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_G 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 0.208 120.607 120.400 -0.002 0.000 2.189 29 K HA -0.195 4.124 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 -0.100 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 0.895 123.724 122.820 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 0.993 53.047 52.037 0.028 0.000 0.653 31 A CB -0.519 18.504 19.000 0.039 0.000 0.833 31 A HN 0.116 nan 8.150 nan 0.000 0.451 32 V N 0.830 120.752 119.914 0.013 0.000 2.428 32 V HA -0.306 3.814 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 2.305 64.608 62.300 0.004 0.000 1.083 32 V CB -0.923 30.893 31.823 -0.012 0.000 0.665 32 V HN 0.521 nan 8.190 nan 0.000 0.461 33 R N 0.343 120.840 120.500 -0.006 0.000 2.066 33 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 33 R C 2.352 178.630 176.300 -0.036 0.000 1.131 33 R CA 1.928 58.018 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 0.490 nan 8.270 nan 0.000 0.432 34 A N 1.964 124.761 122.820 -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 1.945 53.922 52.037 -0.101 0.000 0.629 34 A CB -0.772 18.201 19.000 -0.046 0.000 0.830 34 A HN 0.453 nan 8.150 nan 0.000 0.446 35 N N 0.205 118.896 118.700 -0.016 0.000 2.036 35 N HA -0.182 4.558 4.740 -0.000 0.000 0.195 35 N C 1.812 177.309 175.510 -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 1.636 122.192 120.570 -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 1.406 62.688 61.300 -0.031 0.000 1.311 36 I CB -0.562 37.421 38.000 -0.028 0.000 1.024 36 I HN 0.100 nan 8.210 nan 0.000 0.402 37 A N 0.887 123.661 122.820 -0.077 0.000 1.870 37 A HA -0.363 3.956 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 2.947 54.928 52.037 -0.094 0.000 0.650 37 A CB -1.310 17.619 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 -0.092 4.228 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 2.377 54.335 52.037 -0.131 0.000 0.631 38 A CB -1.244 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 -0.867 30.951 31.823 -0.009 0.000 0.637 39 V HN 0.561 nan 8.190 nan 0.000 0.444 40 K N 0.288 120.662 120.400 -0.042 0.000 2.089 40 K HA -0.264 4.056 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 1.674 57.933 56.287 -0.048 0.000 0.926 40 K CB -0.577 31.892 32.500 -0.052 0.000 0.714 40 K HN 0.509 nan 8.250 nan 0.000 0.448 41 A N 1.252 124.049 122.820 -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 1.924 53.943 52.037 -0.031 0.000 0.629 41 A CB -0.858 18.121 19.000 -0.035 0.000 0.826 41 A HN 0.097 nan 8.150 nan 0.000 0.447 42 V N 0.074 119.981 119.914 -0.011 0.000 2.332 42 V HA -0.304 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 2.406 64.706 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 0.172 120.361 120.200 -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 1.360 57.743 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 0.528 nan 8.360 nan 0.000 0.448 44 E N -0.338 119.846 120.200 -0.026 0.000 2.455 44 E HA -0.170 4.180 4.350 -0.000 0.000 0.202 44 E C 1.363 177.957 176.600 -0.011 0.000 1.045 44 E CA 0.814 57.202 56.400 -0.021 0.000 0.872 44 E CB 0.018 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 -0.535 122.282 122.820 -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 0.301 52.340 52.037 0.004 0.000 0.787 45 A CB 0.266 19.270 19.000 0.006 0.000 0.858 45 A HN 0.145 nan 8.150 nan 0.000 0.474 46 L N -1.417 119.817 121.223 0.018 0.000 2.609 46 L HA 0.285 4.625 4.340 -0.000 0.000 0.230 46 L C 1.822 178.722 176.870 0.049 0.000 1.064 46 L CA 0.822 55.686 54.840 0.040 0.000 0.873 46 L CB -0.384 41.710 42.059 0.058 0.000 1.139 46 L HN 0.272 nan 8.230 nan 0.000 0.490 47 K N 0.844 121.255 120.400 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 2.426 58.717 56.287 0.006 0.000 0.945 47 K CB -0.242 32.243 32.500 -0.025 0.000 0.728 47 K HN 0.454 nan 8.250 nan 0.000 0.462 48 S N -1.138 114.581 115.700 0.032 0.000 2.660 48 S HA -0.056 4.414 4.470 -0.000 0.000 0.228 48 S C 1.243 175.869 174.600 0.044 0.000 0.966 48 S CA 1.042 59.260 58.200 0.030 0.000 0.940 48 S CB -0.065 63.140 63.200 0.009 0.000 0.773 48 S HN 0.546 nan 8.310 nan 0.000 0.535 49 T N -3.660 110.938 114.554 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 2.753 123.053 120.300 0.002 0.000 2.223 50 Y HA 0.411 4.961 4.550 -0.000 0.000 0.352 50 Y C 1.256 177.161 175.900 0.009 0.000 1.293 50 Y CA 1.154 59.259 58.100 0.010 0.000 1.601 50 Y CB -0.269 38.201 38.460 0.017 0.000 1.407 50 Y HN 0.698 nan 8.280 nan 0.000 0.639 51 G N 1.697 110.221 108.800 -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 63.808 63.100 -0.042 0.000 0.781 52 P CB 0.364 32.066 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 4.727 4.340 -0.000 0.000 0.395 53 R C 0.817 177.080 176.300 -0.062 0.000 1.128 53 R CA -0.237 55.821 56.100 -0.070 0.000 1.042 53 R CB 0.073 30.269 30.300 -0.175 0.000 1.392 53 R HN 0.046 nan 8.270 nan 0.000 0.582 54 G N 0.360 109.139 108.800 -0.034 0.000 2.570 54 G HA2 0.141 4.100 3.960 -0.000 0.000 0.276 54 G HA3 0.141 4.100 3.960 -0.000 0.000 0.276 54 G C 0.130 175.018 174.900 -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 -0.347 119.249 119.600 -0.007 0.000 2.363 55 M HA 0.400 4.880 4.480 -0.000 0.000 0.280 55 M C -0.567 175.730 176.300 -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 0.710 121.105 120.400 -0.008 0.000 2.481 56 D HA 0.394 5.034 4.640 -0.000 0.000 0.244 56 D C -0.639 175.659 176.300 -0.004 0.000 1.057 56 D CA -0.445 53.551 54.000 -0.005 0.000 0.848 56 D CB 1.925 42.720 40.800 -0.009 0.000 1.388 56 D HN 0.130 nan 8.370 nan 0.000 0.475 57 K N 1.286 121.685 120.400 -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 3.650 123.248 119.600 -0.003 0.000 2.404 58 M HA 0.412 4.892 4.480 -0.000 0.000 0.338 58 M C -1.438 174.860 176.300 -0.002 0.000 1.150 58 M CA -0.679 54.619 55.300 -0.003 0.000 1.016 58 M CB 0.823 33.420 32.600 -0.005 0.000 1.672 58 M HN 0.419 nan 8.290 nan 0.000 0.448 59 L N 5.590 126.812 121.223 -0.002 0.000 2.404 59 L HA 0.524 4.864 4.340 -0.000 0.000 0.272 59 L C -1.255 175.614 176.870 -0.002 0.000 0.980 59 L CA -0.924 53.915 54.840 -0.001 0.000 0.836 59 L CB 1.900 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 1.678 121.591 119.914 -0.002 0.000 2.328 60 V HA 0.181 4.301 4.120 -0.000 0.000 0.278 60 V C 0.085 176.178 176.094 -0.002 0.000 1.021 60 V CA -0.550 61.749 62.300 -0.002 0.000 0.838 60 V CB 1.448 33.269 31.823 -0.003 0.000 0.999 60 V HN 0.639 nan 8.190 nan 0.000 0.447 61 D N 3.199 123.598 120.400 -0.002 0.000 2.419 61 D HA -0.039 4.601 4.640 -0.000 0.000 0.236 61 D C 1.456 177.755 176.300 -0.001 0.000 1.165 61 D CA 0.676 54.676 54.000 -0.001 0.000 0.882 61 D CB 1.494 42.293 40.800 -0.002 0.000 1.201 61 D HN 0.464 nan 8.370 nan 0.000 0.443 62 S N 1.839 117.539 115.700 -0.001 0.000 2.419 62 S HA -0.112 4.358 4.470 -0.000 0.000 0.233 62 S C 1.987 176.586 174.600 -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 -0.057 121.165 121.223 -0.002 0.000 2.191 63 L HA 0.064 4.404 4.340 -0.000 0.000 0.212 63 L C 1.666 178.534 176.870 -0.003 0.000 1.103 63 L CA 1.312 56.150 54.840 -0.002 0.000 0.769 63 L CB -0.269 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 -1.599 107.199 108.800 -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 -0.152 174.745 174.900 -0.004 0.000 1.001 64 G CA -0.048 45.050 45.100 -0.003 0.000 0.668 64 G HN 0.322 nan 8.290 nan 0.000 0.483 65 D N 2.546 122.943 120.400 -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 0.375 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 -0.430 175.683 176.117 -0.006 0.000 0.989 66 I CA -0.519 60.778 61.300 -0.005 0.000 1.173 66 I CB 1.199 39.196 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 1.309 70.174 68.868 -0.005 0.000 0.984 67 T HN 0.655 nan 8.240 nan 0.000 0.442 68 I N 0.850 121.417 120.570 -0.006 0.000 2.336 68 I HA 0.890 5.060 4.170 -0.000 0.000 0.292 68 I C -0.069 176.044 176.117 -0.006 0.000 0.991 68 I CA -0.428 60.869 61.300 -0.006 0.000 1.227 68 I CB 1.780 39.776 38.000 -0.007 0.000 1.366 68 I HN 0.521 nan 8.210 nan 0.000 0.466 69 T N 3.029 117.581 114.554 -0.004 0.000 2.711 69 T HA 0.372 4.722 4.350 -0.000 0.000 0.302 69 T C -0.761 173.938 174.700 -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 -1.127 174.385 175.510 0.004 0.000 1.395 70 N CA -0.397 52.655 53.050 0.003 0.000 0.852 70 N CB 0.582 39.068 38.487 -0.001 0.000 1.371 70 N HN 0.591 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 0.266 4.906 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 0.261 nan 8.370 nan 0.000 0.471 72 G N 3.784 112.596 108.800 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 1.538 46.655 45.100 0.028 0.000 0.779 72 G HN 0.660 nan 8.290 nan 0.000 0.577 73 A N 0.204 123.035 122.820 0.018 0.000 1.870 73 A HA -0.196 4.124 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 3.180 55.227 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 0.360 nan 8.150 nan 0.000 0.454 74 T N 0.458 115.018 114.554 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 1.531 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 1.745 177.870 176.117 0.015 0.000 1.189 75 I CA 1.114 62.421 61.300 0.013 0.000 1.462 75 I CB -0.896 37.115 38.000 0.017 0.000 1.092 75 I HN 0.247 nan 8.210 nan 0.000 0.442 76 L N -0.313 120.920 121.223 0.016 0.000 2.425 76 L HA 0.062 4.402 4.340 -0.000 0.000 0.215 76 L C 1.925 178.804 176.870 0.014 0.000 1.065 76 L CA 0.890 55.741 54.840 0.017 0.000 0.842 76 L CB -0.477 41.595 42.059 0.021 0.000 1.033 76 L HN 0.010 nan 8.230 nan 0.000 0.474 77 D N 0.177 120.585 120.400 0.013 0.000 2.097 77 D HA -0.117 4.523 4.640 -0.000 0.000 0.197 77 D C 1.804 178.109 176.300 0.009 0.000 0.984 77 D CA 1.025 55.031 54.000 0.010 0.000 0.826 77 D CB -0.010 40.795 40.800 0.009 0.000 0.973 77 D HN 0.067 nan 8.370 nan 0.000 0.460 78 K N -0.050 120.354 120.400 0.008 0.000 2.486 78 K HA 0.047 4.367 4.320 -0.000 0.000 0.194 78 K C 0.807 177.411 176.600 0.007 0.000 1.033 78 K CA -0.009 56.281 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 1.901 121.507 119.600 0.009 0.000 2.036 79 M HA 0.169 4.649 4.480 -0.000 0.000 0.337 79 M C -1.542 174.765 176.300 0.012 0.000 1.012 79 M CA -0.496 54.810 55.300 0.010 0.000 0.962 79 M CB 0.759 33.366 32.600 0.011 0.000 1.423 79 M HN -0.204 nan 8.290 nan 0.000 0.405 80 D N 4.897 125.304 120.400 0.011 0.000 2.383 80 D HA 0.366 5.006 4.640 -0.000 0.000 0.252 80 D C -0.933 175.377 176.300 0.017 0.000 1.166 80 D CA 0.205 54.213 54.000 0.013 0.000 0.879 80 D CB 0.750 41.557 40.800 0.011 0.000 1.164 80 D HN 0.443 nan 8.370 nan 0.000 0.462 81 L N 1.339 122.575 121.223 0.021 0.000 2.330 81 L HA 0.508 4.848 4.340 -0.000 0.000 0.271 81 L C 0.713 177.603 176.870 0.033 0.000 1.013 81 L CA -0.576 54.283 54.840 0.031 0.000 0.816 81 L CB 1.049 43.130 42.059 0.037 0.000 1.287 81 L HN 0.253 nan 8.230 nan 0.000 0.435 82 Q N -0.069 119.760 119.800 0.047 0.000 2.581 82 Q HA 0.062 4.402 4.340 -0.000 0.000 0.222 82 Q C -0.055 175.969 176.000 0.039 0.000 0.904 82 Q CA 0.225 56.050 55.803 0.036 0.000 0.923 82 Q CB 0.210 28.969 28.738 0.035 0.000 1.117 82 Q HN 0.884 nan 8.270 nan 0.000 0.618 83 H N 3.490 122.561 119.070 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 0.932 30.694 29.762 0.001 0.000 1.349 83 H HN 0.125 nan 8.280 nan 0.000 0.582 84 P HA -0.287 nan 4.420 nan 0.000 0.215 84 P C 1.160 178.419 177.300 -0.068 0.000 1.157 84 P CA 2.183 65.151 63.100 -0.219 0.000 0.874 84 P CB -0.085 31.449 31.700 -0.276 0.000 0.790 85 A N 1.013 123.844 122.820 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 3.115 55.230 52.037 0.131 0.000 0.637 85 A CB -1.746 17.416 19.000 0.270 0.000 0.827 85 A HN 0.288 nan 8.150 nan 0.000 0.450 86 A N -0.450 122.452 122.820 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 2.069 54.157 52.037 0.084 0.000 0.629 86 A CB -0.592 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 -1.102 119.320 120.400 0.036 0.000 2.152 87 K HA -0.136 4.183 4.320 -0.000 0.000 0.206 87 K C 1.848 178.460 176.600 0.021 0.000 1.048 87 K CA 1.297 57.596 56.287 0.021 0.000 0.933 87 K CB -0.342 32.161 32.500 0.005 0.000 0.721 87 K HN 0.392 nan 8.250 nan 0.000 0.447 88 L N 1.143 122.380 121.223 0.022 0.000 2.072 88 L HA -0.107 4.232 4.340 -0.000 0.000 0.205 88 L C 2.009 178.898 176.870 0.032 0.000 1.079 88 L CA 1.250 56.105 54.840 0.024 0.000 0.752 88 L CB -0.539 41.534 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 2.340 57.203 54.840 0.039 0.000 0.744 89 L CB -1.016 41.066 42.059 0.038 0.000 0.893 89 L HN 0.261 nan 8.230 nan 0.000 0.433 90 V N -1.802 118.133 119.914 0.034 0.000 2.469 90 V HA -0.335 3.785 4.120 -0.000 0.000 0.251 90 V C 2.388 178.499 176.094 0.029 0.000 1.064 90 V CA 2.128 64.447 62.300 0.031 0.000 1.066 90 V CB -1.447 30.393 31.823 0.028 0.000 0.667 90 V HN 0.786 nan 8.190 nan 0.000 0.461 91 Q N 0.320 120.136 119.800 0.027 0.000 2.124 91 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 91 Q C 2.196 178.214 176.000 0.029 0.000 0.977 91 Q CA 2.559 58.377 55.803 0.025 0.000 0.850 91 Q CB -0.204 28.547 28.738 0.022 0.000 0.901 91 Q HN 0.787 nan 8.270 nan 0.000 0.429 92 I N 0.271 120.861 120.570 0.033 0.000 2.406 92 I HA -0.150 4.020 4.170 -0.000 0.000 0.249 92 I C 2.425 178.566 176.117 0.040 0.000 1.122 92 I CA 0.684 62.007 61.300 0.038 0.000 1.431 92 I CB -0.441 37.585 38.000 0.044 0.000 1.087 92 I HN 0.223 nan 8.210 nan 0.000 0.424 93 A N 1.377 124.221 122.820 0.041 0.000 1.832 93 A HA -0.178 4.142 4.320 -0.000 0.000 0.214 93 A C 2.373 179.979 177.584 0.036 0.000 1.200 93 A CA 1.494 53.557 52.037 0.043 0.000 0.610 93 A CB -0.503 18.523 19.000 0.045 0.000 0.842 93 A HN 0.212 nan 8.150 nan 0.000 0.444 94 K N -0.808 119.611 120.400 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 1.174 57.478 56.287 0.027 0.000 0.939 94 K CB -0.692 31.822 32.500 0.023 0.000 