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 3eaf_1_A DATA FIRST_RESID 43 DATA SEQUENCE SLTINVGLLV DETGPTSDVG KGYSLGAELA FKYFNEKGIY TKDGVRVNIN DATA SEQUENCE YIKRDYAYNP TTAEEYYREF RDRYGVIAII GWGTADTEKL SDQVDTDKIT DATA SEQUENCE YISASYSAKL LVKPFNFYPA PDYSTQACSG LAFLASEFGQ GKLALAYDSK DATA SEQUENCE VAYSRSPIGA IKKAAPSLGL QVVGDYDLPL RATEADAERI AREXLAADPD DATA SEQUENCE YVWCGNTISS CSLLGRAXAK VGLDAFLLTN VWGFDERSPQ LIGEGGYGKV DATA SEQUENCE FGISPFIYPX FGQDVEGIQT IFEAARXNGV SEDQINLRVV QGFVNVWLLI DATA SEQUENCE KAIESVTSQD LQERGGEALK EALEANTFDL GGITADTIDY EPGFHLAYRK DATA SEQUENCE VFIIKLGENG ELQLXGKFEA PSQVDCARYT IEEG 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 43 S HA 0.000 nan 4.470 nan 0.000 0.327 43 S C 0.000 174.600 174.600 0.000 0.000 1.055 43 S CA 0.000 58.203 58.200 0.005 0.000 1.107 43 S CB 0.000 63.215 63.200 0.026 0.000 0.593 44 L N 2.477 123.693 121.223 -0.011 0.000 2.362 44 L HA 0.626 4.966 4.340 -0.000 0.000 0.275 44 L C -0.995 175.861 176.870 -0.023 0.000 0.998 44 L CA -0.342 54.491 54.840 -0.011 0.000 0.820 44 L CB 2.146 44.202 42.059 -0.005 0.000 1.270 44 L HN 0.130 nan 8.230 nan 0.000 0.415 45 T N 4.250 118.793 114.554 -0.019 0.000 2.807 45 T HA 0.628 4.978 4.350 -0.000 0.000 0.279 45 T C -0.306 174.381 174.700 -0.023 0.000 0.993 45 T CA -0.351 61.733 62.100 -0.027 0.000 0.970 45 T CB 1.567 70.418 68.868 -0.029 0.000 0.950 45 T HN 0.470 nan 8.240 nan 0.000 0.441 46 I N 0.431 120.982 120.570 -0.031 0.000 2.693 46 I HA 0.694 4.864 4.170 -0.000 0.000 0.303 46 I C -0.757 175.325 176.117 -0.058 0.000 1.025 46 I CA -1.141 60.142 61.300 -0.029 0.000 1.086 46 I CB 1.862 39.851 38.000 -0.018 0.000 1.268 46 I HN 0.255 nan 8.210 nan 0.000 0.440 47 N N 3.844 122.509 118.700 -0.058 0.000 2.438 47 N HA 0.585 5.325 4.740 -0.000 0.000 0.282 47 N C -1.047 174.370 175.510 -0.154 0.000 1.037 47 N CA -0.412 52.571 53.050 -0.112 0.000 0.942 47 N CB 2.375 40.832 38.487 -0.050 0.000 1.136 47 N HN 0.470 nan 8.380 nan 0.000 0.481 48 V N 0.468 120.227 119.914 -0.258 0.000 2.577 48 V HA 0.555 4.675 4.120 -0.000 0.000 0.303 48 V C 0.629 176.425 176.094 -0.496 0.000 1.042 48 V CA -1.065 61.065 62.300 -0.284 0.000 0.872 48 V CB 1.826 33.552 31.823 -0.163 0.000 0.998 48 V HN 0.737 nan 8.190 nan 0.000 0.423 49 G N 3.221 111.582 108.800 -0.732 0.000 2.432 49 G HA2 0.520 4.479 3.960 -0.000 0.000 0.257 49 G HA3 0.520 4.479 3.960 -0.000 0.000 0.257 49 G C -1.023 173.494 174.900 -0.637 0.000 1.238 49 G CA -0.225 44.011 45.100 -1.439 0.000 0.838 49 G HN 0.607 nan 8.290 nan 0.000 0.547 50 L N 2.869 123.889 121.223 -0.338 0.000 2.388 50 L HA 0.541 4.881 4.340 -0.000 0.000 0.267 50 L C -0.955 176.057 176.870 0.236 0.000 0.995 50 L CA -0.910 53.966 54.840 0.060 0.000 0.864 50 L CB 1.482 43.645 42.059 0.175 0.000 1.216 50 L HN 0.372 nan 8.230 nan 0.000 0.430 51 L N 6.774 128.168 121.223 0.284 0.000 2.257 51 L HA 0.754 5.094 4.340 -0.000 0.000 0.290 51 L C -0.513 176.549 176.870 0.318 0.000 1.044 51 L CA -0.202 54.828 54.840 0.316 0.000 0.810 51 L CB 1.321 43.537 42.059 0.261 0.000 1.193 51 L HN 0.516 nan 8.230 nan 0.000 0.425 52 V N 0.861 120.945 119.914 0.284 0.000 3.040 52 V HA 0.668 4.788 4.120 -0.000 0.000 0.312 52 V C -1.103 174.956 176.094 -0.058 0.000 1.115 52 V CA -0.816 61.524 62.300 0.066 0.000 0.998 52 V CB 2.048 33.892 31.823 0.035 0.000 1.042 52 V HN 0.653 nan 8.190 nan 0.000 0.433 53 D N 1.100 121.112 120.400 -0.647 0.000 2.472 53 D HA 0.391 5.031 4.640 -0.000 0.000 0.234 53 D C 0.455 176.504 176.300 -0.418 0.000 1.088 53 D CA -0.074 53.590 54.000 -0.561 0.000 0.882 53 D CB 1.524 41.890 40.800 -0.724 0.000 1.037 53 D HN 0.749 nan 8.370 nan 0.000 0.520 54 E N 0.990 121.062 120.200 -0.214 0.000 2.460 54 E HA 0.035 4.385 4.350 -0.000 0.000 0.200 54 E C 0.866 177.405 176.600 -0.103 0.000 1.011 54 E CA 0.415 56.731 56.400 -0.140 0.000 0.912 54 E CB 0.765 30.422 29.700 -0.073 0.000 0.953 54 E HN 0.536 nan 8.360 nan 0.000 0.494 55 T N -3.288 111.204 114.554 -0.102 0.000 3.041 55 T HA 0.243 4.593 4.350 -0.000 0.000 0.276 55 T C 0.850 175.507 174.700 -0.072 0.000 0.948 55 T CA -0.030 62.030 62.100 -0.067 0.000 0.885 55 T CB 0.799 69.645 68.868 -0.037 0.000 1.175 55 T HN 0.061 nan 8.240 nan 0.000 0.529 56 G N 2.284 111.021 108.800 -0.106 0.000 2.543 56 G HA2 0.539 4.498 3.960 -0.000 0.000 0.267 56 G HA3 0.539 4.498 3.960 -0.000 0.000 0.267 56 G C -1.582 173.257 174.900 -0.102 0.000 1.406 56 G CA -1.279 43.766 45.100 -0.091 0.000 1.048 56 G HN 0.048 nan 8.290 nan 0.000 0.548 57 P HA -0.001 nan 4.420 nan 0.000 0.233 57 P C 1.097 178.280 177.300 -0.195 0.000 1.167 57 P CA 1.435 64.463 63.100 -0.121 0.000 0.770 57 P CB 0.195 31.841 31.700 -0.091 0.000 0.837 58 T N -4.293 110.093 114.554 -0.279 0.000 3.182 58 T HA 0.144 4.494 4.350 -0.000 0.000 0.277 58 T C 1.398 176.022 174.700 -0.127 0.000 1.013 58 T CA 0.200 62.164 62.100 -0.227 0.000 0.900 58 T CB -0.777 67.876 68.868 -0.360 0.000 1.098 58 T HN 0.059 nan 8.240 nan 0.000 0.543 59 S N 1.924 117.533 115.700 -0.152 0.000 2.481 59 S HA -0.130 4.340 4.470 -0.000 0.000 0.231 59 S C 1.690 176.249 174.600 -0.069 0.000 0.996 59 S CA 0.795 58.904 58.200 -0.153 0.000 0.942 59 S CB -0.526 62.594 63.200 -0.134 0.000 0.768 59 S HN 0.697 nan 8.310 nan 0.000 0.520 60 D N 2.964 123.347 120.400 -0.029 0.000 2.158 60 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 60 D C 1.865 178.208 176.300 0.071 0.000 0.995 60 D CA 1.851 55.862 54.000 0.018 0.000 0.846 60 D CB -0.844 39.974 40.800 0.029 0.000 0.941 60 D HN 0.638 nan 8.370 nan 0.000 0.456 61 V N -3.423 116.562 119.914 0.118 0.000 3.621 61 V HA 0.478 4.598 4.120 -0.000 0.000 0.263 61 V C 2.166 178.396 176.094 0.227 0.000 1.272 61 V CA 0.608 63.069 62.300 0.269 0.000 1.080 61 V CB -0.093 32.028 31.823 0.497 0.000 0.816 61 V HN 0.230 nan 8.190 nan 0.000 0.451 62 G N 0.771 109.532 108.800 -0.065 0.000 2.403 62 G HA2 -0.125 3.834 3.960 -0.000 0.000 0.216 62 G HA3 -0.125 3.834 3.960 -0.000 0.000 0.216 62 G C 1.535 176.294 174.900 -0.235 0.000 1.154 62 G CA 0.860 45.634 45.100 -0.543 0.000 0.784 62 G HN 0.507 nan 8.290 nan 0.000 0.538 63 K N 0.191 120.526 120.400 -0.108 0.000 2.032 63 K HA -0.059 4.261 4.320 -0.000 0.000 0.209 63 K C 2.758 179.370 176.600 0.020 0.000 1.048 63 K CA 1.115 57.375 56.287 -0.044 0.000 0.927 63 K CB -0.457 32.025 32.500 -0.029 0.000 0.712 63 K HN 0.256 nan 8.250 nan 0.000 0.441 64 G N 0.430 109.270 108.800 0.067 0.000 2.421 64 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.216 64 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.216 64 G C 1.430 176.414 174.900 0.140 0.000 1.171 64 G CA 0.900 46.054 45.100 0.089 0.000 0.775 64 G HN 0.343 nan 8.290 nan 0.000 0.543 65 Y N 1.598 121.959 120.300 0.101 0.000 2.128 65 Y HA -0.183 4.367 4.550 -0.000 0.000 0.284 65 Y C 3.139 179.073 175.900 0.057 0.000 1.154 65 Y CA 2.060 60.254 58.100 0.156 0.000 1.149 65 Y CB -0.405 38.248 38.460 0.322 0.000 0.976 65 Y HN 0.249 nan 8.280 nan 0.000 0.505 66 S N -0.203 115.579 115.700 0.136 0.000 2.356 66 S HA -0.199 4.271 4.470 -0.000 0.000 0.223 66 S C 2.026 176.609 174.600 -0.029 0.000 1.032 66 S CA 1.404 59.625 58.200 0.034 0.000 1.005 66 S CB -0.834 62.386 63.200 0.033 0.000 0.867 66 S HN 0.498 nan 8.310 nan 0.000 0.449 67 L N 1.810 123.027 121.223 -0.010 0.000 2.012 67 L HA 0.066 4.406 4.340 -0.000 0.000 0.210 67 L C 2.319 179.163 176.870 -0.045 0.000 1.073 67 L CA 2.449 57.279 54.840 -0.017 0.000 0.748 67 L CB -1.443 40.612 42.059 -0.006 0.000 0.891 67 L HN 0.369 nan 8.230 nan 0.000 0.431 68 G N -1.282 107.481 108.800 -0.063 0.000 2.408 68 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 68 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 68 G C 1.589 176.403 174.900 -0.143 0.000 1.150 68 G CA 0.790 45.861 45.100 -0.047 0.000 0.776 68 G HN 0.664 nan 8.290 nan 0.000 0.542 69 A N 0.776 123.411 122.820 -0.309 0.000 1.898 69 A HA 0.007 4.326 4.320 -0.000 0.000 0.216 69 A C 2.168 179.496 177.584 -0.426 0.000 1.181 69 A CA 1.829 53.584 52.037 -0.470 0.000 0.620 69 A CB -0.341 18.387 19.000 -0.453 0.000 0.819 69 A HN 0.431 nan 8.150 nan 0.000 0.442 70 E N -0.225 119.847 120.200 -0.214 0.000 2.072 70 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 70 E C 2.009 178.551 176.600 -0.097 0.000 0.985 70 E CA 0.902 57.209 56.400 -0.155 0.000 0.801 70 E CB -0.290 29.413 29.700 0.005 0.000 0.750 70 E HN 0.597 nan 8.360 nan 0.000 0.452 71 L N 0.678 121.864 121.223 -0.063 0.000 2.013 71 L HA -0.271 4.069 4.340 -0.000 0.000 0.212 71 L C 2.602 179.429 176.870 -0.070 0.000 1.073 71 L CA 1.330 56.168 54.840 -0.003 0.000 0.753 71 L CB -0.504 41.593 42.059 0.062 0.000 0.890 71 L HN 0.168 nan 8.230 nan 0.000 0.432 72 A N -0.456 122.155 122.820 -0.349 0.000 1.873 72 A HA -0.208 4.112 4.320 -0.000 0.000 0.215 72 A C 1.983 179.346 177.584 -0.369 0.000 1.186 72 A CA 1.381 52.920 52.037 -0.830 0.000 0.616 72 A CB -0.757 17.426 19.000 -1.361 0.000 0.823 72 A HN 0.271 nan 8.150 nan 0.000 0.442 73 F N 0.482 120.252 119.950 -0.301 0.000 2.095 73 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 73 F C 2.333 178.089 175.800 -0.072 0.000 1.104 73 F CA 1.929 59.795 58.000 -0.223 0.000 1.232 73 F CB -0.462 38.200 39.000 -0.564 0.000 0.987 73 F HN 0.160 nan 8.300 nan 0.000 0.475 74 K N -1.354 119.128 120.400 0.138 0.000 2.057 74 K HA -0.220 4.100 4.320 -0.000 0.000 0.206 74 K C 2.021 178.646 176.600 0.041 0.000 1.050 74 K CA 1.571 57.927 56.287 0.114 0.000 0.935 74 K CB -0.629 31.936 32.500 0.108 0.000 0.715 74 K HN 0.229 nan 8.250 nan 0.000 0.439 75 Y N 0.781 120.980 120.300 -0.168 0.000 2.089 75 Y HA -0.258 4.292 4.550 -0.000 0.000 0.282 75 Y C 1.860 177.567 175.900 -0.321 0.000 1.139 75 Y CA 1.642 59.555 58.100 -0.312 0.000 1.123 75 Y CB -0.362 37.784 38.460 -0.524 0.000 0.980 75 Y HN -0.097 nan 8.280 nan 0.000 0.493 76 F N 0.450 120.331 119.950 -0.114 0.000 2.186 76 F HA -0.175 4.352 4.527 -0.000 0.000 0.299 76 F C 2.253 177.954 175.800 -0.164 0.000 1.090 76 F CA 1.275 59.155 58.000 -0.201 0.000 1.307 76 F CB -0.990 37.917 39.000 -0.156 0.000 1.019 76 F HN 0.106 nan 8.300 nan 0.000 0.489 77 N N 0.531 119.271 118.700 0.067 0.000 2.036 77 N HA -0.233 4.506 4.740 -0.000 0.000 0.195 77 N C 1.974 177.451 175.510 -0.055 0.000 1.037 77 N CA 1.722 54.780 53.050 0.013 0.000 0.855 77 N CB -0.562 37.955 38.487 0.049 0.000 1.033 77 N HN 0.279 nan 8.380 nan 0.000 0.423 78 E N 1.102 121.249 120.200 -0.087 0.000 2.072 78 E HA -0.074 4.276 4.350 -0.000 0.000 0.191 78 E C 1.534 178.049 176.600 -0.142 0.000 0.985 78 E CA 1.234 57.570 56.400 -0.106 0.000 0.801 78 E CB 0.050 29.686 29.700 -0.107 0.000 0.750 78 E HN 0.082 nan 8.360 nan 0.000 0.452 79 K N -0.336 119.915 120.400 -0.248 0.000 2.148 79 K HA 0.075 4.395 4.320 -0.000 0.000 0.204 79 K C 0.459 177.033 176.600 -0.044 0.000 1.050 79 K CA 1.037 57.196 56.287 -0.214 0.000 0.942 79 K CB -0.240 32.015 32.500 -0.409 0.000 0.724 79 K HN 0.262 nan 8.250 nan 0.000 0.446 80 G N 1.377 110.139 108.800 -0.063 0.000 3.438 80 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.684 80 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.684 80 G C -0.844 173.936 174.900 -0.200 0.000 1.192 80 G CA -0.867 44.148 45.100 -0.141 0.000 1.013 80 G HN 0.078 nan 8.290 nan 0.000 0.530 81 I N 2.459 122.799 120.570 -0.383 0.000 2.321 81 I HA 0.542 4.712 4.170 -0.000 0.000 0.291 81 I C -0.360 175.469 176.117 -0.481 0.000 0.998 81 I CA -0.876 60.273 61.300 -0.251 0.000 1.227 81 I CB 1.178 39.102 38.000 -0.126 0.000 1.368 81 I HN 0.448 nan 8.210 nan 0.000 0.466 82 Y N 3.380 123.698 120.300 0.029 0.000 2.376 82 Y HA 0.393 4.943 4.550 -0.000 0.000 0.340 82 Y C 0.867 176.781 175.900 0.024 0.000 0.965 82 Y CA -0.994 57.121 58.100 0.025 0.000 1.078 82 Y CB 1.919 40.394 38.460 0.026 0.000 1.193 82 Y HN 0.603 nan 8.280 nan 0.000 0.452 83 T N -1.414 113.234 114.554 0.157 0.000 2.701 83 T HA 0.120 4.470 4.350 -0.000 0.000 0.303 83 T C 1.165 175.930 174.700 0.108 0.000 1.030 83 T CA -0.593 61.569 62.100 0.104 0.000 1.010 83 T CB 0.754 69.666 68.868 0.074 0.000 1.007 83 T HN 0.714 nan 8.240 nan 0.000 0.532 84 K N 0.670 121.114 120.400 0.073 0.000 2.103 84 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 84 K C 1.488 178.117 176.600 0.048 0.000 1.048 84 K CA 1.764 58.084 56.287 0.055 0.000 0.930 84 K CB -0.226 32.298 32.500 0.040 0.000 0.716 84 K HN 0.787 nan 8.250 nan 0.000 0.444 85 D N -1.030 119.401 120.400 0.051 0.000 2.325 85 D HA 0.039 4.679 4.640 -0.000 0.000 0.225 85 D C 0.857 177.188 176.300 0.053 0.000 1.096 85 D CA 0.555 54.581 54.000 0.042 0.000 0.844 85 D CB 0.234 41.056 40.800 0.036 0.000 0.925 85 D HN 0.262 nan 8.370 nan 0.000 0.513 86 G N -0.042 108.807 108.800 0.082 0.000 2.136 86 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.242 86 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.242 86 G C 0.089 175.111 174.900 0.203 0.000 0.989 86 G CA 0.142 45.303 45.100 0.102 0.000 0.682 86 G HN 0.360 nan 8.290 nan 0.000 0.522 87 V N 0.945 120.968 119.914 0.182 0.000 2.461 87 V HA 0.386 4.506 4.120 -0.000 0.000 0.275 87 V C 1.249 177.437 176.094 0.158 0.000 1.047 87 V CA -0.475 61.920 62.300 0.158 0.000 0.955 87 V CB 1.350 33.221 31.823 