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 1sp8_1_D DATA FIRST_RESID 34 DATA SEQUENCE FVRFNPRSDR FHTLAFHHVE LWCADAASAA GRFSFGLGAP LAARSDLSTG DATA SEQUENCE NSAHASLLLR SGSLSFLFTA PYAHGADAAT AALPSFSAAA ARRFAADHGL DATA SEQUENCE AVRAVALRVA DAEDAFRASV AAGARPAFGP VDLGRGFRLA EVELYGDVVL DATA SEQUENCE RYVSYPDGAA GEPFLPGFEG VASPGAADYG LSRFDHIVGN VPELAPAAAY DATA SEQUENCE FAGFTGFHEF AEFTTXXXXX XESGLNSMVL ANNSENVLLP LNEPVHGTKR DATA SEQUENCE RSQIQTFLDH HGGPGVQHMA LASDDVLRTL REMQARSAMG GFEFMAPPTS DATA SEQUENCE DYYDGVRRRA GDVLTEAQIK ECQELGVLVD RDDQGVLLQI FTKPVGDRPT DATA SEQUENCE LFLEIIQRIG CMEKDEKGQE YQKGGCGGFG KGNFSQLFKS IEDYEKSLE 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 34 F HA 0.000 nan 4.527 nan 0.000 0.279 34 F C 0.000 175.684 175.800 -0.194 0.000 0.967 34 F CA 0.000 57.918 58.000 -0.136 0.000 1.383 34 F CB 0.000 38.944 39.000 -0.094 0.000 1.145 35 V N 2.508 122.614 119.914 0.320 0.000 2.364 35 V HA 0.493 4.614 4.120 0.002 0.000 0.252 35 V C 0.197 176.261 176.094 -0.050 0.000 1.075 35 V CA -0.502 61.836 62.300 0.063 0.000 1.033 35 V CB -0.459 31.456 31.823 0.154 0.000 1.116 35 V HN 0.380 nan 8.190 nan 0.000 0.488 36 R N 4.279 124.681 120.500 -0.162 0.000 2.490 36 R HA 0.519 4.860 4.340 0.002 0.000 0.278 36 R C 0.193 176.432 176.300 -0.103 0.000 1.069 36 R CA -0.594 55.432 56.100 -0.123 0.000 1.080 36 R CB 0.934 31.101 30.300 -0.223 0.000 1.030 36 R HN 0.859 nan 8.270 nan 0.000 0.491 37 F N 0.619 120.530 119.950 -0.065 0.000 2.629 37 F HA 0.049 4.577 4.527 0.002 0.000 0.369 37 F C 0.164 175.900 175.800 -0.106 0.000 1.125 37 F CA -0.819 57.137 58.000 -0.073 0.000 1.330 37 F CB 0.248 39.206 39.000 -0.070 0.000 1.071 37 F HN 0.308 nan 8.300 nan 0.000 0.595 38 N N 4.951 123.540 118.700 -0.185 0.000 2.569 38 N HA 0.347 5.088 4.740 0.002 0.000 0.254 38 N C -2.071 173.267 175.510 -0.286 0.000 1.004 38 N CA -2.435 50.289 53.050 -0.544 0.000 0.904 38 N CB 1.117 39.350 38.487 -0.422 0.000 1.165 38 N HN 0.474 nan 8.380 nan 0.000 0.513 39 P HA 0.034 nan 4.420 nan 0.000 0.245 39 P C -0.686 176.558 177.300 -0.095 0.000 1.212 39 P CA 0.080 63.169 63.100 -0.018 0.000 0.774 39 P CB 0.043 31.830 31.700 0.144 0.000 0.999 40 R N 0.477 120.852 120.500 -0.208 0.000 3.109 40 R HA -0.108 4.233 4.340 0.002 0.000 0.241 40 R C 0.408 176.669 176.300 -0.065 0.000 0.882 40 R CA 0.691 56.714 56.100 -0.127 0.000 0.604 40 R CB -3.033 27.214 30.300 -0.089 0.000 1.040 40 R HN 0.409 nan 8.270 nan 0.000 0.480 41 S N -1.776 113.900 115.700 -0.041 0.000 2.582 41 S HA 0.064 4.535 4.470 0.002 0.000 0.234 41 S C 0.216 174.785 174.600 -0.051 0.000 0.961 41 S CA -0.717 57.466 58.200 -0.029 0.000 0.953 41 S CB 0.432 63.628 63.200 -0.007 0.000 0.800 41 S HN 0.247 nan 8.310 nan 0.000 0.471 42 D N 2.676 123.045 120.400 -0.052 0.000 2.506 42 D HA 0.081 4.722 4.640 0.002 0.000 0.234 42 D C 1.030 177.191 176.300 -0.232 0.000 1.143 42 D CA 0.217 54.125 54.000 -0.152 0.000 0.871 42 D CB 0.484 41.210 40.800 -0.122 0.000 1.190 42 D HN 0.275 nan 8.370 nan 0.000 0.459 43 R N 1.065 121.322 120.500 -0.406 0.000 2.297 43 R HA 0.122 4.463 4.340 0.002 0.000 0.197 43 R C -0.127 176.153 176.300 -0.033 0.000 0.943 43 R CA 0.306 56.296 56.100 -0.183 0.000 1.038 43 R CB -0.072 30.195 30.300 -0.054 0.000 0.957 43 R HN 0.447 nan 8.270 nan 0.000 0.484 44 F N -4.211 115.734 119.950 -0.008 0.000 2.678 44 F HA 0.293 4.821 4.527 0.002 0.000 0.308 44 F C -0.616 175.224 175.800 0.066 0.000 1.118 44 F CA -1.845 56.148 58.000 -0.012 0.000 0.959 44 F CB 0.474 39.410 39.000 -0.107 0.000 1.305 44 F HN -0.239 nan 8.300 nan 0.000 0.443 45 H N 1.232 120.380 119.070 0.130 0.000 3.082 45 H HA 0.363 4.920 4.556 0.002 0.000 0.275 45 H C -0.790 174.613 175.328 0.125 0.000 1.032 45 H CA 0.109 56.191 56.048 0.057 0.000 1.477 45 H CB 0.463 30.236 29.762 0.019 0.000 1.520 45 H HN 0.701 nan 8.280 nan 0.000 0.521 46 T N 8.499 123.070 114.554 0.028 0.000 2.853 46 T HA 0.117 4.468 4.350 0.002 0.000 0.317 46 T C 1.333 175.900 174.700 -0.222 0.000 1.059 46 T CA -0.639 61.456 62.100 -0.007 0.000 0.954 46 T CB 0.475 69.406 68.868 0.106 0.000 0.994 46 T HN 0.376 nan 8.240 nan 0.000 0.479 47 L N 2.437 123.482 121.223 -0.297 0.000 2.005 47 L HA 0.396 4.737 4.340 0.002 0.000 0.207 47 L C 1.326 178.111 176.870 -0.141 0.000 1.072 47 L CA 1.307 55.981 54.840 -0.276 0.000 0.744 47 L CB -0.670 41.241 42.059 -0.247 0.000 0.895 47 L HN 0.830 nan 8.230 nan 0.000 0.433 48 A N -3.461 119.305 122.820 -0.090 0.000 2.452 48 A HA 0.417 4.738 4.320 0.002 0.000 0.294 48 A C -1.357 176.232 177.584 0.008 0.000 1.010 48 A CA -0.899 51.102 52.037 -0.060 0.000 0.613 48 A CB -0.354 18.673 19.000 0.044 0.000 1.363 48 A HN -0.147 nan 8.150 nan 0.000 0.463 49 F N 1.437 121.428 119.950 0.069 0.000 2.518 49 F HA 0.312 4.840 4.527 0.002 0.000 0.359 49 F C 1.812 177.703 175.800 0.152 0.000 1.118 49 F CA 1.245 59.283 58.000 0.064 0.000 1.287 49 F CB 0.594 39.630 39.000 0.061 0.000 1.132 49 F HN 0.794 nan 8.300 nan 0.000 0.587 50 H N 2.405 121.636 119.070 0.268 0.000 2.426 50 H HA 0.107 4.664 4.556 0.002 0.000 0.286 50 H C -0.122 175.423 175.328 0.360 0.000 0.990 50 H CA 1.047 57.268 56.048 0.289 0.000 1.237 50 H CB 0.664 30.585 29.762 0.266 0.000 1.466 50 H HN 0.725 nan 8.280 nan 0.000 0.525 51 H N -1.904 117.307 119.070 0.234 0.000 2.904 51 H HA 0.377 4.934 4.556 0.002 0.000 0.290 51 H C -1.960 173.283 175.328 -0.142 0.000 1.437 51 H CA -0.645 55.461 56.048 0.097 0.000 1.147 51 H CB 0.981 30.861 29.762 0.196 0.000 1.824 51 H HN -0.021 nan 8.280 nan 0.000 0.505 52 V N 0.820 120.668 119.914 -0.110 0.000 2.709 52 V HA 0.309 4.430 4.120 0.002 0.000 0.308 52 V C -0.289 175.730 176.094 -0.125 0.000 1.062 52 V CA -0.634 61.481 62.300 -0.308 