0.721 94 K HN 0.433 nan 8.250 nan 0.000 0.441 95 G N 2.548 111.363 108.800 0.026 0.000 3.180 95 G HA2 -0.081 3.878 3.960 -0.000 0.000 0.252 95 G HA3 -0.081 3.878 3.960 -0.000 0.000 0.252 95 G C 0.261 175.178 174.900 0.029 0.000 0.871 95 G CA -0.035 45.081 45.100 0.026 0.000 1.979 95 G HN 0.303 nan 8.290 nan 0.000 0.624 96 Q N -0.488 119.330 119.800 0.030 0.000 2.669 96 Q HA 0.000 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 0.565 56.387 55.803 0.032 0.000 1.136 96 Q CB 0.267 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 -0.818 119.601 120.400 0.031 0.000 2.369 97 D HA 0.147 4.787 4.640 -0.000 0.000 0.211 97 D C -0.393 175.926 176.300 0.032 0.000 1.077 97 D CA 0.198 54.217 54.000 0.032 0.000 0.842 97 D CB 0.667 41.487 40.800 0.033 0.000 0.947 97 D HN 0.153 nan 8.370 nan 0.000 0.509 98 E N -1.024 119.193 120.200 0.028 0.000 2.269 98 E HA 0.205 4.555 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 0.714 30.429 29.700 0.025 0.000 1.811 98 E HN -0.283 nan 8.360 nan 0.000 0.472 99 E N 0.179 120.389 120.200 0.017 0.000 1.949 99 E HA -0.084 4.265 4.350 -0.000 0.000 0.205 99 E C 0.334 176.937 176.600 0.004 0.000 0.957 99 E CA 1.139 57.544 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 -0.011 114.541 114.554 -0.004 0.000 2.870 100 T HA -0.074 4.276 4.350 -0.000 0.000 0.311 100 T C 0.900 175.599 174.700 -0.001 0.000 1.052 100 T CA 0.561 62.657 62.100 -0.007 0.000 1.131 100 T CB 0.396 69.255 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 0.197 4.516 4.320 -0.000 0.000 0.209 101 A C 0.718 178.305 177.584 0.005 0.000 1.161 101 A CA 0.232 52.271 52.037 0.004 0.000 0.782 101 A CB -0.275 18.727 19.000 0.003 0.000 0.816 101 A HN 0.911 nan 8.150 nan 0.000 0.477 102 D N -1.233 119.164 120.400 -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 1.674 55.670 54.000 -0.008 0.000 0.889 102 D CB 0.330 41.115 40.800 -0.024 0.000 1.199 102 D HN 0.332 nan 8.370 nan 0.000 0.436 103 G N 0.514 109.323 108.800 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 1.059 46.183 45.100 0.040 0.000 0.625 103 G HN 0.645 nan 8.290 nan 0.000 0.532 104 T N -1.302 113.281 114.554 0.049 0.000 2.867 104 T HA 0.048 4.398 4.350 -0.000 0.000 0.268 104 T C 1.970 176.716 174.700 0.078 0.000 1.057 104 T CA 1.865 63.997 62.100 0.055 0.000 1.136 104 T CB -0.100 68.793 68.868 0.041 0.000 0.874 104 T HN 0.496 nan 8.240 nan 0.000 0.466 105 K N 0.829 121.284 120.400 0.092 0.000 2.097 105 K HA -0.077 4.243 4.320 -0.000 0.000 0.206 105 K C 2.349 179.074 176.600 0.208 0.000 1.049 105 K CA 1.518 57.888 56.287 0.138 0.000 0.933 105 K CB -0.383 32.203 32.500 0.143 0.000 0.717 105 K HN 0.352 nan 8.250 nan 0.000 0.442 106 T N 0.435 115.135 114.554 0.243 0.000 2.698 106 T HA -0.087 4.263 4.350 -0.000 0.000 0.260 106 T C 1.807 176.600 174.700 0.155 0.000 1.044 106 T CA 1.256 63.523 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 0.387 nan 8.240 nan 0.000 0.419 107 A N 0.981 123.869 122.820 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 2.382 54.482 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 0.373 nan 8.150 nan 0.000 0.462 108 V N 0.109 120.075 119.914 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 64.228 62.300 0.058 0.000 1.016 108 V CB -0.496 31.355 31.823 0.047 0.000 0.650 108 V HN 0.508 nan 8.190 nan 0.000 0.449 109 I N 0.119 120.701 120.570 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 2.444 63.709 61.300 -0.059 0.000 1.317 109 I CB -1.784 36.099 38.000 -0.195 0.000 1.031 109 I HN 0.477 nan 8.210 nan 0.000 0.401 110 F N 1.318 121.180 119.950 -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 0.019 nan 8.300 nan 0.000 0.485 111 S N -0.032 115.678 115.700 0.018 0.000 2.351 111 S HA -0.175 4.294 4.470 -0.000 0.000 0.220 111 S C 2.342 176.854 174.600 -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 1.011 109.746 108.800 -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 0.568 45.602 45.100 -0.111 0.000 0.766 112 G HN 0.479 nan 8.290 nan 0.000 0.552 113 E N -0.003 120.042 120.200 -0.260 0.000 2.106 113 E HA -0.040 4.310 4.350 -0.000 0.000 0.192 113 E C 2.574 178.960 176.600 -0.357 0.000 0.984 113 E CA 0.422 56.640 56.400 -0.302 0.000 0.806 113 E CB -0.165 29.319 29.700 -0.360 0.000 0.750 113 E HN 0.299 nan 8.360 nan 0.000 0.458 114 L N 0.344 121.257 121.223 -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 -0.993 40.655 42.059 -0.685 0.000 0.896 114 L HN -0.040 nan 8.230 nan 0.000 0.432 115 V N -0.652 119.199 119.914 -0.105 0.000 2.287 115 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 115 V C 2.464 178.534 176.094 -0.041 0.000 1.053 115 V CA 1.727 64.008 62.300 -0.033 0.000 1.027 115 V CB -0.711 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 0.156 120.510 120.400 -0.078 0.000 1.978 116 K HA -0.185 4.135 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 1.456 57.701 56.287 -0.068 0.000 0.939 116 K CB -0.343 32.104 32.500 -0.089 0.000 0.721 116 K HN 0.248 nan 8.250 nan 0.000 0.441 117 K N 0.448 120.809 120.400 -0.064 0.000 2.281 117 K HA -0.115 4.204 4.320 -0.000 0.000 0.203 117 K C 1.957 178.572 176.600 0.026 0.000 1.046 117 K CA 1.199 57.468 56.287 -0.030 0.000 0.938 117 K CB -0.224 32.244 32.500 -0.053 0.000 0.737 117 K HN 0.233 nan 8.250 nan 0.000 0.458 118 A N 0.898 123.749 122.820 0.052 0.000 1.970 118 A HA -0.109 4.211 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 0.994 53.052 52.037 0.034 0.000 0.645 118 A CB -0.210 18.814 19.000 0.039 0.000 0.816 118 A HN 0.370 nan 8.150 nan 0.000 0.447 119 E N 0.274 120.472 120.200 -0.004 0.000 2.085 119 E HA -0.225 4.124 4.350 -0.000 0.000 0.194 119 E C 0.968 177.585 176.600 0.028 0.000 0.994 119 E CA 1.342 57.744 56.400 0.003 0.000 0.801 119 E CB -0.104 29.590 29.700 -0.009 0.000 0.743 119 E HN 0.545 nan 8.360 nan 0.000 0.453 120 D N 0.329 120.736 120.400 0.011 0.000 2.263 120 D HA -0.154 4.486 4.640 -0.000 0.000 0.208 120 D C 1.834 178.178 176.300 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 40.913 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 -0.075 4.265 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 0.653 55.510 54.840 0.029 0.000 0.759 121 L CB -0.776 41.269 42.059 -0.022 0.000 0.914 121 L HN 0.101 nan 8.230 nan 0.000 0.439 122 L N -1.322 119.918 121.223 0.028 0.000 2.131 122 L HA -0.250 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 1.572 56.423 54.840 0.018 0.000 0.759 122 L CB -1.652 40.410 42.059 0.004 0.000 0.903 122 L HN 0.258 nan 8.230 nan 0.000 0.435 123 Y N 1.385 121.672 120.300 -0.023 0.000 2.224 123 Y HA -0.227 4.323 4.550 -0.000 0.000 0.289 123 Y C 2.338 178.231 175.900 -0.012 0.000 1.146 123 Y CA 1.659 59.749 58.100 -0.017 0.000 1.182 123 Y CB 0.011 38.462 38.460 -0.016 0.000 0.983 123 Y HN 0.080 nan 8.280 nan 0.000 0.524 124 K N 0.482 120.962 120.400 0.133 0.000 2.525 124 K HA -0.077 4.243 4.320 -0.000 0.000 0.192 124 K C -0.084 176.509 176.600 -0.012 0.000 1.029 124 K CA 0.937 57.258 56.287 0.057 0.000 1.029 124 K CB -0.184 32.366 32.500 0.084 0.000 0.814 124 K HN 0.310 nan 8.250 nan 0.000 0.503 125 D N 0.528 120.908 120.400 -0.032 0.000 2.760 125 D HA -0.131 4.509 4.640 -0.000 0.000 0.244 125 D C -1.064 175.236 176.300 0.000 0.000 1.123 125 D CA 0.413 54.395 54.000 -0.030 0.000 0.719 125 D CB -0.745 40.024 40.800 -0.052 0.000 1.045 125 D HN 0.062 nan 8.370 nan 0.000 0.426 126 V N 0.149 120.068 119.914 0.008 0.000 2.378 126 V HA 0.589 4.709 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 -1.029 61.283 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 -1.308 173.991 175.328 -0.048 0.000 0.972 127 H CA 0.008 56.034 56.048 -0.036 0.000 1.384 127 H CB 1.241 30.986 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 1.424 178.571 177.300 -0.256 0.000 1.146 128 P CA 1.537 64.442 63.100 -0.325 0.000 0.808 128 P CB 0.192 31.693 31.700 -0.333 0.000 0.779 129 T N -0.674 113.717 114.554 -0.271 0.000 2.833 129 T HA -0.076 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 0.835 62.932 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 -0.132 nan 8.240 nan 0.000 0.466 130 I N 0.855 121.436 120.570 0.019 0.000 2.277 130 I HA 0.003 4.173 4.170 -0.000 0.000 0.243 130 I C 2.313 178.382 176.117 -0.080 0.000 1.094 130 I CA 1.052 62.349 61.300 -0.005 0.000 1.393 130 I CB -1.171 36.838 38.000 0.016 0.000 1.078 130 I HN 0.331 nan 8.210 nan 0.000 0.417 131 I N 0.707 121.181 120.570 -0.160 0.000 2.423 131 I HA -0.287 3.882 4.170 -0.000 0.000 0.254 131 I C 2.466 178.338 176.117 -0.407 0.000 1.151 131 I CA 0.978 62.073 61.300 -0.342 0.000 1.421 131 I CB -0.257 37.495 38.000 -0.412 0.000 1.079 131 I HN 0.133 nan 8.210 nan 0.000 0.431 132 I N 0.402 120.856 120.570 -0.193 0.000 2.163 132 I HA -0.207 3.963 4.170 -0.000 0.000 0.240 132 I C 2.668 178.807 176.117 0.036 0.000 1.081 132 I CA 1.491 62.755 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 59.528 58.200 0.050 0.000 1.011 133 S CB -0.871 62.349 63.200 0.033 0.000 0.852 133 S HN 0.619 nan 8.310 nan 0.000 0.457 134 G N 0.513 109.336 108.800 0.037 0.000 2.514 134 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 134 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 134 G C 1.178 176.224 174.900 0.244 0.000 1.198 134 G CA 0.863 46.008 45.100 0.076 0.000 0.780 134 G HN 0.575 nan 8.290 nan 0.000 0.565 135 Y N 0.570 120.953 120.300 0.139 0.000 2.165 135 Y HA -0.169 4.381 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 1.122 59.395 58.100 0.287 0.000 1.164 135 Y CB -0.038 38.608 38.460 0.310 0.000 0.978 135 Y HN 0.097 nan 8.280 nan 0.000 0.513 136 K N 0.999 121.566 120.400 0.279 0.000 1.978 136 K HA -0.179 4.141 4.320 -0.000 0.000 0.214 136 K C 1.794 178.456 176.600 0.102 0.000 1.049 136 K CA 1.649 58.037 56.287 0.168 0.000 0.939 136 K CB -0.321 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 2.107 178.777 176.600 0.118 0.000 1.047 137 K CA 1.400 57.761 56.287 0.123 0.000 0.928 137 K CB -0.229 32.351 32.500 0.133 0.000 0.716 137 K HN 0.198 nan 8.250 nan 0.000 0.446 138 A N 1.535 124.339 122.820 -0.027 0.000 1.930 138 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 138 A C 2.108 179.421 177.584 -0.453 0.000 1.175 138 A CA 1.418 53.295 52.037 -0.266 0.000 0.627 138 A CB -0.370 18.292 19.000 -0.564 0.000 0.815 138 A HN 0.400 nan 8.150 nan 0.000 0.443 139 E N -0.200 119.769 120.200 -0.385 0.000 2.058 139 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 139 E C 1.794 178.352 176.600 -0.070 0.000 0.997 139 E CA 1.309 57.602 56.400 -0.179 0.000 0.801 139 E CB -0.133 29.607 29.700 0.066 0.000 0.746 139 E HN 0.511 nan 8.360 nan 0.000 0.450 140 E N 0.360 120.549 120.200 -0.020 0.000 2.045 140 E HA -0.234 4.116 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 1.618 58.015 56.400 -0.006 0.000 0.860 140 E CB -0.777 28.931 29.700 0.013 0.000 0.776 140 E HN 0.229 nan 8.360 nan 0.000 0.467 141 V N 1.777 121.665 119.914 -0.043 0.000 2.252 141 V HA -0.307 3.813 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 2.223 64.477 62.300 -0.076 0.000 1.022 141 V CB -1.162 30.622 31.823 -0.064 0.000 0.641 141 V HN 0.345 nan 8.190 nan 0.000 0.445 142 A N -0.489 122.294 122.820 -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 2.397 54.410 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 0.438 nan 8.150 nan 0.000 0.453 143 L N 0.164 121.374 121.223 -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 -0.927 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 -2.148 117.644 119.800 -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 2.012 57.806 55.803 -0.014 0.000 0.876 144 Q CB -0.987 27.731 28.738 -0.032 0.000 0.921 144 Q HN 0.437 nan 8.270 nan 0.000 0.446 145 T N 0.999 115.544 114.554 -0.014 0.000 3.007 145 T HA 0.014 4.364 4.350 -0.000 0.000 0.270 145 T C 1.567 176.278 174.700 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 0.088 120.678 120.570 0.033 0.000 2.731 146 I HA -0.032 4.137 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 0.577 61.918 61.300 0.068 0.000 1.461 146 I CB -0.204 37.834 38.000 0.063 0.000 1.128 146 I HN 0.179 nan 8.210 nan 0.000 0.438 147 Q N 1.472 121.299 119.800 0.044 0.000 1.942 147 Q HA -0.220 4.119 4.340 -0.000 0.000 0.203 147 Q C 1.118 177.141 176.000 0.038 0.000 0.987 147 Q CA 1.644 57.472 55.803 0.041 0.000 0.844 147 Q CB -0.347 28.405 28.738 0.024 0.000 0.911 147 Q HN 0.558 nan 8.270 nan 0.000 0.423 148 E N 0.677 120.886 120.200 0.016 0.000 2.888 148 E HA -0.010 4.340 4.350 -0.000 0.000 0.271 148 E C 0.836 177.433 176.600 -0.004 0.000 1.527 148 E CA 0.154 56.555 56.400 0.001 0.000 1.700 148 E CB -0.142 29.548 29.700 -0.017 0.000 1.410 148 E HN 0.343 nan 8.360 nan 0.000 0.445 149 L N -1.091 120.149 121.223 0.028 0.000 3.705 149 L HA 0.263 4.602 4.340 -0.000 0.000 0.382 149 L C 0.311 177.273 176.870 0.153 0.000 0.971 149 L CA 0.283 55.134 54.840 0.019 0.000 1.566 149 L CB 0.023 42.084 42.059 0.003 0.000 2.300 149 L HN 0.229 nan 8.230 nan 0.000 0.609 150 A N 1.104 124.037 122.820 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 52.546 52.037 0.262 0.000 0.774 150 A CB 0.276 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 0.043 119.998 119.800 0.258 0.000 2.274 151 Q HA 0.352 4.692 4.340 -0.000 0.000 0.260 151 Q C -0.714 175.374 176.000 0.146 0.000 0.974 151 Q CA -0.486 55.424 55.803 0.179 0.000 0.876 151 Q CB 1.663 30.476 28.738 0.125 0.000 1.297 151 Q HN 0.749 nan 8.270 nan 0.000 0.446 152 T N 1.640 116.254 114.554 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 0.178 69.078 68.868 0.054 0.000 0.875 152 T HN 0.253 nan 8.240 nan 0.000 0.532 153 V N 3.798 123.744 119.914 0.053 0.000 2.459 153 V HA 0.687 4.807 4.120 -0.000 0.000 0.295 153 V C -0.211 175.863 176.094 -0.033 0.000 1.029 153 V CA -0.397 61.919 62.300 0.026 0.000 0.874 153 V CB 1.985 33.812 31.823 0.006 0.000 0.985 153 V HN 0.837 nan 8.190 nan 0.000 0.438 154 S N 5.039 120.716 115.700 -0.038 0.000 2.482 154 S HA 0.420 4.889 4.470 -0.000 0.000 0.303 154 S C 0.844 175.374 174.600 -0.116 0.000 1.091 154 S CA -0.641 57.512 58.200 -0.079 0.000 1.057 154 S CB 1.498 64.689 63.200 -0.016 0.000 1.031 154 S HN 0.875 nan 8.310 nan 0.000 0.485 155 I N 4.384 124.817 120.570 -0.228 0.000 2.761 155 I HA -0.225 3.945 4.170 -0.000 0.000 0.266 155 I C 0.999 177.060 176.117 -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 0.892 119.569 118.700 -0.038 0.000 2.106 156 N HA -0.164 4.576 4.740 -0.000 0.000 0.188 156 N C 0.738 176.243 175.510 -0.008 0.000 1.029 156 N CA 0.932 53.986 53.050 0.006 0.000 0.848 156 N CB -0.315 38.189 38.487 0.028 0.000 1.007 156 N HN 0.269 nan 8.380 nan 0.000 0.423 157 D N 0.345 120.735 120.400 -0.016 0.000 2.385 157 D HA -0.049 4.591 4.640 -0.000 0.000 0.260 157 D C 0.664 176.944 176.300 -0.034 0.000 1.326 157 D CA 0.357 54.349 54.000 -0.014 0.000 1.023 157 D CB 0.322 41.120 40.800 -0.003 0.000 1.083 157 D HN 0.123 nan 8.370 nan 0.000 0.517 158 T N 1.923 116.461 114.554 -0.028 0.000 3.023 158 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 158 T C 1.313 175.986 174.700 -0.044 0.000 1.093 158 T CA 0.871 62.949 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 0.265 nan 8.240 nan 0.000 0.491 159 D N -0.210 120.167 120.400 -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 -0.504 120.673 121.223 -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 -0.408 41.590 42.059 -0.101 0.000 0.936 160 L HN -0.003 nan 8.230 nan 0.000 0.451 161 L N -0.143 121.010 121.223 -0.118 0.000 2.187 161 L HA -0.139 4.201 4.340 -0.000 0.000 0.213 161 L C 2.597 179.402 176.870 -0.108 0.000 1.100 161 L CA 1.276 56.046 54.840 -0.117 0.000 0.765 161 L CB -1.003 40.997 42.059 -0.098 0.000 0.904 161 L HN 0.250 nan 8.230 nan 0.000 0.437 162 R N 0.192 120.634 120.500 -0.097 0.000 2.127 162 R HA -0.167 4.172 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 1.591 57.640 56.100 -0.085 0.000 0.975 162 R CB -0.092 30.163 30.300 -0.075 0.000 0.865 162 R HN 0.369 nan 8.270 nan 0.000 0.447 163 K N -0.559 119.757 120.400 -0.140 0.000 2.056 163 K HA 0.103 4.423 4.320 -0.000 0.000 0.205 163 K C 2.054 178.551 176.600 -0.172 0.000 1.035 163 K CA 1.296 57.482 56.287 -0.169 0.000 0.955 163 K CB -0.250 32.110 32.500 -0.234 0.000 0.769 163 K HN 0.052 nan 8.250 nan 0.000 0.447 164 I N 2.022 122.472 120.570 -0.199 0.000 2.285 164 I HA -0.372 3.798 4.170 -0.000 0.000 0.253 164 I C 2.492 178.531 176.117 -0.130 0.000 1.104 164 I CA 1.352 62.543 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 0.797 123.551 122.820 -0.110 0.000 1.873 165 A HA -0.167 4.153 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 1.509 53.496 52.037 -0.082 0.000 0.616 165 A CB -0.496 18.464 19.000 -0.067 0.000 0.823 165 A HN 0.347 nan 8.150 nan 0.000 0.442 166 M N -0.678 118.873 119.600 -0.082 0.000 2.159 166 M HA -0.111 4.369 4.480 -0.000 0.000 0.263 166 M C 1.961 178.213 176.300 -0.079 0.000 1.063 166 M CA 1.785 57.041 55.300 -0.073 0.000 1.110 166 M CB -0.895 31.658 32.600 -0.078 0.000 1.374 166 M HN 0.331 nan 8.290 nan 0.000 0.411 167 T N -0.182 114.311 114.554 -0.103 0.000 2.969 167 T HA -0.119 4.231 4.350 -0.000 0.000 0.271 167 T C 1.900 176.548 174.700 -0.087 0.000 1.127 167 T CA 1.620 63.657 62.100 -0.105 0.000 1.102 167 T CB -0.169 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 -0.099 63.063 63.200 -0.063 0.000 0.826 168 S HN 0.372 nan 8.310 nan 0.000 0.557 169 L N 1.030 122.224 121.223 -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 1.466 56.285 54.840 -0.036 0.000 0.779 169 L CB -1.466 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 -0.152 115.527 115.700 -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 1.324 59.511 58.200 -0.022 0.000 0.972 170 S CB -0.528 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 0.580 116.264 115.700 -0.026 0.000 2.402 171 S HA -0.018 4.452 4.470 -0.000 0.000 0.229 171 S C 0.893 175.479 174.600 -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 0.810 121.197 120.400 -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 0.434 56.709 56.287 -0.019 0.000 0.899 172 K CB -0.187 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 0.965 123.776 122.820 -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 1.622 53.652 52.037 -0.013 0.000 0.639 173 A CB -0.837 18.154 19.000 -0.014 0.000 0.835 173 A HN 0.372 nan 8.150 nan 0.000 0.450 174 V N 0.645 120.547 119.914 -0.019 0.000 2.456 174 V HA 0.185 4.305 4.120 -0.000 0.000 0.247 174 V C 1.209 177.291 176.094 -0.021 0.000 1.056 174 V CA 0.715 63.001 62.300 -0.024 0.000 1.203 174 V CB -0.354 31.450 31.823 -0.033 0.000 1.185 174 V HN 0.609 nan 8.190 nan 0.000 0.477 175 A N 3.940 126.751 122.820 -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 0.343 52.374 52.037 -0.008 0.000 0.932 175 A CB 0.131 19.137 19.000 0.010 0.000 1.037 175 A HN 0.744 nan 8.150 nan 0.000 0.522 176 G N -1.139 107.647 108.800 -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 0.781 175.662 174.900 -0.030 0.000 1.248 176 G CA 0.061 45.145 45.100 -0.026 0.000 0.838 176 G HN 1.508 nan 8.290 nan 0.000 0.566 177 A N 1.549 124.359 122.820 -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 1.115 57.222 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 0.927 121.149 120.200 0.037 0.000 2.130 179 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 179 E C 1.621 178.265 176.600 0.072 0.000 0.998 179 E CA 1.245 57.662 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 1.221 121.500 120.300 -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 38.118 38.460 -0.028 0.000 0.975 180 Y HN -0.022 nan 8.280 nan 0.000 0.498 181 I N 0.070 120.802 120.570 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 0.892 123.734 122.820 0.036 0.000 1.873 182 A HA -0.293 4.027 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 2.266 54.300 52.037 -0.004 0.000 0.629 182 A CB -0.928 18.061 19.000 -0.019 0.000 0.826 182 A HN 0.457 nan 8.150 nan 0.000 0.447 183 D N -0.151 120.240 120.400 -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 1.637 55.616 54.000 -0.036 0.000 0.836 183 D CB -0.160 40.604 40.800 -0.061 0.000 0.951 183 D HN 0.276 nan 8.370 nan 0.000 0.449 184 I N 1.161 121.719 120.570 -0.020 0.000 2.091 184 I HA -0.261 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 0.662 61.952 61.300 -0.017 0.000 1.317 184 I CB -1.477 36.533 38.000 0.017 0.000 1.031 184 I HN -0.007 nan 8.210 nan 0.000 0.401 185 V N 0.788 120.696 119.914 -0.010 0.000 2.317 185 V HA -0.298 3.822 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 1.721 64.011 62.300 -0.017 0.000 1.049 185 V CB -0.799 31.012 31.823 -0.021 0.000 0.651 185 V HN 0.223 nan 8.190 nan 0.000 0.450 186 V N -0.349 119.549 119.914 -0.027 0.000 2.261 186 V HA -0.284 3.836 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 2.284 64.566 62.300 -0.030 0.000 1.015 186 V CB -0.754 31.047 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 -0.162 4.158 4.320 -0.000 0.000 0.208 187 K C 2.322 178.948 176.600 0.045 0.000 1.048 187 K CA 1.532 57.838 56.287 0.031 0.000 0.928 187 K CB -0.527 32.001 32.500 0.046 0.000 0.713 187 K HN 0.466 nan 8.250 nan 0.000 0.442 188 A N 1.125 123.956 122.820 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 1.734 53.781 52.037 0.015 0.000 0.631 188 A CB -0.590 18.403 19.000 -0.011 0.000 0.814 188 A HN 0.095 nan 8.150 nan 0.000 0.446 189 V N 0.049 119.968 119.914 0.009 0.000 2.331 189 V HA -0.168 3.951 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 0.756 nan 8.190 nan 0.000 0.457 190 T N -1.012 113.558 114.554 0.026 0.000 2.869 190 T HA -0.353 3.997 4.350 -0.000 0.000 0.270 190 T C 1.752 176.507 174.700 0.091 0.000 1.082 190 T CA 1.984 64.116 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 0.907 120.756 119.800 0.080 0.000 2.119 191 Q HA 0.023 4.362 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 1.383 57.242 55.803 0.093 0.000 0.847 191 Q CB -0.343 28.468 28.738 0.121 0.000 0.903 191 Q HN 0.533 nan 8.270 nan 0.000 0.433 192 V N 0.407 120.364 119.914 0.072 0.000 3.052 192 V HA 0.245 4.365 4.120 -0.000 0.000 0.254 192 V C 1.066 177.207 176.094 0.078 0.000 1.100 192 V CA 0.367 62.702 62.300 0.057 0.000 1.112 192 V CB -1.026 30.812 31.823 0.024 0.000 0.738 192 V HN 0.405 nan 8.190 nan 0.000 0.469 193 A N 0.868 123.767 122.820 0.132 0.000 2.583 193 A HA 0.180 4.500 4.320 -0.000 0.000 0.231 193 A C 0.345 178.058 177.584 0.215 0.000 1.065 193 A CA 0.759 52.949 52.037 0.256 0.000 0.760 193 A CB 0.015 19.273 19.000 0.429 0.000 1.001 193 A HN 0.616 nan 8.150 nan 0.000 0.509 194 E N -0.751 119.562 120.200 0.188 0.000 2.458 194 E HA 0.533 4.882 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 1.581 122.536 121.223 -0.448 0.000 2.732 195 L HA 0.301 4.641 4.340 -0.000 0.000 0.246 195 L C -0.191 176.513 176.870 -0.277 0.000 1.407 195 L CA -0.032 54.447 54.840 -0.603 0.000 0.861 195 L CB 0.268 41.876 42.059 -0.751 0.000 1.161 195 L HN 0.221 nan 8.230 nan 0.000 0.510 196 R N 1.603 122.019 120.500 -0.140 0.000 3.097 196 R HA 0.352 4.692 4.340 -0.000 0.000 0.212 196 R C 0.786 177.038 176.300 -0.080 0.000 1.651 196 R CA 0.389 56.442 56.100 -0.077 0.000 1.134 196 R CB -0.439 29.841 30.300 -0.033 0.000 1.241 196 R HN 0.622 nan 8.270 nan 0.000 0.640 197 G N 3.280 112.025 108.800 -0.092 0.000 2.546 197 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.285 197 G HA3 -0.280 3.679 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 -0.013 45.047 45.100 -0.068 0.000 1.189 197 G HN 0.967 nan 8.290 nan 0.000 0.534 198 D N -1.647 118.692 120.400 -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 2.106 56.059 54.000 -0.079 0.000 0.810 198 D CB -0.771 40.020 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 -0.614 176.048 176.600 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 32.911 32.500 0.055 0.000 1.249 199 K HN 0.092 nan 8.250 nan 0.000 0.489 200 W N 2.230 123.575 121.300 0.075 0.000 2.345 200 W HA -0.106 4.554 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 0.624 58.029 57.345 0.100 0.000 1.327 200 W CB 0.062 29.562 29.460 0.066 0.000 1.187 200 W HN 0.409 nan 8.180 nan 0.000 0.588 201 Y N 1.858 122.302 120.300 0.241 0.000 2.325 201 Y HA 0.421 4.971 4.550 -0.000 0.000 0.336 201 Y C -1.279 174.706 175.900 0.140 0.000 1.130 201 Y CA -1.474 56.714 58.100 0.147 0.000 1.264 201 Y CB 0.329 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 5.250 125.061 119.914 -0.171 0.000 2.385 202 V HA 0.210 4.330 4.120 -0.000 0.000 0.269 202 V C -0.436 175.401 176.094 -0.428 0.000 1.043 202 V CA -0.371 61.811 62.300 -0.198 0.000 0.906 202 V CB 1.309 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 4.054 124.214 120.400 -0.400 0.000 2.412 203 D HA 0.369 5.009 4.640 -0.000 0.000 0.224 203 D C 0.791 177.003 176.300 -0.147 0.000 1.093 203 D CA -0.502 53.292 54.000 -0.343 0.000 0.850 203 D CB 1.447 42.078 40.800 -0.282 0.000 1.046 203 D HN 0.259 nan 8.370 nan 0.000 0.507 204 L N 2.899 124.056 121.223 -0.110 0.000 2.129 204 L HA -0.137 4.203 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 56.140 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 -0.214 120.168 120.400 -0.031 0.000 2.271 205 D HA -0.198 4.441 4.640 -0.000 0.000 0.207 205 D C 1.291 177.588 176.300 -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 40.400 40.800 -0.001 0.000 0.920 205 D HN 0.583 nan 8.370 nan 0.000 0.479 206 N N 0.012 118.706 118.700 -0.010 0.000 2.501 206 N HA 0.062 4.802 4.740 -0.000 0.000 0.195 206 N C 0.011 175.526 175.510 0.009 0.000 1.213 206 N CA 0.072 53.124 53.050 0.004 0.000 0.864 206 N CB 0.568 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 0.676 121.247 120.570 0.001 0.000 2.478 207 I HA 0.137 4.307 4.170 -0.000 0.000 0.287 207 I C -0.560 175.557 176.117 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 5.780 125.583 119.800 0.005 0.000 2.235 208 Q HA 0.644 4.983 4.340 -0.000 0.000 0.256 208 Q C -1.593 174.408 176.000 0.003 0.000 0.951 208 Q CA -0.708 55.098 55.803 0.005 0.000 0.890 208 Q CB 2.178 30.922 28.738 0.010 0.000 1.279 208 Q HN 0.546 nan 8.270 nan 0.000 0.444 209 I N 3.743 124.313 120.570 0.001 0.000 2.439 209 I HA 0.249 4.419 4.170 -0.000 0.000 0.283 209 I C -0.720 175.397 176.117 -0.000 0.000 1.023 209 I CA -0.563 60.737 61.300 -0.000 0.000 1.100 209 I CB 1.728 39.725 38.000 -0.004 0.000 1.238 209 I HN 0.369 nan 8.210 nan 0.000 0.445 210 V N 3.498 123.415 119.914 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 2.337 122.735 120.400 -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 1.773 122.170 120.400 -0.005 0.000 2.553 212 K HA 0.414 4.733 4.320 -0.000 0.000 0.250 212 K C -0.563 176.033 176.600 -0.007 0.000 0.953 212 K CA -0.542 55.741 56.287 -0.007 0.000 0.800 212 K CB 2.151 34.648 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 0.561 178.140 177.584 -0.009 0.000 1.127 213 A CA 1.333 53.363 52.037 -0.012 0.000 0.822 213 A CB -0.303 18.690 19.000 -0.011 0.000 1.069 213 A HN 1.001 nan 8.150 nan 0.000 0.522 214 G N -1.843 106.949 108.800 -0.012 0.000 2.931 214 G HA2 0.581 4.540 3.960 -0.000 0.000 0.675 214 G HA3 0.581 4.540 3.960 -0.000 0.000 0.675 214 G C 0.766 175.656 174.900 -0.017 0.000 1.339 214 G CA 0.234 45.327 45.100 -0.010 0.000 0.866 214 G HN 2.899 nan 8.290 nan 0.000 0.616 215 G N 1.054 109.844 108.800 -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 1.275 46.362 45.100 -0.022 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 1.672 176.211 174.600 -0.102 0.000 1.152 216 S CA -0.097 58.061 58.200 -0.069 0.000 1.010 216 S CB 1.226 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 0.933 121.422 120.570 -0.135 0.000 2.676 217 I HA -0.084 4.086 4.170 -0.000 0.000 0.259 217 I C 1.335 177.244 176.117 -0.345 0.000 1.194 217 I CA 0.638 61.827 61.300 -0.186 0.000 1.473 217 I CB -0.890 37.010 38.000 -0.166 0.000 