0.080 0.000 0.988 87 V HN 0.520 nan 8.190 nan 0.000 0.471 88 R N 3.748 124.311 120.500 0.105 0.000 2.491 88 R HA 0.405 4.745 4.340 -0.000 0.000 0.283 88 R C -1.054 175.160 176.300 -0.143 0.000 1.072 88 R CA -0.176 55.805 56.100 -0.199 0.000 1.048 88 R CB 0.772 30.954 30.300 -0.197 0.000 0.983 88 R HN 0.552 nan 8.270 nan 0.000 0.450 89 V N 4.669 124.461 119.914 -0.204 0.000 2.448 89 V HA 0.282 4.402 4.120 -0.000 0.000 0.295 89 V C -0.615 175.413 176.094 -0.110 0.000 1.025 89 V CA -0.878 61.355 62.300 -0.111 0.000 0.859 89 V CB 1.817 33.596 31.823 -0.073 0.000 0.988 89 V HN 0.880 nan 8.190 nan 0.000 0.431 90 N N 4.219 122.877 118.700 -0.070 0.000 2.400 90 N HA 0.623 5.363 4.740 -0.000 0.000 0.288 90 N C -0.927 174.562 175.510 -0.035 0.000 1.024 90 N CA -0.558 52.462 53.050 -0.051 0.000 0.894 90 N CB 1.971 40.428 38.487 -0.049 0.000 1.173 90 N HN 0.575 nan 8.380 nan 0.000 0.487 91 I N 1.733 122.296 120.570 -0.011 0.000 2.312 91 I HA 0.167 4.337 4.170 -0.000 0.000 0.290 91 I C -0.159 175.905 176.117 -0.089 0.000 1.008 91 I CA -0.635 60.648 61.300 -0.029 0.000 1.226 91 I CB 0.802 38.837 38.000 0.058 0.000 1.371 91 I HN 0.513 nan 8.210 nan 0.000 0.468 92 N N 7.682 126.295 118.700 -0.144 0.000 2.469 92 N HA 0.140 4.879 4.740 -0.000 0.000 0.239 92 N C -0.929 174.375 175.510 -0.343 0.000 1.053 92 N CA -0.331 52.583 53.050 -0.228 0.000 0.937 92 N CB 0.285 38.665 38.487 -0.178 0.000 1.163 92 N HN 0.391 nan 8.380 nan 0.000 0.509 93 Y N 2.133 122.095 120.300 -0.563 0.000 2.334 93 Y HA 0.704 5.254 4.550 -0.000 0.000 0.328 93 Y C -0.763 174.813 175.900 -0.540 0.000 1.130 93 Y CA -1.246 56.403 58.100 -0.753 0.000 1.163 93 Y CB 0.734 38.333 38.460 -1.434 0.000 1.207 93 Y HN 0.211 nan 8.280 nan 0.000 0.471 94 I N 4.412 124.709 120.570 -0.453 0.000 2.390 94 I HA 0.287 4.457 4.170 -0.000 0.000 0.283 94 I C -0.359 175.694 176.117 -0.106 0.000 1.016 94 I CA -0.654 60.402 61.300 -0.405 0.000 1.151 94 I CB 1.354 38.987 38.000 -0.613 0.000 1.293 94 I HN 0.614 nan 8.210 nan 0.000 0.458 95 K N 6.243 126.619 120.400 -0.040 0.000 2.234 95 K HA 0.513 4.833 4.320 -0.000 0.000 0.282 95 K C -0.646 175.960 176.600 0.011 0.000 1.039 95 K CA -0.598 55.740 56.287 0.086 0.000 0.928 95 K CB 0.650 33.237 32.500 0.144 0.000 1.039 95 K HN 0.400 nan 8.250 nan 0.000 0.470 96 R N 3.256 123.773 120.500 0.027 0.000 2.483 96 R HA 0.109 4.449 4.340 -0.000 0.000 0.303 96 R C -1.421 174.864 176.300 -0.025 0.000 0.987 96 R CA -0.903 55.056 56.100 -0.235 0.000 0.881 96 R CB 1.421 31.269 30.300 -0.752 0.000 1.177 96 R HN 0.739 nan 8.270 nan 0.000 0.451 97 D N 2.647 123.058 120.400 0.018 0.000 2.352 97 D HA -0.006 4.634 4.640 -0.000 0.000 0.245 97 D C 0.739 177.224 176.300 0.308 0.000 1.224 97 D CA -0.177 53.902 54.000 0.131 0.000 0.879 97 D CB 0.355 41.186 40.800 0.053 0.000 1.057 97 D HN 0.608 nan 8.370 nan 0.000 0.491 98 Y N 3.229 123.647 120.300 0.197 0.000 2.457 98 Y HA 0.399 4.949 4.550 -0.000 0.000 0.263 98 Y C 1.333 177.322 175.900 0.149 0.000 1.164 98 Y CA -0.034 58.229 58.100 0.272 0.000 1.274 98 Y CB 0.020 38.667 38.460 0.313 0.000 1.097 98 Y HN 0.381 nan 8.280 nan 0.000 0.523 99 A N 0.381 123.040 122.820 -0.269 0.000 2.799 99 A HA -0.386 3.934 4.320 -0.000 0.000 0.287 99 A C 0.476 177.855 177.584 -0.342 0.000 1.484 99 A CA 1.494 53.370 52.037 -0.269 0.000 0.813 99 A CB -2.970 15.975 19.000 -0.092 0.000 1.009 99 A HN 1.116 nan 8.150 nan 0.000 0.545 100 Y N -2.592 117.042 120.300 -1.111 0.000 4.881 100 Y HA -0.243 4.307 4.550 -0.000 0.000 0.241 100 Y C 0.396 176.112 175.900 -0.305 0.000 0.985 100 Y CA 1.420 59.086 58.100 -0.723 0.000 1.976 100 Y CB -1.507 36.827 38.460 -0.210 0.000 1.528 100 Y HN 0.940 nan 8.280 nan 0.000 0.581 101 N N 2.013 120.572 118.700 -0.234 0.000 2.411 101 N HA 0.134 4.873 4.740 -0.000 0.000 0.259 101 N C -1.449 174.155 175.510 0.157 0.000 1.103 101 N CA -1.122 51.933 53.050 0.007 0.000 0.954 101 N CB 1.182 39.677 38.487 0.014 0.000 1.085 101 N HN 0.110 nan 8.380 nan 0.000 0.485 102 P HA -0.057 nan 4.420 nan 0.000 0.221 102 P C 0.964 178.291 177.300 0.046 0.000 1.150 102 P CA 1.102 64.246 63.100 0.074 0.000 0.800 102 P CB 0.309 32.015 31.700 0.009 0.000 0.787 103 T N -0.235 114.333 114.554 0.024 0.000 2.701 103 T HA -0.089 4.260 4.350 -0.000 0.000 0.263 103 T C 1.839 176.513 174.700 -0.043 0.000 1.040 103 T CA 2.174 64.267 62.100 -0.011 0.000 1.147 103 T CB -1.223 67.633 68.868 -0.020 0.000 0.865 103 T HN 0.187 nan 8.240 nan 0.000 0.426 104 T N 2.268 116.799 114.554 -0.038 0.000 2.720 104 T HA -0.055 4.295 4.350 -0.000 0.000 0.268 104 T C 2.404 177.024 174.700 -0.133 0.000 1.037 104 T CA 1.127 63.129 62.100 -0.164 0.000 1.144 104 T CB -0.625 68.198 68.868 -0.075 0.000 0.864 104 T HN 0.425 nan 8.240 nan 0.000 0.444 105 A N 1.942 124.824 122.820 0.103 0.000 1.892 105 A HA -0.213 4.106 4.320 -0.000 0.000 0.218 105 A C 2.239 179.824 177.584 0.002 0.000 1.188 105 A CA 1.843 53.869 52.037 -0.020 0.000 0.631 105 A CB -0.621 18.326 19.000 -0.089 0.000 0.822 105 A HN 0.607 nan 8.150 nan 0.000 0.447 106 E N -0.564 119.635 120.200 -0.002 0.000 2.150 106 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 106 E C 2.004 178.630 176.600 0.042 0.000 0.985 106 E CA 1.194 57.616 56.400 0.036 0.000 0.814 106 E CB -0.167 29.535 29.700 0.003 0.000 0.752 106 E HN 0.760 nan 8.360 nan 0.000 0.466 107 E N 0.078 120.234 120.200 -0.074 0.000 2.047 107 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 107 E C 1.739 178.276 176.600 -0.106 0.000 0.987 107 E CA 1.000 57.321 56.400 -0.131 0.000 0.799 107 E CB -0.071 29.472 29.700 -0.262 0.000 0.752 107 E HN 0.272 nan 8.360 nan 0.000 0.449 108 Y N -0.843 119.377 120.300 -0.133 0.000 2.293 108 Y HA -0.186 4.364 4.550 -0.000 0.000 0.291 108 Y C 2.067 177.642 175.900 -0.541 0.000 1.137 108 Y CA 0.569 58.431 58.100 -0.397 0.000 1.202 108 Y CB -0.795 37.392 38.460 -0.455 0.000 0.990 108 Y HN 0.192 nan 8.280 nan 0.000 0.537 109 Y N 1.040 121.274 120.300 -0.111 0.000 2.145 109 Y HA -0.229 4.321 4.550 0.000 0.000 0.286 109 Y C 2.408 178.358 175.900 0.084 0.000 1.145 109 Y CA 1.638 59.776 58.100 0.063 0.000 1.148 109 Y CB -0.315 38.214 38.460 0.116 0.000 0.981 109 Y HN -0.079 nan 8.280 nan 0.000 0.507 110 R N 0.119 120.624 120.500 0.008 0.000 2.081 110 R HA -0.204 4.135 4.340 -0.000 0.000 0.235 110 R C 2.336 178.591 176.300 -0.076 0.000 1.131 110 R CA 1.702 57.768 56.100 -0.056 0.000 0.960 110 R CB -0.435 29.884 30.300 0.031 0.000 0.856 110 R HN 0.527 nan 8.270 nan 0.000 0.436 111 E N 0.311 120.482 120.200 -0.048 0.000 2.051 111 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 111 E C 1.606 178.295 176.600 0.148 0.000 0.991 111 E CA 1.231 57.636 56.400 0.009 0.000 0.799 111 E CB -0.041 29.683 29.700 0.040 0.000 0.748 111 E HN 0.127 nan 8.360 nan 0.000 0.449 112 F N 1.170 121.176 119.950 0.094 0.000 2.091 112 F HA -0.180 4.346 4.527 -0.000 0.000 0.299 112 F C 2.675 178.464 175.800 -0.018 0.000 1.103 112 F CA 1.601 59.648 58.000 0.078 0.000 1.228 112 F CB -0.982 38.006 39.000 -0.019 0.000 0.984 112 F HN 0.080 nan 8.300 nan 0.000 0.477 113 R N 0.167 120.658 120.500 -0.014 0.000 2.057 113 R HA -0.118 4.222 4.340 -0.000 0.000 0.229 113 R C 1.801 178.076 176.300 -0.041 0.000 1.136 113 R CA 1.843 57.878 56.100 -0.109 0.000 0.952 113 R CB -0.262 29.848 30.300 -0.318 0.000 0.848 113 R HN 0.136 nan 8.270 nan 0.000 0.430 114 D N -0.456 119.914 120.400 -0.051 0.000 2.162 114 D HA -0.084 4.556 4.640 -0.000 0.000 0.205 114 D C 1.951 178.209 176.300 -0.070 0.000 0.964 114 D CA 0.820 54.791 54.000 -0.049 0.000 0.847 114 D CB -0.088 40.684 40.800 -0.048 0.000 0.988 114 D HN 0.223 nan 8.370 nan 0.000 0.480 115 R N -0.587 119.851 120.500 -0.103 0.000 2.066 115 R HA -0.065 4.275 4.340 -0.000 0.000 0.224 115 R C 1.546 177.656 176.300 -0.317 0.000 1.122 115 R CA 0.978 56.919 56.100 -0.264 0.000 0.974 115 R CB -0.033 30.016 30.300 -0.417 0.000 0.871 115 R HN 0.150 nan 8.270 nan 0.000 0.435 116 Y N -0.428 119.884 120.300 0.020 0.000 2.478 116 Y HA 0.331 4.881 4.550 -0.000 0.000 0.261 116 Y C 1.103 176.996 175.900 -0.011 0.000 1.127 116 Y CA 0.354 58.460 58.100 0.009 0.000 1.288 116 Y CB 0.628 39.108 38.460 0.033 0.000 1.084 116 Y HN 0.356 nan 8.280 nan 0.000 0.530 117 G N 1.843 110.704 108.800 0.102 0.000 2.395 117 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.300 117 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.300 117 G C 0.272 175.202 174.900 0.049 0.000 0.998 117 G CA 0.285 45.415 45.100 0.050 0.000 1.046 117 G HN 0.423 nan 8.290 nan 0.000 0.513 118 V N -1.281 118.665 119.914 0.054 0.000 2.999 118 V HA 0.487 4.606 4.120 -0.000 0.000 0.307 118 V C 1.649 177.745 176.094 0.002 0.000 1.084 118 V CA 0.615 62.910 62.300 -0.008 0.000 1.155 118 V CB 0.916 32.681 31.823 -0.097 0.000 0.975 118 V HN 0.886 nan 8.190 nan 0.000 0.490 119 I N 0.273 120.843 120.570 0.000 0.000 4.018 119 I HA 0.799 4.969 4.170 -0.000 0.000 0.337 119 I C 0.643 176.795 176.117 0.059 0.000 1.327 119 I CA 0.446 61.767 61.300 0.035 0.000 1.100 119 I CB 0.087 38.111 38.000 0.040 0.000 1.025 119 I HN 0.886 nan 8.210 nan 0.000 0.396 120 A N 1.300 124.130 122.820 0.017 0.000 2.604 120 A HA 0.833 5.153 4.320 -0.000 0.000 0.295 120 A C -1.357 176.180 177.584 -0.078 0.000 1.067 120 A CA -0.419 51.631 52.037 0.023 0.000 0.683 120 A CB 1.426 20.440 19.000 0.023 0.000 1.281 120 A HN 0.208 nan 8.150 nan 0.000 0.407 121 I N 2.143 122.638 120.570 -0.126 0.000 2.533 121 I HA 0.356 4.526 4.170 -0.000 0.000 0.290 121 I C -0.912 175.003 176.117 -0.337 0.000 1.056 121 I CA -0.617 60.495 61.300 -0.313 0.000 1.057 121 I CB 1.961 39.720 38.000 -0.401 0.000 1.240 121 I HN 0.430 nan 8.210 nan 0.000 0.423 122 I N 5.288 125.763 120.570 -0.159 0.000 2.291 122 I HA 0.368 4.538 4.170 -0.000 0.000 0.290 122 I C 0.785 176.936 176.117 0.056 0.000 1.050 122 I CA 0.229 61.525 61.300 -0.006 0.000 1.245 122 I CB 0.290 38.345 38.000 0.092 0.000 1.405 122 I HN 0.667 nan 8.210 nan 0.000 0.478 123 G N 5.666 114.492 108.800 0.043 0.000 2.795 123 G HA2 0.457 4.417 3.960 -0.000 0.000 0.267 123 G HA3 0.457 4.417 3.960 -0.000 0.000 0.267 123 G C -0.266 174.864 174.900 0.383 0.000 1.362 123 G CA -0.328 44.886 45.100 0.191 0.000 1.048 123 G HN 0.657 nan 8.290 nan 0.000 0.547 124 W N -1.019 120.341 121.300 0.100 0.000 4.487 124 W HA 0.367 5.027 4.660 -0.000 0.000 0.172 124 W C 0.873 177.378 176.519 -0.023 0.000 3.458 124 W CA 0.428 57.751 57.345 -0.036 0.000 1.177 124 W CB 0.166 29.697 29.460 0.119 0.000 2.106 124 W HN 0.782 nan 8.180 nan 0.000 0.360 125 G N 1.688 110.505 108.800 0.029 0.000 2.483 125 G HA2 0.286 4.246 3.960 -0.000 0.000 0.248 125 G HA3 0.286 4.246 3.960 -0.000 0.000 0.248 125 G C 0.564 175.376 174.900 -0.147 0.000 1.248 125 G CA 0.248 45.238 45.100 -0.183 0.000 0.838 125 G HN 0.253 nan 8.290 nan 0.000 0.566 126 T N 2.187 116.674 114.554 -0.111 0.000 2.652 126 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 126 T C 2.858 177.551 174.700 -0.013 0.000 1.039 126 T CA 2.039 64.142 62.100 0.005 0.000 1.153 126 T CB -0.332 68.644 68.868 0.180 0.000 0.863 126 T HN 0.675 nan 8.240 nan 0.000 0.428 127 A N 2.864 125.663 122.820 -0.035 0.000 1.851 127 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 127 A C 2.156 179.698 177.584 -0.071 0.000 1.195 127 A CA 2.173 54.182 52.037 -0.047 0.000 0.622 127 A CB -0.868 18.089 19.000 -0.071 0.000 0.831 127 A HN 0.753 nan 8.150 nan 0.000 0.444 128 D N -1.141 119.207 120.400 -0.087 0.000 2.117 128 D HA -0.129 4.511 4.640 -0.000 0.000 0.198 128 D C 1.706 177.921 176.300 -0.142 0.000 0.982 128 D CA 1.823 55.770 54.000 -0.088 0.000 0.828 128 D CB -1.078 39.687 40.800 -0.058 0.000 0.967 128 D HN 0.370 nan 8.370 nan 0.000 0.464 129 T N 1.155 115.634 114.554 -0.125 0.000 2.746 129 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 129 T C 1.872 176.433 174.700 -0.231 0.000 1.039 129 T CA 1.414 63.380 62.100 -0.223 0.000 1.142 129 T CB -0.195 68.628 68.868 -0.074 0.000 0.866 129 T HN 0.318 nan 8.240 nan 0.000 0.444 130 E N 0.666 120.792 120.200 -0.123 0.000 2.051 130 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 130 E C 2.291 178.822 176.600 -0.114 0.000 0.991 130 E CA 1.088 57.434 56.400 -0.090 0.000 0.799 130 E CB -0.105 29.575 29.700 -0.033 0.000 0.748 130 E HN 0.244 nan 8.360 nan 0.000 0.449 131 K N 1.131 121.461 120.400 -0.117 0.000 2.063 131 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 131 K C 1.763 178.257 176.600 -0.177 0.000 1.048 131 K CA 1.187 57.403 56.287 -0.118 0.000 0.928 131 K CB -0.153 32.287 32.500 -0.100 0.000 0.713 131 K HN 0.073 nan 8.250 nan 0.000 0.442 132 L N 0.713 121.774 121.223 -0.271 0.000 2.509 132 L HA 0.012 4.352 4.340 -0.000 0.000 0.222 132 L C 2.061 178.714 176.870 -0.362 0.000 1.123 132 L CA 0.618 55.215 54.840 -0.404 0.000 0.856 132 L CB -0.321 41.373 42.059 -0.608 0.000 0.985 132 L HN 0.269 nan 8.230 nan 0.000 0.456 133 S N -0.675 114.861 115.700 -0.273 0.000 2.374 133 S HA -0.231 4.238 4.470 -0.000 0.000 0.227 133 S C 1.528 176.064 174.600 -0.107 0.000 1.037 133 S CA 1.507 59.592 58.200 -0.191 0.000 1.024 133 S CB -0.327 62.797 63.200 -0.127 0.000 0.861 133 S HN 0.380 nan 8.310 nan 0.000 0.456 134 D N 1.004 