0.000 0.901 52 V CB 1.835 33.289 31.823 -0.615 0.000 1.003 52 V HN 0.800 nan 8.190 nan 0.000 0.425 53 E N 3.710 123.842 120.200 -0.113 0.000 2.210 53 E HA 0.673 5.024 4.350 0.002 0.000 0.266 53 E C -1.957 174.522 176.600 -0.203 0.000 0.883 53 E CA -0.726 55.597 56.400 -0.130 0.000 0.761 53 E CB 1.795 31.485 29.700 -0.018 0.000 1.156 53 E HN 0.511 nan 8.360 nan 0.000 0.412 54 L N 3.958 125.057 121.223 -0.207 0.000 2.313 54 L HA 0.410 4.751 4.340 0.002 0.000 0.283 54 L C -0.945 176.005 176.870 0.132 0.000 1.013 54 L CA -0.506 54.292 54.840 -0.070 0.000 0.816 54 L CB 0.880 42.877 42.059 -0.105 0.000 1.236 54 L HN 0.537 nan 8.230 nan 0.000 0.419 55 W N 3.469 124.681 121.300 -0.146 0.000 2.358 55 W HA 0.497 5.158 4.660 0.002 0.000 0.307 55 W C -0.291 176.291 176.519 0.106 0.000 1.203 55 W CA -1.128 56.143 57.345 -0.123 0.000 1.279 55 W CB 1.074 30.244 29.460 -0.483 0.000 1.264 55 W HN 0.494 nan 8.180 nan 0.000 0.474 56 C N 1.429 120.901 119.300 0.286 0.000 2.564 56 C HA 0.755 5.216 4.460 0.002 0.000 0.381 56 C C 1.652 176.742 174.990 0.166 0.000 1.297 56 C CA -0.252 58.916 59.018 0.250 0.000 1.846 56 C CB 1.015 28.889 27.740 0.223 0.000 2.198 56 C HN 0.717 nan 8.230 nan 0.000 0.507 57 A N -0.287 122.620 122.820 0.146 0.000 1.903 57 A HA 0.181 4.502 4.320 0.002 0.000 0.213 57 A C 0.312 177.929 177.584 0.054 0.000 1.185 57 A CA 1.645 53.738 52.037 0.093 0.000 0.628 57 A CB -0.280 18.776 19.000 0.094 0.000 0.830 57 A HN 0.923 nan 8.150 nan 0.000 0.446 58 D N -2.659 117.777 120.400 0.060 0.000 2.602 58 D HA 0.601 5.242 4.640 0.002 0.000 0.245 58 D C 0.534 176.851 176.300 0.029 0.000 1.325 58 D CA 0.272 54.288 54.000 0.027 0.000 0.952 58 D CB 1.452 42.270 40.800 0.029 0.000 1.317 58 D HN 0.093 nan 8.370 nan 0.000 0.577 59 A N 3.363 126.188 122.820 0.008 0.000 1.933 59 A HA 0.045 4.366 4.320 0.002 0.000 0.218 59 A C 2.188 179.745 177.584 -0.045 0.000 1.175 59 A CA 1.834 53.886 52.037 0.026 0.000 0.628 59 A CB -0.693 18.322 19.000 0.025 0.000 0.814 59 A HN 0.658 nan 8.150 nan 0.000 0.444 60 A N -0.435 122.363 122.820 -0.037 0.000 1.883 60 A HA -0.113 4.208 4.320 0.002 0.000 0.217 60 A C 2.467 180.017 177.584 -0.057 0.000 1.186 60 A CA 2.227 54.238 52.037 -0.042 0.000 0.624 60 A CB -0.938 18.056 19.000 -0.010 0.000 0.822 60 A HN 0.465 nan 8.150 nan 0.000 0.444 61 S N -0.260 115.424 115.700 -0.027 0.000 2.356 61 S HA -0.011 4.460 4.470 0.002 0.000 0.223 61 S C 2.323 176.897 174.600 -0.043 0.000 1.032 61 S CA 1.222 59.419 58.200 -0.006 0.000 1.005 61 S CB -0.485 62.733 63.200 0.029 0.000 0.867 61 S HN 0.803 nan 8.310 nan 0.000 0.449 62 A N 1.617 124.381 122.820 -0.093 0.000 1.873 62 A HA 0.188 4.509 4.320 0.002 0.000 0.215 62 A C 2.372 179.552 177.584 -0.673 0.000 1.186 62 A CA 1.630 53.552 52.037 -0.192 0.000 0.616 62 A CB -1.169 17.788 19.000 -0.071 0.000 0.823 62 A HN 0.503 nan 8.150 nan 0.000 0.442 63 A N -0.459 121.794 122.820 -0.946 0.000 1.902 63 A HA 0.129 4.450 4.320 0.002 0.000 0.217 63 A C 2.398 179.748 177.584 -0.390 0.000 1.181 63 A CA 1.945 53.358 52.037 -1.039 0.000 0.623 63 A CB -1.384 17.305 19.000 -0.518 0.000 0.818 63 A HN 0.716 nan 8.150 nan 0.000 0.443 64 G N -0.661 108.023 108.800 -0.195 0.000 2.421 64 G HA2 -0.261 3.700 3.960 0.002 0.000 0.216 64 G HA3 -0.261 3.700 3.960 0.002 0.000 0.216 64 G C 1.776 176.674 174.900 -0.002 0.000 1.171 64 G CA 1.047 46.139 45.100 -0.013 0.000 0.775 64 G HN 0.543 nan 8.290 nan 0.000 0.543 65 R N -0.602 119.829 120.500 -0.115 0.000 2.066 65 R HA 0.017 4.358 4.340 0.002 0.000 0.232 65 R C 2.391 178.213 176.300 -0.797 0.000 1.131 65 R CA 1.161 56.936 56.100 -0.542 0.000 0.955 65 R CB -0.426 29.692 30.300 -0.304 0.000 0.851 65 R HN 0.399 nan 8.270 nan 0.000 0.432 66 F N 0.214 119.906 119.950 -0.431 0.000 2.202 66 F HA -0.232 4.296 4.527 0.002 0.000 0.301 66 F C 2.903 178.549 175.800 -0.257 0.000 1.082 66 F CA 1.474 59.365 58.000 -0.182 0.000 1.313 66 F CB -0.283 38.664 39.000 -0.090 0.000 1.024 66 F HN 0.148 nan 8.300 nan 0.000 0.495 67 S N 0.495 116.135 115.700 -0.101 0.000 2.348 67 S HA -0.233 4.238 4.470 0.002 0.000 0.221 67 S C 1.975 176.528 174.600 -0.079 0.000 1.033 67 S CA 1.932 60.092 58.200 -0.067 0.000 1.010 67 S CB -0.608 62.591 63.200 -0.002 0.000 0.891 67 S HN 0.446 nan 8.310 nan 0.000 0.442 68 F N 0.579 120.487 119.950 -0.070 0.000 2.416 68 F HA 0.433 4.961 4.527 0.002 0.000 0.296 68 F C 2.153 177.980 175.800 0.045 0.000 1.099 68 F CA 0.522 58.509 58.000 -0.021 0.000 1.427 68 F CB -1.076 37.919 39.000 -0.009 0.000 1.079 68 F HN 0.185 nan 8.300 nan 0.000 0.536 69 G N 0.755 109.178 108.800 -0.628 0.000 2.484 69 G HA2 -0.045 3.916 3.960 0.002 0.000 0.218 69 G HA3 -0.045 3.916 3.960 0.002 0.000 0.218 69 G C 1.228 176.227 174.900 0.165 0.000 1.130 69 G CA 0.752 45.592 45.100 -0.434 0.000 0.784 69 G HN 0.353 nan 8.290 nan 0.000 0.543 70 L N -0.731 120.528 121.223 0.061 0.000 2.672 70 L HA 0.408 4.749 4.340 0.002 0.000 0.236 70 L C 1.600 178.275 176.870 -0.325 0.000 1.092 70 L CA 0.765 55.625 54.840 0.033 0.000 0.887 70 L CB 0.297 42.317 42.059 -0.064 0.000 1.168 70 L HN 0.309 nan 8.230 nan 0.000 0.502 71 G N 0.668 108.950 108.800 -0.863 0.000 2.341 71 G HA2 -0.026 3.935 3.960 0.002 0.000 0.278 71 G HA3 -0.026 3.935 3.960 0.002 0.000 0.278 71 G C 0.205 174.768 174.900 -0.562 0.000 1.111 71 G CA 0.192 44.339 45.100 -1.588 0.000 0.982 71 G HN 0.641 nan 8.290 nan 0.000 0.502 72 A N 0.601 123.240 122.820 -0.301 0.000 2.709 72 A HA 0.804 5.125 4.320 0.002 0.000 0.332 72 A C -1.855 175.690 177.584 -0.065 0.000 1.241 72 A CA -1.370 50.590 52.037 -0.129 0.000 0.782 72 A CB 1.535 20.501 19.000 -0.057 0.000 1.109 72 A HN 0.196 nan 8.150 nan 0.000 0.472 73 P HA 0.124 nan 4.420 