1.096 217 I HN 0.557 nan 8.210 nan 0.000 0.443 218 N N 0.901 119.370 118.700 -0.384 0.000 2.453 218 N HA -0.133 4.606 4.740 -0.000 0.000 0.183 218 N C 0.826 176.123 175.510 -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 0.231 176.518 176.300 -0.021 0.000 1.122 219 D CA 0.366 54.338 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 -2.000 112.517 114.554 -0.062 0.000 2.907 220 T HA 0.551 4.900 4.350 -0.000 0.000 0.284 220 T C -0.181 174.591 174.700 0.120 0.000 1.004 220 T CA -0.742 61.360 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 0.993 120.841 119.800 0.080 0.000 2.534 221 Q HA 0.591 4.931 4.340 -0.000 0.000 0.290 221 Q C -1.748 174.242 176.000 -0.017 0.000 0.991 221 Q CA -1.175 54.664 55.803 0.060 0.000 0.783 221 Q CB 2.034 30.785 28.738 0.021 0.000 1.470 221 Q HN 0.904 nan 8.270 nan 0.000 0.406 222 L N -0.256 120.910 121.223 -0.095 0.000 2.309 222 L HA 0.842 5.182 4.340 -0.000 0.000 0.282 222 L C -1.105 175.575 176.870 -0.317 0.000 1.036 222 L CA -0.927 53.802 54.840 -0.185 0.000 0.806 222 L CB 1.557 43.475 42.059 -0.235 0.000 1.220 222 L HN 0.275 nan 8.230 nan 0.000 0.429 223 V N 3.396 123.158 119.914 -0.254 0.000 2.435 223 V HA 0.227 4.346 4.120 -0.000 0.000 0.290 223 V C -0.381 175.560 176.094 -0.256 0.000 1.030 223 V CA -0.311 61.846 62.300 -0.237 0.000 0.881 223 V CB 1.265 33.059 31.823 -0.050 0.000 0.983 223 V HN 0.630 nan 8.190 nan 0.000 0.445 224 Y N 3.572 123.872 120.300 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 -0.101 38.359 38.460 -0.001 0.000 2.096 224 Y HN 0.850 nan 8.280 nan 0.000 0.423 225 G N -0.848 108.024 108.800 0.121 0.000 2.322 225 G HA2 0.269 4.229 3.960 -0.000 0.000 0.295 225 G HA3 0.269 4.229 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 -0.362 60.981 61.300 0.071 0.000 1.417 226 I CB 0.975 39.003 38.000 0.046 0.000 1.382 226 I HN 0.178 nan 8.210 nan 0.000 0.588 227 V N 6.258 126.213 119.914 0.069 0.000 2.482 227 V HA 0.271 4.390 4.120 -0.000 0.000 0.295 227 V C -0.113 175.940 176.094 -0.069 0.000 1.026 227 V CA -0.718 61.601 62.300 0.032 0.000 0.856 227 V CB 1.998 33.894 31.823 0.121 0.000 1.001 227 V HN 0.424 nan 8.190 nan 0.000 0.424 228 V N 3.432 123.265 119.914 -0.135 0.000 2.348 228 V HA 0.241 4.361 4.120 -0.000 0.000 0.270 228 V C 0.221 176.218 176.094 -0.161 0.000 1.037 228 V CA -0.345 61.884 62.300 -0.118 0.000 0.872 228 V CB 1.433 33.203 31.823 -0.089 0.000 1.002 228 V HN 0.948 nan 8.190 nan 0.000 0.464 229 D N 5.252 125.583 120.400 -0.115 0.000 2.470 229 D HA 0.304 4.944 4.640 -0.000 0.000 0.226 229 D C -0.119 176.132 176.300 -0.082 0.000 1.196 229 D CA 0.179 54.114 54.000 -0.108 0.000 0.979 229 D CB 0.015 40.772 40.800 -0.071 0.000 1.059 229 D HN 0.329 nan 8.370 nan 0.000 0.515 230 K N 2.724 123.068 120.400 -0.093 0.000 2.577 230 K HA 0.056 4.376 4.320 -0.000 0.000 0.267 230 K C -1.088 175.471 176.600 -0.068 0.000 0.979 230 K CA -0.531 55.717 56.287 -0.065 0.000 0.942 230 K CB 1.174 33.645 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 0.359 176.940 176.600 -0.030 0.000 1.063 231 E CA -0.363 56.010 56.400 -0.044 0.000 0.944 231 E CB 0.727 30.408 29.700 -0.032 0.000 0.950 231 E HN 0.352 nan 8.360 nan 0.000 0.444 232 V N 1.916 121.816 119.914 -0.023 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 0.079 62.377 62.300 -0.005 0.000 1.194 232 V CB 1.047 32.872 31.823 0.003 0.000 1.027 232 V HN 0.716 nan 8.190 nan 0.000 0.492 233 V N 0.792 120.727 119.914 0.035 0.000 2.407 233 V HA 0.066 4.186 4.120 -0.000 0.000 0.245 233 V C 0.885 177.049 176.094 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 31.338 31.823 0.055 0.000 0.671 233 V HN 1.147 nan 8.190 nan 0.000 0.455 234 H N -0.187 118.885 119.070 0.003 0.000 2.717 234 H HA 0.477 5.033 4.556 -0.000 0.000 0.366 234 H C -2.063 173.268 175.328 0.005 0.000 1.132 234 H CA -1.746 54.305 56.048 0.006 0.000 1.180 234 H CB 2.386 32.155 29.762 0.012 0.000 1.678 234 H HN -0.086 nan 8.280 nan 0.000 0.537 235 P HA 0.004 nan 4.420 nan 0.000 0.223 235 P C 0.801 177.947 177.300 -0.256 0.000 1.151 235 P CA 1.077 63.978 63.100 -0.332 0.000 0.787 235 P CB 0.189 31.699 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 0.275 4.234 3.960 -0.000 0.000 0.253 236 G HA3 0.275 4.234 3.960 -0.000 0.000 0.253 236 G C 0.401 175.378 174.900 0.129 0.000 1.262 236 G CA -0.188 44.932 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 2.274 34.927 32.600 0.090 0.000 1.717 237 M HN -0.259 nan 8.290 nan 0.000 0.470 238 P HA 0.053 nan 4.420 nan 0.000 0.261 238 P C -0.644 176.675 177.300 0.031 0.000 1.203 238 P CA 0.301 63.421 63.100 0.033 0.000 0.767 238 P CB 0.195 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 0.458 177.082 176.600 0.039 0.000 1.035 239 K CA 0.075 56.379 56.287 0.028 0.000 1.188 239 K CB 0.259 32.771 32.500 0.021 0.000 0.894 239 K HN 0.331 nan 8.250 nan 0.000 0.497 240 R N 1.171 121.695 120.500 0.039 0.000 3.270 240 R HA 0.108 4.448 4.340 -0.000 0.000 0.299 240 R C -1.931 174.393 176.300 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 0.127 177.023 176.870 0.043 0.000 1.024 241 L CA -0.724 54.142 54.840 0.043 0.000 0.810 241 L CB 1.614 43.701 42.059 0.046 0.000 1.240 241 L HN 0.635 nan 8.230 nan 0.000 0.427 242 E N 2.322 122.543 120.200 0.036 0.000 2.259 242 E HA 0.175 4.525 4.350 -0.000 0.000 0.281 242 E C 0.048 176.670 176.600 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 0.491 nan 8.360 nan 0.000 0.401 243 N N 2.125 120.847 118.700 0.038 0.000 2.586 243 N HA -0.252 4.488 4.740 -0.000 0.000 0.282 243 N C -1.632 173.919 175.510 0.068 0.000 1.171 243 N CA 0.788 53.863 53.050 0.042 0.000 0.733 243 N CB -0.602 37.896 38.487 0.018 0.000 0.910 243 N HN 0.479 nan 8.380 nan 0.000 0.548 244 A N 3.081 125.954 122.820 0.087 0.000 2.271 244 A HA 0.648 4.968 4.320 -0.000 0.000 0.288 244 A C 0.176 177.853 177.584 0.156 0.000 1.094 244 A CA -0.389 51.707 52.037 0.099 0.000 0.828 244 A CB 0.753 19.800 19.000 0.078 0.000 1.091 244 A HN 0.512 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 -1.109 175.501 176.600 0.017 0.000 1.071 245 K CA -0.027 56.339 56.287 0.131 0.000 0.999 245 K CB 0.754 33.365 32.500 0.186 0.000 1.244 245 K HN 0.668 nan 8.250 nan 0.000 0.594 246 I N 1.783 122.349 120.570 -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 0.440 61.726 61.300 -0.023 0.000 1.435 246 I CB 0.499 38.488 38.000 -0.019 0.000 1.339 246 I HN 0.458 nan 8.210 nan 0.000 0.583 247 A N 7.775 130.575 122.820 -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 0.346 19.331 19.000 -0.025 0.000 1.134 247 A HN 0.501 nan 8.150 nan 0.000 0.471 248 L N 4.240 125.442 121.223 -0.035 0.000 2.505 248 L HA 0.147 4.487 4.340 -0.000 0.000 0.279 248 L C -0.152 176.704 176.870 -0.025 0.000 1.211 248 L CA 0.490 55.313 54.840 -0.027 0.000 1.059 248 L CB -0.898 41.145 42.059 -0.027 0.000 1.340 248 L HN 0.472 nan 8.230 nan 0.000 0.447 249 I N 2.409 122.966 120.570 -0.022 0.000 2.291 249 I HA 0.131 4.301 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 -0.287 61.000 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 7.001 127.390 120.400 -0.018 0.000 2.467 250 D HA 0.670 5.310 4.640 -0.000 0.000 0.220 250 D C -0.499 175.792 176.300 -0.015 0.000 1.103 250 D CA -0.005 53.985 54.000 -0.015 0.000 0.886 250 D CB 0.801 41.593 40.800 -0.013 0.000 1.025 250 D HN 0.718 nan 8.370 nan 0.000 0.514 251 A N 1.951 124.761 122.820 -0.017 0.000 2.481 251 A HA 0.450 4.770 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 -0.593 51.434 52.037 -0.017 0.000 0.617 251 A CB -0.066 18.924 19.000 -0.018 0.000 1.364 251 A HN 0.467 nan 8.150 nan 0.000 0.452 252 S N -0.234 115.455 115.700 -0.018 0.000 2.525 252 S HA 0.395 4.864 4.470 -0.000 0.000 0.285 252 S C -0.159 174.425 174.600 -0.027 0.000 1.283 252 S CA 0.230 58.418 58.200 -0.020 0.000 1.072 252 S CB 0.706 63.896 63.200 -0.017 0.000 0.867 252 S HN 1.879 nan 8.310 nan 0.000 0.492 253 L N 2.706 123.911 121.223 -0.029 0.000 2.783 253 L HA 0.431 4.771 4.340 -0.000 0.000 0.265 253 L C -0.457 176.388 176.870 -0.041 0.000 1.398 253 L CA -0.069 54.748 54.840 -0.039 0.000 0.802 253 L CB -0.211 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 -0.309 119.869 120.200 -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 2.110 31.793 29.700 -0.027 0.000 1.277 254 E HN 0.041 nan 8.360 nan 0.000 0.455 255 V N -0.270 119.620 119.914 -0.041 0.000 2.752 255 V HA -0.007 4.112 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 3.921 124.108 120.200 -0.022 0.000 2.257 256 E HA 0.219 4.569 4.350 -0.000 0.000 0.278 256 E C 0.228 176.828 176.600 -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 4.967 125.368 120.400 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 -0.919 55.373 56.287 0.009 0.000 1.029 257 K CB 0.634 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 -0.170 62.986 63.100 0.092 0.000 0.949 258 P CB 0.592 32.403 31.700 0.184 0.000 1.445 259 E N 1.265 121.504 120.200 0.065 0.000 2.077 259 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 259 E C 1.653 178.273 176.600 0.033 0.000 0.989 259 E CA 1.408 57.839 56.400 0.051 0.000 0.800 259 E CB -0.432 29.291 29.700 0.040 0.000 0.746 259 E HN 0.117 nan 8.360 nan 0.000 0.452 260 L N 0.547 121.786 121.223 0.026 0.000 2.046 260 L HA -0.073 4.267 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 2.058 56.908 54.840 0.018 0.000 0.747 260 L CB -1.244 40.823 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 0.143 4.783 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 1.655 55.666 54.000 0.018 0.000 0.829 261 D CB 0.036 40.851 40.800 0.025 0.000 0.961 261 D HN 0.593 nan 8.370 nan 0.000 0.460 262 A N -0.558 122.272 122.820 0.018 0.000 2.587 262 A HA 0.554 4.873 4.320 -0.000 0.000 0.293 262 A C -1.104 176.487 177.584 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 -0.123 nan 8.150 nan 0.000 0.407 263 E N 0.342 120.541 120.200 -0.001 0.000 2.256 263 E HA 0.642 4.992 4.350 -0.000 0.000 0.268 263 E C -1.473 175.119 176.600 -0.013 0.000 0.877 263 E CA -0.358 56.044 56.400 0.004 0.000 0.757 263 E CB 2.134 31.836 29.700 0.003 0.000 1.183 263 E HN 0.769 nan 8.360 nan 0.000 0.418 264 I N 0.345 120.907 120.570 -0.014 0.000 3.149 264 I HA 0.585 4.754 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 60.325 61.300 -0.037 0.000 0.955 264 I CB 1.723 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 3.687 124.168 120.500 -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 0.375 30.667 30.300 -0.014 0.000 1.583 265 R HN 0.598 nan 8.270 nan 0.000 0.535 266 I N 0.375 120.941 120.570 -0.006 0.000 2.828 266 I HA 0.196 4.366 4.170 -0.000 0.000 0.295 266 I C -0.679 175.442 176.117 0.006 0.000 1.459 266 I CA -0.772 60.528 61.300 0.000 0.000 1.015 266 I CB 2.187 40.205 38.000 0.030 0.000 1.345 266 I HN 0.979 nan 8.210 nan 0.000 0.449 267 N N 3.058 121.761 118.700 0.005 0.000 2.784 267 N HA 0.146 4.886 4.740 -0.000 0.000 0.227 267 N C -0.287 175.231 175.510 0.012 0.000 1.109 267 N CA -0.015 53.038 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 0.443 nan 8.380 nan 0.000 0.589 268 D N 1.150 121.557 120.400 0.012 0.000 2.340 268 D HA 0.294 4.934 4.640 -0.000 0.000 0.251 268 D C -1.521 174.793 176.300 0.024 0.000 1.080 268 D CA -1.620 52.389 54.000 0.015 0.000 0.971 268 D CB 1.865 42.671 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 1.243 178.564 177.300 0.035 0.000 1.153 269 P CA 0.939 64.058 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 -0.672 113.899 114.554 0.028 0.000 2.788 270 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 270 T C 2.073 176.796 174.700 0.037 0.000 1.044 270 T CA 1.684 63.800 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 -0.047 nan 8.240 nan 0.000 0.454 271 Q N -0.139 119.684 119.800 0.038 0.000 2.123 271 Q HA 0.020 4.360 4.340 -0.000 0.000 0.199 271 Q C 2.241 178.305 176.000 0.107 0.000 0.966 271 Q CA 1.396 57.225 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 -0.075 119.594 119.600 0.115 0.000 2.180 272 M HA -0.217 4.263 4.480 -0.000 0.000 0.260 272 M C 1.968 178.357 176.300 0.148 0.000 1.071 272 M CA 1.703 57.098 55.300 0.159 0.000 1.096 272 M CB -1.608 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 1.076 120.927 119.800 0.085 0.000 1.943 273 Q HA -0.188 4.152 4.340 -0.000 0.000 0.213 273 Q C 1.995 178.046 176.000 0.086 0.000 1.017 273 Q CA 1.850 57.690 55.803 0.062 0.000 0.874 273 Q CB -0.816 27.948 28.738 0.043 0.000 0.960 273 Q HN 0.546 nan 8.270 nan 0.000 0.417 274 K N -0.350 120.105 120.400 0.092 0.000 2.442 274 K HA -0.134 4.186 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 0.637 56.984 56.287 0.100 0.000 0.937 274 K CB -0.242 32.299 32.500 0.069 0.000 0.757 274 K HN 0.248 nan 8.250 nan 0.000 0.474 275 F N 0.573 120.525 119.950 0.003 0.000 2.123 275 F HA -0.082 4.445 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 0.152 121.315 121.223 -0.100 0.000 2.291 276 L HA -0.136 4.204 4.340 -0.000 0.000 0.214 276 L C 1.538 178.362 176.870 -0.077 0.000 1.120 276 L CA 0.505 55.207 54.840 -0.231 0.000 0.799 276 L CB -0.673 41.267 42.059 -0.198 0.000 0.925 276 L HN 0.173 nan 8.230 nan 0.000 0.446 277 D N 0.482 120.883 120.400 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 1.486 55.496 54.000 0.017 0.000 0.831 277 D CB -0.093 40.727 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 4.159 4.350 -0.000 0.000 0.193 278 E C 1.876 178.504 176.600 0.047 0.000 0.985 278 E CA 0.935 57.370 56.400 0.059 0.000 0.814 278 E CB -0.290 29.458 29.700 0.080 0.000 0.752 278 E HN 0.321 nan 8.360 nan 0.000 0.466 279 E N 1.203 121.429 120.200 0.043 0.000 2.204 279 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 279 E C 2.068 178.651 176.600 -0.028 0.000 0.989 279 E CA 1.126 57.530 56.400 0.005 0.000 0.824 279 E CB 0.068 29.722 29.700 -0.077 0.000 0.756 279 E HN 0.480 nan 8.360 nan 0.000 0.477 280 E N 0.170 120.353 120.200 -0.029 0.000 2.170 