121.348 120.400 -0.095 0.000 2.149 134 D HA -0.018 4.622 4.640 -0.000 0.000 0.201 134 D C 2.165 178.433 176.300 -0.053 0.000 0.972 134 D CA 1.122 55.092 54.000 -0.050 0.000 0.835 134 D CB -0.464 40.312 40.800 -0.040 0.000 0.966 134 D HN 0.443 nan 8.370 nan 0.000 0.476 135 Q N 0.799 120.540 119.800 -0.099 0.000 2.079 135 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 135 Q C 2.176 178.156 176.000 -0.034 0.000 0.974 135 Q CA 1.216 56.974 55.803 -0.075 0.000 0.840 135 Q CB -0.276 28.375 28.738 -0.144 0.000 0.898 135 Q HN 0.284 nan 8.270 nan 0.000 0.430 136 V N -1.158 118.705 119.914 -0.086 0.000 2.626 136 V HA -0.157 3.963 4.120 -0.000 0.000 0.252 136 V C 1.848 177.846 176.094 -0.159 0.000 1.067 136 V CA 2.223 64.528 62.300 0.007 0.000 1.081 136 V CB -0.770 31.104 31.823 0.085 0.000 0.686 136 V HN 0.327 nan 8.190 nan 0.000 0.468 137 D N 1.156 121.508 120.400 -0.079 0.000 2.084 137 D HA -0.142 4.498 4.640 -0.000 0.000 0.196 137 D C 2.118 178.324 176.300 -0.156 0.000 0.985 137 D CA 2.225 56.190 54.000 -0.058 0.000 0.826 137 D CB -0.416 40.471 40.800 0.145 0.000 0.978 137 D HN 0.465 nan 8.370 nan 0.000 0.456 138 T N 0.213 114.730 114.554 -0.062 0.000 2.665 138 T HA -0.157 4.192 4.350 -0.000 0.000 0.268 138 T C 1.077 175.734 174.700 -0.073 0.000 1.035 138 T CA 1.696 63.774 62.100 -0.037 0.000 1.151 138 T CB -0.394 68.474 68.868 -0.001 0.000 0.862 138 T HN 0.217 nan 8.240 nan 0.000 0.438 139 D N 0.723 121.077 120.400 -0.077 0.000 2.355 139 D HA 0.053 4.692 4.640 -0.000 0.000 0.218 139 D C 0.560 176.750 176.300 -0.184 0.000 1.004 139 D CA 0.288 54.254 54.000 -0.057 0.000 0.880 139 D CB -0.066 40.780 40.800 0.077 0.000 0.911 139 D HN 0.436 nan 8.370 nan 0.000 0.528 140 K N 0.248 120.351 120.400 -0.495 0.000 3.162 140 K HA -0.182 4.138 4.320 -0.000 0.000 0.268 140 K C -0.447 175.848 176.600 -0.509 0.000 1.062 140 K CA 0.329 56.074 56.287 -0.903 0.000 0.769 140 K CB -1.764 30.561 32.500 -0.291 0.000 1.274 140 K HN 0.301 nan 8.250 nan 0.000 0.478 141 I N 1.255 121.607 120.570 -0.363 0.000 2.355 141 I HA 0.074 4.244 4.170 -0.000 0.000 0.288 141 I C 0.770 177.080 176.117 0.322 0.000 0.999 141 I CA -0.591 60.751 61.300 0.069 0.000 1.163 141 I CB 1.742 39.857 38.000 0.193 0.000 1.316 141 I HN -0.026 nan 8.210 nan 0.000 0.454 142 T N 5.763 120.574 114.554 0.429 0.000 2.853 142 T HA 0.057 4.407 4.350 -0.000 0.000 0.298 142 T C -0.732 174.199 174.700 0.385 0.000 0.978 142 T CA 0.673 63.069 62.100 0.493 0.000 1.152 142 T CB -0.142 68.891 68.868 0.276 0.000 0.914 142 T HN 0.267 nan 8.240 nan 0.000 0.539 143 Y N 4.130 124.634 120.300 0.340 0.000 2.338 143 Y HA 0.513 5.063 4.550 -0.000 0.000 0.328 143 Y C -0.518 175.547 175.900 0.277 0.000 0.965 143 Y CA -0.964 57.296 58.100 0.267 0.000 1.208 143 Y CB 0.680 39.280 38.460 0.234 0.000 1.132 143 Y HN 0.537 nan 8.280 nan 0.000 0.469 144 I N 5.773 126.476 120.570 0.222 0.000 2.355 144 I HA 0.358 4.527 4.170 -0.000 0.000 0.288 144 I C -0.503 175.802 176.117 0.313 0.000 0.999 144 I CA -0.467 61.008 61.300 0.292 0.000 1.163 144 I CB 1.269 39.377 38.000 0.181 0.000 1.316 144 I HN 0.527 nan 8.210 nan 0.000 0.454 145 S N 4.029 119.989 115.700 0.433 0.000 2.532 145 S HA 0.652 5.122 4.470 -0.000 0.000 0.301 145 S C 0.791 175.533 174.600 0.237 0.000 1.083 145 S CA -0.471 57.936 58.200 0.344 0.000 1.025 145 S CB 2.106 65.502 63.200 0.327 0.000 1.056 145 S HN 0.667 nan 8.310 nan 0.000 0.494 146 A N 1.777 124.612 122.820 0.026 0.000 1.969 146 A HA 0.131 4.450 4.320 -0.000 0.000 0.218 146 A C 1.468 178.578 177.584 -0.789 0.000 1.169 146 A CA 1.143 52.992 52.037 -0.314 0.000 0.635 146 A CB -0.925 17.529 19.000 -0.910 0.000 0.810 146 A HN 0.999 nan 8.150 nan 0.000 0.445 147 S N -0.553 114.773 115.700 -0.623 0.000 2.525 147 S HA 0.212 4.682 4.470 -0.000 0.000 0.285 147 S C -0.200 173.876 174.600 -0.872 0.000 1.283 147 S CA -0.258 57.592 58.200 -0.582 0.000 1.072 147 S CB -0.163 62.878 63.200 -0.266 0.000 0.867 147 S HN 0.365 nan 8.310 nan 0.000 0.492 148 Y N 3.110 122.740 120.300 -1.116 0.000 2.756 148 Y HA 0.341 4.891 4.550 -0.000 0.000 0.300 148 Y C 1.180 176.315 175.900 -1.275 0.000 1.113 148 Y CA -0.793 56.234 58.100 -1.789 0.000 1.291 148 Y CB -0.590 37.066 38.460 -1.340 0.000 1.175 148 Y HN 0.609 nan 8.280 nan 0.000 0.534 149 S N 0.806 116.201 115.700 -0.509 0.000 2.546 149 S HA 0.269 4.739 4.470 -0.000 0.000 0.290 149 S C 1.586 176.251 174.600 0.108 0.000 1.290 149 S CA 0.287 58.496 58.200 0.016 0.000 1.069 149 S CB 0.806 64.076 63.200 0.116 0.000 0.846 149 S HN 0.594 nan 8.310 nan 0.000 0.495 150 A N 5.580 128.486 122.820 0.145 0.000 2.019 150 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 150 A C 2.035 179.671 177.584 0.087 0.000 1.164 150 A CA 1.327 53.436 52.037 0.120 0.000 0.644 150 A CB -0.409 18.654 19.000 0.105 0.000 0.805 150 A HN 0.947 nan 8.150 nan 0.000 0.449 151 K N -0.324 120.130 120.400 0.091 0.000 2.360 151 K HA -0.012 4.308 4.320 -0.000 0.000 0.201 151 K C 1.401 178.022 176.600 0.035 0.000 1.046 151 K CA 0.933 57.256 56.287 0.060 0.000 0.945 151 K CB -0.299 32.235 32.500 0.057 0.000 0.750 151 K HN 0.506 nan 8.250 nan 0.000 0.464 152 L N 0.552 121.814 121.223 0.066 0.000 2.341 152 L HA -0.060 4.280 4.340 -0.000 0.000 0.214 152 L C 1.976 178.804 176.870 -0.070 0.000 1.115 152 L CA 0.376 55.242 54.840 0.044 0.000 0.820 152 L CB -0.298 41.877 42.059 0.193 0.000 0.944 152 L HN 0.137 nan 8.230 nan 0.000 0.452 153 L N -0.080 121.079 121.223 -0.107 0.000 2.127 153 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 153 L C 2.189 178.852 176.870 -0.345 0.000 1.089 153 L CA 1.089 55.745 54.840 -0.305 0.000 0.757 153 L CB -0.567 41.219 42.059 -0.455 0.000 0.899 153 L HN 0.287 nan 8.230 nan 0.000 0.434 154 V N -4.843 114.961 119.914 -0.182 0.000 3.647 154 V HA 0.145 4.264 4.120 -0.000 0.000 0.279 154 V C 0.713 176.697 176.094 -0.184 0.000 1.314 154 V CA -0.075 62.137 62.300 -0.147 0.000 1.125 154 V CB -0.485 31.326 31.823 -0.019 0.000 0.907 154 V HN 0.086 nan 8.190 nan 0.000 0.434 155 K N 1.910 122.187 120.400 -0.205 0.000 2.248 155 K HA 0.397 4.717 4.320 -0.000 0.000 0.281 155 K C -2.035 174.457 176.600 -0.179 0.000 1.054 155 K CA -2.242 53.968 56.287 -0.128 0.000 0.903 155 K CB 1.597 34.056 32.500 -0.068 0.000 1.077 155 K HN 0.093 nan 8.250 nan 0.000 0.474 156 P HA -0.068 nan 4.420 nan 0.000 0.219 156 P C 0.416 177.676 177.300 -0.067 0.000 1.146 156 P CA 1.123 64.181 63.100 -0.071 0.000 0.808 156 P CB 0.118 31.852 31.700 0.056 0.000 0.779 157 F N -2.071 117.901 119.950 0.035 0.000 2.678 157 F HA 0.173 4.700 4.527 -0.000 0.000 0.305 157 F C 0.840 176.707 175.800 0.112 0.000 1.090 157 F CA -0.245 57.845 58.000 0.150 0.000 1.272 157 F CB 0.034 39.146 39.000 0.187 0.000 1.060 157 F HN -0.217 nan 8.300 nan 0.000 0.576 158 N N 0.762 119.455 118.700 -0.012 0.000 2.426 158 N HA 0.384 5.124 4.740 -0.000 0.000 0.275 158 N C -1.200 174.064 175.510 -0.410 0.000 1.019 158 N CA 0.077 53.126 53.050 -0.001 0.000 0.941 158 N CB 1.390 39.899 38.487 0.038 0.000 1.123 158 N HN -0.052 nan 8.380 nan 0.000 0.486 159 F N 1.507 121.446 119.950 -0.018 0.000 2.599 159 F HA 0.458 4.985 4.527 -0.000 0.000 0.311 159 F C -0.682 175.126 175.800 0.013 0.000 1.076 159 F CA -0.955 56.850 58.000 -0.325 0.000 0.937 159 F CB 1.453 40.112 39.000 -0.569 0.000 1.282 159 F HN 0.339 nan 8.300 nan 0.000 0.460 160 Y N -0.692 119.794 120.300 0.309 0.000 2.521 160 Y HA 0.513 5.063 4.550 -0.000 0.000 0.332 160 Y C -3.003 173.131 175.900 0.390 0.000 1.121 160 Y CA -2.963 55.367 58.100 0.383 0.000 1.037 160 Y CB 1.148 39.892 38.460 0.475 0.000 1.330 160 Y HN 0.249 nan 8.280 nan 0.000 0.452 161 P HA 0.429 nan 4.420 nan 0.000 0.226 161 P C -0.557 176.936 177.300 0.322 0.000 1.758 161 P CA 0.595 63.956 63.100 0.435 0.000 0.896 161 P CB -0.151 31.811 31.700 0.437 0.000 1.784 162 A N 0.519 123.340 122.820 0.002 0.000 2.610 162 A HA 0.740 5.060 4.320 -0.000 0.000 0.291 162 A C -3.165 174.064 177.584 -0.592 0.000 1.086 162 A CA -1.890 49.801 52.037 -0.577 0.000 0.677 162 A CB 0.778 19.265 19.000 -0.856 0.000 1.278 162 A HN -0.117 nan 8.150 nan 0.000 0.414 163 P HA 0.180 nan 4.420 nan 0.000 0.270 163 P C -0.687 176.556 177.300 -0.095 0.000 1.223 163 P CA -0.139 62.722 63.100 -0.399 0.000 0.785 163 P CB 0.335 31.822 31.700 -0.354 0.000 0.923 164 D N 1.159 121.595 120.400 0.059 0.000 2.362 164 D HA -0.093 4.546 4.640 -0.000 0.000 0.238 164 D C 0.795 177.140 176.300 0.074 0.000 1.212 164 D CA -0.000 54.064 54.000 0.107 0.000 0.902 164 D CB 0.378 41.254 40.800 0.127 0.000 1.180 164 D HN 0.440 nan 8.370 nan 0.000 0.445 165 Y N 0.179 120.562 120.300 0.139 0.000 2.241 165 Y HA -0.256 4.294 4.550 -0.000 0.000 0.286 165 Y C 2.965 178.920 175.900 0.091 0.000 1.166 165 Y CA 1.284 59.486 58.100 0.170 0.000 1.203 165 Y CB 0.084 38.672 38.460 0.214 0.000 0.977 165 Y HN 0.341 nan 8.280 nan 0.000 0.529 166 S N -0.827 114.995 115.700 0.203 0.000 2.357 166 S HA -0.152 4.318 4.470 -0.000 0.000 0.221 166 S C 1.997 176.604 174.600 0.011 0.000 1.031 166 S CA 1.584 59.825 58.200 0.069 0.000 0.982 166 S CB -0.599 62.639 63.200 0.064 0.000 0.853 166 S HN 0.417 nan 8.310 nan 0.000 0.458 167 T N 2.901 117.463 114.554 0.013 0.000 2.720 167 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 167 T C 1.928 176.622 174.700 -0.011 0.000 1.037 167 T CA 1.323 63.411 62.100 -0.020 0.000 1.144 167 T CB -0.369 68.477 68.868 -0.038 0.000 0.864 167 T HN 0.423 nan 8.240 nan 0.000 0.444 168 Q N 0.558 120.374 119.800 0.027 0.000 2.030 168 Q HA -0.093 4.247 4.340 -0.000 0.000 0.204 168 Q C 2.819 178.860 176.000 0.069 0.000 0.986 168 Q CA 1.560 57.401 55.803 0.063 0.000 0.843 168 Q CB -0.386 28.443 28.738 0.151 0.000 0.904 168 Q HN 0.580 nan 8.270 nan 0.000 0.420 169 A N 0.362 123.196 122.820 0.024 0.000 1.883 169 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 169 A C 2.351 179.803 177.584 -0.219 0.000 1.186 169 A CA 1.549 53.446 52.037 -0.234 0.000 0.624 169 A CB -0.984 17.650 19.000 -0.609 0.000 0.822 169 A HN 0.524 nan 8.150 nan 0.000 0.444 170 C N -0.751 118.463 119.300 -0.144 0.000 2.435 170 C HA -0.004 4.456 4.460 -0.000 0.000 0.279 170 C C 3.236 178.195 174.990 -0.052 0.000 1.321 170 C CA 1.046 60.002 59.018 -0.102 0.000 1.752 170 C CB -1.235 26.466 27.740 -0.064 0.000 1.959 170 C HN 0.617 nan 8.230 nan 0.000 0.500 171 S N 0.901 116.589 115.700 -0.021 0.000 2.368 171 S HA -0.075 4.395 4.470 -0.000 0.000 0.225 171 S C 2.115 176.736 174.600 0.034 0.000 1.030 171 S CA 1.630 59.842 58.200 0.020 0.000 0.999 171 S CB -0.659 62.559 63.200 0.030 0.000 0.844 171 S HN 0.757 nan 8.310 nan 0.000 0.459 172 G N 1.310 110.128 108.800 0.030 0.000 2.408 172 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.217 172 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.217 172 G C 1.327 176.247 174.900 0.033 0.000 1.150 172 G CA 0.473 45.599 45.100 0.043 0.000 0.776 172 G HN 0.427 nan 8.290 nan 0.000 0.542 173 L N 0.519 121.725 121.223 -0.028 0.000 2.109 173 L HA 0.080 4.420 4.340 -0.000 0.000 0.207 173 L C 3.347 180.134 176.870 -0.138 0.000 1.086 173 L CA 0.753 55.538 54.840 -0.091 0.000 0.760 173 L CB -0.289 41.700 42.059 -0.117 0.000 0.910 173 L HN 0.279 nan 8.230 nan 0.000 0.437 174 A N 0.222 122.988 122.820 -0.090 0.000 1.902 174 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 174 A C 2.181 179.666 177.584 -0.165 0.000 1.181 174 A CA 1.592 53.572 52.037 -0.094 0.000 0.623 174 A CB -0.850 18.133 19.000 -0.028 0.000 0.818 174 A HN 0.432 nan 8.150 nan 0.000 0.443 175 F N 0.336 120.091 119.950 -0.325 0.000 2.065 175 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 175 F C 1.775 177.234 175.800 -0.567 0.000 1.112 175 F CA 1.914 59.550 58.000 -0.606 0.000 1.212 175 F CB -0.429 38.037 39.000 -0.892 0.000 0.975 175 F HN 0.155 nan 8.300 nan 0.000 0.476 176 L N 0.828 121.676 121.223 -0.626 0.000 2.012 176 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 176 L C 2.763 179.265 176.870 -0.615 0.000 1.073 176 L CA 2.063 56.480 54.840 -0.705 0.000 0.748 176 L CB -1.729 39.955 42.059 -0.624 0.000 0.891 176 L HN 0.314 nan 8.230 nan 0.000 0.431 177 A N -2.056 120.489 122.820 -0.458 0.000 1.930 177 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 177 A C 2.459 179.904 177.584 -0.233 0.000 1.175 177 A CA 1.966 53.846 52.037 -0.261 0.000 0.627 177 A CB -0.626 18.278 19.000 -0.160 0.000 0.815 177 A HN 0.445 nan 8.150 nan 0.000 0.443 178 S N -0.900 114.604 115.700 -0.327 0.000 2.395 178 S HA -0.062 4.408 4.470 -0.000 0.000 0.225 178 S C 1.938 176.292 174.600 -0.410 0.000 1.027 178 S CA 1.316 59.343 58.200 -0.289 0.000 0.965 178 S CB -0.095 62.967 63.200 -0.229 0.000 0.812 178 S HN 0.685 nan 8.310 nan 0.000 0.482 179 E N 0.490 120.244 120.200 -0.743 0.000 2.122 179 E HA 0.061 4.411 4.350 -0.000 0.000 0.190 179 E C 0.757 176.795 176.600 -0.936 0.000 0.977 179 E CA 1.064 56.838 56.400 -1.043 0.000 0.820 179 E CB -0.026 28.561 29.700 -1.854 0.000 0.770 179 E HN 0.511 nan 8.360 nan 0.000 0.462 180 F N -1.005 118.782 119.950 -0.271 0.000 2.728 180 F HA 0.499 5.026 4.527 -0.000 0.000 0.314 180 F C 0.823 176.692 175.800 0.115 0.000 1.094 180 F CA 0.403 58.402 58.000 -0.003 0.000 1.217 180 F CB 