nan 0.000 0.268 73 P C 0.069 177.372 177.300 0.006 0.000 1.208 73 P CA -0.291 62.798 63.100 -0.017 0.000 0.777 73 P CB 0.494 32.188 31.700 -0.011 0.000 0.875 74 L N 1.982 123.214 121.223 0.015 0.000 2.453 74 L HA 0.314 4.655 4.340 0.002 0.000 0.272 74 L C 0.854 177.738 176.870 0.023 0.000 1.182 74 L CA 0.705 55.560 54.840 0.025 0.000 0.858 74 L CB -0.054 42.021 42.059 0.027 0.000 1.120 74 L HN 0.528 nan 8.230 nan 0.000 0.474 75 A N 3.884 126.716 122.820 0.021 0.000 2.242 75 A HA 0.842 5.163 4.320 0.002 0.000 0.205 75 A C 0.395 178.006 177.584 0.044 0.000 1.353 75 A CA 0.547 52.598 52.037 0.022 0.000 1.005 75 A CB 0.047 19.050 19.000 0.004 0.000 1.127 75 A HN 1.027 nan 8.150 nan 0.000 0.498 76 A N -0.059 122.797 122.820 0.059 0.000 2.612 76 A HA 0.777 5.098 4.320 0.002 0.000 0.293 76 A C -0.795 176.928 177.584 0.231 0.000 1.075 76 A CA -0.323 51.808 52.037 0.156 0.000 0.680 76 A CB 1.046 20.157 19.000 0.185 0.000 1.279 76 A HN 0.956 nan 8.150 nan 0.000 0.411 77 R N -0.670 119.996 120.500 0.276 0.000 2.663 77 R HA 0.809 5.150 4.340 0.002 0.000 0.267 77 R C -1.391 174.797 176.300 -0.186 0.000 1.038 77 R CA -0.120 56.053 56.100 0.121 0.000 0.886 77 R CB 1.503 31.827 30.300 0.040 0.000 1.249 77 R HN 1.286 nan 8.270 nan 0.000 0.463 78 S N 1.077 116.531 115.700 -0.411 0.000 2.706 78 S HA 0.522 4.993 4.470 0.002 0.000 0.270 78 S C -1.806 172.573 174.600 -0.368 0.000 1.163 78 S CA -0.272 57.570 58.200 -0.596 0.000 1.042 78 S CB 0.802 63.248 63.200 -1.256 0.000 1.079 78 S HN 0.840 nan 8.310 nan 0.000 0.474 79 D N 2.895 123.162 120.400 -0.221 0.000 2.970 79 D HA 0.216 4.857 4.640 0.002 0.000 0.344 79 D C 0.960 177.239 176.300 -0.035 0.000 1.365 79 D CA -0.825 53.142 54.000 -0.056 0.000 0.910 79 D CB -0.359 40.459 40.800 0.030 0.000 1.445 79 D HN 0.368 nan 8.370 nan 0.000 0.532 80 L N 0.100 121.338 121.223 0.024 0.000 2.081 80 L HA -0.192 4.149 4.340 0.002 0.000 0.212 80 L C 2.301 179.113 176.870 -0.096 0.000 1.080 80 L CA 2.241 57.000 54.840 -0.134 0.000 0.754 80 L CB -0.556 41.358 42.059 -0.241 0.000 0.893 80 L HN 0.606 nan 8.230 nan 0.000 0.433 81 S N -1.905 113.760 115.700 -0.058 0.000 2.481 81 S HA -0.118 4.353 4.470 0.002 0.000 0.231 81 S C 1.624 176.185 174.600 -0.064 0.000 0.996 81 S CA 1.099 59.267 58.200 -0.053 0.000 0.942 81 S CB -0.509 62.672 63.200 -0.032 0.000 0.768 81 S HN 0.570 nan 8.310 nan 0.000 0.520 82 T N -3.693 110.809 114.554 -0.087 0.000 3.129 82 T HA 0.579 4.930 4.350 0.002 0.000 0.267 82 T C 1.349 175.984 174.700 -0.109 0.000 1.018 82 T CA 0.422 62.464 62.100 -0.098 0.000 0.903 82 T CB 0.085 68.875 68.868 -0.131 0.000 1.067 82 T HN 1.120 nan 8.240 nan 0.000 0.549 83 G N 1.661 110.397 108.800 -0.108 0.000 2.175 83 G HA2 -0.246 3.715 3.960 0.002 0.000 0.244 83 G HA3 -0.246 3.715 3.960 0.002 0.000 0.244 83 G C -0.084 174.738 174.900 -0.130 0.000 0.982 83 G CA -0.132 44.904 45.100 -0.107 0.000 0.641 83 G HN 0.769 nan 8.290 nan 0.000 0.527 84 N N 0.820 119.421 118.700 -0.166 0.000 2.414 84 N HA 0.483 5.224 4.740 0.002 0.000 0.256 84 N C 1.097 176.523 175.510 -0.140 0.000 1.029 84 N CA 0.381 53.305 53.050 -0.209 0.000 0.948 84 N CB 1.333 39.594 38.487 -0.377 0.000 1.102 84 N HN 0.435 nan 8.380 nan 0.000 0.496 85 S N 2.066 117.691 115.700 -0.125 0.000 2.593 85 S HA 0.314 4.785 4.470 0.002 0.000 0.236 85 S C 1.046 175.664 174.600 0.030 0.000 0.991 85 S CA 0.118 58.221 58.200 -0.162 0.000 0.963 85 S CB 0.216 63.309 63.200 -0.179 0.000 0.865 85 S HN 0.492 nan 8.310 nan 0.000 0.488 86 A N 1.408 124.268 122.820 0.067 0.000 1.942 86 A HA 0.434 4.755 4.320 0.002 0.000 0.209 86 A C 0.687 178.328 177.584 0.095 0.000 1.214 86 A CA 0.734 52.845 52.037 0.124 0.000 0.686 86 A CB -0.318 18.737 19.000 0.092 0.000 0.871 86 A HN 0.917 nan 8.150 nan 0.000 0.460 87 H N -3.449 115.501 119.070 -0.200 0.000 2.996 87 H HA 0.761 5.318 4.556 0.002 0.000 0.368 87 H C -0.823 174.147 175.328 -0.598 0.000 1.185 87 H CA -0.530 55.107 56.048 -0.685 0.000 1.160 87 H CB 1.137 30.082 29.762 -1.361 0.000 1.820 87 H HN 0.212 nan 8.280 nan 0.000 0.547 88 A N 2.211 124.615 122.820 -0.693 0.000 2.260 88 A HA 0.624 4.945 4.320 0.002 0.000 0.308 88 A C -0.587 176.915 177.584 -0.138 0.000 1.254 88 A CA -0.520 51.264 52.037 -0.422 0.000 0.874 88 A CB 0.412 19.108 19.000 -0.508 0.000 1.153 88 A HN 0.643 nan 8.150 nan 0.000 0.527 89 S N 1.610 117.295 115.700 -0.025 0.000 2.532 89 S HA 0.683 5.154 4.470 0.002 0.000 0.299 89 S C -0.841 173.854 174.600 0.158 0.000 1.105 89 S CA -0.379 57.897 58.200 0.127 0.000 1.018 89 S CB 0.958 64.340 63.200 0.303 0.000 1.021 89 S HN 0.593 nan 8.310 nan 0.000 0.483 90 L N 3.497 124.838 121.223 0.198 0.000 2.385 90 L HA 0.585 4.926 4.340 0.002 0.000 0.273 90 L C -1.040 175.945 176.870 0.192 0.000 0.990 90 L CA -0.747 54.199 54.840 0.177 0.000 0.821 90 L CB 1.601 43.730 42.059 0.116 0.000 1.279 90 L HN 0.323 nan 8.230 nan 0.000 0.412 91 L N 5.239 126.510 121.223 0.081 0.000 2.294 91 L HA 0.542 4.883 4.340 0.002 0.000 0.283 91 L C -0.770 176.098 176.870 -0.003 0.000 1.015 91 L CA -0.306 54.474 54.840 -0.100 0.000 0.831 91 L CB 1.407 43.180 42.059 -0.476 0.000 1.217 91 L HN 0.585 nan 8.230 nan 0.000 0.420 92 L N 5.349 126.643 121.223 0.117 0.000 2.357 92 L HA 0.580 4.921 4.340 0.002 0.000 0.273 92 L C 0.048 176.972 176.870 0.090 0.000 1.080 92 L CA -0.552 54.367 54.840 0.132 0.000 0.803 92 L CB 1.704 43.908 42.059 0.242 0.000 1.174 92 L HN 0.599 nan 8.230 nan 0.000 0.443 93 R N 1.081 121.608 120.500 0.045 0.000 2.651 93 R HA 0.529 4.870 4.340 0.002 0.000 0.278 93 R C -1.488 174.815 176.300 0.005 0.000 1.010 93 R CA -0.337 55.777 56.100 0.023 0.000 0.896 93 R CB 2.184 32.481 30.300 -0.005 0.000 1.211 93 R HN 0.601 nan 