280 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 280 E C 1.487 178.084 176.600 -0.005 0.000 0.981 280 E CA 0.692 57.079 56.400 -0.022 0.000 0.830 280 E CB 0.024 29.717 29.700 -0.011 0.000 0.775 280 E HN 0.323 nan 8.360 nan 0.000 0.470 281 N N 0.335 119.042 118.700 0.011 0.000 2.512 281 N HA -0.093 4.647 4.740 -0.000 0.000 0.183 281 N C 1.710 177.215 175.510 -0.010 0.000 1.073 281 N CA -0.009 53.053 53.050 0.019 0.000 0.911 281 N CB 0.116 38.624 38.487 0.035 0.000 0.964 281 N HN 0.133 nan 8.380 nan 0.000 0.447 282 L N 1.091 122.306 121.223 -0.014 0.000 2.072 282 L HA -0.047 4.292 4.340 -0.000 0.000 0.205 282 L C 1.733 178.572 176.870 -0.053 0.000 1.079 282 L CA 1.313 56.141 54.840 -0.021 0.000 0.752 282 L CB -0.193 41.863 42.059 -0.005 0.000 0.906 282 L HN 0.086 nan 8.230 nan 0.000 0.436 283 I N -0.461 120.065 120.570 -0.073 0.000 2.406 283 I HA -0.181 3.989 4.170 -0.000 0.000 0.249 283 I C 2.280 178.277 176.117 -0.200 0.000 1.122 283 I CA 1.036 62.269 61.300 -0.112 0.000 1.431 283 I CB -1.243 36.695 38.000 -0.104 0.000 1.087 283 I HN 0.302 nan 8.210 nan 0.000 0.424 284 K N 0.608 120.862 120.400 -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 1.137 57.139 56.287 -0.474 0.000 0.940 284 K CB -0.009 32.343 32.500 -0.247 0.000 0.729 284 K HN 0.186 nan 8.250 nan 0.000 0.451 285 E N 2.080 122.194 120.200 -0.143 0.000 2.015 285 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 285 E C 1.526 178.071 176.600 -0.092 0.000 0.991 285 E CA 1.674 58.024 56.400 -0.082 0.000 0.802 285 E CB 0.045 29.717 29.700 -0.046 0.000 0.759 285 E HN 0.121 nan 8.360 nan 0.000 0.447 286 K N -0.101 120.240 120.400 -0.098 0.000 2.074 286 K HA -0.137 4.182 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 1.623 57.859 56.287 -0.084 0.000 0.926 286 K CB -0.347 32.106 32.500 -0.079 0.000 0.713 286 K HN 0.058 nan 8.250 nan 0.000 0.444 287 V N 2.229 122.039 119.914 -0.174 0.000 2.287 287 V HA -0.273 3.846 4.120 -0.000 0.000 0.248 287 V C 1.817 177.844 176.094 -0.111 0.000 1.053 287 V CA 1.972 64.157 62.300 -0.190 0.000 1.027 287 V CB -0.439 31.140 31.823 -0.408 0.000 0.646 287 V HN 0.318 nan 8.190 nan 0.000 0.447 288 D N -0.312 120.027 120.400 -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 1.123 55.116 54.000 -0.011 0.000 0.841 288 D CB -0.103 40.708 40.800 0.018 0.000 0.953 288 D HN 0.416 nan 8.370 nan 0.000 0.478 289 K N 0.510 120.894 120.400 -0.027 0.000 2.283 289 K HA -0.044 4.276 4.320 -0.000 0.000 0.202 289 K C 2.068 178.659 176.600 -0.015 0.000 1.048 289 K CA 0.480 56.756 56.287 -0.018 0.000 0.948 289 K CB 0.155 32.641 32.500 -0.024 0.000 0.742 289 K HN 0.113 nan 8.250 nan 0.000 0.458 290 I N 0.298 120.855 120.570 -0.022 0.000 2.494 290 I HA -0.169 4.001 4.170 -0.000 0.000 0.250 290 I C 1.697 177.812 176.117 -0.003 0.000 1.112 290 I CA 0.520 61.809 61.300 -0.017 0.000 1.438 290 I CB 0.050 38.035 38.000 -0.026 0.000 1.111 290 I HN 0.084 nan 8.210 nan 0.000 0.431 291 L N 0.947 122.174 121.223 0.006 0.000 2.456 291 L HA -0.088 4.252 4.340 -0.000 0.000 0.224 291 L C 2.603 179.488 176.870 0.025 0.000 1.148 291 L CA 0.455 55.309 54.840 0.025 0.000 0.825 291 L CB -0.607 41.480 42.059 0.047 0.000 0.937 291 L HN 0.214 nan 8.230 nan 0.000 0.450 292 A N -0.792 122.038 122.820 0.016 0.000 2.131 292 A HA -0.215 4.104 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 2.174 54.221 52.037 0.017 0.000 0.665 292 A CB -0.519 18.487 19.000 0.009 0.000 0.795 292 A HN 0.359 nan 8.150 nan 0.000 0.460 293 T N -1.690 112.874 114.554 0.017 0.000 3.037 293 T HA 0.373 4.723 4.350 -0.000 0.000 0.251 293 T C 0.933 175.653 174.700 0.033 0.000 1.079 293 T CA 1.356 63.467 62.100 0.019 0.000 1.067 293 T CB -0.449 68.422 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 -0.107 45.019 45.100 0.043 0.000 1.308 294 G HN 0.884 nan 8.290 nan 0.000 0.529 295 A N 1.788 124.631 122.820 0.039 0.000 2.337 295 A HA 0.792 5.111 4.320 -0.000 0.000 0.329 295 A C 1.111 178.721 177.584 0.043 0.000 1.146 295 A CA -0.309 51.750 52.037 0.037 0.000 0.800 295 A CB 0.786 19.794 19.000 0.014 0.000 1.220 295 A HN 0.450 nan 8.150 nan 0.000 0.472 296 N N 0.354 119.085 118.700 0.052 0.000 2.300 296 N HA -0.028 4.712 4.740 -0.000 0.000 0.179 296 N C 0.212 175.748 175.510 0.042 0.000 1.016 296 N CA 1.216 54.296 53.050 0.050 0.000 0.876 296 N CB 0.338 38.860 38.487 0.058 0.000 0.979 296 N HN 0.445 nan 8.380 nan 0.000 0.432 297 V N 0.548 120.483 119.914 0.036 0.000 3.007 297 V HA 0.599 4.719 4.120 -0.000 0.000 0.311 297 V C -1.655 174.449 176.094 0.015 0.000 1.120 297 V CA -0.920 61.396 62.300 0.028 0.000 0.980 297 V CB 2.874 34.715 31.823 0.029 0.000 1.033 297 V HN 0.008 nan 8.190 nan 0.000 0.429 298 I N 7.258 127.835 120.570 0.012 0.000 2.571 298 I HA 0.547 4.717 4.170 -0.000 0.000 0.286 298 I C -1.605 174.511 176.117 -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 6.441 127.006 120.570 -0.008 0.000 2.608 299 I HA 0.732 4.901 4.170 -0.000 0.000 0.295 299 I C -0.464 175.645 176.117 -0.014 0.000 1.049 299 I CA -0.554 60.740 61.300 -0.010 0.000 1.063 299 I CB 0.813 38.806 38.000 -0.012 0.000 1.248 299 I HN 0.781 nan 8.210 nan 0.000 0.424 300 C N 3.763 123.055 119.300 -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 58.527 59.018 -0.015 0.000 1.465 300 C CB 1.614 29.344 27.740 -0.017 0.000 1.890 300 C HN 0.961 nan 8.230 nan 0.000 0.450 301 Q N 0.629 120.421 119.800 -0.014 0.000 2.354 301 Q HA 0.627 4.967 4.340 -0.000 0.000 0.372 301 Q C -0.550 175.443 176.000 -0.013 0.000 0.923 301 Q CA -0.220 55.575 55.803 -0.013 0.000 1.123 301 Q CB 0.279 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 -0.224 120.168 120.400 -0.013 0.000 2.533 302 K HA 0.574 4.894 4.320 -0.000 0.000 0.284 302 K C -0.933 175.659 176.600 -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 1.724 110.517 108.800 -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 -0.354 174.537 174.900 -0.015 0.000 1.215 303 G CA -0.303 44.789 45.100 -0.012 0.000 0.910 303 G HN 0.439 nan 8.290 nan 0.000 0.467 304 I N 2.115 122.677 120.570 -0.013 0.000 2.342 304 I HA 0.077 4.247 4.170 -0.000 0.000 0.291 304 I C 0.349 176.456 176.117 -0.018 0.000 1.010 304 I CA -0.689 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 5.266 125.651 120.400 -0.026 0.000 2.478 305 D HA -0.111 4.529 4.640 -0.000 0.000 0.234 305 D C 1.441 177.726 176.300 -0.026 0.000 1.154 305 D CA 0.215 54.198 54.000 -0.028 0.000 0.874 305 D CB 0.945 41.722 40.800 -0.038 0.000 1.198 305 D HN 0.584 nan 8.370 nan 0.000 0.455 306 E N 2.529 122.715 120.200 -0.023 0.000 2.274 306 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 306 E C 1.651 178.223 176.600 -0.046 0.000 0.996 306 E CA 0.648 57.033 56.400 -0.025 0.000 0.840 306 E CB -0.249 29.445 29.700 -0.010 0.000 0.772 306 E HN 0.364 nan 8.360 nan 0.000 0.491 307 V N 1.648 121.540 119.914 -0.037 0.000 2.649 307 V HA -0.013 4.107 4.120 -0.000 0.000 0.248 307 V C 2.557 178.645 176.094 -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 -0.631 122.175 122.820 -0.024 0.000 2.119 308 A HA -0.165 4.155 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 1.178 53.200 52.037 -0.025 0.000 0.692 308 A CB -0.279 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 -0.766 119.006 119.800 -0.046 0.000 2.062 309 Q HA -0.054 4.286 4.340 -0.000 0.000 0.196 309 Q C 2.257 178.144 176.000 -0.189 0.000 0.967 309 Q CA 1.457 57.203 55.803 -0.095 0.000 0.832 309 Q CB -0.165 28.497 28.738 -0.126 0.000 0.899 309 Q HN 0.574 nan 8.270 nan 0.000 0.442 310 S N 0.156 115.720 115.700 -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 0.943 59.006 58.200 -0.227 0.000 0.974 310 S CB -0.243 62.869 63.200 -0.147 0.000 0.786 310 S HN 0.383 nan 8.310 nan 0.000 0.492 311 Y N 1.838 122.074 120.300 -0.106 0.000 2.206 311 Y HA 0.083 4.633 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 1.073 59.136 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 -0.510 120.871 121.223 0.264 0.000 2.141 312 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 312 L C 2.664 179.588 176.870 0.090 0.000 1.094 312 L CA 0.985 55.931 54.840 0.176 0.000 0.763 312 L CB -0.821 41.297 42.059 0.098 0.000 0.908 312 L HN 0.296 nan 8.230 nan 0.000 0.437 313 A N 0.026 122.873 122.820 0.045 0.000 1.898 313 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 313 A C 2.378 179.980 177.584 0.031 0.000 1.181 313 A CA 1.708 53.782 52.037 0.062 0.000 0.620 313 A CB -0.344 18.686 19.000 0.050 0.000 0.819 313 A HN 0.282 nan 8.150 nan 0.000 0.442 314 K N -0.774 119.609 120.400 -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 0.878 57.124 56.287 -0.068 0.000 0.956 314 K CB 0.047 32.458 32.500 -0.150 0.000 0.746 314 K HN 0.127 nan 8.250 nan 0.000 0.461 315 K N -0.604 119.772 120.400 -0.041 0.000 2.305 315 K HA 0.028 4.348 4.320 -0.000 0.000 0.199 315 K C 0.814 177.428 176.600 0.024 0.000 1.047 315 K CA 1.005 57.290 56.287 -0.004 0.000 0.976 315 K CB 0.431 32.976 32.500 0.076 0.000 0.765 315 K HN 0.387 nan 8.250 nan 0.000 0.474 316 G N 1.258 110.078 108.800 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 -0.120 174.808 174.900 0.047 0.000 1.058 316 G CA 0.125 45.248 45.100 0.038 0.000 0.781 316 G HN 0.061 nan 8.290 nan 0.000 0.496 317 V N 0.094 120.042 119.914 0.057 0.000 2.713 317 V HA 0.782 4.902 4.120 -0.000 0.000 0.307 317 V C 0.347 176.473 176.094 0.054 0.000 1.052 317 V CA -1.020 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 3.559 124.809 121.223 0.045 0.000 2.294 318 L HA 0.842 5.182 4.340 -0.000 0.000 0.283 318 L C 0.016 176.906 176.870 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 42.572 42.059 0.036 0.000 1.217 318 L HN 0.807 nan 8.230 nan 0.000 0.420 319 A N 4.622 127.463 122.820 0.034 0.000 2.380 319 A HA 0.894 5.214 4.320 -0.000 0.000 0.315 319 A C -1.328 176.266 177.584 0.016 0.000 1.101 319 A CA -0.588 51.462 52.037 0.022 0.000 0.771 319 A CB 1.787 20.801 19.000 0.023 0.000 1.287 319 A HN 0.463 nan 8.150 nan 0.000 0.436 320 V N 2.777 122.693 119.914 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 61.399 62.300 -0.004 0.000 0.888 320 V CB 1.505 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 1.940 122.437 120.500 -0.006 0.000 2.951 321 R HA 0.226 4.565 4.340 -0.000 0.000 0.141 321 R C 0.340 176.633 176.300 -0.012 0.000 0.691 321 R CA -0.255 55.841 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 -0.130 120.363 120.500 -0.012 0.000 2.623 322 R HA 0.243 4.583 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 0.328 56.420 56.100 -0.013 0.000 1.083 322 R CB 0.334 30.627 30.300 -0.012 0.000 0.974 322 R HN 0.540 nan 8.270 nan 0.000 0.436 323 A N 2.586 125.396 122.820 -0.017 0.000 2.480 323 A HA 0.220 4.540 4.320 -0.000 0.000 0.289 323 A C -0.845 176.730 177.584 -0.016 0.000 1.044 323 A CA -0.938 51.088 52.037 -0.019 0.000 0.761 323 A CB 1.177 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 1.191 177.784 176.600 -0.011 0.000 1.054 324 K CA 0.373 56.653 56.287 -0.012 0.000 1.135 324 K CB 0.561 33.054 32.500 -0.012 0.000 0.854 324 K HN 0.841 nan 8.250 nan 0.000 0.484 325 K N 2.174 122.568 120.400 -0.009 0.000 2.218 325 K HA -0.187 4.132 4.320 -0.000 0.000 0.205 325 K C 1.439 178.036 176.600 -0.006 0.000 1.046 325 K CA 1.643 57.925 56.287 -0.007 0.000 0.933 325 K CB 0.125 32.621 32.500 -0.006 0.000 0.728 325 K HN 0.465 nan 8.250 nan 0.000 0.454 326 S N 1.394 117.090 115.700 -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 -0.361 62.836 63.200 -0.005 0.000 0.820 326 S HN 0.658 nan 8.310 nan 0.000 0.476 327 D N 0.416 120.812 120.400 -0.006 0.000 2.388 327 D HA 0.104 4.744 4.640 -0.000 0.000 0.208 327 D C 1.668 177.965 176.300 -0.005 0.000 1.035 327 D CA 0.059 54.056 54.000 -0.006 0.000 0.875 327 D CB -0.711 40.082 40.800 -0.011 0.000 0.984 327 D HN 0.323 nan 8.370 nan 0.000 0.508 328 L N 0.523 121.742 121.223 -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 1.601 56.437 54.840 -0.007 0.000 0.747 328 L CB -0.372 41.681 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 1.160 57.561 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 0.576 120.980 120.400 0.006 0.000 2.211 330 K HA -0.133 4.187 4.320 -0.000 0.000 0.204 330 K C 2.136 178.745 176.600 0.013 0.000 1.047 330 K CA 0.746 57.039 56.287 0.010 0.000 0.935 330 K CB -0.072 32.434 32.500 0.009 0.000 0.728 330 K HN 0.149 nan 8.250 nan 0.000 0.452 331 L N -0.353 120.875 121.223 0.009 0.000 2.375 331 L HA 0.044 4.384 4.340 -0.000 0.000 0.215 331 L C 2.063 178.937 176.870 0.006 0.000 1.108 331 L CA 0.350 55.196 54.840 0.011 0.000 0.830 331 L CB -0.078 41.984 42.059 0.005 0.000 0.959 331 L HN 0.077 nan 8.230 nan 0.000 0.457 332 A N 1.644 124.465 122.820 0.001 0.000 1.824 332 A HA -0.237 4.082 4.320 -0.000 0.000 0.215 332 A C 2.130 179.714 177.584 -0.000 0.000 1.209 332 A CA 1.830 53.864 52.037 -0.005 0.000 0.614 332 A CB -0.654 18.343 19.000 -0.005 0.000 0.852 332 A HN 0.588 nan 8.150 nan 0.000 0.447 333 R N -0.201 120.304 120.500 0.008 0.000 2.346 333 R HA 0.345 4.685 4.340 -0.000 0.000 0.199 333 R C 1.410 177.724 176.300 0.023 0.000 1.015 333 R CA 0.957 57.066 56.100 0.015 0.000 1.058 333 R CB -0.300 30.012 30.300 0.020 0.000 0.921 333 R HN 0.337 nan 8.270 nan 0.000 0.475 334 A N 1.064 123.898 122.820 0.023 0.000 2.044 334 A HA -0.008 4.312 4.320 -0.000 0.000 0.213 334 A C 1.781 179.389 177.584 0.040 0.000 1.169 334 A CA 0.870 52.928 52.037 0.034 0.000 0.724 334 A CB 0.151 19.173 19.000 0.036 0.000 0.840 334 A HN 0.466 nan 8.150 nan 0.000 0.463 335 T N -4.608 109.963 114.554 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 0.295 109.101 108.800 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 -0.922 107.844 108.800 -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 -0.736 119.733 120.500 -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 4.376 124.277 119.914 -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 -0.567 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 4.524 124.425 119.914 -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 1.288 63.577 62.300 -0.020 0.000 1.169 340 V CB 0.326 32.135 31.823 -0.023 0.000 0.898 340 V HN 0.987 nan 8.190 nan 0.000 0.471 341 S N 3.855 119.547 115.700 -0.014 0.000 2.329 341 S HA -0.058 4.412 4.470 -0.000 0.000 0.215 341 S C 1.061 175.653 174.600 -0.012 0.000 1.031 341 S CA 0.853 59.047 58.200 -0.012 0.000 0.985 341 S CB -0.028 63.167 63.200 -0.009 0.000 0.917 341 S HN 0.856 nan 8.310 nan 0.000 0.441 342 N N 1.046 119.738 118.700 -0.012 0.000 2.443 342 N HA 0.205 4.945 4.740 -0.000 0.000 0.269 342 N C 1.102 176.603 175.510 -0.014 0.000 0.985 342 N CA -0.216 52.826 53.050 -0.012 0.000 0.921 342 N CB 1.194 39.675 38.487 -0.010 0.000 1.195 342 N HN 0.501 nan 8.380 nan 0.000 0.492 343 I N 0.238 120.798 120.570 -0.017 0.000 2.399 343 I HA -0.195 3.975 4.170 -0.000 0.000 0.254 343 I C 0.235 176.342 176.117 -0.017 0.000 1.146 343 I CA 1.368 62.656 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 1.077 121.469 120.400 -0.014 0.000 2.338 344 D HA -0.024 4.616 4.640 -0.000 0.000 0.239 344 D C 1.393 177.688 176.300 -0.009 0.000 1.095 344 D CA 0.477 54.471 54.000 -0.011 0.000 0.888 344 D CB 0.055 40.849 40.800 -0.009 0.000 0.899 344 D HN 0.464 nan 8.370 nan 0.000 0.525 345 E N -0.348 119.846 120.200 -0.010 0.000 2.641 345 E HA 0.158 4.508 4.350 -0.000 0.000 0.224 345 E C 0.620 177.214 176.600 -0.009 0.000 0.951 345 E CA -0.296 56.099 56.400 -0.008 0.000 1.102 345 E CB 0.957 30.652 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 -0.114 4.056 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 0.880 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 3.794 119.486 115.700 -0.013 0.000 2.638 347 S HA 0.262 4.732 4.470 -0.000 0.000 0.302 347 S C 0.273 174.869 174.600 -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 64.910 63.200 -0.006 0.000 1.107 347 S HN 0.510 nan 8.310 nan 0.000 0.503 348 E N 1.166 121.370 120.200 0.006 0.000 2.482 348 E HA -0.076 4.274 4.350 -0.000 0.000 0.200 348 E C 1.217 177.828 176.600 0.018 0.000 1.147 348 E CA 0.398 56.810 56.400 0.020 0.000 0.912 348 E CB -0.311 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 -2.167 117.625 119.800 -0.013 0.000 2.237 349 Q HA 0.081 4.421 4.340 -0.000 0.000 0.254 349 Q C 0.454 176.403 176.000 -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 28.689 28.738 -0.002 0.000 1.202 349 Q HN -0.051 nan 8.270 nan 0.000 0.492 350 D N 2.670 123.033 120.400 -0.062 0.000 2.393 350 D HA -0.036 4.604 4.640 -0.000 0.000 0.220 350 D C 0.653 176.891 176.300 -0.103 0.000 0.974 350 D CA 0.804 54.764 54.000 -0.067 0.000 0.931 350 D CB -0.105 40.669 40.800 -0.043 0.000 0.889 350 D HN 0.494 nan 8.370 nan 0.000 0.512 351 L N -1.683 119.447 121.223 -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 -0.228 nan 8.230 nan 0.000 0.428 352 G N 2.057 110.685 108.800 -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 -0.375 44.541 45.100 -0.307 0.000 0.843 352 G HN 0.575 nan 8.290 nan 0.000 0.545 353 Y N -0.339 119.972 120.300 0.018 0.000 2.453 353 Y HA 0.682 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 -0.146 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 -0.032 122.918 122.820 0.216 0.000 2.583 354 A HA 0.734 5.054 4.320 -0.000 0.000 0.299 354 A C -0.064 177.581 177.584 0.101 0.000 1.258 354 A CA -0.130 51.984 52.037 0.129 0.000 0.682 354 A CB 0.858 19.918 19.000 0.100 0.000 1.332 354 A HN 0.559 nan 8.150 nan 0.000 0.485 355 S N -1.547 114.199 115.700 0.077 0.000 2.741 355 S HA 0.444 4.914 4.470 -0.000 0.000 0.245 355 S C -0.312 174.320 174.600 0.052 0.000 1.083 355 S CA 0.408 58.640 58.200 0.055 0.000 0.873 355 S CB 0.387 63.613 63.200 0.043 0.000 0.814 355 S HN 0.741 nan 8.310 nan 0.000 0.476 356 L N 1.609 122.869 121.223 0.063 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 0.081 0.000 0.935 356 L CA -0.493 54.384 54.840 0.062 0.000 0.891 356 L CB 1.494 43.584 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 -0.361 175.821 176.117 0.107 0.000 1.003 357 I CA -0.618 60.741 61.300 0.097 0.000 1.127 357 I CB 1.943 39.987 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 0.331 4.681 4.350 -0.000 0.000 0.278 358 E C -1.317 175.388 176.600 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 1.444 121.738 120.200 0.156 0.000 4.090 359 E HA 0.184 4.534 4.350 -0.000 0.000 0.235 359 E C -0.909 175.763 176.600 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 1.229 121.890 120.500 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 -0.016 56.215 56.100 0.218 0.000 1.057 360 R CB 0.520 30.972 30.300 0.253 0.000 0.973 360 R HN 0.074 nan 8.270 nan 0.000 0.438 361 K N 1.523 121.977 120.400 0.090 0.000 3.277 361 K HA 0.098 4.418 4.320 -0.000 0.000 0.280 361 K C -0.297 176.342 176.600 0.065 0.000 1.182 361 K CA -0.147 56.173 56.287 0.055 0.000 1.219 361 K CB -0.251 32.268 32.500 0.031 0.000 1.373 361 K HN 0.152 nan 8.250 nan 0.000 0.392 362 V N 1.257 121.237 119.914 0.109 0.000 2.557 362 V HA 0.166 4.286 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 1.220 63.581 62.300 0.101 0.000 1.137 362 V CB -0.264 31.662 31.823 0.172 0.000 0.917 362 V HN 0.870 nan 8.190 nan 0.000 0.484 363 G N 4.281 113.106 108.800 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 0.828 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 -0.427 119.780 120.200 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 0.274 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 1.289 121.688 120.400 -0.002 0.000 2.414 365 D HA 0.186 4.826 4.640 -0.000 0.000 0.251 365 D C -0.353 175.941 176.300 -0.011 0.000 1.252 365 D CA 0.172 54.166 54.000 -0.010 0.000 0.999 365 D CB 0.828 41.616 40.800 -0.019 0.000 1.093 365 D HN 0.020 nan 8.370 nan 0.000 0.515 366 K N 0.296 120.681 120.400 -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 1.879 34.366 32.500 -0.022 0.000 1.113 366 K HN 0.254 nan 8.250 nan 0.000 0.431 367 M N 1.748 121.254 119.600 -0.157 0.000 2.602 367 M HA 0.373 4.853 4.480 -0.000 0.000 0.312 367 M C -0.629 175.381 176.300 -0.484 0.000 1.181 367 M CA -1.277 53.832 55.300 -0.319 0.000 0.910 367 M CB 2.324 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 1.933 121.578 119.914 -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 61.845 62.300 -0.350 0.000 0.952 368 V CB 0.829 32.556 31.823 -0.160 0.000 0.988 368 V HN 0.528 nan 8.190 nan 0.000 0.469 369 F N 2.640 122.597 119.950 0.013 0.000 2.538 369 F HA 0.667 5.193 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 -0.349 175.828 176.094 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 1.330 121.615 120.200 0.142 0.000 2.390 371 E HA 0.451 4.801 4.350 -0.000 0.000 0.261 371 E C 1.200 177.857 176.600 0.094 0.000 1.076 371 E CA 0.281 56.749 56.400 0.113 0.000 0.905 371 E CB 0.744 30.492 29.700 0.080 0.000 0.984 371 E HN 0.699 nan 8.360 nan 0.000 0.427 372 G N 1.123 109.980 108.800 0.095 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 0.396 175.339 174.900 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 4.913 4.320 -0.000 0.000 0.272 373 A C 1.690 179.321 177.584 0.079 0.000 1.182 373 A CA 1.521 53.607 52.037 0.082 0.000 0.819 373 A CB 0.203 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 -0.165 120.291 120.400 0.093 0.000 2.103 374 K HA -0.055 4.265 4.320 -0.000 0.000 0.204 374 K C 0.598 177.241 176.600 0.071 0.000 1.052 374 K CA 1.133 57.479 56.287 0.098 0.000 0.945 374 K CB 0.003 32.593 32.500 0.150 0.000 0.722 374 K HN 0.676 nan 8.250 nan 0.000 0.443 375 N N 0.804 119.543 118.700 0.064 0.000 2.414 375 N HA 0.079 4.819 4.740 -0.000 0.000 0.256 375 N C -1.968 173.574 175.510 0.053 0.000 1.029 375 N CA -1.708 51.374 53.050 0.053 0.000 0.948 375 N CB 1.370 39.886 38.487 0.049 0.000 1.102 375 N HN -0.010 nan 8.380 nan 0.000 0.496 376 P HA -0.149 nan 4.420 nan 0.000 0.210 376 P C -0.209 177.127 177.300 0.059 0.000 1.191 376 P CA 1.313 64.438 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 0.911 121.342 120.400 0.053 0.000 1.985 377 K HA 0.254 4.574 4.320 -0.000 0.000 0.234 377 K C -0.171 176.465 176.600 0.060 0.000 1.140 377 K CA 0.138 56.461 56.287 0.061 0.000 1.141 377 K CB -0.692 31.838 32.500 0.051 0.000 1.165 377 K HN -0.092 nan 8.250 nan 0.000 0.301 378 S N 3.723 119.468 115.700 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 57.288 58.200 0.065 0.000 1.044 378 S CB -0.046 63.189 63.200 0.057 0.000 1.252 378 S HN 0.651 nan 8.310 nan 0.000 0.393 379 I N 0.423 121.031 120.570 0.064 0.000 3.145 379 I HA 0.949 5.119 4.170 -0.000 0.000 0.313 379 I C -0.450 175.672 176.117 0.008 0.000 1.122 379 I CA -0.793 60.532 61.300 0.041 0.000 0.987 379 I CB 2.285 40.296 38.000 0.018 0.000 1.236 379 I HN 0.347 nan 8.210 nan 0.000 0.453 380 S N 1.946 117.637 115.700 -0.016 0.000 2.632 380 S HA 0.723 5.193 4.470 -0.000 0.000 0.289 380 S C -0.680 173.901 174.600 -0.031 0.000 1.115 380 S CA -0.641 57.554 58.200 -0.007 0.000 0.889 380 S CB 1.996 65.211 63.200 0.024 0.000 1.116 380 S HN 0.513 nan 8.310 nan 0.000 0.486 381 I N 1.747 122.309 120.570 -0.013 0.000 2.530 381 I HA 0.471 4.641 4.170 -0.000 0.000 0.297 381 I C -1.366 174.757 176.117 0.010 0.000 1.011 381 I CA -0.861 60.431 61.300 -0.014 0.000 1.107 381 I CB 1.758 39.750 38.000 -0.013 0.000 1.285 381 I HN 0.325 nan 8.210 nan 0.000 0.436 382 L N 7.227 128.462 121.223 0.020 0.000 2.316 382 L HA 0.557 4.897 4.340 -0.000 0.000 0.280 382 L C -0.881 176.000 176.870 0.019 0.000 1.006 382 L CA -0.181 54.680 54.840 0.036 0.000 0.836 382 L CB 0.920 43.024 42.059 0.075 0.000 1.221 382 L HN 0.324 nan 8.230 nan 0.000 0.418 383 I N 5.158 125.732 120.570 0.006 0.000 2.440 383 I HA 0.464 4.634 4.170 -0.000 0.000 0.294 383 I C 0.345 176.454 176.117 -0.013 0.000 0.995 383 I CA 0.103 61.397 61.300 -0.010 0.000 1.306 383 I CB 1.103 39.094 38.000 -0.015 0.000 1.407 383 I HN 0.498 nan 8.210 nan 0.000 0.501 384 R N 3.958 124.441 120.500 -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 -0.224 55.858 56.100 -0.029 0.000 1.622 384 R CB 0.947 31.234 30.300 -0.021 0.000 1.418 384 R HN 0.923 nan 8.270 nan 0.000 0.697 385 G N 0.150 108.925 108.800 -0.042 0.000 2.462 385 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.220 385 G HA3 -0.038 3.922 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 1.323 46.395 45.100 -0.047 0.000 0.758 385 G HN 0.700 nan 8.290 nan 0.000 0.559 386 G N -0.783 107.998 108.800 -0.032 0.000 3.597 386 G HA2 -0.161 3.799 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 0.085 45.169 45.100 -0.026 0.000 1.354 386 G HN 0.799 nan 8.290 nan 0.000 0.609 387 L N 2.983 124.193 121.223 -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 0.854 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 57.947 56.400 -0.012 0.000 0.828 388 E CB -0.148 29.546 29.700 -0.011 0.000 0.747 388 E HN 0.702 nan 8.360 nan 0.000 0.491 389 R N 0.549 121.042 120.500 -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 0.137 56.230 56.100 -0.013 0.000 1.075 389 R CB -0.051 30.242 30.300 -0.011 0.000 1.040 389 R HN 0.305 nan 8.270 nan 0.000 0.526 390 L N 1.302 122.515 121.223 -0.017 0.000 2.079 390 L HA -0.133 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 1.359 56.186 54.840 -0.021 0.000 0.752 390 L CB -0.264 41.781 42.059 -0.024 0.000 0.896 390 L HN 0.155 nan 8.230 nan 0.000 0.433 391 V N 0.069 119.970 119.914 -0.022 0.000 2.343 391 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 391 V C 2.094 178.176 176.094 -0.019 0.000 1.051 391 V CA 2.386 64.672 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 0.549 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 2.064 178.356 176.300 -0.014 0.000 0.994 392 D CA 2.000 55.992 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 0.604 nan 8.370 nan 0.000 0.452 393 E N -0.373 119.818 120.200 -0.015 0.000 2.418 393 E HA -0.039 4.310 4.350 -0.000 0.000 0.197 393 E C 1.840 178.430 176.600 -0.018 0.000 1.026 393 E CA 0.510 56.901 56.400 -0.015 0.000 0.862 393 E CB 0.145 29.836 29.700 -0.015 0.000 0.799 393 E HN 0.119 nan 8.360 nan 0.000 0.518 394 T N 0.277 114.818 114.554 -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 1.145 63.230 62.100 -0.025 0.000 1.137 394 T CB -0.037 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 0.774 120.964 120.200 -0.017 0.000 2.152 395 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 395 E C 2.319 178.911 176.600 -0.013 0.000 0.983 395 E CA 0.735 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 0.381 120.874 120.500 -0.013 0.000 2.061 396 R HA -0.045 4.295 4.340 -0.000 0.000 0.230 396 R C 2.328 178.619 176.300 -0.015 0.000 1.140 396 R CA 1.696 57.789 56.100 -0.012 0.000 0.940 396 R CB -0.601 29.692 30.300 -0.011 0.000 0.839 396 R HN 0.251 nan 8.270 nan 0.000 0.429 397 A N 0.476 123.285 122.820 -0.017 0.000 1.917 397 A HA -0.208 4.111 4.320 -0.000 0.000 0.219 397 A C 2.029 179.601 177.584 -0.020 0.000 1.182 397 A CA 1.611 53.636 52.037 -0.020 0.000 0.633 397 A CB -0.751 18.236 19.000 -0.022 0.000 0.819 397 A HN 0.325 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 2.531 179.390 176.870 -0.017 0.000 1.085 398 L CA 1.564 56.394 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 -0.135 120.355 120.500 -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 -0.986 29.307 30.300 -0.011 0.000 0.845 399 R HN 0.423 nan 8.270 nan 0.000 0.430 400 D N 0.554 120.943 120.400 -0.018 0.000 2.117 400 D HA -0.091 4.549 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 1.468 55.456 54.000 -0.020 0.000 0.829 400 D CB -0.315 40.472 40.800 -0.020 0.000 0.961 400 D HN 0.188 nan 8.370 nan 0.000 0.460 401 A N 0.865 123.668 122.820 -0.028 0.000 1.908 401 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 401 A C 2.411 179.974 177.584 -0.035 0.000 1.181 401 A CA 1.164 53.180 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 