CB -0.600 29.693 30.300 -0.011 0.000 0.839 396 R HN 0.250 nan 8.270 nan 0.000 0.429 397 A N 0.474 123.284 122.820 -0.017 0.000 1.917 397 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 397 A C 2.029 179.600 177.584 -0.020 0.000 1.182 397 A CA 1.609 53.633 52.037 -0.020 0.000 0.633 397 A CB -0.749 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 -0.579 120.633 121.223 -0.018 0.000 2.093 398 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 398 L C 2.530 179.390 176.870 -0.017 0.000 1.085 398 L CA 1.562 56.392 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 0.273 nan 8.230 nan 0.000 0.435 399 R N -0.134 120.356 120.500 -0.015 0.000 2.070 399 R HA -0.143 4.197 4.340 -0.000 0.000 0.233 399 R C 1.914 178.203 176.300 -0.017 0.000 1.137 399 R CA 1.714 57.805 56.100 -0.015 0.000 0.945 399 R CB -0.987 29.306 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 4.548 4.640 -0.000 0.000 0.197 400 D C 1.831 178.115 176.300 -0.027 0.000 0.987 400 D CA 1.471 55.459 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 0.864 123.667 122.820 -0.028 0.000 1.908 401 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 401 A C 2.412 179.975 177.584 -0.035 0.000 1.181 401 A CA 1.164 53.181 52.037 -0.034 0.000 0.627 401 A CB -0.818 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 -0.965 120.241 121.223 -0.029 0.000 1.988 402 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 402 L C 2.944 179.794 176.870 -0.033 0.000 1.071 402 L CA 1.156 55.979 54.840 -0.030 0.000 0.744 402 L CB -1.331 40.714 42.059 -0.024 0.000 0.893 402 L HN 0.473 nan 8.230 nan 0.000 0.433 403 G N -0.453 108.330 108.800 -0.028 0.000 2.599 403 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.219 403 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.219 403 G C 1.663 176.544 174.900 -0.031 0.000 1.193 403 G CA 1.889 46.973 45.100 -0.027 0.000 0.778 403 G HN 0.383 nan 8.290 nan 0.000 0.589 404 T N 0.093 114.627 114.554 -0.034 0.000 2.665 404 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 404 T C 2.458 177.126 174.700 -0.052 0.000 1.035 404 T CA 2.360 64.436 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 2.024 121.903 119.914 -0.057 0.000 2.332 405 V HA -0.120 4.000 4.120 -0.000 0.000 0.248 405 V C 3.131 179.181 176.094 -0.072 0.000 1.055 405 V CA 1.912 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 -0.176 122.609 122.820 -0.057 0.000 1.969 406 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 406 A C 1.951 179.504 177.584 -0.051 0.000 1.169 406 A CA 1.893 53.897 52.037 -0.054 0.000 0.635 406 A CB -0.542 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 -0.268 120.106 120.400 -0.042 0.000 2.178 407 D HA -0.073 4.567 4.640 -0.000 0.000 0.202 407 D C 2.025 178.298 176.300 -0.045 0.000 0.974 407 D CA 1.211 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 1.185 121.058 119.914 -0.068 0.000 2.343 408 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 408 V C 2.443 178.465 176.094 -0.120 0.000 1.051 408 V CA 1.170 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 -0.344 120.129 120.570 -0.161 0.000 2.233 409 I HA -0.192 3.978 4.170 -0.000 0.000 0.243 409 I C 2.505 178.489 176.117 -0.221 0.000 1.093 409 I CA 1.437 62.566 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 0.389 120.748 120.400 -0.068 0.000 2.211 410 K HA -0.230 4.090 4.320 -0.000 0.000 0.204 410 K C 1.433 178.058 176.600 0.042 0.000 1.047 410 K CA 1.860 58.175 56.287 0.047 0.000 0.935 410 K CB -0.127 32.416 32.500 0.072 0.000 0.728 410 K HN 0.358 nan 8.250 nan 0.000 0.452 411 D N -1.909 118.488 120.400 -0.005 0.000 2.628 411 D HA 0.041 4.681 4.640 -0.000 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 0.517 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 -0.289 108.489 108.800 -0.037 0.000 2.205 412 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.180 412 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.180 412 G C -0.053 174.846 174.900 -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 0.152 120.660 120.500 0.013 0.000 2.562 413 R HA 0.803 5.143 4.340 -0.000 0.000 0.298 413 R C -0.408 175.917 176.300 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 