8.270 nan 0.000 0.456 94 S N 2.426 118.122 115.700 -0.006 0.000 2.750 94 S HA 0.546 5.017 4.470 0.002 0.000 0.276 94 S C 0.161 174.747 174.600 -0.024 0.000 1.165 94 S CA 0.508 58.693 58.200 -0.025 0.000 1.047 94 S CB 0.966 64.140 63.200 -0.044 0.000 1.056 94 S HN 1.105 nan 8.310 nan 0.000 0.481 95 G N 4.272 113.068 108.800 -0.007 0.000 2.591 95 G HA2 -0.278 3.683 3.960 0.002 0.000 0.298 95 G HA3 -0.278 3.683 3.960 0.002 0.000 0.298 95 G C 0.912 175.813 174.900 0.001 0.000 1.195 95 G CA 0.519 45.619 45.100 0.001 0.000 0.989 95 G HN 1.202 nan 8.290 nan 0.000 0.551 96 S N 0.353 116.051 115.700 -0.004 0.000 2.575 96 S HA 0.353 4.824 4.470 0.002 0.000 0.215 96 S C 1.105 175.683 174.600 -0.036 0.000 0.966 96 S CA -0.106 58.100 58.200 0.010 0.000 0.911 96 S CB -0.017 63.212 63.200 0.048 0.000 0.780 96 S HN 0.460 nan 8.310 nan 0.000 0.514 97 L N 2.647 123.795 121.223 -0.125 0.000 2.410 97 L HA 0.196 4.537 4.340 0.002 0.000 0.273 97 L C -0.346 176.449 176.870 -0.125 0.000 1.144 97 L CA 0.128 54.785 54.840 -0.306 0.000 0.863 97 L CB 0.763 42.635 42.059 -0.311 0.000 1.140 97 L HN 0.071 nan 8.230 nan 0.000 0.463 98 S N 4.076 119.721 115.700 -0.093 0.000 2.659 98 S HA 0.533 5.004 4.470 0.002 0.000 0.312 98 S C -0.853 173.719 174.600 -0.047 0.000 1.114 98 S CA -0.455 57.733 58.200 -0.021 0.000 1.063 98 S CB 0.939 64.114 63.200 -0.042 0.000 0.996 98 S HN 0.232 nan 8.310 nan 0.000 0.478 99 F N 2.684 122.598 119.950 -0.059 0.000 2.426 99 F HA 0.562 5.090 4.527 0.002 0.000 0.348 99 F C -0.297 175.327 175.800 -0.293 0.000 1.124 99 F CA -0.852 57.065 58.000 -0.138 0.000 1.008 99 F CB 1.315 40.270 39.000 -0.075 0.000 1.139 99 F HN 0.361 nan 8.300 nan 0.000 0.452 100 L N 5.309 126.355 121.223 -0.294 0.000 2.313 100 L HA 0.619 4.960 4.340 0.002 0.000 0.283 100 L C -1.609 175.054 176.870 -0.346 0.000 1.013 100 L CA -0.398 54.282 54.840 -0.265 0.000 0.816 100 L CB 0.387 42.275 42.059 -0.285 0.000 1.236 100 L HN 0.326 nan 8.230 nan 0.000 0.419 101 F N 3.036 122.995 119.950 0.014 0.000 2.444 101 F HA 0.659 5.187 4.527 0.002 0.000 0.342 101 F C 0.328 176.151 175.800 0.038 0.000 1.121 101 F CA -0.432 57.581 58.000 0.021 0.000 0.997 101 F CB 2.115 41.100 39.000 -0.024 0.000 1.130 101 F HN 0.360 nan 8.300 nan 0.000 0.454 102 T N 2.617 117.291 114.554 0.201 0.000 2.881 102 T HA 0.812 5.163 4.350 0.002 0.000 0.290 102 T C -0.907 173.783 174.700 -0.017 0.000 1.000 102 T CA -0.745 61.393 62.100 0.063 0.000 0.978 102 T CB 1.674 70.567 68.868 0.043 0.000 0.997 102 T HN 0.718 nan 8.240 nan 0.000 0.443 103 A N 4.320 127.051 122.820 -0.149 0.000 2.435 103 A HA 0.945 5.266 4.320 0.002 0.000 0.304 103 A C -2.947 174.464 177.584 -0.289 0.000 1.064 103 A CA -2.002 49.939 52.037 -0.160 0.000 0.727 103 A CB 1.541 20.475 19.000 -0.110 0.000 1.284 103 A HN 0.532 nan 8.150 nan 0.000 0.415 104 P HA 0.328 nan 4.420 nan 0.000 0.284 104 P C -1.107 176.117 177.300 -0.127 0.000 1.253 104 P CA 0.057 63.143 63.100 -0.022 0.000 0.800 104 P CB 0.581 32.388 31.700 0.178 0.000 0.961 105 Y N 0.674 120.960 120.300 -0.023 0.000 2.298 105 Y HA 0.322 4.873 4.550 0.002 0.000 0.329 105 Y C 1.841 177.681 175.900 -0.100 0.000 1.293 105 Y CA -0.479 57.585 58.100 -0.060 0.000 1.388 105 Y CB 0.854 39.275 38.460 -0.066 0.000 1.309 105 Y HN 0.429 nan 8.280 nan 0.000 0.544 106 A N 0.146 122.958 122.820 -0.013 0.000 1.963 106 A HA 0.146 4.467 4.320 0.002 0.000 0.207 106 A C 0.030 177.277 177.584 -0.562 0.000 1.243 106 A CA 0.395 52.214 52.037 -0.364 0.000 0.728 106 A CB 0.091 18.729 19.000 -0.602 0.000 0.895 106 A HN 0.701 nan 8.150 nan 0.000 0.467 107 H N -2.132 116.969 119.070 0.053 0.000 2.679 107 H HA 0.467 5.024 4.556 0.002 0.000 0.367 107 H C 0.946 176.268 175.328 -0.011 0.000 1.162 107 H CA -0.315 55.744 56.048 0.018 0.000 1.181 107 H CB 1.219 30.985 29.762 0.007 0.000 1.693 107 H HN 0.579 nan 8.280 nan 0.000 0.538 108 G N 0.751 109.612 108.800 0.101 0.000 2.168 108 G HA2 -0.263 3.698 3.960 0.002 0.000 0.257 108 G HA3 -0.263 3.698 3.960 0.002 0.000 0.257 108 G C 0.397 175.294 174.900 -0.006 0.000 0.997 108 G CA 0.255 45.370 45.100 0.025 0.000 0.708 108 G HN 0.894 nan 8.290 nan 0.000 0.520 109 A N 0.372 123.203 122.820 0.018 0.000 2.395 109 A HA 0.512 4.833 4.320 0.002 0.000 0.286 109 A C 0.316 177.918 177.584 0.030 0.000 1.193 109 A CA 0.339 52.393 52.037 0.029 0.000 0.852 109 A CB 0.399 19.444 19.000 0.074 0.000 1.118 109 A HN 0.371 nan 8.150 nan 0.000 0.524 110 D N 3.519 123.926 120.400 0.012 0.000 2.441 110 D HA 0.434 5.075 4.640 0.002 0.000 0.221 110 D C 1.251 177.571 176.300 0.034 0.000 1.156 110 D CA 0.352 54.361 54.000 0.015 0.000 0.896 110 D CB 0.927 41.724 40.800 -0.006 0.000 1.028 110 D HN 0.475 nan 8.370 nan 0.000 0.509 111 A N 3.894 126.750 122.820 0.060 0.000 1.997 111 A HA -0.199 4.122 4.320 0.002 0.000 0.221 111 A C 2.071 179.704 177.584 0.082 0.000 1.172 111 A CA 2.004 54.097 52.037 0.093 0.000 0.645 111 A CB -0.483 18.571 19.000 0.089 0.000 0.813 111 A HN 0.635 nan 8.150 nan 0.000 0.454 112 A N -0.598 122.253 122.820 0.052 0.000 2.172 112 A HA 0.033 4.354 4.320 0.002 0.000 0.216 112 A C 2.128 179.727 177.584 0.025 0.000 1.154 112 A CA 1.927 53.991 52.037 0.045 0.000 0.701 112 A CB -1.024 17.995 19.000 0.032 0.000 0.789 112 A HN 0.831 nan 8.150 nan 0.000 0.465 113 T N -2.553 112.003 114.554 0.003 0.000 3.129 113 T HA 0.477 4.828 4.350 0.002 0.000 0.251 113 T C 0.802 175.457 174.700 -0.076 0.000 1.117 113 T CA 0.356 62.431 62.100 -0.040 0.000 1.034 113 T CB -0.508 68.319 68.868 -0.068 0.000 0.968 113 T HN 0.611 nan 8.240 nan 0.000 0.526 114 A N 0.918 123.730 122.820 -0.014 0.000 2.548 114 A HA 0.646 4.967 4.320 0.002 0.000 0.247 114 A C 1.749 179.375 177.584 0.070 