1.157 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 -0.454 108.329 108.800 -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 0.094 114.627 114.554 -0.034 0.000 2.665 404 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 404 T C 2.457 177.126 174.700 -0.052 0.000 1.035 404 T CA 2.363 64.438 62.100 -0.041 0.000 1.151 404 T CB -0.417 68.423 68.868 -0.046 0.000 0.862 404 T HN 0.052 nan 8.240 nan 0.000 0.438 405 V N 2.022 121.902 119.914 -0.057 0.000 2.332 405 V HA -0.120 4.000 4.120 -0.000 0.000 0.248 405 V C 3.130 179.181 176.094 -0.072 0.000 1.055 405 V CA 1.914 64.172 62.300 -0.069 0.000 1.038 405 V CB -1.501 30.283 31.823 -0.064 0.000 0.651 405 V HN 0.681 nan 8.190 nan 0.000 0.450 406 A N -0.180 122.606 122.820 -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 1.890 53.894 52.037 -0.055 0.000 0.635 406 A CB -0.541 18.432 19.000 -0.045 0.000 0.810 406 A HN 0.532 nan 8.150 nan 0.000 0.445 407 D N -0.267 120.108 120.400 -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 1.187 121.060 119.914 -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 -0.222 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 1.433 178.059 176.600 0.042 0.000 1.047 410 K CA 1.862 58.177 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 -1.911 118.486 120.400 -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 1.511 55.517 54.000 0.010 0.000 0.991 411 D CB 0.517 41.323 40.800 0.009 0.000 1.104 411 D HN 0.148 nan 8.370 nan 0.000 0.438 412 G N -0.288 108.490 108.800 -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 0.151 120.659 120.500 0.013 0.000 2.562 413 R HA 0.803 5.143 4.340 -0.000 0.000 0.298 413 R C -0.409 175.917 176.300 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 3.698 126.566 122.820 0.079 0.000 2.488 414 A HA 0.521 4.841 4.320 -0.000 0.000 0.295 414 A C -0.868 176.786 177.584 0.117 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 -0.329 120.263 120.570 0.037 0.000 3.023 415 I HA 0.903 5.072 4.170 -0.000 0.000 0.312 415 I C 0.230 176.199 176.117 -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 39.499 38.000 0.167 0.000 1.233 415 I HN 0.861 nan 8.210 nan 0.000 0.462 416 A N 2.373 124.866 122.820 -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 0.112 51.970 52.037 -0.297 0.000 0.795 416 A CB -0.467 18.389 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 -0.084 45.018 45.100 0.003 0.000 0.907 417 G HN 1.981 nan 8.290 nan 0.000 0.509 418 G N -1.990 106.853 108.800 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 -0.464 108.418 108.800 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 0.253 123.197 122.820 0.208 0.000 1.859 420 A HA 0.096 4.415 4.320 -0.000 0.000 0.217 420 A C 2.594 180.300 177.584 0.204 0.000 1.198 420 A CA 3.252 55.464 52.037 0.293 0.000 0.629 420 A CB -0.839 18.431 19.000 0.451 0.000 0.830 420 A HN 1.169 nan 8.150 nan 0.000 0.446 421 V N -0.132 119.915 119.914 0.222 0.000 2.594 421 V HA -0.217 3.903 4.120 -0.000 0.000 0.253 421 V C 2.331 178.475 176.094 0.085 0.000 1.069 421 V CA 2.224 64.625 62.300 0.169 0.000 1.082 421 V CB -1.060 30.869 31.823 0.176 0.000 0.680 421 V HN 0.544 nan 8.190 nan 0.000 0.469 422 E N 1.113 121.358 120.200 0.076 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 1.632 62.865 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 1.408 121.542 120.200 -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 1.331 57.699 56.400 -0.054 0.000 0.802 424 E CB -0.395 29.299 29.700 -0.011 0.000 0.759 424 E HN 0.503 nan 8.360 nan 0.000 0.447 425 I N 1.414 121.997 120.570 0.021 0.000 2.399 425 I HA -0.247 3.923 4.170 -0.000 0.000 0.254 425 I C 2.233 178.386 176.117 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 1.185 124.038 122.820 0.054 0.000 1.838 426 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 426 A C 2.442 180.056 177.584 0.050 0.000 1.273 426 A CA 1.451 53.529 52.037 0.068 0.000 0.602 426 A CB -0.750 18.280 19.000 0.051 0.000 0.934 426 A HN 0.276 nan 8.150 nan 0.000 0.461 427 K N -0.470 119.944 120.400 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 2.259 58.560 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 0.265 nan 8.250 nan 0.000 0.453 428 K N 0.733 121.151 120.400 0.029 0.000 2.160 428 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 428 K C 2.127 178.772 176.600 0.075 0.000 1.047 428 K CA 1.181 57.488 56.287 0.033 0.000 0.930 428 K CB -0.268 32.239 32.500 0.010 0.000 0.720 428 K HN 0.214 nan 8.250 nan 0.000 0.450 429 L N 1.226 122.503 121.223 0.089 0.000 2.072 429 L HA -0.060 4.279 4.340 -0.000 0.000 0.205 429 L C 2.330 179.274 176.870 0.125 0.000 1.079 429 L CA 1.424 56.347 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 0.065 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 -0.202 4.138 4.340 -0.000 0.000 0.235 430 R C 2.273 178.611 176.300 0.065 0.000 1.131 430 R CA 1.634 57.769 56.100 0.059 0.000 0.960 430 R CB -0.369 29.959 30.300 0.046 0.000 0.856 430 R HN 0.276 nan 8.270 nan 0.000 0.436 431 K N 0.120 120.567 120.400 0.078 0.000 2.209 431 K HA -0.186 4.134 4.320 -0.000 0.000 0.204 431 K C 1.826 178.508 176.600 0.138 0.000 1.048 431 K CA 1.171 57.506 56.287 0.080 0.000 0.940 431 K CB -0.029 32.507 32.500 0.059 0.000 0.729 431 K HN 0.309 nan 8.250 nan 0.000 0.451 432 Y N 0.256 120.557 120.300 0.001 0.000 2.130 432 Y HA -0.203 4.347 4.550 -0.000 0.000 0.287 432 Y C 2.141 178.045 175.900 0.006 0.000 1.124 432 Y CA 1.013 59.112 58.100 -0.001 0.000 1.118 432 Y CB -0.211 38.243 38.460 -0.010 0.000 0.994 432 Y HN 0.137 nan 8.280 nan 0.000 0.497 433 A N 1.445 124.175 122.820 -0.149 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 2.858 54.744 52.037 -0.251 0.000 0.681 433 A CB -2.313 16.622 19.000 -0.108 0.000 0.842 433 A HN 0.480 nan 8.150 nan 0.000 0.468 434 P HA -0.292 nan 4.420 nan 0.000 0.222 434 P C 1.557 178.854 177.300 -0.005 0.000 1.155 434 P CA 2.289 65.383 63.100 -0.010 0.000 0.890 434 P CB -0.262 31.449 31.700 0.018 0.000 0.790 435 Q N -0.777 119.037 119.800 0.023 0.000 2.354 435 Q HA -0.027 4.313 4.340 -0.000 0.000 0.203 435 Q C 1.918 177.932 176.000 0.024 0.000 0.933 435 Q CA 1.039 56.872 55.803 0.050 0.000 0.901 435 Q CB -1.068 27.741 28.738 0.118 0.000 1.007 435 Q HN 0.235 nan 8.270 nan 0.000 0.495 436 V N -0.909 118.955 119.914 -0.084 0.000 2.282 436 V HA 0.074 4.194 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 1.622 63.843 62.300 -0.131 0.000 1.032 436 V CB -1.063 30.523 31.823 -0.395 0.000 0.645 436 V HN 0.571 nan 8.190 nan 0.000 0.447 437 G N -2.500 106.269 108.800 -0.053 0.000 2.343 437 G HA2 0.451 4.411 3.960 -0.000 0.000 0.289 437 G HA3 0.451 4.411 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 44.825 45.100 -0.026 0.000 0.869 437 G HN 0.783 nan 8.290 nan 0.000 0.522 438 G N -0.094 108.698 108.800 -0.014 0.000 2.813 438 G HA2 0.007 3.967 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 2.031 439 K HA -0.028 4.292 4.320 -0.000 0.000 0.205 439 K C 2.487 179.077 176.600 -0.017 0.000 1.049 439 K CA 1.138 57.419 56.287 -0.010 0.000 0.939 439 K CB -0.194 32.303 32.500 -0.005 0.000 0.717 439 K HN 0.409 nan 8.250 nan 0.000 0.438 440 E N 1.069 121.256 120.200 -0.021 0.000 2.233 440 E HA -0.306 4.044 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 1.182 57.565 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 2.322 178.307 176.000 -0.025 0.000 0.986 441 Q CA 1.396 57.160 55.803 -0.064 0.000 0.843 441 Q CB -0.133 28.575 28.738 -0.051 0.000 0.904 441 Q HN 0.316 nan 8.270 nan 0.000 0.420 442 L N 0.296 121.516 121.223 -0.006 0.000 2.081 442 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 442 L C 2.617 179.516 176.870 0.047 0.000 1.080 442 L CA 1.079 55.929 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 -0.075 122.768 122.820 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 2.051 54.145 52.037 0.095 0.000 0.623 443 A CB -0.879 18.123 19.000 0.004 0.000 0.826 443 A HN 0.195 nan 8.150 nan 0.000 0.444 444 V N 0.239 120.236 119.914 0.139 0.000 2.295 444 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 444 V C 2.358 178.528 176.094 0.126 0.000 1.049 444 V CA 2.241 64.609 62.300 0.113 0.000 1.024 444 V CB -1.121 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 0.501 120.743 120.200 0.070 0.000 2.130 445 E HA -0.250 4.100 4.350 -0.000 0.000 0.196 445 E C 2.308 178.969 176.600 0.103 0.000 0.998 445 E CA 1.404 57.845 56.400 0.068 0.000 0.806 445 E CB -0.340 29.383 29.700 0.038 0.000 0.738 445 E HN 0.631 nan 8.360 nan 0.000 0.459 446 A N 1.095 123.996 122.820 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 1.446 53.567 52.037 0.139 0.000 0.616 446 A CB -1.031 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 0.839 121.186 120.300 0.077 0.000 2.173 447 Y HA -0.304 4.246 4.550 -0.000 0.000 0.282 447 Y C 2.655 178.545 175.900 -0.018 0.000 1.192 447 Y CA 1.432 59.473 58.100 -0.099 0.000 1.176 447 Y CB -0.594 37.830 38.460 -0.060 0.000 0.969 447 Y HN 0.331 nan 8.280 nan 0.000 0.519 448 A N 0.103 123.095 122.820 0.287 0.000 1.855 448 A HA -0.193 4.127 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 1.636 53.800 52.037 0.212 0.000 0.613 448 A CB -0.806 18.279 19.000 0.143 0.000 0.829 448 A HN 0.586 nan 8.150 nan 0.000 0.442 449 N N 0.612 119.354 118.700 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 1.627 54.694 53.050 0.028 0.000 0.852 449 N CB -0.521 37.975 38.487 0.016 0.000 1.018 449 N HN 0.474 nan 8.380 nan 0.000 0.423 450 A N 1.593 124.367 122.820 -0.077 0.000 1.940 450 A HA -0.109 4.210 4.320 -0.000 0.000 0.219 450 A C 2.356 179.848 177.584 -0.153 0.000 1.176 450 A CA 0.959 52.873 52.037 -0.205 0.000 0.631 450 A CB -0.770 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 2.492 179.463 176.870 0.169 0.000 1.085 451 L CA 1.609 56.630 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 -0.988 119.268 120.200 0.093 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 1.077 57.517 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 0.012 0.000 2.392 453 S HA -0.193 4.277 4.470 -0.000 0.000 0.232 453 S C 1.884 176.471 174.600 -0.021 0.000 1.041 453 S CA 0.804 58.992 58.200 -0.020 0.000 1.026 453 S CB -0.239 62.919 63.200 -0.069 0.000 0.845 453 S HN 0.142 nan 8.310 nan 0.000 0.465 454 L N 1.999 123.226 121.223 0.006 0.000 1.990 454 L HA -0.126 4.214 4.340 -0.000 0.000 0.213 454 L C 2.446 179.337 176.870 0.036 0.000 1.072 454 L CA 1.934 56.765 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 -4.444 115.527 119.914 0.096 0.000 2.667 455 V HA -0.124 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 1.103 116.844 115.700 0.069 0.000 2.355 456 S HA 0.011 4.481 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 1.931 60.167 58.200 0.061 0.000 0.993 456 S CB -0.482 62.737 63.200 0.032 0.000 0.859 456 S HN 0.633 nan 8.310 nan 0.000 0.453 457 I N 1.439 122.027 120.570 0.030 0.000 2.194 457 I HA -0.239 3.930 4.170 -0.000 0.000 0.246 457 I C 2.363 178.549 176.117 0.115 0.000 1.093 457 I CA 1.185 62.498 61.300 0.023 0.000 1.355 457 I CB -0.397 37.552 38.000 -0.085 0.000 1.046 457 I HN 0.241 nan 8.210 nan 0.000 0.413 458 L N 0.522 121.863 121.223 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 56.400 54.840 0.263 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 -0.043 120.618 120.570 0.152 0.000 2.142 459 I HA -0.289 3.881 4.170 -0.000 0.000 0.240 459 I C 2.399 178.593 176.117 0.127 0.000 1.078 459 I CA 1.443 62.847 61.300 0.173 0.000 1.343 459 I CB -1.503 36.596 38.000 0.166 0.000 1.046 459 I HN 0.364 nan 8.210 nan 0.000 0.405 460 E N 1.246 121.495 120.200 0.083 0.000 2.082 460 E HA -0.297 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 58.539 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 0.148 118.855 118.700 0.012 0.000 2.513 461 N HA -0.130 4.609 4.740 -0.000 0.000 0.187 461 N C 1.560 177.020 175.510 -0.082 0.000 1.056 461 N CA 0.377 53.415 53.050 -0.020 0.000 0.907 461 N CB -0.047 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 0.485 123.256 122.820 -0.081 0.000 2.072 462 A HA 0.289 4.609 4.320 -0.000 0.000 0.216 462 A C 1.693 178.951 177.584 -0.544 0.000 1.156 462 A CA 0.973 52.898 52.037 -0.186 0.000 0.701 462 A CB -0.061 18.993 19.000 0.090 0.000 0.816 462 A HN 0.311 nan 8.150 nan 0.000 0.458 463 G N -2.430 106.100 108.800 -0.451 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 -0.195 174.322 174.900 -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 0.267 120.212 119.950 -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 40.023 39.000 0.010 0.000 1.258 464 F HN -0.049 nan 8.300 nan 0.000 0.484 465 D N 4.154 124.687 120.400 0.223 0.000 2.363 465 D HA 0.045 4.685 4.640 -0.000 0.000 0.263 465 D C -1.442 174.928 176.300 0.116 0.000 1.258 465 D CA -1.485 52.588 54.000 0.122 0.000 0.907 465 D CB 1.191 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 -0.207 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 0.779 63.927 63.100 0.080 0.000 0.874 466 P CB 0.414 32.147 31.700 0.055 0.000 0.790 467 I N 0.576 121.176 120.570 0.050 0.000 2.179 467 I HA -0.181 3.988 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 -1.799 36.219 38.000 0.029 0.000 1.051 467 I HN -0.035 nan 8.210 nan 0.000 0.409 468 D N 1.286 121.714 120.400 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 1.344 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 0.257 nan 8.370 nan 0.000 0.446 469 L N 0.247 121.497 121.223 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 41.694 42.059 0.029 0.000 0.899 469 L HN 0.098 nan 8.230 nan 0.000 0.433 470 L N -0.654 120.607 121.223 0.063 0.000 2.012 470 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 470 L C 2.767 179.672 176.870 0.060 0.000 1.073 470 L CA 1.367 56.246 54.840 0.065 0.000 0.748 470 L CB -0.044 42.049 42.059 0.056 0.000 0.891 470 L HN 0.287 nan 8.230 nan 0.000 0.431 471 M N -0.403 