0.521 4.841 4.320 -0.000 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 1.280 20.273 19.000 -0.012 0.000 1.271 414 A HN 0.653 nan 8.150 nan 0.000 0.400 415 I N -0.330 120.262 120.570 0.037 0.000 3.023 415 I HA 0.903 5.073 4.170 -0.000 0.000 0.312 415 I C 0.230 176.200 176.117 -0.246 0.000 1.056 415 I CA -1.057 60.209 61.300 -0.057 0.000 1.033 415 I CB 1.398 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 2.372 124.866 122.820 -0.545 0.000 2.409 416 A HA 0.657 4.977 4.320 -0.000 0.000 0.267 416 A C 0.456 178.020 177.584 -0.033 0.000 1.127 416 A CA 0.111 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 -0.039 108.724 108.800 -0.061 0.000 2.477 417 G HA2 0.569 4.529 3.960 -0.000 0.000 0.304 417 G HA3 0.569 4.529 3.960 -0.000 0.000 0.304 417 G C 0.686 175.610 174.900 0.040 0.000 1.175 417 G CA -0.083 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 -1.989 106.854 108.800 0.071 0.000 2.507 418 G HA2 0.392 4.352 3.960 -0.000 0.000 0.205 418 G HA3 0.392 4.352 3.960 -0.000 0.000 0.205 418 G C 1.010 175.988 174.900 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 -0.463 108.419 108.800 0.136 0.000 2.194 419 G HA2 0.107 4.067 3.960 -0.000 0.000 0.236 419 G HA3 0.107 4.067 3.960 -0.000 0.000 0.236 419 G C 1.702 176.688 174.900 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 0.251 123.196 122.820 0.208 0.000 1.859 420 A HA 0.096 4.416 4.320 -0.000 0.000 0.217 420 A C 2.593 180.299 177.584 0.204 0.000 1.198 420 A CA 3.250 55.462 52.037 0.292 0.000 0.629 420 A CB -0.839 18.432 19.000 0.451 0.000 0.830 420 A HN 1.169 nan 8.150 nan 0.000 0.446 421 V N -0.131 119.916 119.914 0.222 0.000 2.594 421 V HA -0.216 3.904 4.120 -0.000 0.000 0.253 421 V C 2.330 178.475 176.094 0.085 0.000 1.069 421 V CA 2.222 64.623 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 0.543 nan 8.190 nan 0.000 0.469 422 E N 1.114 121.359 120.200 0.075 0.000 2.001 422 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 422 E C 2.032 178.648 176.600 0.027 0.000 1.002 422 E CA 1.713 58.150 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 0.407 120.960 120.570 -0.029 0.000 2.300 423 I HA -0.271 3.899 4.170 -0.000 0.000 0.252 423 I C 1.648 177.691 176.117 -0.123 0.000 1.119 423 I CA 1.633 62.866 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 1.405 121.539 120.200 -0.110 0.000 2.015 424 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 424 E C 2.425 179.022 176.600 -0.005 0.000 0.991 424 E CA 1.329 57.696 56.400 -0.055 0.000 0.802 424 E CB -0.394 29.300 29.700 -0.011 0.000 0.759 424 E HN 0.503 nan 8.360 nan 0.000 0.447 425 I N 1.416 121.998 120.570 0.021 0.000 2.399 425 I HA -0.247 3.923 4.170 -0.000 0.000 0.254 425 I C 2.232 178.386 176.117 0.061 0.000 1.146 425 I CA 0.955 62.280 61.300 0.042 0.000 1.412 425 I CB -1.478 36.557 38.000 0.059 0.000 1.076 425 I HN -0.055 nan 8.210 nan 0.000 0.432 426 A N 1.185 124.037 122.820 0.054 0.000 1.838 426 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 426 A C 2.443 180.057 177.584 0.050 0.000 1.273 426 A CA 1.450 53.527 52.037 0.068 0.000 0.602 426 A CB -0.749 18.282 19.000 0.052 0.000 0.934 426 A HN 0.276 nan 8.150 nan 0.000 0.461 427 K N -0.469 119.945 120.400 0.022 0.000 2.049 427 K HA -0.303 4.017 4.320 -0.000 0.000 0.219 427 K C 2.180 178.801 176.600 0.035 0.000 1.056 427 K CA 2.258 58.559 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 4.144 4.320 -0.000 0.000 0.206 428 K C 2.128 178.773 176.600 0.075 0.000 1.047 428 K CA 1.182 57.489 56.287 0.033 0.000 0.930 428 K CB -0.268 32.238 32.500 0.010 0.000 0.720 428 K HN 0.214 nan 8.250 nan 0.000 0.450 429 L N 1.228 122.504 121.223 0.089 0.000 2.072 429 L HA -0.061 4.279 4.340 -0.000 0.000 0.205 429 L C 2.330 179.275 176.870 0.125 0.000 1.079 429 L CA 1.425 56.348 54.840 0.138 0.000 0.752 429 L CB -0.354 41.767 42.059 0.105 0.000 0.906 429 L HN 0.066 nan 8.230 nan 0.000 0.436 430 R N -0.541 120.008 120.500 0.082 0.000 2.081 430 R HA -0.203 4.137 4.340 -0.000 0.000 0.235 430 R C 2.273 178.612 176.300 0.065 0.000 1.131 430 R CA 1.635 57.770 56.100 0.059 0.000 0.960 430 R CB -0.369 29.958 30.300 0.046 0.000 0.856 430 R HN 0.277 