0.000 1.067 114 A CA 0.168 52.219 52.037 0.023 0.000 0.757 114 A CB -0.227 18.921 19.000 0.246 0.000 0.996 114 A HN 0.613 nan 8.150 nan 0.000 0.504 115 A N 2.957 125.808 122.820 0.052 0.000 2.067 115 A HA 0.250 4.571 4.320 0.002 0.000 0.217 115 A C 0.770 178.495 177.584 0.235 0.000 1.156 115 A CA 0.679 52.766 52.037 0.083 0.000 0.683 115 A CB -0.167 18.766 19.000 -0.112 0.000 0.808 115 A HN 0.721 nan 8.150 nan 0.000 0.455 116 L N 0.928 122.348 121.223 0.328 0.000 2.301 116 L HA 0.278 4.619 4.340 0.002 0.000 0.278 116 L C -1.552 175.367 176.870 0.082 0.000 1.022 116 L CA -1.816 53.123 54.840 0.166 0.000 0.854 116 L CB 1.909 44.033 42.059 0.108 0.000 1.226 116 L HN 0.104 nan 8.230 nan 0.000 0.429 117 P HA -0.136 nan 4.420 nan 0.000 0.225 117 P C 1.107 178.122 177.300 -0.475 0.000 1.148 117 P CA 0.853 63.926 63.100 -0.045 0.000 0.779 117 P CB 0.312 32.101 31.700 0.150 0.000 0.780 118 S N -1.645 113.557 115.700 -0.829 0.000 2.522 118 S HA -0.032 4.439 4.470 0.002 0.000 0.227 118 S C 0.640 175.085 174.600 -0.259 0.000 0.986 118 S CA -0.542 56.978 58.200 -1.134 0.000 0.929 118 S CB -1.260 61.378 63.200 -0.936 0.000 0.769 118 S HN 0.006 nan 8.310 nan 0.000 0.529 119 F N 3.425 123.266 119.950 -0.182 0.000 2.602 119 F HA 0.419 4.947 4.527 0.002 0.000 0.367 119 F C 0.386 176.143 175.800 -0.072 0.000 1.126 119 F CA 0.101 58.067 58.000 -0.057 0.000 1.321 119 F CB 0.702 39.576 39.000 -0.210 0.000 1.094 119 F HN 0.115 nan 8.300 nan 0.000 0.594 120 S N 5.066 120.046 115.700 -1.201 0.000 2.779 120 S HA 0.603 5.074 4.470 0.002 0.000 0.293 120 S C 0.433 174.229 174.600 -1.339 0.000 1.150 120 S CA -0.257 57.419 58.200 -0.874 0.000 1.057 120 S CB 0.927 63.923 63.200 -0.341 0.000 1.021 120 S HN 1.081 nan 8.310 nan 0.000 0.485 121 A N 4.995 127.282 122.820 -0.889 0.000 1.892 121 A HA 0.046 4.367 4.320 0.002 0.000 0.218 121 A C 2.329 179.684 177.584 -0.381 0.000 1.188 121 A CA 2.251 53.983 52.037 -0.508 0.000 0.631 121 A CB -1.352 17.593 19.000 -0.091 0.000 0.822 121 A HN 1.367 nan 8.150 nan 0.000 0.447 122 A N -0.382 122.278 122.820 -0.267 0.000 1.877 122 A HA 0.169 4.490 4.320 0.002 0.000 0.216 122 A C 2.545 180.038 177.584 -0.151 0.000 1.186 122 A CA 2.236 54.179 52.037 -0.156 0.000 0.620 122 A CB -1.108 17.836 19.000 -0.092 0.000 0.822 122 A HN 1.142 nan 8.150 nan 0.000 0.443 123 A N -0.128 122.579 122.820 -0.189 0.000 1.902 123 A HA 0.142 4.463 4.320 0.002 0.000 0.217 123 A C 2.517 180.086 177.584 -0.026 0.000 1.181 123 A CA 2.195 54.218 52.037 -0.023 0.000 0.623 123 A CB -1.063 18.005 19.000 0.112 0.000 0.818 123 A HN 1.078 nan 8.150 nan 0.000 0.443 124 A N -0.160 122.312 122.820 -0.580 0.000 1.883 124 A HA -0.192 4.129 4.320 0.002 0.000 0.217 124 A C 2.259 179.782 177.584 -0.102 0.000 1.186 124 A CA 1.622 53.261 52.037 -0.664 0.000 0.624 124 A CB -0.497 17.795 19.000 -1.179 0.000 0.822 124 A HN 0.560 nan 8.150 nan 0.000 0.444 125 R N -1.088 119.343 120.500 -0.114 0.000 2.081 125 R HA -0.127 4.214 4.340 0.002 0.000 0.235 125 R C 2.558 178.881 176.300 0.038 0.000 1.131 125 R CA 1.561 57.650 56.100 -0.019 0.000 0.960 125 R CB -0.336 29.938 30.300 -0.042 0.000 0.856 125 R HN 0.605 nan 8.270 nan 0.000 0.436 126 R N 0.229 120.754 120.500 0.041 0.000 2.073 126 R HA -0.169 4.172 4.340 0.002 0.000 0.234 126 R C 2.099 178.441 176.300 0.071 0.000 1.134 126 R CA 1.526 57.650 56.100 0.040 0.000 0.952 126 R CB -0.366 29.959 30.300 0.041 0.000 0.850 126 R HN 0.140 nan 8.270 nan 0.000 0.433 127 F N 1.155 121.134 119.950 0.049 0.000 2.095 127 F HA -0.210 4.319 4.527 0.002 0.000 0.298 127 F C 2.201 178.038 175.800 0.061 0.000 1.104 127 F CA 1.852 59.922 58.000 0.116 0.000 1.232 127 F CB -0.563 38.692 39.000 0.424 0.000 0.987 127 F HN 0.159 nan 8.300 nan 0.000 0.475 128 A N 0.180 123.226 122.820 0.377 0.000 1.883 128 A HA -0.119 4.202 4.320 0.002 0.000 0.217 128 A C 2.379 180.000 177.584 0.062 0.000 1.186 128 A CA 2.051 54.237 52.037 0.248 0.000 0.624 128 A CB -1.593 17.529 19.000 0.203 0.000 0.822 128 A HN 0.516 nan 8.150 nan 0.000 0.444 129 A N -0.614 122.208 122.820 0.002 0.000 1.929 129 A HA -0.127 4.194 4.320 0.002 0.000 0.216 129 A C 1.904 179.398 177.584 -0.150 0.000 1.176 129 A CA 1.900 53.908 52.037 -0.049 0.000 0.628 129 A CB -0.540 18.436 19.000 -0.039 0.000 0.816 129 A HN 0.482 nan 8.150 nan 0.000 0.444 130 D N -0.932 119.293 120.400 -0.292 0.000 2.097 130 D HA -0.153 4.488 4.640 0.002 0.000 0.195 130 D C 1.412 177.309 176.300 -0.672 0.000 0.989 130 D CA 1.440 55.101 54.000 -0.566 0.000 0.827 130 D CB -0.132 40.129 40.800 -0.900 0.000 0.966 130 D HN 0.622 nan 8.370 nan 0.000 0.456 131 H N -1.572 117.289 119.070 -0.350 0.000 2.986 131 H HA 0.401 4.958 4.556 0.002 0.000 0.267 131 H C 1.495 176.750 175.328 -0.121 0.000 1.072 131 H CA 0.553 56.368 56.048 -0.389 0.000 1.202 131 H CB 0.733 30.098 29.762 -0.661 0.000 1.535 131 H HN 0.233 nan 8.280 nan 0.000 0.522 132 G N 1.797 110.630 108.800 0.056 0.000 2.593 132 G HA2 -0.292 3.669 3.960 0.002 0.000 0.237 132 G HA3 -0.292 3.669 3.960 0.002 0.000 0.237 132 G C -0.446 174.581 174.900 0.211 0.000 1.312 132 G CA -0.274 44.898 45.100 0.120 0.000 0.896 132 G HN 0.295 nan 8.290 nan 0.000 0.574 133 L N 1.063 122.426 121.223 0.233 0.000 2.584 133 L HA 0.536 4.877 4.340 0.002 0.000 0.272 133 L C 0.807 177.872 176.870 0.325 0.000 1.195 133 L CA 1.800 56.816 54.840 0.293 0.000 0.920 133 L CB -0.144 42.093 42.059 0.297 0.000 1.173 133 L HN 2.148 nan 8.230 nan 0.000 0.489 134 A N 4.016 127.082 122.820 0.409 0.000 2.610 134 A HA 0.667 4.988 4.320 0.002 0.000 0.291 134 A C -1.348 176.496 177.584 0.434 0.000 1.086 134 A CA -0.677 51.615 52.037 0.425 0.000 0.677 134 A CB 1.053 20.306 19.000 0.421 0.000 1.278 