1.247 40.354 39.000 0.179 0.000 1.056 180 F HN 0.132 nan 8.300 nan 0.000 0.577 181 G N 0.778 109.672 108.800 0.156 0.000 2.612 181 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.686 181 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.686 181 G C -0.839 174.185 174.900 0.207 0.000 1.274 181 G CA -1.205 43.981 45.100 0.143 0.000 0.849 181 G HN 0.083 nan 8.290 nan 0.000 0.595 182 Q N -0.315 119.568 119.800 0.138 0.000 2.421 182 Q HA 0.511 4.851 4.340 -0.000 0.000 0.255 182 Q C 0.820 176.945 176.000 0.207 0.000 1.013 182 Q CA 0.874 56.768 55.803 0.151 0.000 0.895 182 Q CB 1.090 29.877 28.738 0.081 0.000 1.271 182 Q HN 1.744 nan 8.270 nan 0.000 0.460 183 G N 0.626 109.564 108.800 0.231 0.000 2.321 183 G HA2 0.194 4.153 3.960 -0.000 0.000 0.296 183 G HA3 0.194 4.153 3.960 -0.000 0.000 0.296 183 G C -1.657 173.329 174.900 0.144 0.000 1.287 183 G CA -0.988 44.197 45.100 0.142 0.000 0.846 183 G HN 0.374 nan 8.290 nan 0.000 0.508 184 K N -0.335 120.086 120.400 0.035 0.000 2.172 184 K HA 0.615 4.934 4.320 -0.000 0.000 0.276 184 K C -1.148 175.531 176.600 0.131 0.000 1.013 184 K CA -0.549 55.778 56.287 0.066 0.000 0.913 184 K CB 2.046 34.555 32.500 0.015 0.000 1.055 184 K HN 0.331 nan 8.250 nan 0.000 0.461 185 L N 2.080 123.412 121.223 0.181 0.000 2.381 185 L HA 0.536 4.876 4.340 -0.000 0.000 0.274 185 L C -1.272 175.735 176.870 0.229 0.000 0.988 185 L CA -0.271 54.715 54.840 0.242 0.000 0.824 185 L CB 1.635 43.841 42.059 0.245 0.000 1.263 185 L HN 0.748 nan 8.230 nan 0.000 0.410 186 A N 5.768 128.739 122.820 0.252 0.000 2.312 186 A HA 0.803 5.123 4.320 -0.000 0.000 0.326 186 A C -1.137 176.678 177.584 0.385 0.000 1.172 186 A CA -0.554 51.679 52.037 0.328 0.000 0.821 186 A CB 0.712 19.825 19.000 0.189 0.000 1.166 186 A HN 0.723 nan 8.150 nan 0.000 0.493 187 L N 2.028 123.539 121.223 0.479 0.000 2.294 187 L HA 0.617 4.957 4.340 -0.000 0.000 0.283 187 L C 0.272 177.493 176.870 0.586 0.000 1.015 187 L CA -0.393 54.775 54.840 0.547 0.000 0.831 187 L CB 1.623 43.976 42.059 0.491 0.000 1.217 187 L HN 0.750 nan 8.230 nan 0.000 0.420 188 A N 4.619 127.716 122.820 0.461 0.000 2.271 188 A HA 0.807 5.127 4.320 -0.000 0.000 0.317 188 A C -1.086 176.672 177.584 0.290 0.000 1.245 188 A CA -0.329 51.880 52.037 0.287 0.000 0.857 188 A CB 0.453 19.538 19.000 0.141 0.000 1.175 188 A HN 0.712 nan 8.150 nan 0.000 0.512 189 Y N -0.453 119.892 120.300 0.075 0.000 2.677 189 Y HA 0.554 5.104 4.550 -0.000 0.000 0.334 189 Y C -1.140 174.767 175.900 0.012 0.000 1.196 189 Y CA -1.493 56.613 58.100 0.010 0.000 1.059 189 Y CB 0.916 39.397 38.460 0.035 0.000 1.315 189 Y HN 0.421 nan 8.280 nan 0.000 0.455 190 D N 1.672 122.104 120.400 0.054 0.000 2.352 190 D HA 0.125 4.765 4.640 -0.000 0.000 0.245 190 D C 1.044 177.396 176.300 0.087 0.000 1.224 190 D CA 0.669 54.672 54.000 0.005 0.000 0.879 190 D CB 1.419 42.246 40.800 0.045 0.000 1.057 190 D HN 0.732 nan 8.370 nan 0.000 0.491 191 S N 3.328 119.003 115.700 -0.041 0.000 2.500 191 S HA -0.137 4.333 4.470 -0.000 0.000 0.239 191 S C 1.260 175.922 174.600 0.103 0.000 0.989 191 S CA 0.765 59.010 58.200 0.076 0.000 0.951 191 S CB 0.019 63.201 63.200 -0.030 0.000 0.759 191 S HN 0.470 nan 8.310 nan 0.000 0.523 192 K N 0.353 120.799 120.400 0.076 0.000 2.361 192 K HA 0.284 4.604 4.320 -0.000 0.000 0.194 192 K C -0.536 176.123 176.600 0.099 0.000 1.032 192 K CA 0.040 56.372 56.287 0.075 0.000 1.048 192 K CB 0.713 33.246 32.500 0.055 0.000 0.842 192 K HN 0.221 nan 8.250 nan 0.000 0.526 193 V N 1.364 121.353 119.914 0.125 0.000 2.370 193 V HA 0.197 4.317 4.120 -0.000 0.000 0.283 193 V C 0.988 177.172 176.094 0.150 0.000 1.023 193 V CA -0.389 62.009 62.300 0.162 0.000 0.857 193 V CB 1.250 33.198 31.823 0.208 0.000 0.985 193 V HN 0.174 nan 8.190 nan 0.000 0.443 194 A N 4.444 127.351 122.820 0.146 0.000 1.917 194 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 194 A C 1.895 179.573 177.584 0.156 0.000 1.182 194 A CA 2.339 54.451 52.037 0.125 0.000 0.633 194 A CB -0.702 18.356 19.000 0.097 0.000 0.819 194 A HN 1.062 nan 8.150 nan 0.000 0.448 195 Y N 1.479 121.830 120.300 0.086 0.000 2.097 195 Y HA -0.203 4.347 4.550 -0.000 0.000 0.282 195 Y C 2.518 178.407 175.900 -0.018 0.000 1.152 195 Y CA 1.806 59.929 58.100 0.038 0.000 1.136 195 Y CB -0.845 37.646 38.460 0.052 0.000 0.975 195 Y HN 0.259 nan 8.280 nan 0.000 0.498 196 S N 0.605 116.063 115.700 -0.404 0.000 2.399 196 S HA -0.125 4.345 4.470 -0.000 0.000 0.231 196 S C 1.898 176.408 174.600 -0.151 0.000 1.022 196 S CA 1.362 59.310 58.200 -0.420 0.000 0.983 196 S CB -0.269 62.871 63.200 -0.099 0.000 0.803 196 S HN 0.492 nan 8.310 nan 0.000 0.480 197 R N 0.589 121.057 120.500 -0.052 0.000 2.200 197 R HA 0.140 4.479 4.340 -0.000 0.000 0.208 197 R C 2.528 178.759 176.300 -0.115 0.000 1.033 197 R CA 0.607 56.653 56.100 -0.091 0.000 1.000 197 R CB -0.316 30.008 30.300 0.039 0.000 0.906 197 R HN 0.305 nan 8.270 nan 0.000 0.462 198 S N 1.492 117.163 115.700 -0.048 0.000 2.359 198 S HA -0.074 4.396 4.470 -0.000 0.000 0.223 198 S C -0.791 173.835 174.600 0.043 0.000 1.039 198 S CA 1.372 59.604 58.200 0.053 0.000 1.042 198 S CB -0.485 62.833 63.200 0.197 0.000 0.915 198 S HN 0.207 nan 8.310 nan 0.000 0.439 199 P HA 0.195 nan 4.420 nan 0.000 0.261 199 P C 1.275 178.497 177.300 -0.130 0.000 1.268 199 P CA 0.076 63.166 63.100 -0.017 0.000 0.833 199 P CB -0.107 31.587 31.700 -0.010 0.000 1.231 200 I N 1.013 121.467 120.570 -0.192 0.000 2.163 200 I HA -0.158 4.012 4.170 -0.000 0.000 0.243 200 I C 2.578 178.598 176.117 -0.161 0.000 1.085 200 I CA 2.016 63.150 61.300 -0.277 0.000 1.347 200 I CB -2.074 35.605 38.000 -0.535 0.000 1.044 200 I HN 0.037 nan 8.210 nan 0.000 0.408 201 G N 0.589 109.331 108.800 -0.097 0.000 2.440 201 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 201 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 201 G C 1.842 176.723 174.900 -0.031 0.000 1.154 201 G CA 1.149 46.219 45.100 -0.049 0.000 0.767 201 G HN 0.514 nan 8.290 nan 0.000 0.552 202 A N 0.489 123.318 122.820 0.015 0.000 1.930 202 A HA 0.126 4.445 4.320 -0.000 0.000 0.217 202 A C 2.397 180.005 177.584 0.040 0.000 1.175 202 A CA 1.121 53.228 52.037 0.117 0.000 0.627 202 A CB -0.295 18.798 19.000 0.156 0.000 0.815 202 A HN 0.383 nan 8.150 nan 0.000 0.443 203 I N -0.405 120.113 120.570 -0.087 0.000 2.163 203 I HA -0.301 3.868 4.170 -0.000 0.000 0.243 203 I C 2.467 178.530 176.117 -0.091 0.000 1.085 203 I CA 1.718 62.927 61.300 -0.152 0.000 1.347 203 I CB -0.253 37.558 38.000 -0.315 0.000 1.044 203 I HN 0.282 nan 8.210 nan 0.000 0.408 204 K N 0.559 120.910 120.400 -0.081 0.000 2.097 204 K HA -0.232 4.088 4.320 -0.000 0.000 0.206 204 K C 2.180 178.736 176.600 -0.073 0.000 1.049 204 K CA 1.366 57.618 56.287 -0.058 0.000 0.933 204 K CB -0.131 32.340 32.500 -0.049 0.000 0.717 204 K HN 0.192 nan 8.250 nan 0.000 0.442 205 K N 0.607 120.941 120.400 -0.110 0.000 2.062 205 K HA -0.065 4.255 4.320 -0.000 0.000 0.205 205 K C 2.003 178.519 176.600 -0.140 0.000 1.051 205 K CA 1.157 57.318 56.287 -0.210 0.000 0.941 205 K CB -0.013 32.205 32.500 -0.471 0.000 0.719 205 K HN 0.117 nan 8.250 nan 0.000 0.440 206 A N 0.706 123.519 122.820 -0.012 0.000 2.016 206 A HA 0.082 4.402 4.320 -0.000 0.000 0.217 206 A C 2.208 179.802 177.584 0.016 0.000 1.162 206 A CA 1.241 53.326 52.037 0.079 0.000 0.662 206 A CB -0.521 18.568 19.000 0.148 0.000 0.812 206 A HN 0.432 nan 8.150 nan 0.000 0.450 207 A N 0.945 123.757 122.820 -0.013 0.000 1.892 207 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 207 A C 0.249 177.834 177.584 0.002 0.000 1.188 207 A CA 2.074 54.105 52.037 -0.010 0.000 0.631 207 A CB -1.756 17.239 19.000 -0.008 0.000 0.822 207 A HN 0.445 nan 8.150 nan 0.000 0.447 208 P HA -0.172 nan 4.420 nan 0.000 0.215 208 P C 1.864 179.168 177.300 0.006 0.000 1.157 208 P CA 2.156 65.257 63.100 0.003 0.000 0.874 208 P CB -0.262 31.433 31.700 -0.008 0.000 0.790 209 S N -1.312 114.391 115.700 0.007 0.000 2.507 209 S HA -0.041 4.429 4.470 -0.000 0.000 0.235 209 S C 1.612 176.216 174.600 0.008 0.000 0.988 209 S CA 0.801 59.008 58.200 0.012 0.000 0.944 209 S CB -1.354 61.861 63.200 0.025 0.000 0.762 209 S HN 0.093 nan 8.310 nan 0.000 0.526 210 L N 0.663 121.888 121.223 0.003 0.000 2.607 210 L HA 0.366 4.706 4.340 -0.000 0.000 0.228 210 L C 1.686 178.553 176.870 -0.005 0.000 1.123 210 L CA 0.277 55.111 54.840 -0.010 0.000 0.890 210 L CB -0.468 41.578 42.059 -0.023 0.000 1.103 210 L HN 0.544 nan 8.230 nan 0.000 0.468 211 G N 1.075 109.882 108.800 0.011 0.000 2.160 211 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.244 211 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.244 211 G C -0.099 174.834 174.900 0.056 0.000 1.022 211 G CA -0.141 44.975 45.100 0.027 0.000 0.741 211 G HN 0.230 nan 8.290 nan 0.000 0.508 212 L N -0.014 121.240 121.223 0.052 0.000 2.333 212 L HA 0.600 4.940 4.340 -0.000 0.000 0.280 212 L C 0.219 177.133 176.870 0.073 0.000 1.004 212 L CA -1.092 53.801 54.840 0.089 0.000 0.820 212 L CB 1.975 44.082 42.059 0.079 0.000 1.247 212 L HN 0.201 nan 8.230 nan 0.000 0.416 213 Q N 3.044 122.897 119.800 0.088 0.000 2.360 213 Q HA 0.328 4.668 4.340 -0.000 0.000 0.254 213 Q C -1.136 174.916 176.000 0.086 0.000 0.975 213 Q CA -0.402 55.443 55.803 0.069 0.000 0.912 213 Q CB 1.535 30.307 28.738 0.057 0.000 1.212 213 Q HN 0.434 nan 8.270 nan 0.000 0.452 214 V N 6.173 126.132 119.914 0.074 0.000 2.446 214 V HA 0.033 4.153 4.120 -0.000 0.000 0.276 214 V C 1.097 177.247 176.094 0.093 0.000 1.030 214 V CA 0.411 62.767 62.300 0.093 0.000 1.033 214 V CB 0.626 32.491 31.823 0.069 0.000 0.993 214 V HN 0.854 nan 8.190 nan 0.000 0.477 215 V N 2.308 122.299 119.914 0.130 0.000 3.590 215 V HA 0.687 4.807 4.120 -0.000 0.000 0.265 215 V C 0.795 176.970 176.094 0.135 0.000 1.239 215 V CA 0.867 63.242 62.300 0.126 0.000 1.117 215 V CB -0.280 31.625 31.823 0.136 0.000 0.818 215 V HN 1.023 nan 8.190 nan 0.000 0.451 216 G N -0.719 108.169 108.800 0.146 0.000 2.340 216 G HA2 0.428 4.387 3.960 -0.000 0.000 0.298 216 G HA3 0.428 4.387 3.960 -0.000 0.000 0.298 216 G C -2.515 172.347 174.900 -0.064 0.000 1.498 216 G CA -0.587 44.490 45.100 -0.039 0.000 0.847 216 G HN 0.107 nan 8.290 nan 0.000 0.594 217 D N -0.308 119.906 120.400 -0.311 0.000 2.185 217 D HA 0.657 5.297 4.640 -0.000 0.000 0.247 217 D C -1.092 174.848 176.300 -0.601 0.000 1.027 217 D CA 0.188 54.095 54.000 -0.154 0.000 0.861 217 D CB 1.443 42.258 40.800 0.026 0.000 1.202 217 D HN 0.315 nan 8.370 nan 0.000 0.453 218 Y N 0.190 120.459 120.300 -0.052 0.000 2.373 218 Y HA 0.213 4.763 4.550 -0.000 0.000 0.336 218 Y C -0.068 175.702 175.900 -0.218 0.000 0.979 218 Y CA -1.058 56.986 58.100 -0.092 0.000 1.080 218 Y CB 1.644 40.092 38.460 -0.019 0.000 1.190 218 Y HN 0.146 nan 8.280 nan 0.000 0.446 219 D N 3.752 124.093 120.400 -0.098 0.000 2.483 219 D HA 0.117 4.757 4.640 -0.000 0.000 0.220 219 D C -1.209 175.043 176.300 -0.079 0.000 1.173 219 D CA -0.116 53.777 54.000 -0.177 0.000 0.964 219 D CB 0.314 41.029 40.800 -0.141 0.000 1.046 219 D HN 0.430 nan 8.370 nan 0.000 0.517 220 L N 5.397 126.574 121.223 -0.076 0.000 2.260 220 L HA 0.456 4.796 4.340 -0.000 0.000 0.289 220 L C -2.468 174.388 176.870 -0.023 0.000 1.057 220 L CA -1.692 53.134 54.840 -0.024 0.000 0.811 220 L CB 1.281 43.339 42.059 -0.001 0.000 1.184 220 L HN 0.084 nan 8.230 nan 0.000 0.429 221 P HA -0.003 nan 4.420 nan 0.000 0.269 221 P C 0.555 177.865 177.300 0.017 0.000 1.209 221 P CA -0.233 62.870 63.100 0.004 0.000 0.776 221 P CB 0.690 32.394 31.700 0.007 0.000 0.876 222 L N 3.514 124.756 121.223 0.032 0.000 2.079 222 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 222 L C 1.347 178.230 176.870 0.022 0.000 1.081 222 L CA 1.918 56.783 54.840 0.041 0.000 0.752 222 L CB -0.377 41.720 42.059 0.064 0.000 0.896 222 L HN 0.269 nan 8.230 nan 0.000 0.433 223 R N 0.026 120.537 120.500 0.018 0.000 2.893 223 R HA 0.403 4.743 4.340 -0.000 0.000 0.317 223 R C 0.356 176.662 176.300 0.009 0.000 1.239 223 R CA 0.184 56.289 56.100 0.010 0.000 1.128 223 R CB -0.130 30.176 30.300 0.010 0.000 1.377 223 R HN 0.311 nan 8.270 nan 0.000 0.583 224 A N 1.485 124.311 122.820 0.011 0.000 2.584 224 A HA 0.039 4.359 4.320 -0.000 0.000 0.239 224 A C 0.905 178.493 177.584 0.007 0.000 1.043 224 A CA 0.213 52.255 52.037 0.008 0.000 0.756 224 A CB 0.032 19.037 19.000 0.009 0.000 0.963 224 A HN 0.437 nan 8.150 nan 0.000 0.511 225 T N -0.188 114.369 114.554 0.005 0.000 2.788 225 T HA 0.277 4.626 4.350 -0.000 0.000 0.280 225 T C 1.026 175.727 174.700 0.003 0.000 0.984 225 T CA 0.271 62.373 62.100 0.003 0.000 0.972 225 T CB 0.883 69.752 68.868 0.002 0.000 1.039 225 T HN 0.741 nan 8.240 nan 0.000 0.530 226 E N 0.358 120.559 120.200 0.001 0.000 2.085 226 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 226 E C 2.285 178.884 176.600 -0.002 0.000 0.994 226 E CA 1.271 57.671 56.400 -0.000 0.000 0.801 226 E CB -0.575 29.124 29.700 -0.002 0.000 0.743 226 E HN 0.789 nan 8.360 nan 0.000 0.453 227 A N 1.273 124.092 122.820 -0.001 0.000 1.902 227 A HA -0.213 4.106 4.320 -0.000 0.000 0.217 227 A C 1.821 179.404 177.584 -0.000 0.000 1.181 227 A CA 1.800 53.836 