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 4.134 4.320 -0.000 0.000 0.204 431 K C 1.827 178.510 176.600 0.138 0.000 1.048 431 K CA 1.174 57.508 56.287 0.080 0.000 0.940 431 K CB -0.030 32.506 32.500 0.060 0.000 0.729 431 K HN 0.309 nan 8.250 nan 0.000 0.451 432 Y N 0.255 120.556 120.300 0.001 0.000 2.130 432 Y HA -0.203 4.347 4.550 -0.000 0.000 0.287 432 Y C 2.141 178.044 175.900 0.006 0.000 1.124 432 Y CA 1.012 59.111 58.100 -0.001 0.000 1.118 432 Y CB -0.210 38.244 38.460 -0.010 0.000 0.994 432 Y HN 0.138 nan 8.280 nan 0.000 0.497 433 A N 1.444 124.174 122.820 -0.150 0.000 1.893 433 A HA -0.329 3.991 4.320 -0.000 0.000 0.222 433 A C -0.129 177.370 177.584 -0.141 0.000 1.309 433 A CA 2.855 54.741 52.037 -0.251 0.000 0.681 433 A CB -2.312 16.623 19.000 -0.109 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 1.559 178.855 177.300 -0.006 0.000 1.155 434 P CA 2.288 65.382 63.100 -0.010 0.000 0.890 434 P CB -0.261 31.450 31.700 0.018 0.000 0.790 435 Q N -0.775 119.039 119.800 0.023 0.000 2.354 435 Q HA -0.028 4.312 4.340 -0.000 0.000 0.203 435 Q C 1.920 177.934 176.000 0.024 0.000 0.933 435 Q CA 1.045 56.878 55.803 0.050 0.000 0.901 435 Q CB -1.073 27.736 28.738 0.118 0.000 1.007 435 Q HN 0.235 nan 8.270 nan 0.000 0.495 436 V N -0.899 118.965 119.914 -0.085 0.000 2.282 436 V HA 0.072 4.192 4.120 -0.000 0.000 0.249 436 V C 1.037 177.099 176.094 -0.054 0.000 1.057 436 V CA 1.626 63.847 62.300 -0.132 0.000 1.032 436 V CB -1.068 30.518 31.823 -0.396 0.000 0.645 436 V HN 0.572 nan 8.190 nan 0.000 0.447 437 G N -2.504 106.264 108.800 -0.053 0.000 2.343 437 G HA2 0.452 4.412 3.960 -0.000 0.000 0.289 437 G HA3 0.452 4.412 3.960 -0.000 0.000 0.289 437 G C 0.118 175.003 174.900 -0.025 0.000 1.295 437 G CA -0.260 44.824 45.100 -0.026 0.000 0.869 437 G HN 0.784 nan 8.290 nan 0.000 0.522 438 G N -0.093 108.698 108.800 -0.014 0.000 2.813 438 G HA2 0.007 3.967 3.960 -0.000 0.000 0.208 438 G HA3 0.007 3.967 3.960 -0.000 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 0.710 nan 8.290 nan 0.000 0.617 439 K N 0.434 120.828 120.400 -0.010 0.000 2.025 439 K HA -0.028 4.292 4.320 -0.000 0.000 0.207 439 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 0.933 439 K CB -0.194 32.303 32.500 -0.005 0.000 0.714 439 K HN 0.409 nan 8.250 nan 0.000 0.438 440 E N 1.068 121.255 120.200 -0.021 0.000 2.233 440 E HA -0.306 4.044 4.350 -0.000 0.000 0.199 440 E C 2.120 178.696 176.600 -0.040 0.000 1.004 440 E CA 1.185 57.568 56.400 -0.028 0.000 0.819 440 E CB -0.087 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 4.128 4.340 -0.000 0.000 0.204 441 Q C 2.322 178.308 176.000 -0.025 0.000 0.986 441 Q CA 1.398 57.162 55.803 -0.064 0.000 0.843 441 Q CB -0.134 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 0.297 121.517 121.223 -0.006 0.000 2.081 442 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 442 L C 2.618 179.516 176.870 0.047 0.000 1.080 442 L CA 1.082 55.932 54.840 0.017 0.000 0.754 442 L CB -0.763 41.303 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 4.161 4.320 -0.000 0.000 0.217 443 A C 2.329 180.066 177.584 0.254 0.000 1.191 443 A CA 2.049 54.143 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 0.239 120.237 119.914 0.139 0.000 2.295 444 V HA -0.281 3.839 4.120 -0.000 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 4.100 4.350 -0.000 0.000 0.196 445 E C 2.307 178.969 176.600 0.103 0.000 0.998 445 E CA 1.403 57.843 56.400 0.068 0.000 0.806 445 E CB -0.340 29.384 29.700 0.038 0.000 0.738 445 E HN 0.631 nan 8.360 nan 0.000 0.459 446 A N 1.095 123.996 122.820 0.135 0.000 1.845 446 A HA -0.226 4.094 4.320 -0.000 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 18.084 19.000 0.191 0.000 0.832 446 A HN 0.356 nan 8.150 nan 0.000 0.443 447 Y N 0.839 121.185 120.300 0.077 0.000 2.173 447 Y HA -0.305 4.245 4.550 -0.000 0.000 0.282 447 Y C 2.655 178.544 175.900 -0.018 0.000 1.192 447 Y CA 1.434 59.475 58.100 -0.099 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 0.100 123.092 122.820 0.287 0.000 1.855 448 A HA -0.192 4.128 4.320 -0.000 0.000 0.215 448 A C 2.214 179.870 177.584 0.120 0.000 1.191 448 A CA 1.632 53.796 52.037 0.212 0.000 