134 A HN 0.362 nan 8.150 nan 0.000 0.414 135 V N 1.804 121.896 119.914 0.297 0.000 2.432 135 V HA 0.308 4.429 4.120 0.002 0.000 0.271 135 V C 1.367 177.555 176.094 0.157 0.000 1.046 135 V CA 0.303 62.682 62.300 0.132 0.000 0.945 135 V CB 0.840 32.674 31.823 0.018 0.000 0.992 135 V HN 1.037 nan 8.190 nan 0.000 0.471 136 R N 4.721 125.112 120.500 -0.181 0.000 2.123 136 R HA 0.427 4.768 4.340 0.002 0.000 0.209 136 R C 0.526 176.551 176.300 -0.458 0.000 1.078 136 R CA 1.175 56.946 56.100 -0.547 0.000 1.028 136 R CB 0.234 29.666 30.300 -1.447 0.000 0.939 136 R HN 0.733 nan 8.270 nan 0.000 0.463 137 A N 0.393 122.978 122.820 -0.392 0.000 2.393 137 A HA 0.660 4.981 4.320 0.002 0.000 0.306 137 A C -1.468 175.945 177.584 -0.285 0.000 1.050 137 A CA -0.707 51.136 52.037 -0.324 0.000 0.724 137 A CB 2.130 20.959 19.000 -0.286 0.000 1.248 137 A HN 0.021 nan 8.150 nan 0.000 0.424 138 V N 2.102 121.844 119.914 -0.287 0.000 2.347 138 V HA 0.631 4.753 4.120 0.002 0.000 0.280 138 V C 0.476 176.421 176.094 -0.248 0.000 1.021 138 V CA -0.092 62.045 62.300 -0.272 0.000 0.847 138 V CB 1.088 32.789 31.823 -0.204 0.000 0.990 138 V HN 1.180 nan 8.190 nan 0.000 0.444 139 A N 6.745 129.366 122.820 -0.332 0.000 2.317 139 A HA 0.913 5.234 4.320 0.002 0.000 0.327 139 A C -0.799 176.771 177.584 -0.024 0.000 1.178 139 A CA -0.530 51.329 52.037 -0.296 0.000 0.817 139 A CB 0.835 19.370 19.000 -0.775 0.000 1.189 139 A HN 0.783 nan 8.150 nan 0.000 0.489 140 L N 1.638 122.914 121.223 0.089 0.000 2.342 140 L HA 0.612 4.953 4.340 0.002 0.000 0.271 140 L C 0.484 177.462 176.870 0.181 0.000 1.008 140 L CA -0.776 54.168 54.840 0.173 0.000 0.818 140 L CB 1.784 43.988 42.059 0.241 0.000 1.296 140 L HN 0.856 nan 8.230 nan 0.000 0.427 141 R N 1.943 122.541 120.500 0.164 0.000 2.297 141 R HA 0.655 4.996 4.340 0.002 0.000 0.308 141 R C -0.979 175.319 176.300 -0.003 0.000 1.029 141 R CA -0.432 55.717 56.100 0.081 0.000 0.929 141 R CB 1.360 31.727 30.300 0.111 0.000 1.046 141 R HN 0.556 nan 8.270 nan 0.000 0.461 142 V N 0.766 120.647 119.914 -0.054 0.000 3.102 142 V HA 0.628 4.749 4.120 0.002 0.000 0.312 142 V C 0.813 176.826 176.094 -0.135 0.000 1.135 142 V CA -0.229 62.023 62.300 -0.079 0.000 1.022 142 V CB 1.493 33.264 31.823 -0.087 0.000 1.056 142 V HN 0.891 nan 8.190 nan 0.000 0.436 143 A N 0.847 123.609 122.820 -0.097 0.000 1.908 143 A HA 0.008 4.329 4.320 0.002 0.000 0.218 143 A C 0.919 178.464 177.584 -0.065 0.000 1.181 143 A CA 2.401 54.410 52.037 -0.047 0.000 0.627 143 A CB -0.642 18.428 19.000 0.117 0.000 0.818 143 A HN 1.330 nan 8.150 nan 0.000 0.445 144 D N -3.668 116.696 120.400 -0.061 0.000 2.591 144 D HA 0.530 5.171 4.640 0.002 0.000 0.222 144 D C 0.348 176.588 176.300 -0.100 0.000 1.360 144 D CA 0.227 54.187 54.000 -0.066 0.000 0.967 144 D CB 0.907 41.685 40.800 -0.037 0.000 1.456 144 D HN 0.087 nan 8.370 nan 0.000 0.588 145 A N 3.537 126.315 122.820 -0.071 0.000 1.972 145 A HA -0.154 4.167 4.320 0.002 0.000 0.219 145 A C 1.788 179.352 177.584 -0.033 0.000 1.169 145 A CA 1.701 53.710 52.037 -0.047 0.000 0.635 145 A CB -0.389 18.641 19.000 0.050 0.000 0.810 145 A HN 0.701 nan 8.150 nan 0.000 0.446 146 E N -0.393 119.787 120.200 -0.033 0.000 2.047 146 E HA -0.245 4.106 4.350 0.002 0.000 0.191 146 E C 1.646 178.259 176.600 0.021 0.000 0.987 146 E CA 1.358 57.748 56.400 -0.016 0.000 0.799 146 E CB -0.158 29.525 29.700 -0.027 0.000 0.752 146 E HN 0.566 nan 8.360 nan 0.000 0.449 147 D N -0.266 120.120 120.400 -0.024 0.000 2.183 147 D HA -0.054 4.587 4.640 0.002 0.000 0.203 147 D C 1.745 177.984 176.300 -0.101 0.000 0.969 147 D CA 1.247 55.235 54.000 -0.020 0.000 0.842 147 D CB -0.026 40.770 40.800 -0.006 0.000 0.957 147 D HN 0.256 nan 8.370 nan 0.000 0.484 148 A N -0.450 122.190 122.820 -0.300 0.000 1.930 148 A HA -0.073 4.248 4.320 0.002 0.000 0.217 148 A C 2.121 179.331 177.584 -0.624 0.000 1.175 148 A CA 1.055 52.549 52.037 -0.905 0.000 0.627 148 A CB -1.083 16.969 19.000 -1.580 0.000 0.815 148 A HN 0.417 nan 8.150 nan 0.000 0.443 149 F N 0.439 120.199 119.950 -0.318 0.000 2.084 149 F HA -0.116 4.412 4.527 0.002 0.000 0.296 149 F C 2.395 178.148 175.800 -0.078 0.000 1.111 149 F CA 2.023 59.983 58.000 -0.066 0.000 1.224 149 F CB -0.281 38.712 39.000 -0.012 0.000 0.991 149 F HN 0.174 nan 8.300 nan 0.000 0.471 150 R N 0.636 121.220 120.500 0.138 0.000 2.080 150 R HA -0.205 4.136 4.340 0.002 0.000 0.236 150 R C 2.327 178.597 176.300 -0.050 0.000 1.137 150 R CA 1.641 57.758 56.100 0.029 0.000 0.943 150 R CB -0.905 29.448 30.300 0.088 0.000 0.846 150 R HN 0.421 nan 8.270 nan 0.000 0.431 151 A N 0.090 122.906 122.820 -0.006 0.000 1.940 151 A HA -0.142 4.179 4.320 0.002 0.000 0.219 151 A C 2.241 179.865 177.584 0.065 0.000 1.176 151 A CA 1.930 54.002 52.037 0.058 0.000 0.631 151 A CB -0.451 18.651 19.000 0.170 0.000 0.814 151 A HN 0.457 nan 8.150 nan 0.000 0.446 152 S N -0.579 115.129 115.700 0.013 0.000 2.345 152 S HA -0.143 4.328 4.470 0.002 0.000 0.220 152 S C 2.103 176.600 174.600 -0.173 0.000 1.031 152 S CA 1.669 59.892 58.200 0.039 0.000 0.996 152 S CB -0.759 62.434 63.200 -0.012 0.000 0.882 152 S HN 0.939 nan 8.310 nan 0.000 0.445 153 V N 0.780 120.471 119.914 -0.372 0.000 2.515 153 V HA 0.017 4.138 4.120 0.002 0.000 0.250 153 V C 2.173 178.167 176.094 -0.167 0.000 1.058 153 V CA 1.519 63.602 62.300 -0.361 0.000 1.064 153 V CB -1.360 30.130 31.823 -0.556 0.000 0.675 153 V HN 0.399 nan 8.190 nan 0.000 0.461 154 A N 0.559 123.314 122.820 -0.109 0.000 2.015 154 A HA 0.339 4.660 4.320 0.002 0.000 0.219 154 A C 2.145 179.723 177.584 -0.009 0.000 1.163 154 A CA 1.590 53.601 52.037 -0.042 0.000 0.646 154 A CB -0.661 18.328 19.000 -0.018 0.000 0.806 154 A