119.227 119.600 0.049 0.000 2.099 471 M HA -0.243 4.237 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 0.121 120.550 120.400 0.048 0.000 2.211 472 K HA -0.168 4.152 4.320 -0.000 0.000 0.204 472 K C 1.950 178.595 176.600 0.074 0.000 1.047 472 K CA 0.892 57.208 56.287 0.048 0.000 0.935 472 K CB 0.032 32.552 32.500 0.034 0.000 0.728 472 K HN 0.205 nan 8.250 nan 0.000 0.452 473 L N 1.664 122.947 121.223 0.100 0.000 2.130 473 L HA -0.057 4.283 4.340 -0.000 0.000 0.200 473 L C 2.044 179.047 176.870 0.223 0.000 1.075 473 L CA 1.515 56.456 54.840 0.170 0.000 0.768 473 L CB -0.877 41.288 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 4.241 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 1.288 57.452 56.100 0.106 0.000 1.017 474 R CB -0.553 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 0.987 59.223 58.200 0.059 0.000 0.957 475 S CB -0.036 63.188 63.200 0.040 0.000 0.826 475 S HN 0.398 nan 8.310 nan 0.000 0.491 476 T N 0.137 114.720 114.554 0.049 0.000 3.227 476 T HA 0.048 4.398 4.350 -0.000 0.000 0.257 476 T C 0.342 174.941 174.700 -0.169 0.000 1.162 476 T CA 0.561 62.630 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 0.090 119.124 119.070 -0.059 0.000 2.487 477 H HA 0.309 4.865 4.556 -0.000 0.000 0.290 477 H C 1.645 176.929 175.328 -0.073 0.000 1.081 477 H CA -0.200 55.807 56.048 -0.068 0.000 1.116 477 H CB 0.530 30.285 29.762 -0.013 0.000 1.560 477 H HN 0.231 nan 8.280 nan 0.000 0.548 478 E N 0.302 120.492 120.200 -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 0.366 56.750 56.400 -0.026 0.000 0.803 478 E CB -0.095 29.587 29.700 -0.029 0.000 0.761 478 E HN 0.377 nan 8.360 nan 0.000 0.451 479 N N 3.144 121.766 118.700 -0.131 0.000 2.411 479 N HA -0.085 4.655 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 53.190 53.050 -0.160 0.000 0.943 479 N CB 0.859 39.206 38.487 -0.233 0.000 1.266 479 N HN 0.109 nan 8.380 nan 0.000 0.486 480 E N 2.578 122.708 120.200 -0.118 0.000 2.301 480 E HA -0.213 4.137 4.350 -0.000 0.000 0.202 480 E C 0.034 176.544 176.600 -0.151 0.000 1.017 480 E CA 1.394 57.725 56.400 -0.114 0.000 0.831 480 E CB -0.149 29.496 29.700 -0.091 0.000 0.742 480 E HN 0.589 nan 8.360 nan 0.000 0.491 481 N N -0.451 118.153 118.700 -0.161 0.000 2.346 481 N HA 0.076 4.816 4.740 -0.000 0.000 0.225 481 N C -0.124 175.276 175.510 -0.183 0.000 1.144 481 N CA -0.016 52.940 53.050 -0.156 0.000 0.837 481 N CB 0.283 38.703 38.487 -0.111 0.000 1.069 481 N HN 0.097 nan 8.380 nan 0.000 0.487 482 N N 0.305 118.845 118.700 -0.267 0.000 2.159 482 N HA -0.019 4.720 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 -0.145 52.701 53.050 -0.339 0.000 0.896 482 N CB 0.441 38.361 38.487 -0.945 0.000 1.064 482 N HN 0.236 nan 8.380 nan 0.000 0.518 483 K N 0.685 120.982 120.400 -0.173 0.000 2.108 483 K HA -0.265 4.055 4.320 -0.000 0.000 0.219 483 K C 0.652 177.337 176.600 0.142 0.000 1.054 483 K CA 1.791 58.002 56.287 -0.127 0.000 0.945 483 K CB -0.777 31.408 32.500 -0.525 0.000 0.728 483 K HN 0.368 nan 8.250 nan 0.000 0.462 484 W N 0.100 121.529 121.300 0.215 0.000 3.216 484 W HA 0.100 4.760 4.660 -0.000 0.000 0.247 484 W C -0.094 176.591 176.519 0.276 0.000 1.326 484 W CA -1.329 56.167 57.345 0.250 0.000 1.564 484 W CB -0.106 29.485 29.460 0.218 0.000 1.113 484 W HN 0.022 nan 8.180 nan 0.000 0.722 485 Y N 1.198 121.659 120.300 0.268 0.000 2.359 485 Y HA 0.408 4.958 4.550 -0.000 0.000 0.330 485 Y C 0.899 176.976 175.900 0.294 0.000 1.143 485 Y CA 0.258 58.447 58.100 0.149 0.000 1.318 485 Y CB 0.706 39.076 38.460 -0.149 0.000 1.234 485 Y HN -0.104 nan 8.280 nan 0.000 0.522 486 G N 2.463 111.424 108.800 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 1.312 121.955 120.570 0.122 0.000 2.390 487 I HA 0.191 4.361 4.170 -0.000 0.000 0.283 487 I C -1.013 175.146 176.117 0.069 0.000 1.016 487 I CA -0.525 60.823 61.300 0.079 0.000 1.151 487 I CB 1.681 39.726 38.000 0.075 0.000 1.293 487 I HN 0.417 nan 8.210 nan 0.000 0.458 488 D N 6.978 127.404 120.400 0.044 0.000 2.426 488 D HA -0.007 4.633 4.640 -0.000 0.000 0.261 488 D C 0.680 177.064 176.300 0.140 0.000 1.245 488 D CA -0.058 53.992 54.000 0.083 0.000 0.917 488 D CB 0.840 41.669 40.800 0.048 0.000 1.123 488 D HN 0.280 nan 8.370 nan 0.000 0.508 489 L N 4.645 126.009 121.223 0.236 0.000 2.855 489 L HA -0.022 4.318 4.340 -0.000 0.000 0.257 489 L C -0.038 176.972 176.870 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 -1.496 118.905 120.300 0.169 0.000 2.460 490 Y HA 0.264 4.814 4.550 -0.000 0.000 0.276 490 Y C 1.946 177.937 175.900 0.152 0.000 1.119 490 Y CA 0.361 58.562 58.100 0.169 0.000 1.181 490 Y CB 0.255 38.763 38.460 0.080 0.000 1.304 490 Y HN 0.098 nan 8.280 nan 0.000 0.536 491 A N -0.339 122.597 122.820 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 -0.145 0.000 1.209 491 A CA 0.533 52.605 52.037 0.059 0.000 0.910 491 A CB -0.412 18.610 19.000 0.037 0.000 0.946 491 A HN 0.541 nan 8.150 nan 0.000 0.497 492 G N -0.292 108.277 108.800 -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 0.673 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 0.092 119.772 119.800 -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 30.606 28.738 -0.057 0.000 1.591 493 Q HN 0.175 nan 8.270 nan 0.000 0.412 494 P HA 0.098 nan 4.420 nan 0.000 0.267 494 P C -1.104 176.245 177.300 0.081 0.000 1.209 494 P CA 0.043 63.215 63.100 0.120 0.000 0.763 494 P CB 0.611 32.433 31.700 0.203 0.000 0.816 495 V N -0.155 119.706 119.914 -0.087 0.000 3.182 495 V HA 0.565 4.684 4.120 -0.000 0.000 0.308 495 V C -0.771 174.840 176.094 -0.806 0.000 1.240 495 V CA -1.084 60.985 62.300 -0.385 0.000 1.063 495 V CB 2.210 33.921 31.823 -0.186 0.000 1.076 495 V HN 0.234 nan 8.190 nan 0.000 0.446 496 D N 1.915 121.745 120.400 -0.949 0.000 2.344 496 D HA 0.241 4.881 4.640 -0.000 0.000 0.253 496 D C 1.095 177.294 176.300 -0.169 0.000 1.255 496 D CA -0.212 53.398 54.000 -0.649 0.000 0.894 496 D CB 1.248 41.842 40.800 -0.343 0.000 1.067 496 D HN 0.526 nan 8.370 nan 0.000 0.492 497 M N 2.972 122.554 119.600 -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 -1.005 31.631 32.600 0.060 0.000 1.328 497 M HN 0.634 nan 8.290 nan 0.000 0.405 498 W N 2.028 123.257 121.300 -0.119 0.000 2.301 498 W HA -0.254 4.406 4.660 -0.000 0.000 0.325 498 W C 1.137 177.583 176.519 -0.122 0.000 1.250 498 W CA 1.664 58.883 57.345 -0.211 0.000 1.261 498 W CB -0.733 28.530 29.460 -0.329 0.000 1.157 498 W HN 0.364 nan 8.180 nan 0.000 0.473 499 Q N 0.288 120.247 119.800 0.264 0.000 2.319 499 Q HA -0.048 4.292 4.340 -0.000 0.000 0.217 499 Q C 0.625 176.630 176.000 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 0.227 nan 8.270 nan 0.000 0.465 500 K N -1.193 119.169 120.400 -0.063 0.000 2.625 500 K HA 0.136 4.456 4.320 -0.000 0.000 0.190 500 K C -0.005 176.510 176.600 -0.141 0.000 1.174 500 K CA 0.154 56.387 56.287 -0.091 0.000 1.103 500 K CB 1.532 33.982 32.500 -0.083 0.000 0.900 500 K HN 0.253 nan 8.250 nan 0.000 0.540 501 G N 1.638 110.313 108.800 -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 0.053 44.998 45.100 -0.258 0.000 1.172 501 G HN 0.115 nan 8.290 nan 0.000 0.516 502 V N 1.487 121.213 119.914 -0.313 0.000 2.558 502 V HA 0.492 4.612 4.120 -0.000 0.000 0.261 502 V C -0.142 175.755 176.094 -0.330 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 1.960 122.301 120.570 -0.383 0.000 2.846 503 I HA 0.676 4.846 4.170 -0.000 0.000 0.307 503 I C 0.030 175.992 176.117 -0.257 0.000 1.053 503 I CA -0.467 60.581 61.300 -0.420 0.000 1.050 503 I CB 2.210 39.797 38.000 -0.689 0.000 1.239 503 I HN 0.390 nan 8.210 nan 0.000 0.439 504 E N 2.928 123.009 120.200 -0.198 0.000 2.383 504 E HA 0.388 4.737 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 -2.104 54.221 56.400 -0.125 0.000 0.764 504 E CB 1.911 31.559 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 0.102 177.393 177.300 -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 3.837 126.660 122.820 0.005 0.000 2.245 506 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 506 A C 1.687 179.286 177.584 0.026 0.000 1.171 506 A CA 1.263 53.321 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 0.507 nan 8.150 nan 0.000 0.479 507 L N -1.594 119.637 121.223 0.013 0.000 2.253 507 L HA 0.106 4.446 4.340 -0.000 0.000 0.205 507 L C 2.295 179.169 176.870 0.007 0.000 1.078 507 L CA 1.332 56.180 54.840 0.014 0.000 0.805 507 L CB -0.251 41.816 42.059 0.014 0.000 0.963 507 L HN 0.138 nan 8.230 nan 0.000 0.459 508 V N 0.134 120.047 119.914 -0.001 0.000 2.255 508 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 508 V C 2.355 178.447 176.094 -0.002 0.000 1.051 508 V CA 2.254 64.553 62.300 -0.003 0.000 1.018 508 V CB -0.293 31.523 31.823 -0.013 0.000 0.641 508 V HN 0.575 nan 8.190 nan 0.000 0.445 509 K N -1.118 119.279 120.400 -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 0.712 56.993 56.287 -0.011 0.000 1.093 509 K CB -0.031 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 -1.100 118.494 119.600 -0.010 0.000 2.800 510 M HA 0.050 4.530 4.480 -0.000 0.000 0.257 510 M C 0.932 177.229 176.300 -0.006 0.000 1.309 510 M CA 0.817 56.113 55.300 -0.007 0.000 1.202 510 M CB 0.285 32.892 32.600 0.012 0.000 1.273 510 M HN 0.134 nan 8.290 nan 0.000 0.528 511 N N 0.610 119.312 118.700 0.004 0.000 2.309 511 N HA -0.044 4.696 4.740 -0.000 0.000 0.182 511 N C 1.672 177.188 175.510 0.010 0.000 1.018 511 N CA 0.831 53.890 53.050 0.014 0.000 0.876 511 N CB -0.007 38.492 38.487 0.020 0.000 0.972 511 N HN 0.386 nan 8.380 nan 0.000 0.434 512 A N 2.047 124.863 122.820 -0.006 0.000 1.865 512 A HA -0.155 4.165 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 1.083 53.113 52.037 -0.011 0.000 0.623 512 A CB -0.547 18.438 19.000 -0.025 0.000 0.826 512 A HN 0.130 nan 8.150 nan 0.000 0.444 513 I N 0.128 120.633 120.570 -0.107 0.000 2.151 513 I HA -0.279 3.891 4.170 -0.000 0.000 0.243 513 I C 2.242 178.379 176.117 0.033 0.000 1.080 513 I CA 1.945 63.158 61.300 -0.144 0.000 1.339 513 I CB -1.431 36.485 38.000 -0.140 0.000 1.039 513 I HN 0.405 nan 8.210 nan 0.000 0.409 514 K N 1.059 121.484 120.400 0.041 0.000 2.057 514 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 514 K C 2.304 178.956 176.600 0.085 0.000 1.049 514 K CA 1.580 57.911 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 4.155 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 2.084 54.164 52.037 0.072 0.000 0.621 515 A CB -1.133 17.901 19.000 0.058 0.000 0.835 515 A HN 0.325 nan 8.150 nan 0.000 0.445 516 A N -1.143 121.753 122.820 0.126 0.000 1.903 516 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 516 A C 2.306 179.989 177.584 0.164 0.000 1.191 516 A CA 2.747 54.896 52.037 0.187 0.000 0.638 516 A CB -1.576 17.671 19.000 0.411 0.000 0.823 516 A HN 0.492 nan 8.150 nan 0.000 0.451 517 T N -0.693 113.982 114.554 0.201 0.000 2.867 517 T HA -0.102 4.247 4.350 -0.000 0.000 0.268 517 T C 1.829 176.625 174.700 0.161 0.000 1.057 517 T CA 1.613 63.828 62.100 0.191 0.000 1.136 517 T CB -0.212 68.829 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 1.223 124.091 122.820 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 54.979 52.037 0.065 0.000 0.622 519 A CB -1.500 17.535 19.000 0.058 0.000 0.831 519 A HN 0.477 nan 8.150 nan 0.000 0.444 520 A N -0.351 122.511 122.820 0.070 0.000 1.869 520 A HA -0.248 4.072 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 3.406 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 63.551 62.100 0.128 0.000 1.127 521 T CB -0.337 68.622 68.868 0.151 0.000 0.883 521 T HN 0.223 nan 8.240 nan 0.000 0.493 522 L N 1.331 122.594 121.223 0.066 0.000 2.093 522 L HA 0.141 4.481 4.340 -0.000 0.000 0.208 522 L C 2.567 179.457 176.870 0.034 0.000 1.085 522 L CA 1.215 56.083 54.840 0.047 0.000 0.755 522 L CB -0.644 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 -0.561 119.375 119.914 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 1.590 63.907 62.300 0.028 0.000 1.049 523 V CB -0.613 31.228 31.823 0.029 0.000 0.662 523 V HN 0.351 nan 8.190 nan 0.000 0.455 524 L N -0.352 120.872 121.223 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 1.489 56.308 54.840 -0.035 0.000 0.783 524 L CB -0.797 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 0.125 120.614 120.500 -0.018 0.000 2.148 525 R HA -0.034 4.305 4.340 -0.000 0.000 0.227 525 R C 0.550 176.844 176.300 -0.010 0.000 1.103 525 R CA 0.642 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 0.972 177.087 176.117 -0.003 0.000 1.109 526 I CA 0.636 61.938 61.300 0.003 0.000 1.412 526 I CB 0.924 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 3.477 123.878 120.400 0.002 0.000 2.380 527 D HA -0.002 4.638 4.640 -0.000 0.000 0.212 527 D C -0.004 176.302 176.300 0.010 0.000 1.021 527 D CA 0.595 54.597 54.000 0.003 0.000 0.884 527 D CB 0.913 41.719 40.800 0.010 0.000 1.001 527 D HN 0.656 nan 8.370 nan 0.000 0.506 528 D N -0.450 119.958 120.400 0.013 0.000 2.685 528 D HA 0.159 4.799 4.640 -0.000 0.000 0.236 528 D C -1.356 174.952 176.300 0.013 0.000 1.233 528 D CA -0.579 53.430 54.000 0.016 0.000 0.760 528 D CB 2.028 42.837 40.800 0.014 0.000 1.410 528 D HN -0.126 nan 8.370 nan 0.000 0.439 529 V N 0.004 119.926 119.914 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 -0.661 61.640 62.300 0.001 0.000 0.859 529 V CB 1.488 33.305 31.823 -0.011 0.000 0.988 529 V HN 0.357 nan 8.190 nan 0.000 0.431 530 V N 4.602 124.512 119.914 -0.006 0.000 2.482 530 V HA 0.680 4.800 4.120 -0.000 0.000 0.295 530 V C 0.265 176.353 176.094 -0.011 0.000 1.026 530 V CA 0.166 62.463 62.300 -0.005 0.000 0.856 530 V CB 1.665 33.488 31.823 -0.001 0.000 1.001 530 V HN 1.249 nan 8.190 nan 0.000 0.424 531 S N 4.051 119.743 115.700 -0.014 0.000 2.704 531 S HA 0.973 5.442 4.470 -0.000 0.000 0.305 531 S C -0.057 174.537 174.600 -0.011 0.000 1.107 531 S CA -0.156 58.034 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