0.613 448 A CB -0.805 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 0.616 119.358 118.700 0.070 0.000 2.069 449 N HA -0.187 4.553 4.740 -0.000 0.000 0.191 449 N C 1.959 177.462 175.510 -0.012 0.000 1.031 449 N CA 1.628 54.695 53.050 0.028 0.000 0.852 449 N CB -0.521 37.976 38.487 0.016 0.000 1.018 449 N HN 0.474 nan 8.380 nan 0.000 0.423 450 A N 1.594 124.368 122.820 -0.077 0.000 1.940 450 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 450 A C 2.356 179.847 177.584 -0.153 0.000 1.176 450 A CA 0.959 52.873 52.037 -0.205 0.000 0.631 450 A CB -0.769 17.974 19.000 -0.428 0.000 0.814 450 A HN 0.281 nan 8.150 nan 0.000 0.446 451 L N -0.704 120.531 121.223 0.019 0.000 2.093 451 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 451 L C 2.492 179.464 176.870 0.169 0.000 1.085 451 L CA 1.608 56.629 54.840 0.301 0.000 0.755 451 L CB -0.288 42.020 42.059 0.415 0.000 0.904 451 L HN 0.506 nan 8.230 nan 0.000 0.435 452 E N -0.987 119.269 120.200 0.094 0.000 2.152 452 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 452 E C 2.182 178.809 176.600 0.046 0.000 0.983 452 E CA 1.078 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 0.395 nan 8.360 nan 0.000 0.467 453 S N 1.312 117.020 115.700 0.013 0.000 2.392 453 S HA -0.193 4.277 4.470 -0.000 0.000 0.232 453 S C 1.884 176.472 174.600 -0.020 0.000 1.041 453 S CA 0.805 58.993 58.200 -0.020 0.000 1.026 453 S CB -0.240 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 2.000 123.227 121.223 0.006 0.000 1.990 454 L HA -0.126 4.214 4.340 -0.000 0.000 0.213 454 L C 2.445 179.337 176.870 0.036 0.000 1.072 454 L CA 1.934 56.766 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 0.366 nan 8.230 nan 0.000 0.432 455 V N -4.446 115.526 119.914 0.096 0.000 2.667 455 V HA -0.123 3.996 4.120 -0.000 0.000 0.252 455 V C 2.255 178.415 176.094 0.110 0.000 1.065 455 V CA 1.712 64.090 62.300 0.131 0.000 1.083 455 V CB -0.766 31.126 31.823 0.115 0.000 0.692 455 V HN 0.422 nan 8.190 nan 0.000 0.468 456 S N 1.102 116.844 115.700 0.069 0.000 2.355 456 S HA 0.012 4.482 4.470 -0.000 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 -0.482 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 1.441 122.029 120.570 0.030 0.000 2.194 457 I HA -0.240 3.930 4.170 -0.000 0.000 0.246 457 I C 2.364 178.549 176.117 0.115 0.000 1.093 457 I CA 1.186 62.500 61.300 0.023 0.000 1.355 457 I CB -0.397 37.551 38.000 -0.085 0.000 1.046 457 I HN 0.241 nan 8.210 nan 0.000 0.413 458 L N 0.522 121.863 121.223 0.197 0.000 2.017 458 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 458 L C 2.549 179.518 176.870 0.164 0.000 1.073 458 L CA 1.403 56.401 54.840 0.262 0.000 0.745 458 L CB -0.142 42.096 42.059 0.298 0.000 0.894 458 L HN 0.145 nan 8.230 nan 0.000 0.432 459 I N -0.045 120.616 120.570 0.152 0.000 2.142 459 I HA -0.289 3.881 4.170 -0.000 0.000 0.240 459 I C 2.399 178.592 176.117 0.127 0.000 1.078 459 I CA 1.441 62.845 61.300 0.173 0.000 1.343 459 I CB -1.503 36.597 38.000 0.166 0.000 1.046 459 I HN 0.364 nan 8.210 nan 0.000 0.405 460 E N 1.246 121.496 120.200 0.083 0.000 2.082 460 E HA -0.298 4.052 4.350 -0.000 0.000 0.215 460 E C 1.817 178.411 176.600 -0.009 0.000 1.048 460 E CA 2.119 58.538 56.400 0.033 0.000 0.869 460 E CB -0.490 29.225 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 2.513 461 N HA -0.130 4.610 4.740 -0.000 0.000 0.187 461 N C 1.558 177.019 175.510 -0.082 0.000 1.056 461 N CA 0.376 53.414 53.050 -0.020 0.000 0.907 461 N CB -0.046 38.456 38.487 0.026 0.000 0.954 461 N HN 0.140 nan 8.380 nan 0.000 0.445 462 A N 0.483 123.254 122.820 -0.081 0.000 2.072 462 A HA 0.290 4.609 4.320 -0.000 0.000 0.216 462 A C 1.693 178.950 177.584 -0.545 0.000 1.156 462 A CA 0.971 52.896 52.037 -0.186 0.000 0.701 462 A CB -0.059 18.994 19.000 0.090 0.000 0.816 462 A HN 0.310 nan 8.150 nan 0.000 0.458 463 G N -2.428 106.101 108.800 -0.452 0.000 2.131 463 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.201 463 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.201 463 G C -0.194 174.322 174.900 -0.639 0.000 1.000 463 G CA 0.042 44.818 45.100 -0.540 0.000 0.680 463 G HN 0.326 nan 8.290 nan 0.000 0.514 464 F N 0.269 