HN 1.175 nan 8.150 nan 0.000 0.448 155 A N -1.950 120.876 122.820 0.010 0.000 2.507 155 A HA 0.487 4.808 4.320 0.002 0.000 0.270 155 A C 1.424 179.055 177.584 0.078 0.000 1.318 155 A CA 0.871 52.939 52.037 0.052 0.000 0.924 155 A CB -0.816 18.232 19.000 0.080 0.000 1.061 155 A HN 1.726 nan 8.150 nan 0.000 0.516 156 G N -1.496 107.327 108.800 0.038 0.000 2.213 156 G HA2 0.103 4.064 3.960 0.002 0.000 0.226 156 G HA3 0.103 4.064 3.960 0.002 0.000 0.226 156 G C 0.592 175.535 174.900 0.071 0.000 0.992 156 G CA -0.001 45.151 45.100 0.087 0.000 0.632 156 G HN 1.672 nan 8.290 nan 0.000 0.511 157 A N 1.033 123.731 122.820 -0.203 0.000 2.531 157 A HA 0.542 4.863 4.320 0.002 0.000 0.236 157 A C 0.793 178.235 177.584 -0.237 0.000 1.062 157 A CA 0.305 51.992 52.037 -0.584 0.000 0.760 157 A CB 0.194 18.425 19.000 -1.282 0.000 0.995 157 A HN 0.398 nan 8.150 nan 0.000 0.501 158 R N 3.134 123.597 120.500 -0.061 0.000 2.216 158 R HA 0.287 4.628 4.340 0.002 0.000 0.332 158 R C -2.655 173.570 176.300 -0.125 0.000 1.056 158 R CA -1.944 54.117 56.100 -0.065 0.000 0.901 158 R CB 0.539 30.820 30.300 -0.031 0.000 1.039 158 R HN 0.552 nan 8.270 nan 0.000 0.456 159 P HA 0.033 nan 4.420 nan 0.000 0.269 159 P C -0.301 177.041 177.300 0.071 0.000 1.209 159 P CA 0.109 63.206 63.100 -0.004 0.000 0.776 159 P CB 1.135 32.886 31.700 0.086 0.000 0.876 160 A N 2.729 125.629 122.820 0.133 0.000 2.009 160 A HA 0.358 4.679 4.320 0.002 0.000 0.197 160 A C -0.016 177.709 177.584 0.234 0.000 1.471 160 A CA 0.399 52.508 52.037 0.119 0.000 0.973 160 A CB 0.265 19.291 19.000 0.044 0.000 1.020 160 A HN 0.491 nan 8.150 nan 0.000 0.476 161 F N -0.333 119.650 119.950 0.056 0.000 2.651 161 F HA 0.550 5.078 4.527 0.002 0.000 0.329 161 F C 0.289 176.022 175.800 -0.111 0.000 1.186 161 F CA -0.760 57.237 58.000 -0.004 0.000 1.046 161 F CB 0.764 39.755 39.000 -0.016 0.000 1.296 161 F HN 0.221 nan 8.300 nan 0.000 0.497 162 G N 4.637 112.945 108.800 -0.821 0.000 2.554 162 G HA2 0.410 4.371 3.960 0.002 0.000 0.238 162 G HA3 0.410 4.371 3.960 0.002 0.000 0.238 162 G C -2.804 171.574 174.900 -0.870 0.000 1.259 162 G CA -1.175 43.349 45.100 -0.960 0.000 0.843 162 G HN 0.420 nan 8.290 nan 0.000 0.582 163 P HA 0.253 nan 4.420 nan 0.000 0.266 163 P C -0.101 177.040 177.300 -0.265 0.000 1.195 163 P CA -0.078 62.772 63.100 -0.416 0.000 0.768 163 P CB 1.079 32.552 31.700 -0.378 0.000 0.838 164 V N -0.625 119.236 119.914 -0.089 0.000 3.114 164 V HA 0.581 4.702 4.120 0.002 0.000 0.308 164 V C -0.965 175.151 176.094 0.037 0.000 1.168 164 V CA -0.931 61.358 62.300 -0.017 0.000 1.015 164 V CB 2.590 34.466 31.823 0.087 0.000 1.050 164 V HN 0.243 nan 8.190 nan 0.000 0.433 165 D N 1.487 121.912 120.400 0.042 0.000 2.175 165 D HA 0.561 5.202 4.640 0.002 0.000 0.248 165 D C 0.477 176.831 176.300 0.090 0.000 1.047 165 D CA -0.200 53.840 54.000 0.068 0.000 0.883 165 D CB 2.584 43.415 40.800 0.052 0.000 1.180 165 D HN 0.612 nan 8.370 nan 0.000 0.438 166 L N 0.623 121.918 121.223 0.119 0.000 2.672 166 L HA 0.319 4.660 4.340 0.002 0.000 0.236 166 L C 1.083 178.003 176.870 0.083 0.000 1.092 166 L CA -0.053 54.842 54.840 0.092 0.000 0.887 166 L CB 0.386 42.484 42.059 0.065 0.000 1.168 166 L HN 0.578 nan 8.230 nan 0.000 0.502 167 G N 0.122 109.001 108.800 0.133 0.000 2.428 167 G HA2 -0.047 3.914 3.960 0.002 0.000 0.681 167 G HA3 -0.047 3.914 3.960 0.002 0.000 0.681 167 G C -0.190 174.851 174.900 0.235 0.000 1.340 167 G CA -0.833 44.344 45.100 0.127 0.000 0.915 167 G HN 0.153 nan 8.290 nan 0.000 0.645 168 R N -0.800 119.812 120.500 0.187 0.000 3.610 168 R HA -0.130 4.211 4.340 0.002 0.000 0.274 168 R C 1.681 178.098 176.300 0.195 0.000 1.123 168 R CA 2.176 58.407 56.100 0.218 0.000 0.747 168 R CB -1.538 28.938 30.300 0.294 0.000 1.149 168 R HN 2.753 nan 8.270 nan 0.000 0.471 169 G N -1.676 107.200 108.800 0.127 0.000 2.159 169 G HA2 -0.348 3.613 3.960 0.002 0.000 0.256 169 G HA3 -0.348 3.613 3.960 0.002 0.000 0.256 169 G C 0.102 174.985 174.900 -0.030 0.000 0.977 169 G CA 0.149 45.263 45.100 0.023 0.000 0.652 169 G HN 0.317 nan 8.290 nan 0.000 0.531 170 F N 1.127 121.113 119.950 0.059 0.000 2.427 170 F HA 0.689 5.217 4.527 0.002 0.000 0.352 170 F C 1.225 177.048 175.800 0.038 0.000 1.100 170 F CA -0.126 57.909 58.000 0.059 0.000 1.191 170 F CB 0.937 39.924 39.000 -0.021 0.000 1.128 170 F HN -0.013 nan 8.300 nan 0.000 0.533 171 R N 3.387 124.000 120.500 0.189 0.000 2.744 171 R HA 0.788 5.129 4.340 0.002 0.000 0.279 171 R C -1.643 174.728 176.300 0.119 0.000 0.977 171 R CA -1.116 55.054 56.100 0.116 0.000 0.906 171 R CB 2.719 33.048 30.300 0.048 0.000 1.197 171 R HN 0.663 nan 8.270 nan 0.000 0.463 172 L N 0.761 122.046 121.223 0.102 0.000 2.424 172 L HA 0.922 5.263 4.340 0.002 0.000 0.258 172 L C -1.734 175.205 176.870 0.114 0.000 0.995 172 L CA -0.429 54.480 54.840 0.115 0.000 0.821 172 L CB 2.232 44.361 42.059 0.118 0.000 1.383 172 L HN 0.875 nan 8.230 nan 0.000 0.410 173 A N 2.962 125.860 122.820 0.131 0.000 2.601 173 A HA 0.772 5.093 4.320 0.002 0.000 0.291 173 A C -1.837 175.804 177.584 0.095 0.000 1.075 173 A CA -0.581 51.520 52.037 0.106 0.000 0.671 173 A CB 1.919 20.942 19.000 0.039 0.000 1.277 173 A HN 0.700 nan 8.150 nan 0.000 0.417 174 E N -0.504 119.771 120.200 0.124 0.000 2.356 174 E HA 0.598 4.949 4.350 0.002 0.000 0.275 174 E C -1.079 175.535 176.600 0.023 0.000 0.904 174 E CA -0.893 55.496 56.400 -0.017 0.000 0.757 174 E CB 2.735 32.442 29.700 0.011 0.000 1.232 174 E HN 1.152 nan 8.360 nan 0.000 0.442 175 V N -1.545 118.267 119.914 -0.170 0.000 3.102 175 V HA 0.529 4.650 4.120 0.002 0.000 0.312 175 V C -0.594 175.392 176.094 -0.180 0.000 1.135 175 V CA -1.069 61.116 62.300 -0.192 0.000 