52.037 -0.001 0.000 0.623 227 A CB -0.485 18.514 19.000 -0.001 0.000 0.818 227 A HN 0.285 nan 8.150 nan 0.000 0.443 228 D N 0.240 120.641 120.400 0.001 0.000 2.104 228 D HA -0.104 4.536 4.640 -0.000 0.000 0.194 228 D C 2.250 178.552 176.300 0.002 0.000 0.994 228 D CA 1.636 55.638 54.000 0.003 0.000 0.830 228 D CB -0.488 40.314 40.800 0.003 0.000 0.959 228 D HN 0.430 nan 8.370 nan 0.000 0.452 229 A N 1.074 123.894 122.820 0.001 0.000 1.902 229 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 229 A C 2.094 179.673 177.584 -0.009 0.000 1.181 229 A CA 1.489 53.524 52.037 -0.002 0.000 0.623 229 A CB -0.504 18.496 19.000 0.001 0.000 0.818 229 A HN 0.207 nan 8.150 nan 0.000 0.443 230 E N -0.914 119.281 120.200 -0.009 0.000 2.106 230 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 230 E C 2.306 178.898 176.600 -0.014 0.000 0.984 230 E CA 0.951 57.343 56.400 -0.014 0.000 0.806 230 E CB -0.171 29.522 29.700 -0.011 0.000 0.750 230 E HN 0.600 nan 8.360 nan 0.000 0.458 231 R N 0.782 121.279 120.500 -0.006 0.000 2.083 231 R HA -0.164 4.176 4.340 -0.000 0.000 0.237 231 R C 2.177 178.478 176.300 0.002 0.000 1.137 231 R CA 1.230 57.330 56.100 0.001 0.000 0.951 231 R CB -0.052 30.253 30.300 0.008 0.000 0.851 231 R HN 0.096 nan 8.270 nan 0.000 0.434 232 I N 1.045 121.615 120.570 -0.000 0.000 2.252 232 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 232 I C 2.541 178.607 176.117 -0.085 0.000 1.102 232 I CA 1.413 62.708 61.300 -0.007 0.000 1.385 232 I CB -1.569 36.437 38.000 0.008 0.000 1.064 232 I HN 0.276 nan 8.210 nan 0.000 0.414 233 A N 0.726 123.503 122.820 -0.071 0.000 1.908 233 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 233 A C 2.490 180.018 177.584 -0.094 0.000 1.181 233 A CA 1.464 53.446 52.037 -0.091 0.000 0.627 233 A CB -0.573 18.394 19.000 -0.055 0.000 0.818 233 A HN 0.328 nan 8.150 nan 0.000 0.445 234 R N 0.009 120.474 120.500 -0.058 0.000 2.092 234 R HA -0.015 4.325 4.340 -0.000 0.000 0.231 234 R C 0.745 177.022 176.300 -0.037 0.000 1.119 234 R CA 0.725 56.800 56.100 -0.042 0.000 0.970 234 R CB -0.171 30.116 30.300 -0.021 0.000 0.864 234 R HN 0.667 nan 8.270 nan 0.000 0.440 238 A N 0.492 123.299 122.820 -0.022 0.000 2.024 238 A HA 0.181 4.501 4.320 -0.000 0.000 0.220 238 A C 1.997 179.592 177.584 0.017 0.000 1.164 238 A CA 2.167 54.208 52.037 0.006 0.000 0.643 238 A CB -0.697 18.322 19.000 0.030 0.000 0.806 238 A HN 0.680 nan 8.150 nan 0.000 0.451 239 A N -1.424 121.411 122.820 0.024 0.000 2.267 239 A HA 0.328 4.648 4.320 -0.000 0.000 0.213 239 A C 0.735 178.323 177.584 0.006 0.000 1.192 239 A CA 0.924 52.987 52.037 0.043 0.000 0.851 239 A CB -0.224 18.846 19.000 0.117 0.000 0.881 239 A HN 0.521 nan 8.150 nan 0.000 0.494 240 D N 0.041 120.425 120.400 -0.027 0.000 2.802 240 D HA -0.109 4.531 4.640 -0.000 0.000 0.229 240 D C -2.094 174.170 176.300 -0.059 0.000 1.203 240 D CA 0.715 54.684 54.000 -0.051 0.000 0.712 240 D CB -0.583 40.189 40.800 -0.047 0.000 0.973 240 D HN 0.396 nan 8.370 nan 0.000 0.407 241 P HA 0.148 nan 4.420 nan 0.000 0.274 241 P C 0.348 177.561 177.300 -0.144 0.000 1.237 241 P CA -0.243 62.824 63.100 -0.056 0.000 0.793 241 P CB 0.814 32.514 31.700 0.001 0.000 0.977 242 D N -0.146 120.099 120.400 -0.257 0.000 2.213 242 D HA -0.019 4.621 4.640 -0.000 0.000 0.205 242 D C 0.012 175.991 176.300 -0.536 0.000 0.961 242 D CA 1.676 55.350 54.000 -0.543 0.000 0.853 242 D CB 0.049 40.308 40.800 -0.902 0.000 0.967 242 D HN 0.419 nan 8.370 nan 0.000 0.496 243 Y N -0.191 120.165 120.300 0.094 0.000 2.477 243 Y HA 0.450 5.000 4.550 -0.000 0.000 0.347 243 Y C -0.201 175.793 175.900 0.156 0.000 0.981 243 Y CA -1.095 57.100 58.100 0.159 0.000 1.033 243 Y CB 2.024 40.592 38.460 0.179 0.000 1.245 243 Y HN -0.413 nan 8.280 nan 0.000 0.455 244 V N 2.900 123.017 119.914 0.339 0.000 2.487 244 V HA 0.250 4.369 4.120 -0.000 0.000 0.298 244 V C -0.859 175.440 176.094 0.341 0.000 1.028 244 V CA -1.065 61.398 62.300 0.271 0.000 0.860 244 V CB 1.756 33.669 31.823 0.151 0.000 0.991 244 V HN 0.870 nan 8.190 nan 0.000 0.427 245 W N 5.776 127.178 121.300 0.170 0.000 2.365 245 W HA 0.576 5.236 4.660 -0.000 0.000 0.316 245 W C -0.945 175.665 176.519 0.152 0.000 1.164 245 W CA -0.574 56.859 57.345 0.148 0.000 1.204 245 W CB 1.630 31.163 29.460 0.122 0.000 1.213 245 W HN 0.680 nan 8.180 nan 0.000 0.539 246 C N 5.518 124.385 119.300 -0.722 0.000 2.369 246 C HA 0.588 5.048 4.460 -0.000 0.000 0.322 246 C C 1.145 175.537 174.990 -0.997 0.000 1.258 246 C CA -0.028 58.627 59.018 -0.605 0.000 1.487 246 C CB 0.598 28.192 27.740 -0.243 0.000 2.165 246 C HN 0.910 nan 8.230 nan 0.000 0.483 247 G N 4.520 112.999 108.800 -0.536 0.000 3.189 247 G HA2 0.159 4.119 3.960 -0.000 0.000 0.225 247 G HA3 0.159 4.119 3.960 -0.000 0.000 0.225 247 G C 0.287 174.943 174.900 -0.406 0.000 1.159 247 G CA 0.011 44.881 45.100 -0.383 0.000 0.763 247 G HN 0.705 nan 8.290 nan 0.000 0.549 248 N N 0.455 119.036 118.700 -0.200 0.000 2.604 248 N HA 0.402 5.142 4.740 -0.000 0.000 0.297 248 N C 0.705 176.344 175.510 0.215 0.000 1.266 248 N CA -0.287 52.753 53.050 -0.017 0.000 0.961 248 N CB 0.555 39.053 38.487 0.018 0.000 1.166 248 N HN 0.118 nan 8.380 nan 0.000 0.601 249 T N -2.536 112.190 114.554 0.287 0.000 2.754 249 T HA 0.203 4.553 4.350 -0.000 0.000 0.286 249 T C 1.577 176.379 174.700 0.170 0.000 0.997 249 T CA -0.570 61.681 62.100 0.252 0.000 0.982 249 T CB 0.297 69.248 68.868 0.139 0.000 1.027 249 T HN 0.469 nan 8.240 nan 0.000 0.529 250 I N 0.545 121.221 120.570 0.177 0.000 2.315 250 I HA -0.227 3.943 4.170 -0.000 0.000 0.251 250 I C 2.373 178.538 176.117 0.080 0.000 1.125 250 I CA 1.488 62.866 61.300 0.130 0.000 1.392 250 I CB -0.336 37.733 38.000 0.116 0.000 1.065 250 I HN 0.782 nan 8.210 nan 0.000 0.424 251 S N 0.429 116.168 115.700 0.065 0.000 2.343 251 S HA -0.203 4.267 4.470 -0.000 0.000 0.219 251 S C 2.065 176.687 174.600 0.036 0.000 1.033 251 S CA 1.872 60.096 58.200 0.039 0.000 1.014 251 S CB -0.421 62.795 63.200 0.025 0.000 0.915 251 S HN 0.744 nan 8.310 nan 0.000 0.435 252 S N 0.646 116.370 115.700 0.040 0.000 2.395 252 S HA -0.053 4.417 4.470 -0.000 0.000 0.225 252 S C 2.082 176.701 174.600 0.033 0.000 1.027 252 S CA 0.845 59.063 58.200 0.031 0.000 0.965 252 S CB -1.030 62.185 63.200 0.026 0.000 0.812 252 S HN 0.541 nan 8.310 nan 0.000 0.482 253 C N 2.014 121.341 119.300 0.046 0.000 2.413 253 C HA -0.035 4.425 4.460 -0.000 0.000 0.276 253 C C 3.293 178.323 174.990 0.067 0.000 1.236 253 C CA 1.319 60.368 59.018 0.051 0.000 1.735 253 C CB -1.583 26.204 27.740 0.078 0.000 2.031 253 C HN 0.669 nan 8.230 nan 0.000 0.474 254 S N 0.805 116.544 115.700 0.066 0.000 2.368 254 S HA -0.064 4.406 4.470 -0.000 0.000 0.224 254 S C 1.729 176.354 174.600 0.041 0.000 1.029 254 S CA 1.112 59.346 58.200 0.058 0.000 0.988 254 S CB -0.387 62.836 63.200 0.039 0.000 0.838 254 S HN 0.552 nan 8.310 nan 0.000 0.462 255 L N 0.720 121.961 121.223 0.030 0.000 2.042 255 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 255 L C 2.408 179.288 176.870 0.016 0.000 1.076 255 L CA 0.927 55.778 54.840 0.018 0.000 0.749 255 L CB -0.473 41.595 42.059 0.014 0.000 0.893 255 L HN 0.289 nan 8.230 nan 0.000 0.432 256 L N -0.044 121.191 121.223 0.021 0.000 2.027 256 L HA -0.053 4.287 4.340 -0.000 0.000 0.206 256 L C 2.401 179.284 176.870 0.022 0.000 1.074 256 L CA 2.109 56.958 54.840 0.015 0.000 0.745 256 L CB -1.053 41.015 42.059 0.015 0.000 0.898 256 L HN 0.126 nan 8.230 nan 0.000 0.433 257 G N -0.797 108.030 108.800 0.046 0.000 2.440 257 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.218 257 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.218 257 G C 1.815 176.737 174.900 0.037 0.000 1.154 257 G CA 0.915 46.052 45.100 0.061 0.000 0.767 257 G HN 0.423 nan 8.290 nan 0.000 0.552 258 R N 0.840 121.356 120.500 0.027 0.000 2.081 258 R HA 0.173 4.513 4.340 -0.000 0.000 0.235 258 R C 1.900 178.196 176.300 -0.007 0.000 1.131 258 R CA 0.883 56.986 56.100 0.006 0.000 0.960 258 R CB -0.425 29.877 30.300 0.003 0.000 0.856 258 R HN 0.358 nan 8.270 nan 0.000 0.436 262 K N 1.072 121.453 120.400 -0.033 0.000 2.097 262 K HA -0.083 4.236 4.320 -0.000 0.000 0.206 262 K C 1.622 178.204 176.600 -0.031 0.000 1.049 262 K CA 2.141 58.409 56.287 -0.032 0.000 0.933 262 K CB -0.102 32.382 32.500 -0.027 0.000 0.717 262 K HN 0.783 nan 8.250 nan 0.000 0.442 263 V N -3.323 116.572 119.914 -0.032 0.000 3.608 263 V HA 0.320 4.440 4.120 -0.000 0.000 0.269 263 V C 0.880 176.952 176.094 -0.037 0.000 1.245 263 V CA 0.704 62.984 62.300 -0.033 0.000 1.138 263 V CB 0.063 31.866 31.823 -0.033 0.000 0.841 263 V HN 0.421 nan 8.190 nan 0.000 0.451 264 G N 0.571 109.346 108.800 -0.042 0.000 2.131 264 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.223 264 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.223 264 G C -0.280 174.585 174.900 -0.058 0.000 0.990 264 G CA 0.125 45.197 45.100 -0.047 0.000 0.671 264 G HN 0.842 nan 8.290 nan 0.000 0.521 265 L N 1.536 122.722 121.223 -0.062 0.000 2.385 265 L HA 0.530 4.870 4.340 -0.000 0.000 0.285 265 L C -0.301 176.516 176.870 -0.089 0.000 1.125 265 L CA -0.666 54.128 54.840 -0.076 0.000 0.890 265 L CB 0.441 42.453 42.059 -0.078 0.000 1.251 265 L HN 0.078 nan 8.230 nan 0.000 0.445 266 D N 5.750 126.081 120.400 -0.114 0.000 2.896 266 D HA 0.327 4.967 4.640 -0.000 0.000 0.240 266 D C 0.077 176.231 176.300 -0.242 0.000 1.193 266 D CA 0.197 54.103 54.000 -0.157 0.000 0.983 266 D CB 0.586 41.297 40.800 -0.148 0.000 1.074 266 D HN 0.632 nan 8.370 nan 0.000 0.496 267 A N 0.521 123.221 122.820 -0.200 0.000 2.311 267 A HA 0.617 4.937 4.320 -0.000 0.000 0.334 267 A C -0.332 177.155 177.584 -0.161 0.000 1.139 267 A CA -0.588 51.313 52.037 -0.226 0.000 0.830 267 A CB 0.827 19.766 19.000 -0.102 0.000 1.234 267 A HN 0.089 nan 8.150 nan 0.000 0.483 268 F N 0.217 120.195 119.950 0.048 0.000 2.443 268 F HA 0.404 4.931 4.527 -0.000 0.000 0.353 268 F C 0.282 176.207 175.800 0.208 0.000 1.101 268 F CA -0.221 57.872 58.000 0.155 0.000 1.226 268 F CB 1.002 40.131 39.000 0.215 0.000 1.140 268 F HN 0.358 nan 8.300 nan 0.000 0.557 269 L N 5.266 126.741 121.223 0.419 0.000 2.282 269 L HA 0.605 4.945 4.340 -0.000 0.000 0.288 269 L C -1.361 175.703 176.870 0.324 0.000 1.033 269 L CA -0.693 54.328 54.840 0.301 0.000 0.807 269 L CB 1.136 43.316 42.059 0.202 0.000 1.209 269 L HN 0.539 nan 8.230 nan 0.000 0.423 270 L N 5.055 126.447 121.223 0.282 0.000 2.333 270 L HA 0.772 5.112 4.340 -0.000 0.000 0.280 270 L C -0.208 176.693 176.870 0.052 0.000 1.004 270 L CA 0.156 55.144 54.840 0.246 0.000 0.820 270 L CB 1.855 44.123 42.059 0.348 0.000 1.247 270 L HN 0.853 nan 8.230 nan 0.000 0.416 271 T N 1.036 115.568 114.554 -0.037 0.000 2.912 271 T HA 0.510 4.860 4.350 -0.000 0.000 0.288 271 T C 0.028 174.610 174.700 -0.197 0.000 1.030 271 T CA -0.662 61.288 62.100 -0.251 0.000 1.020 271 T CB 0.955 69.819 68.868 -0.008 0.000 1.056 271 T HN 0.850 nan 8.240 nan 0.000 0.480 272 N N 1.157 119.605 118.700 -0.420 0.000 2.267 272 N HA 0.036 4.776 4.740 -0.000 0.000 0.226 272 N C 1.392 177.023 175.510 0.203 0.000 1.314 272 N CA -0.316 52.786 53.050 0.087 0.000 0.887 272 N CB 0.382 38.954 38.487 0.143 0.000 1.120 272 N HN 0.399 nan 8.380 nan 0.000 0.440 273 V N 0.287 120.356 119.914 0.257 0.000 2.380 273 V HA -0.208 3.912 4.120 -0.000 0.000 0.251 273 V C 0.882 177.023 176.094 0.078 0.000 1.063 273 V CA 1.476 63.860 62.300 0.140 0.000 1.055 273 V CB -0.828 31.026 31.823 0.052 0.000 0.657 273 V HN 0.816 nan 8.190 nan 0.000 0.455 274 W N -0.176 121.314 121.300 0.317 0.000 3.180 274 W HA 0.329 4.989 4.660 -0.000 0.000 0.254 274 W C 2.049 178.686 176.519 0.197 0.000 1.318 274 W CA 0.302 57.780 57.345 0.222 0.000 1.608 274 W CB -0.329 29.190 29.460 0.098 0.000 1.124 274 W HN 0.339 nan 8.180 nan 0.000 0.694 275 G N -1.223 107.792 108.800 0.358 0.000 3.159 275 G HA2 0.160 4.119 3.960 -0.000 0.000 0.232 275 G HA3 0.160 4.119 3.960 -0.000 0.000 0.232 275 G C -0.816 174.273 174.900 0.315 0.000 1.116 275 G CA -0.026 45.235 45.100 0.267 0.000 0.767 275 G HN 0.116 nan 8.290 nan 0.000 0.547 276 F N 1.414 121.458 119.950 0.156 0.000 2.604 276 F HA 0.463 4.990 4.527 -0.000 0.000 0.316 276 F C -1.431 174.477 175.800 0.180 0.000 1.136 276 F CA -0.970 57.127 58.000 0.161 0.000 0.989 276 F CB 1.900 41.005 39.000 0.175 0.000 1.258 276 F HN 0.263 nan 8.300 nan 0.000 0.451 277 D N 1.923 122.222 120.400 -0.169 0.000 3.145 277 D HA 0.209 4.849 4.640 -0.000 0.000 0.345 277 D C 0.145 176.322 176.300 -0.205 0.000 1.391 277 D CA -0.482 53.458 54.000 -0.101 0.000 0.930 277 D CB 0.478 41.206 40.800 -0.119 0.000 1.451 277 D HN 0.276 nan 8.370 nan 0.000 0.555 278 E N -0.701 119.413 120.200 -0.143 0.000 2.267 278 E HA -0.054 4.296 4.350 -0.000 0.000 0.197 278 E C 1.646 178.183 176.600 -0.106 0.000 0.998 278 E CA 1.142 57.492 56.400 -0.083 0.000 0.830 278 E CB -0.143 29.504 29.700 -0.089 0.000 0.751 278 E HN 0.279 nan 8.360 nan 0.000 0.491 279 R N -0.280 120.147 120.500 -0.122 0.000 2.275 279 R HA 0.131 4.471 4.340 -0.000 0.000 0.199 279 R C 2.045 178.274 176.300 -0.118 0.000 0.989 279 R CA 0.533 56.578 56.100 -0.091 0.000 1.016 279 R CB 0.149 30.414 