120.214 119.950 -0.007 0.000 2.575 464 F HA 0.580 5.107 4.527 -0.000 0.000 0.330 464 F C 0.351 176.156 175.800 0.009 0.000 1.056 464 F CA -1.896 56.106 58.000 0.003 0.000 0.964 464 F CB 1.016 40.022 39.000 0.010 0.000 1.258 464 F HN -0.050 nan 8.300 nan 0.000 0.484 465 D N 4.154 124.687 120.400 0.223 0.000 2.363 465 D HA 0.045 4.685 4.640 -0.000 0.000 0.263 465 D C -1.441 174.928 176.300 0.116 0.000 1.258 465 D CA -1.485 52.589 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 0.778 63.926 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 0.577 121.177 120.570 0.050 0.000 2.179 467 I HA -0.181 3.989 4.170 -0.000 0.000 0.242 467 I C 2.066 178.210 176.117 0.044 0.000 1.088 467 I CA 1.659 62.983 61.300 0.040 0.000 1.357 467 I CB -1.798 36.220 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 -0.197 4.443 4.640 -0.000 0.000 0.189 468 D C 2.422 178.746 176.300 0.041 0.000 0.998 468 D CA 1.345 55.370 54.000 0.043 0.000 0.839 468 D CB -0.531 40.297 40.800 0.047 0.000 0.962 468 D HN 0.256 nan 8.370 nan 0.000 0.446 469 L N 0.247 121.498 121.223 0.046 0.000 2.083 469 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 469 L C 2.658 179.562 176.870 0.057 0.000 1.083 469 L CA 0.468 55.331 54.840 0.038 0.000 0.752 469 L CB -0.382 41.695 42.059 0.029 0.000 0.899 469 L HN 0.098 nan 8.230 nan 0.000 0.433 470 L N -0.654 120.606 121.223 0.063 0.000 2.012 470 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 470 L C 2.766 179.672 176.870 0.060 0.000 1.073 470 L CA 1.365 56.244 54.840 0.065 0.000 0.748 470 L CB -0.043 42.049 42.059 0.056 0.000 0.891 470 L HN 0.286 nan 8.230 nan 0.000 0.431 471 M N -0.402 119.228 119.600 0.049 0.000 2.099 471 M HA -0.243 4.237 4.480 -0.000 0.000 0.262 471 M C 2.198 178.528 176.300 0.051 0.000 1.067 471 M CA 1.579 56.906 55.300 0.045 0.000 1.124 471 M CB -1.224 31.397 32.600 0.034 0.000 1.353 471 M HN 0.182 nan 8.290 nan 0.000 0.410 472 K N 0.122 120.551 120.400 0.048 0.000 2.211 472 K HA -0.167 4.153 4.320 -0.000 0.000 0.204 472 K C 1.950 178.594 176.600 0.074 0.000 1.047 472 K CA 0.890 57.205 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 4.284 4.340 -0.000 0.000 0.200 473 L C 2.043 179.047 176.870 0.223 0.000 1.075 473 L CA 1.513 56.455 54.840 0.170 0.000 0.768 473 L CB -0.875 41.289 42.059 0.175 0.000 0.933 473 L HN 0.225 nan 8.230 nan 0.000 0.451 474 R N -0.617 119.967 120.500 0.140 0.000 2.341 474 R HA -0.098 4.242 4.340 -0.000 0.000 0.213 474 R C 2.010 178.379 176.300 0.114 0.000 1.082 474 R CA 1.289 57.453 56.100 0.106 0.000 1.017 474 R CB -0.554 29.772 30.300 0.043 0.000 0.860 474 R HN 0.326 nan 8.270 nan 0.000 0.473 475 S N 0.186 115.945 115.700 0.099 0.000 2.404 475 S HA -0.076 4.394 4.470 -0.000 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 0.136 114.720 114.554 0.049 0.000 3.227 476 T HA 0.047 4.397 4.350 -0.000 0.000 0.257 476 T C 0.342 174.940 174.700 -0.169 0.000 1.162 476 T CA 0.563 62.632 62.100 -0.052 0.000 1.051 476 T CB -0.465 68.392 68.868 -0.019 0.000 0.953 476 T HN 0.487 nan 8.240 nan 0.000 0.535 477 H N 0.089 119.124 119.070 -0.059 0.000 2.487 477 H HA 0.310 4.866 4.556 -0.000 0.000 0.290 477 H C 1.644 176.928 175.328 -0.073 0.000 1.081 477 H CA -0.200 55.807 56.048 -0.068 0.000 1.116 477 H CB 0.531 30.285 29.762 -0.013 0.000 1.560 477 H HN 0.231 nan 8.280 nan 0.000 0.548 478 E N 0.300 120.490 120.200 -0.017 0.000 2.051 478 E HA -0.028 4.322 4.350 -0.000 0.000 0.189 478 E C 0.239 176.797 176.600 -0.070 0.000 0.979 478 E CA 0.365 56.750 56.400 -0.026 0.000 0.803 478 E CB -0.094 29.589 29.700 -0.029 0.000 0.761 478 E HN 0.376 nan 8.360 nan 0.000 0.451 479 N N 3.142 121.763 118.700 -0.131 0.000 2.411 479 N HA -0.085 4.655 4.740 -0.000 0.000 0.282 479 N C 0.922 176.333 175.510 -0.166 0.000 1.322 479 N CA 0.236 53.189 53.050 -0.160 0.000 0.943 479 N CB 0.861 39.209 38.487 -0.232 0.000 1.266 479 N HN 0.109 nan 8.380 nan 0.000 0.486 480 E N 2.579 122.709 120.200 -0.118 0.000 2.284 480 E HA -0.213 4.137 4.350 -0.000 0.000 0.200 480 E C 0.035 176.545 176.600 -0.150 0.000 1.008 480 E CA 1.393 57.725 56.400 -0.114 0.000 0.829 480 E CB -0.149 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 -0.451 118.152 118.700 -0.161 0.000 2.322 481 N HA 0.076 4.816 4.740 -0.000 0.000 0.216 481 N C -0.123 175.278 175.510 -0.183 0.000 1.144 481 N CA -0.016 52.941 53.050 -0.156 0.000 0.830 481 N CB 0.282 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 0.306 118.846 118.700 -0.267 0.000 2.159 482 N HA -0.019 4.721 4.740 -0.000 0.000 0.217 482 N C 1.185 176.613 175.510 -0.136 0.000 1.223 482 N CA -0.146 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 0.687 120.983 120.400 -0.172 0.000 2.108 483 K HA -0.266 4.054 4.320 -0.000 0.000 0.219 483 K C 0.653 177.338 176.600 0.142 0.000 1.054 483 K CA 1.794 58.005 56.287 -0.127 0.000 0.945 483 K CB -0.780 31.405 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 0.099 4.759 4.660 -0.000 0.000 0.247 484 W C -0.092 176.592 176.519 0.276 0.000 1.326 484 W CA -1.328 56.168 57.345 0.250 0.000 1.564 484 W CB -0.107 29.484 29.460 0.218 0.000 1.113 484 W HN 0.022 nan 8.180 nan 0.000 0.722 485 Y N 1.196 121.657 120.300 0.268 0.000 2.359 485 Y HA 0.408 4.958 4.550 -0.000 0.000 0.330 485 Y C 0.899 176.975 175.900 0.294 0.000 1.143 485 Y CA 0.258 58.448 58.100 0.149 0.000 1.318 485 Y CB 0.707 39.077 38.460 -0.149 0.000 1.234 485 Y HN -0.104 nan 8.280 nan 0.000 0.522 486 G N 2.462 111.423 108.800 0.268 0.000 3.058 486 G HA2 0.611 4.571 3.960 -0.000 0.000 0.282 486 G HA3 0.611 4.571 3.960 -0.000 0.000 0.282 486 G C -1.575 173.417 174.900 0.154 0.000 1.248 486 G CA -0.905 44.340 45.100 0.242 0.000 0.822 486 G HN 0.441 nan 8.290 nan 0.000 0.579 487 I N 1.313 121.956 120.570 0.122 0.000 2.390 487 I HA 0.191 4.361 4.170 -0.000 0.000 0.283 487 I C -1.012 175.147 176.117 0.070 0.000 1.016 487 I CA -0.525 60.823 61.300 0.079 0.000 1.151 487 I CB 1.680 39.725 38.000 0.075 0.000 1.293 487 I HN 0.417 nan 8.210 nan 0.000 0.458 488 D N 6.979 127.406 120.400 0.044 0.000 2.426 488 D HA -0.007 4.633 4.640 -0.000 0.000 0.261 488 D C 0.681 177.065 176.300 0.140 0.000 1.245 488 D CA -0.057 53.993 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 4.318 4.340 -0.000 0.000 0.257 489 L C -0.038 176.973 176.870 0.234 0.000 1.206 489 L CA 0.693 55.689 54.840 0.260 0.000 1.042 489 L CB -1.758 40.392 42.059 0.152 0.000 1.321 489 L HN 0.642 nan 8.230 nan 0.000 0.417 490 Y N -1.494 118.908 120.300 0.169 0.000 2.460 490 Y HA 0.264 4.814 4.550 -0.000 0.000 0.276 490 Y C 1.946 177.938 175.900 0.152 0.000 1.119 490 Y CA 0.361 58.562 58.100 0.169 0.000 1.181 490 Y CB 0.256 38.764 38.460 0.080 0.000 1.304 490 Y HN 0.098 nan 8.280 nan 0.000 0.536 491 A N -0.340 122.596 122.820 0.194 0.000 2.259 491 A HA 0.511 4.831 4.320 -0.000 0.000 0.213 491 A C 1.460 178.957 177.584 -0.146 0.000 1.209 491 A CA 0.533 52.605 52.037 0.058 0.000 0.910 491 A CB -0.413 18.609 19.000 0.037 0.000 0.946 491 A HN 0.541 nan 8.150 nan 0.000 0.497 492 G N -0.292 108.277 108.800 -0.384 0.000 2.462 492 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.283 492 G HA3 -0.080 3.880 3.960 -0.000 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 1.057 nan 8.290 nan 0.000 0.518 493 Q N 0.092 119.771 119.800 -0.201 0.000 2.646 493 Q HA 0.362 4.702 4.340 -0.000 0.000 0.260 493 Q C -3.082 172.907 176.000 -0.018 0.000 0.975 493 Q CA -1.494 54.258 55.803 -0.086 0.000 0.936 493 Q CB 1.902 30.605 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 -0.155 119.707 119.914 -0.087 0.000 3.182 495 V HA 0.564 4.684 4.120 -0.000 0.000 0.308 495 V C -0.769 174.841 176.094 -0.806 0.000 1.240 495 V CA -1.084 60.985 62.300 -0.384 0.000 1.063 495 V CB 2.210 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 1.918 121.748 120.400 -0.949 0.000 2.344 496 D HA 0.241 4.881 4.640 -0.000 0.000 0.253 496 D C 1.096 177.294 176.300 -0.169 0.000 1.255 496 D CA -0.212 53.399 54.000 -0.649 0.000 0.894 496 D CB 1.247 41.841 40.800 -0.343 0.000 1.067 496 D HN 0.526 nan 8.370 nan 0.000 0.492 497 M N 2.971 122.553 119.600 -0.030 0.000 2.065 497 M HA -0.169 4.311 4.480 -0.000 0.000 0.259 497 M C 2.086 178.390 176.300 0.007 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 2.030 123.258 121.300 -0.119 0.000 2.301 498 W HA -0.255 4.405 4.660 -0.000 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 -0.735 28.528 29.460 -0.328 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 -0.048 4.291 4.340 -0.000 0.000 0.217 499 Q C 0.629 176.634 176.000 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 -1.193 119.170 120.400 -0.063 0.000 2.625 500 K HA 0.136 4.456 4.320 -0.000 0.000 0.190 500 K C -0.005 176.511 176.600 -0.141 0.000 1.174 500 K CA 0.155 56.387 56.287 -0.091 0.000 1.103 500 K CB 1.533 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 1.640 110.314 108.800 -0.209 0.000 2.385 501 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.294 501 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.294 501 G C -0.318 174.430 174.900 -0.253 0.000 1.070 501 G CA 0.051 44.996 45.100 -0.258 0.000 1.172 501 G HN 0.115 nan 8.290 nan 0.000 0.516 502 V N 1.495 121.221 119.914 -0.313 0.000 2.558 502 V HA 0.492 4.612 4.120 -0.000 0.000 0.261 502 V C -0.143 175.754 176.094 -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 -0.150 0.000 1.067 502 V HN 0.436 nan 8.190 nan 0.000 0.468 503 I N 1.959 122.299 120.570 -0.383 0.000 2.846 503 I HA 0.676 4.846 4.170 -0.000 0.000 0.307 503 I C 0.029 175.992 176.117 -0.257 0.000 1.053 503 I CA -0.467 60.581 61.300 -0.419 0.000 1.050 503 I CB 2.211 39.798 38.000 -0.689 0.000 1.239 503 I HN 0.390 nan 8.210 nan 0.000 0.439 504 E N 2.936 123.017 120.200 -0.198 0.000 2.383 504 E HA 0.388 4.738 4.350 -0.000 0.000 0.275 504 E C -2.634 173.912 176.600 -0.090 0.000 0.918 504 E CA -2.105 54.220 56.400 -0.125 0.000 0.764 504 E CB 1.910 31.558 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 0.101 177.392 177.300 -0.016 0.000 1.189 505 P CA 0.433 63.507 63.100 -0.042 0.000 0.808 505 P CB 0.214 31.890 31.700 -0.039 0.000 0.793 506 A N 3.836 126.660 122.820 0.005 0.000 2.245 506 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 506 A C 1.686 179.286 177.584 0.026 0.000 1.171 506 A CA 1.262 53.320 52.037 0.034 0.000 0.688 506 A CB -0.959 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 -1.594 119.636 121.223 0.013 0.000 2.253 507 L HA 0.106 4.446 4.340 -0.000 0.000 0.205 507 L C 2.295 179.170 176.870 0.007 0.000 1.078 507 L CA 1.333 56.181 54.840 0.014 0.000 0.805 507 L CB -0.253 41.814 42.059 0.014 0.000 0.963 507 L HN 0.138 nan 8.230 nan 0.000 0.459 508 V N 0.135 120.049 119.914 -0.001 0.000 2.255 508 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 508 V C 2.355 178.448 176.094 -0.002 0.000 1.051 508 V CA 2.256 64.555 62.300 -0.003 0.000 1.018 508 V CB -0.293 31.522 31.823 -0.013 0.000 0.641 508 V HN 0.575 nan 8.190 nan 0.000 0.445 509 K N -1.120 119.277 120.400 -0.005 0.000 2.569 509 K HA 0.038 4.358 4.320 -0.000 0.000 0.193 509 K C 1.619 178.205 176.600 -0.023 0.000 1.026 509 K CA 0.711 56.992 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 -1.097 118.497 119.600 -0.010 0.000 2.858 510 M HA 0.050 4.530 4.480 -0.000 0.000 0.255 510 M C 0.934 177.230 176.300 -0.006 0.000 1.336 510 M CA 0.818 56.114 55.300 -0.007 0.000 1.220 510 M CB 0.284 32.891 32.600 0.012 0.000 1.252 510 M HN 0.134 nan 8.290 nan 0.000 0.538 511 N N 0.612 119.314 118.700 0.004 0.000 2.309 511 N HA -0.045 4.695 4.740 -0.000 0.000 0.182 511 N C 1.673 177.189 175.510 0.010 0.000 1.018 511 N CA 0.834 53.893 53.050 0.014 0.000 0.876 511 N CB -0.009 38.490 38.487 0.020 0.000 0.972 511 N HN 0.386 nan 8.380 nan 0.000 0.434 512 A N 2.048 124.865 122.820 -0.006 0.000 1.865 512 A HA -0.156 4.164 4.320 -0.000 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 0.127 120.633 120.570 -0.107 0.000 2.151 513 I HA -0.280 3.890 4.170 -0.000 0.000 0.243 513 I C 2.243 178.379 176.117 0.033 0.000 1.080 513 I CA 1.948 63.161 61.300 -0.144 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 1.059 121.483 120.400 0.041 0.000 2.057 514 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 514 K C 2.305 178.956 176.600 0.085 0.000 1.049 514 K CA 1.579 57.910 56.287 0.073 0.000 0.931 514 K CB -0.261 32.271 32.500 0.053 0.000 0.714 514 K HN 0.316 nan 8.250 nan 0.000 0.440 515 A N 1.950 124.810 122.820 0.067 0.000 1.841 515 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 515 A C 2.492 180.135 177.584 0.098 0.000 1.199 515 A CA 2.083 54.163 52.037 