30.300 -0.058 0.000 0.918 279 R HN 0.013 nan 8.270 nan 0.000 0.473 280 S N 1.303 116.855 115.700 -0.246 0.000 2.370 280 S HA -0.072 4.398 4.470 -0.000 0.000 0.226 280 S C -1.008 173.524 174.600 -0.113 0.000 1.033 280 S CA 1.261 59.285 58.200 -0.293 0.000 1.011 280 S CB -0.747 61.948 63.200 -0.843 0.000 0.852 280 S HN 0.206 nan 8.310 nan 0.000 0.457 281 P HA -0.101 nan 4.420 nan 0.000 0.215 281 P C 1.261 178.643 177.300 0.137 0.000 1.153 281 P CA 1.250 64.393 63.100 0.072 0.000 0.853 281 P CB -0.039 31.661 31.700 -0.001 0.000 0.788 282 Q N -0.929 118.904 119.800 0.055 0.000 2.123 282 Q HA -0.009 4.331 4.340 -0.000 0.000 0.199 282 Q C 2.207 178.227 176.000 0.033 0.000 0.966 282 Q CA 1.141 56.974 55.803 0.051 0.000 0.845 282 Q CB -1.060 27.690 28.738 0.021 0.000 0.907 282 Q HN 0.239 nan 8.270 nan 0.000 0.439 283 L N -0.554 120.677 121.223 0.013 0.000 2.109 283 L HA -0.051 4.289 4.340 -0.000 0.000 0.207 283 L C 1.968 178.852 176.870 0.023 0.000 1.086 283 L CA 0.861 55.707 54.840 0.010 0.000 0.760 283 L CB -0.223 41.834 42.059 -0.002 0.000 0.910 283 L HN 0.224 nan 8.230 nan 0.000 0.437 284 I N -0.935 119.661 120.570 0.043 0.000 2.480 284 I HA 0.085 4.254 4.170 -0.000 0.000 0.251 284 I C 1.292 177.427 176.117 0.030 0.000 1.124 284 I CA 0.567 61.901 61.300 0.057 0.000 1.444 284 I CB -0.353 37.710 38.000 0.105 0.000 1.098 284 I HN 0.355 nan 8.210 nan 0.000 0.428 285 G N 1.299 110.125 108.800 0.045 0.000 2.796 285 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.571 285 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.571 285 G C 0.644 175.323 174.900 -0.369 0.000 1.370 285 G CA 0.102 45.159 45.100 -0.072 0.000 0.856 285 G HN 0.306 nan 8.290 nan 0.000 0.538 286 E N 0.467 120.245 120.200 -0.704 0.000 2.160 286 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 286 E C 2.489 178.688 176.600 -0.669 0.000 0.991 286 E CA 2.481 58.104 56.400 -1.295 0.000 0.810 286 E CB -0.937 28.358 29.700 -0.675 0.000 0.742 286 E HN 1.067 nan 8.360 nan 0.000 0.466 287 G N 0.427 109.037 108.800 -0.316 0.000 2.450 287 G HA2 -0.213 3.746 3.960 -0.000 0.000 0.220 287 G HA3 -0.213 3.746 3.960 -0.000 0.000 0.220 287 G C 1.534 176.398 174.900 -0.059 0.000 1.130 287 G CA 0.790 45.804 45.100 -0.143 0.000 0.760 287 G HN 0.419 nan 8.290 nan 0.000 0.557 288 G N -1.110 107.681 108.800 -0.016 0.000 3.042 288 G HA2 0.171 4.131 3.960 -0.000 0.000 0.212 288 G HA3 0.171 4.131 3.960 -0.000 0.000 0.212 288 G C 0.171 175.220 174.900 0.249 0.000 1.166 288 G CA -0.557 44.613 45.100 0.116 0.000 0.767 288 G HN 0.203 nan 8.290 nan 0.000 0.546 289 Y N 0.710 121.036 120.300 0.044 0.000 2.721 289 Y HA 0.315 4.864 4.550 -0.000 0.000 0.329 289 Y C 1.637 177.569 175.900 0.054 0.000 1.211 289 Y CA 0.412 58.539 58.100 0.045 0.000 1.512 289 Y CB 0.514 38.998 38.460 0.040 0.000 1.249 289 Y HN 0.248 nan 8.280 nan 0.000 0.549 290 G N 3.013 111.915 108.800 0.171 0.000 2.179 290 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.260 290 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.260 290 G C 0.853 175.864 174.900 0.184 0.000 0.977 290 G CA 0.412 45.595 45.100 0.138 0.000 0.641 290 G HN 0.620 nan 8.290 nan 0.000 0.533 291 K N -0.577 119.926 120.400 0.171 0.000 2.501 291 K HA 0.474 4.794 4.320 -0.000 0.000 0.204 291 K C -0.160 176.609 176.600 0.282 0.000 1.067 291 K CA 0.117 56.613 56.287 0.348 0.000 1.060 291 K CB 1.946 34.564 32.500 0.197 0.000 0.873 291 K HN 0.237 nan 8.250 nan 0.000 0.540 292 V N 1.261 121.170 119.914 -0.009 0.000 2.709 292 V HA 0.517 4.637 4.120 -0.000 0.000 0.308 292 V C -1.034 174.814 176.094 -0.410 0.000 1.062 292 V CA -0.860 61.456 62.300 0.027 0.000 0.901 292 V CB 1.502 33.467 31.823 0.237 0.000 1.003 292 V HN 0.001 nan 8.190 nan 0.000 0.425 293 F N 1.256 121.117 119.950 -0.148 0.000 2.565 293 F HA 0.825 5.352 4.527 -0.000 0.000 0.313 293 F C 0.640 176.003 175.800 -0.728 0.000 1.091 293 F CA -0.555 57.190 58.000 -0.424 0.000 0.915 293 F CB 2.493 41.382 39.000 -0.185 0.000 1.208 293 F HN 0.626 nan 8.300 nan 0.000 0.453 294 G N 2.507 110.739 108.800 -0.948 0.000 2.452 294 G HA2 0.711 4.671 3.960 -0.000 0.000 0.324 294 G HA3 0.711 4.671 3.960 -0.000 0.000 0.324 294 G C -1.128 173.699 174.900 -0.123 0.000 1.214 294 G CA -0.702 44.029 45.100 -0.615 0.000 0.947 294 G HN 0.568 nan 8.290 nan 0.000 0.478 295 I N 0.919 121.529 120.570 0.067 0.000 2.440 295 I HA 0.517 4.687 4.170 -0.000 0.000 0.294 295 I C 0.388 176.636 176.117 0.218 0.000 0.995 295 I CA -0.295 61.084 61.300 0.131 0.000 1.306 295 I CB 1.919 40.030 38.000 0.185 0.000 1.407 295 I HN 0.422 nan 8.210 nan 0.000 0.501 296 S N 5.928 121.768 115.700 0.234 0.000 2.603 296 S HA 0.425 4.894 4.470 -0.000 0.000 0.274 296 S C -2.344 172.371 174.600 0.191 0.000 1.168 296 S CA -1.066 57.310 58.200 0.293 0.000 0.963 296 S CB 1.741 65.272 63.200 0.551 0.000 1.078 296 S HN 0.266 nan 8.310 nan 0.000 0.477 297 P HA 0.181 nan 4.420 nan 0.000 0.233 297 P C -0.599 176.516 177.300 -0.309 0.000 1.167 297 P CA 0.706 63.557 63.100 -0.414 0.000 0.770 297 P CB -0.118 31.025 31.700 -0.927 0.000 0.837 298 F N -1.301 118.916 119.950 0.444 0.000 2.520 298 F HA 0.389 4.916 4.527 -0.000 0.000 0.322 298 F C 0.544 176.557 175.800 0.355 0.000 1.103 298 F CA -1.814 56.426 58.000 0.400 0.000 0.926 298 F CB 0.525 39.672 39.000 0.245 0.000 1.154 298 F HN -0.349 nan 8.300 nan 0.000 0.453 299 I N 3.124 123.866 120.570 0.287 0.000 2.710 299 I HA 0.041 4.211 4.170 -0.000 0.000 0.286 299 I C -0.535 175.738 176.117 0.260 0.000 1.181 299 I CA -0.146 61.109 61.300 -0.075 0.000 1.430 299 I CB -0.155 37.718 38.000 -0.211 0.000 1.367 299 I HN 0.277 nan 8.210 nan 0.000 0.577 300 Y N 8.220 128.548 120.300 0.047 0.000 2.397 300 Y HA 0.295 4.845 4.550 -0.000 0.000 0.335 300 Y C -1.649 174.202 175.900 -0.081 0.000 1.213 300 Y CA -2.629 55.465 58.100 -0.010 0.000 1.391 300 Y CB -0.682 37.715 38.460 -0.104 0.000 1.293 300 Y HN 0.533 nan 8.280 nan 0.000 0.557 304 G N -0.372 108.509 108.800 0.135 0.000 3.969 304 G HA2 0.182 4.141 3.960 -0.000 0.000 0.291 304 G HA3 0.182 4.141 3.960 -0.000 0.000 0.291 304 G C 0.854 175.826 174.900 0.119 0.000 1.016 304 G CA 0.036 45.199 45.100 0.106 0.000 0.819 304 G HN 0.203 nan 8.290 nan 0.000 0.493 305 Q N 0.211 120.078 119.800 0.113 0.000 2.242 305 Q HA -0.139 4.201 4.340 -0.000 0.000 0.211 305 Q C 0.926 176.973 176.000 0.078 0.000 0.992 305 Q CA 1.582 57.439 55.803 0.091 0.000 0.889 305 Q CB 0.155 28.920 28.738 0.045 0.000 0.913 305 Q HN 0.350 nan 8.270 nan 0.000 0.422 306 D N -0.717 119.726 120.400 0.072 0.000 2.462 306 D HA 0.101 4.740 4.640 -0.000 0.000 0.221 306 D C -0.792 175.549 176.300 0.068 0.000 1.173 306 D CA 0.097 54.133 54.000 0.061 0.000 0.831 306 D CB 0.906 41.733 40.800 0.046 0.000 1.001 306 D HN -0.038 nan 8.370 nan 0.000 0.499 307 V N 1.945 121.908 119.914 0.082 0.000 2.407 307 V HA 0.011 4.131 4.120 -0.000 0.000 0.278 307 V C 1.603 177.757 176.094 0.100 0.000 1.037 307 V CA -0.361 61.990 62.300 0.085 0.000 0.900 307 V CB 2.364 34.236 31.823 0.081 0.000 0.983 307 V HN 0.018 nan 8.190 nan 0.000 0.459 308 E N 4.367 124.635 120.200 0.113 0.000 2.049 308 E HA -0.210 4.140 4.350 -0.000 0.000 0.198 308 E C 2.070 178.784 176.600 0.189 0.000 1.007 308 E CA 2.063 58.551 56.400 0.146 0.000 0.809 308 E CB -0.127 29.671 29.700 0.162 0.000 0.749 308 E HN 0.906 nan 8.360 nan 0.000 0.450 309 G N 1.245 110.194 108.800 0.248 0.000 2.422 309 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 309 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 309 G C 1.659 176.597 174.900 0.064 0.000 1.146 309 G CA 0.652 45.982 45.100 0.383 0.000 0.769 309 G HN 0.221 nan 8.290 nan 0.000 0.547 310 I N 0.741 121.311 120.570 -0.001 0.000 2.226 310 I HA -0.106 4.063 4.170 -0.000 0.000 0.245 310 I C 2.743 178.755 176.117 -0.174 0.000 1.100 310 I CA 0.955 62.155 61.300 -0.166 0.000 1.374 310 I CB -0.925 37.049 38.000 -0.044 0.000 1.057 310 I HN 0.195 nan 8.210 nan 0.000 0.413 311 Q N 0.125 119.944 119.800 0.032 0.000 2.167 311 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 311 Q C 2.228 178.193 176.000 -0.058 0.000 0.970 311 Q CA 1.389 57.254 55.803 0.103 0.000 0.855 311 Q CB -0.709 28.094 28.738 0.108 0.000 0.911 311 Q HN 0.467 nan 8.270 nan 0.000 0.438 312 T N 1.516 115.969 114.554 -0.169 0.000 2.746 312 T HA -0.063 4.287 4.350 -0.000 0.000 0.267 312 T C 2.008 176.209 174.700 -0.833 0.000 1.039 312 T CA 0.913 62.771 62.100 -0.404 0.000 1.142 312 T CB -0.157 68.509 68.868 -0.337 0.000 0.866 312 T HN 0.212 nan 8.240 nan 0.000 0.444 313 I N 0.139 120.130 120.570 -0.964 0.000 2.226 313 I HA -0.127 4.043 4.170 -0.000 0.000 0.245 313 I C 2.023 177.724 176.117 -0.694 0.000 1.100 313 I CA 1.288 61.861 61.300 -1.213 0.000 1.374 313 I CB -0.437 36.808 38.000 -1.258 0.000 1.057 313 I HN 0.138 nan 8.210 nan 0.000 0.413 314 F N 1.132 120.849 119.950 -0.389 0.000 2.161 314 F HA -0.215 4.312 4.527 -0.000 0.000 0.300 314 F C 2.599 178.273 175.800 -0.210 0.000 1.089 314 F CA 1.509 59.363 58.000 -0.244 0.000 1.282 314 F CB -0.674 38.226 39.000 -0.167 0.000 1.010 314 F HN 0.149 nan 8.300 nan 0.000 0.485 315 E N 0.041 120.202 120.200 -0.066 0.000 2.072 315 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 315 E C 2.402 178.965 176.600 -0.062 0.000 0.985 315 E CA 0.894 57.270 56.400 -0.040 0.000 0.801 315 E CB -0.144 29.562 29.700 0.011 0.000 0.750 315 E HN 0.286 nan 8.360 nan 0.000 0.452 316 A N 1.452 124.081 122.820 -0.318 0.000 1.883 316 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 316 A C 2.411 179.959 177.584 -0.059 0.000 1.186 316 A CA 2.074 53.997 52.037 -0.189 0.000 0.624 316 A CB -0.866 17.885 19.000 -0.416 0.000 0.822 316 A HN 0.410 nan 8.150 nan 0.000 0.444 317 A N -0.209 122.551 122.820 -0.100 0.000 1.883 317 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 317 A C 1.735 179.323 177.584 0.008 0.000 1.186 317 A CA 1.158 53.176 52.037 -0.031 0.000 0.624 317 A CB -0.393 18.602 19.000 -0.008 0.000 0.822 317 A HN 0.592 nan 8.150 nan 0.000 0.444 321 G N 1.174 109.983 108.800 0.015 0.000 2.249 321 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.273 321 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.273 321 G C -0.133 174.772 174.900 0.009 0.000 1.036 321 G CA 0.560 45.666 45.100 0.010 0.000 0.824 321 G HN 0.179 nan 8.290 nan 0.000 0.504 322 V N 0.681 120.601 119.914 0.009 0.000 2.394 322 V HA 0.610 4.730 4.120 -0.000 0.000 0.282 322 V C 1.096 177.198 176.094 0.013 0.000 1.031 322 V CA 0.026 62.331 62.300 0.007 0.000 0.881 322 V CB 1.612 33.434 31.823 -0.001 0.000 0.982 322 V HN 0.678 nan 8.190 nan 0.000 0.451 323 S N 3.039 118.745 115.700 0.011 0.000 2.549 323 S HA -0.001 4.469 4.470 -0.000 0.000 0.286 323 S C 1.345 175.966 174.600 0.035 0.000 1.314 323 S CA 0.334 58.542 58.200 0.013 0.000 1.062 323 S CB 0.584 63.787 63.200 0.004 0.000 0.865 323 S HN 0.945 nan 8.310 nan 0.000 0.498 324 E N 2.412 122.636 120.200 0.040 0.000 2.130 324 E HA -0.250 4.099 4.350 -0.000 0.000 0.196 324 E C 1.123 177.795 176.600 0.119 0.000 0.998 324 E CA 1.889 58.348 56.400 0.099 0.000 0.806 324 E CB -0.243 29.432 29.700 -0.041 0.000 0.738 324 E HN 0.925 nan 8.360 nan 0.000 0.459 325 D N -0.104 120.321 120.400 0.043 0.000 2.392 325 D HA -0.169 4.471 4.640 -0.000 0.000 0.228 325 D C 1.240 177.552 176.300 0.019 0.000 1.003 325 D CA 0.698 54.715 54.000 0.028 0.000 0.917 325 D CB -0.279 40.522 40.800 0.002 0.000 0.890 325 D HN 0.369 nan 8.370 nan 0.000 0.532 326 Q N -0.437 119.375 119.800 0.020 0.000 2.360 326 Q HA 0.133 4.473 4.340 -0.000 0.000 0.202 326 Q C 0.086 176.072 176.000 -0.023 0.000 0.915 326 Q CA -0.076 55.726 55.803 -0.002 0.000 0.943 326 Q CB 0.838 29.574 28.738 -0.003 0.000 1.064 326 Q HN 0.312 nan 8.270 nan 0.000 0.511 327 I N 3.188 123.749 120.570 -0.014 0.000 2.312 327 I HA 0.135 4.305 4.170 -0.000 0.000 0.291 327 I C -0.050 175.998 176.117 -0.115 0.000 1.031 327 I CA -0.152 61.082 61.300 -0.110 0.000 1.293 327 I CB -0.153 37.716 38.000 -0.219 0.000 1.403 327 I HN 0.179 nan 8.210 nan 0.000 0.484 328 N N 4.797 123.414 118.700 -0.140 0.000 3.157 328 N HA 0.299 5.039 4.740 -0.000 0.000 0.291 328 N C 0.452 175.851 175.510 -0.184 0.000 1.515 328 N CA -0.895 52.063 53.050 -0.152 0.000 0.807 328 N CB 0.775 39.192 38.487 -0.118 0.000 1.672 328 N HN 0.194 nan 8.380 nan 0.000 0.592 329 L N -0.207 120.852 121.223 -0.274 0.000 2.043 329 L HA -0.058 4.282 4.340 -0.000 0.000 0.212 329 L C 1.844 178.656 176.870 -0.097 0.000 1.075 329 L CA 1.904 56.585 54.840 -0.264 0.000 0.752 329 L CB -0.448 41.292 42.059 -0.531 0.000 0.891 329 L HN 0.495 nan 8.230 nan 0.000 0.432 330 R N -0.529 119.961 120.500 -0.016 0.000 2.075 330 R HA -0.029 4.310 4.340 -0.000 0.000 0.232 330 R C 2.289 178.668 176.300 0.131 0.000 1.126 330 R CA 1.531 57.728 56.100 0.161 0.000 0.963 330 R CB -1.527 28.907 30.300 0.223 0.000 0.858 330 R HN 0.379 nan 8.270 nan 0.000 0.435 331 V N 0.938 120.862 119.914 0.016 0.000 2.332 331 V HA -0.209 3.910 4.120 -0.000 0.000 0.248 331 V C 2.594 178.654 176.094 -0.057 0.000 1.055 331 V CA 1.674 63.953 62.300 -0.036 0.000 1.038 331 V CB -0.603 31.161 31.823 -0.099 0.000 0.651 331 V HN 0.008 nan 8.190 nan 0.000 0.450 332 V N -0.357 119.494 119.914 -0.105 0.000 2.332 332 V HA -0.354 3.766 4.120 -0.000 0.000 0.248 332 V C 2.481 178.503 176.094 -0.119 0.000 1.055 332 V CA 2.219 64.453 62.300 -0.110 0.000 1.038 332 V CB -0.819 30.936 31.823 -0.114 0.000 0.651 332 V HN 0.593 nan 8.190 nan 0.000 0.450 333 Q N -0.044 119.669 119.800 -0.146 0.000 2.124 333 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 333 Q C 2.397 178.428 176.000 0.053 0.000 0.977 333 Q CA 1.670 57.381 55.803 -0.153 0.000 0.850 333 Q CB -0.507 28.302 28.738 0.117 0.000 0.901 333 Q HN 0.738 nan 8.270 nan 0.000 0.429 334 G N 0.175 108.923 108.800 -0.087 0.000 2.394 334 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.214 334 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.214 334 G C 1.159 175.869 174.900 -0.318 0.000 1.176 334 G CA 0.242 44.973 45.100 -0.616 0.000 0.786 334 G HN 0.286 nan 8.290 nan 0.000 0.533 335 F N 1.757 121.548 119.950 -0.265 0.000 2.095 335 F HA -0.189 4.338 4.527 -0.000 0.000 0.298 335 F C 2.850 178.639 175.800 -0.019 0.000 1.104 335 F CA 2.076 59.967 58.000 -0.181 0.000 1.232 335 F CB -0.128 38.772 39.000 -0.167 0.000 0.987 335 F HN 0.068 nan 8.300 nan 0.000 0.475 336 V N -1.507 118.557 119.914 0.249 0.000 2.626 336 V HA -0.214 3.906 4.120 -0.000 0.000 0.252 336 V C 1.971 178.152 176.094 0.146 0.000 1.067 336 V CA 2.020 64.489 62.300 0.281 0.000 1.081 336 V CB -1.063 30.884 31.823 0.207 0.000 0.686 336 V HN 0.276 nan 8.190 nan 0.000 0.468 337 N N 1.191 119.928 118.700 0.063 0.000 2.106 337 N HA -0.083 4.657 4.740 -0.000 0.000 0.188 337 N C 1.767 177.223 175.510 -0.091 0.000 1.029 337 N CA 1.772 54.859 53.050 0.061 0.000 0.848 337 N CB -0.754 37.822 38.487 0.148 0.000 1.007 337 N HN 0.462 nan 8.380 nan 0.000 0.423 338 V N -0.109 119.636 119.914 -0.282 0.000 2.343 338 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 338 V C 2.012 177.929 176.094 -0.296 0.000 1.051 338 V CA 1.166 63.171 62.300 -0.492 0.000 1.036 338 V CB -0.530 30.706 31.823 -0.979 0.000 0.654 338 V HN 0.436 nan 8.190 nan 0.000 0.451 339 W N 0.374 121.432 121.300 -0.404 0.000 2.363 339 W HA -0.160 4.499 4.660 -0.000 0.000 0.296 339 W C 2.253 178.559 176.519 -0.355 0.000 1.212 339 W CA 1.666 58.768 57.345 -0.406 0.000 1.260 339 W CB -0.784 28.608 29.460 -0.113 0.000 1.131 339 W HN 0.272 nan 8.180 nan 0.000 0.530 340 L N 0.669 121.849 121.223 -0.072 0.000 2.042 340 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 340 L C 2.470 179.137 176.870 -0.339 0.000 1.076 340 L CA 1.976 56.649 54.840 -0.278 0.000 0.749 340 L CB -1.427 40.523 42.059 -0.181 0.000 0.893 340 L HN 0.017 nan 8.230 nan 0.000 0.432 341 L N -0.738 120.349 121.223 -0.226 0.000 2.017 341 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 341 L C 2.349 179.110 176.870 -0.182 0.000 1.073 341 L CA 1.734 56.457 54.840 -0.196 0.000 0.745 341 L CB -0.658 41.327 42.059 -0.123 0.000 0.894 341 L HN 0.228 nan 8.230 nan 0.000 0.432 342 I N -0.026 120.420 120.570 -0.206 0.000 2.163 342 I HA -0.288 3.881 4.170 -0.000 0.000 0.243 342 I C 2.477 178.515 176.117 -0.131 0.000 1.085 342 I CA 1.401 62.568 61.300 -0.220 0.000 1.347 342 I CB -1.482 36.206 38.000 -0.519 0.000 1.044 342 I HN 0.358 nan 8.210 nan 0.000 0.408 343 K N 0.814 121.136 120.400 -0.130 0.000 2.097 343 K HA -0.092 4.228 4.320 -0.000 0.000 0.206 343 K C 2.184 178.803 176.600 0.032 0.000 1.049 343 K CA 1.443 57.711 56.287 -0.031 0.000 0.933 343 K CB -0.320 32.133 32.500 -0.078 0.000 0.717 343 K HN 0.327 nan 8.250 nan 0.000 0.442 344 A N 1.758 124.490 122.820 -0.147 0.000 1.877 344 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 344 A C 2.252 179.833 177.584 -0.005 0.000 1.186 344 A CA 1.338 53.333 52.037 -0.069 0.000 0.620 344 A CB -0.630 18.247 19.000 -0.204 0.000 0.822 344 A HN 0.190 nan 8.150 nan 0.000 0.443 345 I N -0.317 120.234 120.570 -0.032 0.000 2.208 345 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 345 I C 2.261 178.393 176.117 0.025 0.000 1.097 345 I CA 1.651 62.947 61.300 -0.007 0.000 1.363 345 I CB -0.475 37.510 38.000 -0.024 0.000 1.051 345 I HN 0.406 nan 8.210 nan 0.000 0.413 346 E N 0.226 120.449 120.200 0.037 0.000 2.409 346 E HA -0.109 4.241 4.350 -0.000 0.000 0.198 346 E C 1.818 178.465 176.600 0.077 0.000 1.024 346 E CA 0.811 57.254 56.400 0.071 0.000 0.861 346 E CB 0.025 29.777 29.700 0.087 0.000 0.788 346 E HN 0.379 nan 8.360 nan 0.000 0.521 347 S N 0.078 115.826 115.700 0.080 0.000 2.556 347 S HA 0.050 4.520 4.470 -0.000 0.000 0.216 347 S C 0.500 175.131 174.600 0.051 0.000 0.970 347 S CA -0.228 58.016 58.200 0.073 0.000 0.912 347 S CB 0.518 63.787 63.200 0.116 0.000 0.790 347 S HN 0.158 nan 8.310 nan 0.000 0.504 348 V N 0.344 120.285 119.914 0.046 0.000 2.881 348 V HA 0.782 4.901 4.120 -0.000 0.000 0.316 348 V C 0.170 176.288 176.094 0.040 0.000 1.070 348 V CA -0.977 61.346 62.300 0.039 0.000 0.976 348 V CB 1.135 32.979 31.823 0.034 0.000 1.038 348 V HN 0.230 nan 8.190 nan 0.000 0.446 349 T N -0.010 114.566 114.554 0.036 0.000 2.882 349 T HA 0.300 4.650 4.350 -0.000 0.000 0.287 349 T C 1.345 176.067 174.700 0.036 0.000 1.014 349 T CA 0.226 62.348 62.100 0.037 0.000 1.049 349 T CB 1.110 69.997 68.868 0.032 0.000 1.001 349 T HN 1.448 nan 8.240 nan 0.000 0.525 350 S N 1.543 117.266 115.700 0.038 0.000 2.399 350 S HA -0.206 4.264 4.470 -0.000 0.000 0.231 350 S C 1.883 176.501 174.600 0.030 0.000 1.022 350 S CA 0.811 59.032 58.200 0.034 0.000 0.983 350 S CB -0.668 62.554 63.200 0.037 0.000 0.803 350 S HN 0.754 nan 8.310 nan 0.000 0.480 351 Q N 1.535 121.353 119.800 0.030 0.000 2.050 351 Q HA -0.053 4.286 4.340 -0.000 0.000 0.202 351 Q C 1.976 177.995 176.000 0.031 0.000 0.980 351 Q CA 1.728 57.547 55.803 0.028 0.000 0.840 351 Q CB -0.617 28.137 28.738 0.026 0.000 0.898 351 Q HN 0.536 nan 8.270 nan 0.000 0.424 352 D N -0.305 120.115 120.400 0.033 0.000 2.104 352 D HA -0.145 4.495 4.640 -0.000 0.000 0.194 352 D C 1.660 177.984 176.300 0.040 0.000 0.994 352 D CA 0.653 54.676 54.000 0.037 0.000 0.830 352 D CB -0.073 40.749 40.800 0.037 0.000 0.959 352 D HN 0.139 nan 8.370 nan 0.000 0.452 353 L N 0.758 122.003 121.223 0.036 0.000 2.046 353 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 353 L C 2.306 179.196 176.870 0.034 0.000 1.077 353 L CA 1.707 56.568 54.840 0.035 0.000 0.747 353 L CB -0.560 41.515 42.059 0.027 0.000 0.896 353 L HN 0.067 nan 8.230 nan 0.000 0.432 354 Q N -0.945 118.873 119.800 0.030 0.000 2.079 354 Q HA -0.200 4.139 4.340 -0.000 0.000 0.200 354 Q C 2.081 178.099 176.000 0.030 0.000 0.974 354 Q CA 1.867 57.685 55.803 0.026 0.000 0.840 354 Q CB 0.015 28.767 28.738 0.023 0.000 0.898 354 Q HN 0.632 nan 8.270 nan 0.000 0.430 355 E N -0.122 120.098 120.200 0.034 0.000 2.051 355 E HA -0.069 4.281 4.350 -0.000 0.000 0.189 355 E C 1.591 178.218 176.600 0.045 0.000 0.979 355 E CA 0.690 57.112 56.400 0.036 0.000 0.803 355 E CB 0.247 29.968 29.700 0.035 0.000 0.761 355 E HN 0.166 nan 8.360 nan 0.000 0.451 356 R N -0.303 120.230 120.500 0.055 0.000 2.404 356 R HA 0.217 4.557 4.340 -0.000 0.000 0.237 356 R C 1.211 177.564 176.300 0.089 0.000 0.907 356 R CA 0.307 56.451 56.100 0.074 0.000 1.063 356 R CB 1.056 31.406 30.300 0.084 0.000 1.134 356 R HN 0.158 nan 8.270 nan 0.000 0.529 357 G N 1.362 110.205 108.800 0.071 0.000 2.692 357 G HA2 -0.457 3.503 3.960 -0.000 0.000 0.339 357 G HA3 -0.457 3.503 3.960 -0.000 0.000 0.339 357 G C 1.096 176.060 174.900 0.106 0.000 1.226 357 G CA 0.554 45.697 45.100 0.072 0.000 0.979 357 G HN 0.408 nan 8.290 nan 0.000 0.549 358 G N -0.062 108.820 108.800 0.136 0.000 2.450 358 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.220 358 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.220 358 G C 1.505 176.642 174.900 0.396 0.000 1.130 358 G CA 1.719 46.957 45.100 0.230 0.000 0.760 358 G HN 0.884 nan 8.290 nan 0.000 0.557 359 E N 0.319 120.750 120.200 0.386 0.000 2.106 359 E HA 0.019 4.369 4.350 -0.000 0.000 0.192 359 E C 2.743 179.445 176.600 0.170 0.000 0.984 359 E CA 0.813 57.444 56.400 0.384 0.000 0.806 359 E CB -0.193 29.703 29.700 0.327 0.000 0.750 359 E HN 0.353 nan 8.360 nan 0.000 0.458 360 A N 0.867 123.763 122.820 0.127 0.000 1.933 360 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 360 A C 2.138 179.747 177.584 0.042 0.000 1.175 360 A CA 0.972 53.053 52.037 0.072 0.000 0.628 360 A CB -0.530 18.507 19.000 0.062 0.000 0.814 360 A HN 0.287 nan 8.150 nan 0.000 0.444 361 L N -0.485 120.767 121.223 0.047 0.000 2.056 361 L HA -0.190 4.149 4.340 -0.000 0.000 0.207 361 L C 2.621 179.426 176.870 -0.108 0.000 1.078 361 L CA 1.895 56.723 54.840 -0.019 0.000 0.749 361 L CB -0.453 41.605 42.059 -0.001 0.000 0.901 361 L HN 0.548 nan 8.230 nan 0.000 0.433 362 K N 0.775 121.138 120.400 -0.062 0.000 2.032 362 K HA -0.233 4.087 4.320 -0.000 0.000 0.209 362 K C 1.847 178.378 176.600 -0.115 0.000 1.048 362 K CA 1.865 58.055 56.287 -0.161 0.000 0.927 362 K CB -0.084 32.170 32.500 -0.411 0.000 0.712 362 K HN 0.326 nan 8.250 nan 0.000 0.441 363 E N 0.003 120.173 120.200 -0.051 0.000 2.106 363 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 363 E C 2.050 178.658 176.600 0.012 0.000 0.984 363 E CA 0.876 57.276 56.400 -0.001 0.000 0.806 363 E CB -0.108 29.604 29.700 0.020 0.000 0.750 363 E HN 0.509 nan 8.360 nan 0.000 0.458 364 A N 1.234 124.055 122.820 0.002 0.000 1.902 364 A HA -0.149 4.170 4.320 -0.000 0.000 0.217 364 A C 2.164 179.820 177.584 0.119 0.000 1.181 364 A CA 1.009 53.075 52.037 0.047 0.000 0.623 364 A CB -0.579 18.451 19.000 0.051 0.000 0.818 364 A HN 0.136 nan 8.150 nan 0.000 0.443 365 L N -0.814 120.390 121.223 -0.032 0.000 2.201 365 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 365 L C 2.309 179.311 176.870 0.220 0.000 1.105 365 L CA 1.279 56.102 54.840 -0.030 0.000 0.775 365 L CB -0.354 41.108 42.059 -0.995 0.000 0.913 365 L HN 0.462 nan 8.230 nan 0.000 0.440 366 E N -0.401 119.876 120.200 0.129 0.000 2.385 366 E HA 0.003 4.353 4.350 -0.000 0.000 0.194 366 E C 1.751 178.431 176.600 0.133 0.000 1.013 366 E CA 0.621 57.145 56.400 0.206 0.000 0.866 366 E CB 0.169 29.980 29.700 0.185 0.000 0.832 366 E HN 0.435 nan 8.360 nan 0.000 0.500 367 A N 0.737 123.601 122.820 0.073 0.000 2.390 367 A HA 0.189 4.509 4.320 -0.000 0.000 0.232 367 A C -0.058 177.479 177.584 -0.078 0.000 1.233 367 A CA -0.144 51.898 52.037 0.009 0.000 0.907 367 A CB 0.148 19.153 19.000 0.008 0.000 0.967 367 A HN 0.059 nan 8.150 nan 0.000 0.512 368 N N -1.366 117.234 118.700 -0.166 0.000 2.242 368 N HA 0.441 5.181 4.740 -0.000 0.000 0.292 368 N C -1.214 173.900 175.510 -0.660 0.000 1.125 368 N CA -0.387 52.381 53.050 -0.470 0.000 0.783 368 N CB 1.661 39.699 38.487 -0.748 0.000 1.558 368 N HN -0.078 nan 8.380 nan 0.000 0.472 369 T N 1.600 115.814 114.554 -0.567 0.000 2.817 369 T HA 0.435 4.785 4.350 -0.000 0.000 0.293 369 T C -0.895 173.439 174.700 -0.610 0.000 0.964 369 T CA 0.075 61.903 62.100 -0.452 0.000 1.085 369 T CB -0.080 68.640 68.868 -0.246 0.000 0.921 369 T HN 0.189 nan 8.240 nan 0.000 0.502 370 F N 1.878 121.745 119.950 -0.138 0.000 2.508 370 F HA 0.505 5.032 4.527 -0.000 0.000 0.325 370 F C 0.324 176.014 175.800 -0.183 0.000 1.090 370 F CA -1.270 56.638 58.000 -0.154 0.000 0.945 370 F CB 1.620 40.531 39.000 -0.150 0.000 1.156 370 F HN 0.394 nan 8.300 nan 0.000 0.463 371 D N 2.181 122.566 120.400 -0.025 0.000 2.629 371 D HA 0.413 5.053 4.640 -0.000 0.000 0.250 371 D C -1.254 174.873 176.300 -0.288 0.000 1.126 371 D CA -0.370 53.553 54.000 -0.127 0.000 0.852 371 D CB 1.334 42.069 40.800 -0.108 0.000 1.335 371 D HN 0.232 nan 8.370 nan 0.000 0.518 372 L N 4.241 125.244 121.223 -0.367 0.000 2.657 372 L HA 0.435 4.775 4.340 -0.000 0.000 0.239 372 L C 1.469 178.006 176.870 -0.554 0.000 1.215 372 L CA -0.083 54.280 54.840 -0.796 0.000 1.161 372 L CB 0.043 41.797 42.059 -0.509 0.000 1.436 372 L HN 0.856 nan 8.230 nan 0.000 0.414 373 G N 0.636 109.218 108.800 -0.363 0.000 2.258 373 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.274 373 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.274 373 G C 1.081 176.013 174.900 0.053 0.000 1.021 373 G CA 0.597 45.713 45.100 0.027 0.000 0.798 373 G HN 1.197 nan 8.290 nan 0.000 0.507 374 G N -1.442 107.353 108.800 -0.008 0.000 2.160 374 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.251 374 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.251 374 G C 1.145 176.098 174.900 0.088 0.000 1.008 374 G CA 0.839 45.955 45.100 0.027 0.000 0.724 374 G HN 1.065 nan 8.290 nan 0.000 0.514 375 I N 0.927 121.564 120.570 0.112 0.000 2.406 375 I HA 0.001 4.171 4.170 -0.000 0.000 0.249 375 I C 2.134 178.435 176.117 0.306 0.000 1.122 375 I CA 1.494 62.921 61.300 0.211 0.000 1.431 375 I CB -0.387 37.766 38.000 0.254 0.000 1.087 375 I HN 0.488 nan 8.210 nan 0.000 0.424 376 T N -1.111 113.557 114.554 0.190 0.000 2.899 376 T HA 0.393 4.743 4.350 -0.000 0.000 0.295 376 T C 1.072 175.692 174.700 -0.132 0.000 1.033 376 T CA -0.171 61.962 62.100 0.055 0.000 1.084 376 T CB 1.886 70.680 68.868 -0.122 0.000 0.979 376 T HN 0.181 nan 8.240 nan 0.000 0.532 377 A N 0.891 123.482 122.820 -0.382 0.000 2.067 377 A HA 0.141 4.460 4.320 -0.000 0.000 0.219 377 A C 0.859 178.078 177.584 -0.608 0.000 1.158 377 A CA 0.992 52.607 52.037 -0.703 0.000 0.661 377 A CB -0.535 17.893 19.000 -0.954 0.000 0.801 377 A HN 0.910 nan 8.150 nan 0.000 0.452 378 D N -2.402 117.454 120.400 -0.907 0.000 2.599 378 D HA 0.376 5.016 4.640 -0.000 0.000 0.252 378 D C -0.249 175.597 176.300 -0.757 0.000 1.232 378 D CA 0.300 53.884 54.000 -0.693 0.000 0.819 378 D CB 1.275 41.775 40.800 -0.501 0.000 1.401 378 D HN 0.119 nan 8.370 nan 0.000 0.429 379 T N -0.613 113.707 114.554 -0.390 0.000 2.802 379 T HA 0.498 4.848 4.350 -0.000 0.000 0.305 379 T C 0.825 175.411 174.700 -0.190 0.000 1.053 379 T CA -0.399 61.545 62.100 -0.261 0.000 1.058 379 T CB 0.338 69.106 68.868 -0.166 0.000 0.988 379 T HN 0.284 nan 8.240 nan 0.000 0.539 380 I N 1.641 122.153 120.570 -0.096 0.000 2.354 380 I HA 0.456 4.626 4.170 -0.000 0.000 0.292 380 I C -0.349 175.666 176.117 -0.171 0.000 0.989 380 I CA -0.367 60.887 61.300 -0.077 0.000 1.188 380 I CB 1.423 39.420 38.000 -0.005 0.000 1.342 380 I HN 0.676 nan 8.210 nan 0.000 0.457 381 D N 5.540 125.756 120.400 -0.307 0.000 2.890 381 D HA 0.328 4.967 4.640 -0.000 0.000 0.233 381 D C -1.637 174.512 176.300 -0.252 0.000 1.306 381 D CA -0.377 53.486 54.000 -0.229 0.000 0.929 381 D CB 1.185 41.920 40.800 -0.108 0.000 1.512 381 D HN 0.132 nan 8.370 nan 0.000 0.568 382 Y N 1.045 121.424 120.300 0.132 0.000 2.352 382 Y HA 0.350 4.900 4.550 -0.000 0.000 0.339 382 Y C 0.662 176.673 175.900 0.186 0.000 0.992 382 Y CA -0.893 57.305 58.100 0.164 0.000 1.100 382 Y CB 1.548 40.127 38.460 0.199 0.000 1.192 382 Y HN 0.251 nan 8.280 nan 0.000 0.458 383 E N 5.045 125.475 120.200 0.383 0.000 2.227 383 E HA 0.374 4.723 4.350 -0.000 0.000 0.282 383 E C -2.699 174.093 176.600 0.319 0.000 1.015 383 E CA -2.428 54.146 56.400 0.290 0.000 0.823 383 E CB 1.077 30.931 29.700 0.258 0.000 1.081 383 E HN 0.265 nan 8.360 nan 0.000 0.396 384 P HA 0.045 nan 4.420 nan 0.000 0.263 384 P C 0.334 177.675 177.300 0.068 0.000 1.195 384 P CA 1.104 64.301 63.100 0.162 0.000 0.762 384 P CB 0.680 32.447 31.700 0.112 0.000 0.799 385 G N 2.176 110.937 108.800 -0.064 0.000 2.225 385 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.254 385 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.254 385 G C -0.041 174.860 174.900 0.001 0.000 0.988 385 G CA -0.178 44.880 45.100 -0.069 0.000 0.625 385 G HN 0.539 nan 8.290 nan 0.000 0.527 386 F N 1.532 121.358 119.950 -0.207 0.000 3.282 386 F HA 0.440 4.967 4.527 -0.000 0.000 0.398 386 F C 0.367 176.164 175.800 -0.006 0.000 1.205 386 F CA -0.975 56.947 58.000 -0.130 0.000 1.273 386 F CB 0.144 39.113 39.000 -0.051 0.000 2.153 386 F HN 0.178 nan 8.300 nan 0.000 0.680 387 H N 4.307 123.206 119.070 -0.286 0.000 2.989 387 H HA 0.183 4.739 4.556 -0.000 0.000 0.284 387 H C -0.058 175.184 175.328 -0.144 0.000 1.440 387 H CA -0.493 55.455 56.048 -0.168 0.000 1.209 387 H CB 0.240 29.662 29.762 -0.566 0.000 1.453 387 H HN 0.258 nan 8.280 nan 0.000 0.550 388 L N 1.145 122.247 121.223 -0.201 0.000 2.325 388 L HA 0.172 4.511 4.340 -0.000 0.000 0.284 388 L C 1.132 177.945 176.870 -0.095 0.000 1.089 388 L CA 0.039 54.735 54.840 -0.241 0.000 0.836 388 L CB 0.259 42.117 42.059 -0.336 0.000 1.184 388 L HN 0.287 nan 8.230 nan 0.000 0.444 389 A N 5.661 128.384 122.820 -0.162 0.000 1.898 389 A HA 0.075 4.395 4.320 -0.000 0.000 0.216 389 A C 0.219 177.781 177.584 -0.036 0.000 1.181 389 A CA 1.886 53.762 52.037 -0.268 0.000 0.620 389 A CB -0.412 18.465 19.000 -0.204 0.000 0.819 389 A HN 0.877 nan 8.150 nan 0.000 0.442 390 Y N -6.398 113.818 120.300 -0.139 0.000 2.852 390 Y HA 0.640 5.190 4.550 -0.000 0.000 0.350 390 Y C 0.373 176.211 175.900 -0.103 0.000 1.272 390 Y CA -1.093 56.933 58.100 -0.124 0.000 1.086 390 Y CB 0.380 38.749 38.460 -0.151 0.000 1.408 390 Y HN -0.164 nan 8.280 nan 0.000 0.447 391 R N 0.226 120.764 120.500 0.063 0.000 2.310 391 R HA 0.207 4.547 4.340 -0.000 0.000 0.199 391 R C -0.216 176.079 176.300 -0.009 0.000 0.891 391 R CA 0.023 56.105 56.100 -0.031 0.000 1.060 391 R CB 0.528 30.821 30.300 -0.012 0.000 1.188 391 R HN 0.686 nan 8.270 nan 0.000 0.607 392 K N 1.635 122.075 120.400 0.066 0.000 2.126 392 K HA 0.392 4.712 4.320 -0.000 0.000 0.257 392 K C 0.003 176.563 176.600 -0.066 0.000 1.007 392 K CA -0.577 55.692 56.287 -0.031 0.000 0.928 392 K CB 1.473 33.903 32.500 -0.117 0.000 1.013 392 K HN -0.114 nan 8.250 nan 0.000 0.473 393 V N -2.003 117.826 119.914 -0.142 0.000 3.130 393 V HA 0.563 4.683 4.120 -0.000 0.000 0.310 393 V C -0.938 175.007 176.094 -0.247 0.000 1.158 393 V CA -1.314 60.879 62.300 -0.178 0.000 1.029 393 V CB 0.980 32.779 31.823 -0.040 0.000 1.057 393 V HN 0.695 nan 8.190 nan 0.000 0.436 394 F N 1.969 121.919 119.950 0.000 0.000 2.375 394 F HA 0.680 5.207 4.527 -0.000 0.000 0.333 394 F C 0.370 176.158 175.800 -0.020 0.000 1.104 394 F CA -0.734 57.258 58.000 -0.013 0.000 1.149 394 F CB 1.054 40.041 39.000 -0.022 0.000 1.190 394 F HN 0.257 nan 8.300 nan 0.000 0.533 395 I N 3.950 124.603 120.570 0.138 0.000 2.433 395 I HA 0.386 4.556 4.170 -0.000 0.000 0.292 395 I C -0.558 175.485 176.117 -0.123 0.000 1.001 395 I CA -0.758 60.468 61.300 -0.123 0.000 1.119 395 I CB 1.599 39.222 38.000 -0.629 0.000 1.289 395 I HN 0.352 nan 8.210 nan 0.000 0.438 396 I N 5.572 126.063 120.570 -0.133 0.000 2.465 396 I HA 0.365 4.535 4.170 -0.000 0.000 0.291 396 I C 0.084 176.128 176.117 -0.121 0.000 1.014 396 I CA -0.471 60.762 61.300 -0.111 0.000 1.093 396 I CB 1.709 39.674 38.000 -0.058 0.000 1.267 396 I HN 0.412 nan 8.210 nan 0.000 0.431 397 K N 5.276 125.645 120.400 -0.052 0.000 2.159 397 K HA 0.502 4.822 4.320 -0.000 0.000 0.266 397 K C -0.938 175.637 176.600 -0.041 0.000 0.975 397 K CA -0.891 55.253 56.287 -0.239 0.000 0.865 397 K CB 1.262 33.669 32.500 -0.155 0.000 1.087 397 K HN 0.505 nan 8.250 nan 0.000 0.446 398 L N 4.795 125.991 121.223 -0.044 0.000 2.433 398 L HA 0.279 4.619 4.340 -0.000 0.000 0.284 398 L C 0.231 177.065 176.870 -0.060 0.000 1.120 398 L CA 0.453 55.346 54.840 0.089 0.000 0.879 398 L CB 0.050 42.240 42.059 0.219 0.000 1.232 398 L HN 0.741 nan 8.230 nan 0.000 0.454 399 G N 3.432 112.193 108.800 -0.064 0.000 2.636 399 G HA2 0.091 4.051 3.960 -0.000 0.000 0.246 399 G HA3 0.091 4.051 3.960 -0.000 0.000 0.246 399 G C 0.607 175.458 174.900 -0.082 0.000 1.216 399 G CA -0.403 44.663 45.100 -0.057 0.000 0.854 399 G HN 0.714 nan 8.290 nan 0.000 0.572 400 E N 0.856 121.061 120.200 0.008 0.000 2.160 400 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 400 E C 2.015 178.630 176.600 0.026 0.000 0.991 400 E CA 1.433 57.875 56.400 0.069 0.000 0.810 400 E CB -0.042 29.716 29.700 0.097 0.000 0.742 400 E HN 0.687 nan 8.360 nan 0.000 0.466 401 N N -0.132 118.531 118.700 -0.061 0.000 2.461 401 N HA -0.016 4.723 4.740 -0.000 0.000 0.188 401 N C 1.233 176.548 175.510 -0.324 0.000 1.134 401 N CA 1.006 54.005 53.050 -0.085 0.000 0.878 401 N CB 0.222 38.688 38.487 -0.034 0.000 0.972 401 N HN 0.171 nan 8.380 nan 0.000 0.456 402 G N -0.647 107.696 108.800 -0.762 0.000 2.176 402 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.253 402 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.253 402 G C -0.466 174.140 174.900 -0.489 0.000 0.979 402 G CA 0.189 44.501 45.100 -1.314 0.000 0.641 402 G HN 0.521 nan 8.290 nan 0.000 0.530 403 E N -0.176 119.873 120.200 -0.252 0.000 2.214 403 E HA 0.611 4.961 4.350 -0.000 0.000 0.274 403 E C 0.535 177.130 176.600 -0.008 0.000 0.977 403 E CA -0.878 55.468 56.400 -0.090 0.000 0.827 403 E CB 1.408 31.086 29.700 -0.036 0.000 1.130 403 E HN 0.253 nan 8.360 nan 0.000 0.394 404 L N 2.558 123.828 121.223 0.079 0.000 2.380 404 L HA 0.148 4.488 4.340 -0.000 0.000 0.273 404 L C 0.043 177.099 176.870 0.310 0.000 1.138 404 L CA 0.209 55.177 54.840 0.213 0.000 0.832 404 L CB 0.282 42.514 42.059 0.288 0.000 1.124 404 L HN 0.421 nan 8.230 nan 0.000 0.454 405 Q N 2.595 122.516 119.800 0.202 0.000 2.337 405 Q HA 0.442 4.781 4.340 -0.000 0.000 0.270 405 Q C -0.901 174.977 176.000 -0.204 0.000 1.043 405 Q CA -0.866 54.961 55.803 0.040 0.000 0.794 405 Q CB 3.095 31.849 28.738 0.027 0.000 1.281 405 Q HN 0.387 nan 8.270 nan 0.000 0.446 409 K N -0.161 119.978 120.400 -0.435 0.000 2.183 409 K HA 0.669 4.989 4.320 -0.000 0.000 0.274 409 K C -1.506 174.626 176.600 -0.779 0.000 1.009 409 K CA -0.195 55.800 56.287 -0.485 0.000 0.888 409 K CB 1.459 33.693 32.500 -0.444 0.000 1.078 409 K HN 0.266 nan 8.250 nan 0.000 0.459 410 F N 0.681 120.550 119.950 -0.134 0.000 2.599 410 F HA 0.385 4.912 4.527 -0.000 0.000 0.311 410 F C -0.114 175.639 175.800 -0.078 0.000 1.076 410 F CA -0.809 57.148 58.000 -0.072 0.000 0.937 410 F CB 2.333 41.323 39.000 -0.017 0.000 1.282 410 F HN 0.425 nan 8.300 nan 0.000 0.460 411 E N 1.052 121.332 120.200 0.132 0.000 2.331 411 E HA 0.715 5.064 4.350 -0.000 0.000 0.275 411 E C -1.275 175.354 176.600 0.048 0.000 0.895 411 E CA -0.974 55.454 56.400 0.047 0.000 0.753 411 E CB 2.178 31.875 29.700 -0.006 0.000 1.216 411 E HN 0.792 nan 8.360 nan 0.000 0.434 412 A N 4.162 126.993 122.820 0.019 0.000 2.466 412 A HA 0.353 4.673 4.320 -0.000 0.000 0.238 412 A C -2.246 175.336 177.584 -0.003 0.000 1.074 412 A CA -0.860 51.178 52.037 0.003 0.000 0.774 412 A CB -0.368 18.622 19.000 -0.016 0.000 1.015 412 A HN 0.396 nan 8.150 nan 0.000 0.498 413 P HA 0.036 nan 4.420 nan 0.000 0.264 413 P C 0.761 178.052 177.300 -0.014 0.000 1.179 413 P CA 0.322 63.418 63.100 -0.006 0.000 0.763 413 P CB 0.473 32.171 31.700 -0.002 0.000 0.806 414 S N 1.634 117.325 115.700 -0.015 0.000 2.400 414 S HA -0.214 4.256 4.470 -0.000 0.000 0.232 414 S C 1.569 176.154 174.600 -0.025 0.000 1.025 414 S CA 1.339 59.526 58.200 -0.021 0.000 0.993 414 S CB -0.493 62.695 63.200 -0.020 0.000 0.808 414 S HN 0.678 nan 8.310 nan 0.000 0.478 415 Q N 0.690 120.480 119.800 -0.016 0.000 2.432 415 Q HA 0.092 4.432 4.340 -0.000 0.000 0.205 415 Q C -0.028 175.969 176.000 -0.005 0.000 0.945 415 Q CA 0.488 56.286 55.803 -0.009 0.000 0.924 415 Q CB -0.249 28.491 28.738 0.004 0.000 1.016 415 Q HN 0.296 nan 8.270 nan 0.000 0.503 416 V N 3.091 122.993 119.914 -0.021 0.000 2.353 416 V HA 0.075 4.195 4.120 -0.000 0.000 0.264 416 V C -0.287 175.677 176.094 -0.217 0.000 1.049 416 V CA -0.418 61.860 62.300 -0.036 0.000 0.896 416 V CB 1.076 32.904 31.823 0.009 0.000 1.025 416 V HN 0.128 nan 8.190 nan 0.000 0.475 417 D N 3.784 123.904 120.400 -0.466 0.000 2.741 417 D HA 0.158 4.798 4.640 -0.000 0.000 0.233 417 D C 1.213 176.891 176.300 -1.037 0.000 1.160 417 D CA -0.184 53.465 54.000 -0.585 0.000 1.003 417 D CB 0.339 40.900 40.800 -0.398 0.000 1.064 417 D HN 0.667 nan 8.370 nan 0.000 0.503 418 C N 1.258 120.194 119.300 -0.606 0.000 2.398 418 C HA -0.190 4.270 4.460 -0.000 0.000 0.276 418 C C 2.737 177.616 174.990 -0.184 0.000 1.222 418 C CA 0.869 59.671 59.018 -0.360 0.000 1.746 418 C CB -1.144 26.522 27.740 -0.124 0.000 2.039 418 C HN 0.638 nan 8.230 nan 0.000 0.470 419 A N 0.926 123.694 122.820 -0.087 0.000 1.851 419 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 419 A C 2.300 179.942 177.584 0.096 0.000 1.195 419 A CA 1.724 53.792 52.037 0.053 0.000 0.622 419 A CB -0.628 18.467 19.000 0.158 0.000 0.831 419 A HN 0.668 nan 8.150 nan 0.000 0.444 420 R N -1.771 118.770 120.500 0.067 0.000 2.148 420 R HA -0.109 4.231 4.340 -0.000 0.000 0.227 420 R C 1.939 178.337 176.300 0.164 0.000 1.103 420 R CA 1.264 57.424 56.100 0.099 0.000 0.983 420 R CB -0.421 29.891 30.300 0.021 0.000 0.874 420 R HN 0.652 nan 8.270 nan 0.000 0.451 421 Y N 0.754 121.083 120.300 0.047 0.000 2.128 421 Y HA -0.194 4.356 4.550 -0.000 0.000 0.284 421 Y C 2.565 178.481 175.900 0.027 0.000 1.154 421 Y CA 1.116 59.230 58.100 0.023 0.000 1.149 421 Y CB -1.102 37.363 38.460 0.007 0.000 0.976 421 Y HN -0.003 nan 8.280 nan 0.000 0.505 422 T N 0.428 115.103 114.554 0.201 0.000 2.812 422 T HA -0.086 4.264 4.350 -0.000 0.000 0.264 422 T C 2.162 176.925 174.700 0.107 0.000 1.042 422 T CA 1.311 63.488 62.100 0.129 0.000 1.140 422 T CB -0.502 68.434 68.868 0.113 0.000 0.870 422 T HN 0.201 nan 8.240 nan 0.000 0.445 423 I N 1.168 121.806 120.570 0.114 0.000 2.208 423 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 423 I C 2.382 178.547 176.117 0.080 0.000 1.097 423 I CA 1.426 62.783 61.300 0.096 0.000 1.363 423 I CB -0.345 37.728 38.000 0.121 0.000 1.051 423 I HN 0.275 nan 8.210 nan 0.000 0.413 424 E N 0.404 120.659 120.200 0.091 0.000 2.482 424 E HA -0.073 4.277 4.350 -0.000 0.000 0.196 424 E C 0.347 176.978 176.600 0.052 0.000 1.047 424 E CA 0.006 56.447 56.400 0.069 0.000 0.869 424 E CB -0.024 29.723 29.700 0.079 0.000 0.836 424 E HN 0.432 nan 8.360 nan 0.000 0.520 425 E N 0.927 121.161 120.200 0.056 0.000 2.498 425 E HA 0.147 4.497 4.350 -0.000 0.000 0.252 425 E C 0.344 176.962 176.600 0.029 0.000 1.025 425 E CA 0.394 56.817 56.400 0.039 0.000 0.938 425 E CB 0.277 30.003 29.700 0.042 0.000 0.947 425 E HN 0.291 nan 8.360 nan 0.000 0.478 426 G N 0.000 108.812 108.800 0.020 0.000 5.446 426 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 426 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 426 G CA 0.000 45.110 45.100 0.016 0.000 0.502 426 G HN 0.000 nan 8.290 nan 0.000 0.925