0.072 0.000 0.621 515 A CB -1.132 17.903 19.000 0.058 0.000 0.835 515 A HN 0.325 nan 8.150 nan 0.000 0.445 516 A N -1.143 121.752 122.820 0.126 0.000 1.903 516 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 516 A C 2.306 179.989 177.584 0.165 0.000 1.191 516 A CA 2.744 54.893 52.037 0.187 0.000 0.638 516 A CB -1.574 17.673 19.000 0.412 0.000 0.823 516 A HN 0.491 nan 8.150 nan 0.000 0.451 517 T N -0.691 113.983 114.554 0.201 0.000 2.867 517 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 517 T C 1.829 176.626 174.700 0.161 0.000 1.057 517 T CA 1.613 63.827 62.100 0.191 0.000 1.136 517 T CB -0.212 68.830 68.868 0.290 0.000 0.874 517 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 4.252 4.350 -0.000 0.000 0.196 518 E C 2.282 178.937 176.600 0.092 0.000 1.003 518 E CA 1.727 58.190 56.400 0.104 0.000 0.809 518 E CB -0.776 28.974 29.700 0.083 0.000 0.755 518 E HN 0.372 nan 8.360 nan 0.000 0.449 519 A N 1.222 124.091 122.820 0.081 0.000 1.851 519 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 519 A C 2.558 180.182 177.584 0.066 0.000 1.195 519 A CA 2.902 54.978 52.037 0.065 0.000 0.622 519 A CB -1.499 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 -0.350 122.512 122.820 0.070 0.000 1.869 520 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 520 A C 2.494 180.147 177.584 0.114 0.000 1.203 520 A CA 3.407 55.488 52.037 0.074 0.000 0.638 520 A CB -1.732 17.296 19.000 0.046 0.000 0.831 520 A HN 0.989 nan 8.150 nan 0.000 0.450 521 T N -2.500 112.145 114.554 0.152 0.000 2.962 521 T HA -0.051 4.299 4.350 -0.000 0.000 0.270 521 T C 1.682 176.423 174.700 0.069 0.000 1.088 521 T CA 1.374 63.550 62.100 0.128 0.000 1.127 521 T CB -0.337 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 1.332 122.595 121.223 0.066 0.000 2.093 522 L HA 0.140 4.480 4.340 -0.000 0.000 0.208 522 L C 2.567 179.458 176.870 0.034 0.000 1.085 522 L CA 1.216 56.084 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 3.855 4.120 -0.000 0.000 0.248 523 V C 2.454 178.554 176.094 0.011 0.000 1.055 523 V CA 1.589 63.906 62.300 0.028 0.000 1.049 523 V CB -0.613 31.227 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 4.287 4.340 -0.000 0.000 0.211 524 L C 2.468 179.311 176.870 -0.046 0.000 1.107 524 L CA 1.490 56.309 54.840 -0.035 0.000 0.783 524 L CB -0.798 41.227 42.059 -0.058 0.000 0.919 524 L HN 0.212 nan 8.230 nan 0.000 0.442 525 R N 0.124 120.613 120.500 -0.018 0.000 2.148 525 R HA -0.034 4.306 4.340 -0.000 0.000 0.227 525 R C 0.550 176.843 176.300 -0.010 0.000 1.103 525 R CA 0.641 56.733 56.100 -0.014 0.000 0.983 525 R CB -0.222 30.084 30.300 0.009 0.000 0.874 525 R HN 0.039 nan 8.270 nan 0.000 0.451 526 I N 1.814 122.382 120.570 -0.003 0.000 2.533 526 I HA -0.055 4.115 4.170 -0.000 0.000 0.284 526 I C 0.971 177.087 176.117 -0.003 0.000 1.109 526 I CA 0.637 61.939 61.300 0.003 0.000 1.412 526 I CB 0.925 38.933 38.000 0.014 0.000 1.396 526 I HN 0.301 nan 8.210 nan 0.000 0.543 527 D N 3.477 123.879 120.400 0.002 0.000 2.380 527 D HA -0.002 4.638 4.640 -0.000 0.000 0.212 527 D C -0.005 176.301 176.300 0.010 0.000 1.021 527 D CA 0.593 54.595 54.000 0.003 0.000 0.884 527 D CB 0.914 41.720 40.800 0.010 0.000 1.001 527 D HN 0.656 nan 8.370 nan 0.000 0.506 528 D N -0.447 119.961 120.400 0.013 0.000 2.685 528 D HA 0.158 4.798 4.640 -0.000 0.000 0.236 528 D C -1.355 174.953 176.300 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 42.836 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 5.004 4.120 -0.000 0.000 0.295 529 V C -0.690 175.403 176.094 -0.001 0.000 1.025 529 V CA -0.660 61.641 62.300 0.001 0.000 0.859 529 V CB 1.488 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 4.604 124.515 119.914 -0.006 0.000 2.482 530 V HA 0.680 4.800 4.120 -0.000 0.000 0.295 530 V C 0.265 176.352 176.094 -0.011 0.000 1.026 530 V CA 0.166 62.463 62.300 -0.005 0.000 0.856 530 V CB 1.666 33.489 31.823 -0.001 0.000 1.001 530 V HN 1.249 nan 8.190 nan 0.000 0.424 531 S N 4.050 119.742 115.700 -0.014 0.000 2.704 531 S HA 0.973 5.442 4.470 -0.000 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 4.320 4.320 -0.000 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