1.022 175 V CB 1.893 33.462 31.823 -0.424 0.000 1.056 175 V HN 0.626 nan 8.190 nan 0.000 0.436 176 E N 1.248 121.380 120.200 -0.115 0.000 2.316 176 E HA 0.242 4.593 4.350 0.002 0.000 0.275 176 E C -0.050 176.567 176.600 0.029 0.000 1.029 176 E CA -0.339 56.031 56.400 -0.050 0.000 0.871 176 E CB 1.891 31.584 29.700 -0.013 0.000 1.022 176 E HN 0.651 nan 8.360 nan 0.000 0.418 177 L N 4.524 125.670 121.223 -0.129 0.000 2.208 177 L HA 0.102 4.443 4.340 0.002 0.000 0.196 177 L C -0.377 176.399 176.870 -0.157 0.000 1.130 177 L CA 1.310 55.969 54.840 -0.303 0.000 0.791 177 L CB 0.178 41.752 42.059 -0.808 0.000 0.969 177 L HN 0.572 nan 8.230 nan 0.000 0.468 178 Y N -1.793 118.488 120.300 -0.033 0.000 2.482 178 Y HA 0.657 5.208 4.550 0.002 0.000 0.334 178 Y C 0.420 176.320 175.900 0.001 0.000 1.091 178 Y CA -1.395 56.697 58.100 -0.012 0.000 1.027 178 Y CB 0.117 38.554 38.460 -0.039 0.000 1.306 178 Y HN 0.508 nan 8.280 nan 0.000 0.446 179 G N 2.591 111.514 108.800 0.204 0.000 2.611 179 G HA2 -0.366 3.595 3.960 0.002 0.000 0.301 179 G HA3 -0.366 3.595 3.960 0.002 0.000 0.301 179 G C 0.004 174.982 174.900 0.131 0.000 1.233 179 G CA 0.922 46.123 45.100 0.168 0.000 0.993 179 G HN 1.240 nan 8.290 nan 0.000 0.553 180 D N 0.131 120.636 120.400 0.174 0.000 2.491 180 D HA 0.401 5.042 4.640 0.002 0.000 0.228 180 D C 0.577 176.963 176.300 0.143 0.000 1.183 180 D CA -0.030 54.079 54.000 0.182 0.000 0.827 180 D CB 0.251 41.239 40.800 0.313 0.000 0.989 180 D HN 0.505 nan 8.370 nan 0.000 0.494 181 V N 0.959 120.901 119.914 0.046 0.000 2.439 181 V HA 0.439 4.560 4.120 0.002 0.000 0.282 181 V C 0.614 176.566 176.094 -0.237 0.000 1.039 181 V CA -1.027 61.212 62.300 -0.102 0.000 0.913 181 V CB 1.547 33.274 31.823 -0.159 0.000 0.983 181 V HN 0.246 nan 8.190 nan 0.000 0.460 182 V N 3.254 123.000 119.914 -0.281 0.000 2.881 182 V HA 0.735 4.856 4.120 0.002 0.000 0.316 182 V C -0.596 175.308 176.094 -0.316 0.000 1.070 182 V CA -1.064 61.071 62.300 -0.275 0.000 0.976 182 V CB 1.850 33.527 31.823 -0.244 0.000 1.038 182 V HN 0.644 nan 8.190 nan 0.000 0.446 183 L N 3.073 124.110 121.223 -0.309 0.000 2.276 183 L HA 0.594 4.935 4.340 0.002 0.000 0.286 183 L C 0.080 176.671 176.870 -0.465 0.000 1.024 183 L CA -0.265 54.382 54.840 -0.320 0.000 0.826 183 L CB 0.874 42.808 42.059 -0.210 0.000 1.211 183 L HN 0.925 nan 8.230 nan 0.000 0.422 184 R N 3.714 123.996 120.500 -0.363 0.000 2.368 184 R HA 0.420 4.761 4.340 0.002 0.000 0.302 184 R C -1.535 174.621 176.300 -0.240 0.000 1.002 184 R CA -0.467 55.445 56.100 -0.314 0.000 0.929 184 R CB 0.753 30.947 30.300 -0.176 0.000 1.073 184 R HN 0.515 nan 8.270 nan 0.000 0.464 185 Y N 2.473 122.763 120.300 -0.018 0.000 2.377 185 Y HA 0.467 5.018 4.550 0.002 0.000 0.339 185 Y C -0.224 175.658 175.900 -0.031 0.000 1.011 185 Y CA -0.873 57.205 58.100 -0.036 0.000 1.093 185 Y CB 2.095 40.506 38.460 -0.081 0.000 1.201 185 Y HN 0.185 nan 8.280 nan 0.000 0.455 186 V N 2.849 122.837 119.914 0.122 0.000 2.686 186 V HA 0.722 4.843 4.120 0.002 0.000 0.306 186 V C -0.864 175.247 176.094 0.027 0.000 1.065 186 V CA -0.788 61.539 62.300 0.046 0.000 0.894 186 V CB 2.071 33.809 31.823 -0.142 0.000 1.004 186 V HN 0.843 nan 8.190 nan 0.000 0.424 187 S N 4.274 120.008 115.700 0.057 0.000 2.546 187 S HA 0.968 5.439 4.470 0.002 0.000 0.274 187 S C -1.282 173.283 174.600 -0.058 0.000 1.121 187 S CA -0.750 57.388 58.200 -0.103 0.000 0.887 187 S CB 2.287 65.423 63.200 -0.106 0.000 1.094 187 S HN 1.232 nan 8.310 nan 0.000 0.474 188 Y N -2.753 117.355 120.300 -0.320 0.000 2.662 188 Y HA 0.724 5.275 4.550 0.001 0.000 0.334 188 Y C -3.482 172.213 175.900 -0.342 0.000 1.185 188 Y CA -2.180 55.581 58.100 -0.564 0.000 1.074 188 Y CB -0.349 37.283 38.460 -1.379 0.000 1.330 188 Y HN 0.508 nan 8.280 nan 0.000 0.458 189 P HA 0.097 nan 4.420 nan 0.000 0.267 189 P C 0.045 177.315 177.300 -0.049 0.000 1.200 189 P CA 0.210 63.254 63.100 -0.093 0.000 0.772 189 P CB 0.835 32.509 31.700 -0.044 0.000 0.855 190 D N 1.786 122.151 120.400 -0.058 0.000 2.221 190 D HA -0.093 4.548 4.640 0.002 0.000 0.204 190 D C 2.035 178.373 176.300 0.063 0.000 0.982 190 D CA 1.548 55.538 54.000 -0.016 0.000 0.857 190 D CB -0.502 40.286 40.800 -0.020 0.000 0.934 190 D HN 0.553 nan 8.370 nan 0.000 0.475 191 G N -0.166 108.664 108.800 0.051 0.000 2.744 191 G HA2 0.067 4.028 3.960 0.002 0.000 0.211 191 G HA3 0.067 4.028 3.960 0.002 0.000 0.211 191 G C 1.261 176.220 174.900 0.098 0.000 1.143 191 G CA 0.576 45.717 45.100 0.067 0.000 0.788 191 G HN 0.321 nan 8.290 nan 0.000 0.534 192 A N 0.290 123.185 122.820 0.124 0.000 2.345 192 A HA 0.663 4.984 4.320 0.002 0.000 0.225 192 A C 2.215 179.930 177.584 0.219 0.000 1.243 192 A CA 0.912 53.041 52.037 0.152 0.000 0.875 192 A CB -0.036 18.999 19.000 0.058 0.000 0.929 192 A HN 0.448 nan 8.150 nan 0.000 0.502 193 A N -0.374 122.604 122.820 0.264 0.000 2.248 193 A HA 0.206 4.527 4.320 0.002 0.000 0.210 193 A C 1.909 179.607 177.584 0.191 0.000 1.174 193 A CA 1.183 53.402 52.037 0.303 0.000 0.750 193 A CB -0.691 18.492 19.000 0.306 0.000 0.780 193 A HN 0.660 nan 8.150 nan 0.000 0.478 194 G N -0.841 108.052 108.800 0.154 0.000 2.920 194 G HA2 0.061 4.022 3.960 0.002 0.000 0.208 194 G HA3 0.061 4.022 3.960 0.002 0.000 0.208 194 G C 0.482 175.447 174.900 0.107 0.000 1.159 194 G CA -0.234 44.937 45.100 0.117 0.000 0.784 194 G HN 0.582 nan 8.290 nan 0.000 0.535 195 E N 0.438 120.712 120.200 0.123 0.000 2.373 195 E HA 0.098 4.449 4.350 0.002 0.000 0.267 195 E C -1.167 175.470 176.600 0.062 0.000 1.032 195 E CA -1.490 54.955 56.400 0.075 0.000 0.889 195 E CB 1.290 31.010 29.700 0.033 0.000 0.984 195 E HN -0.011 nan 8.360 nan 0.000 0.425 196 P HA -0.176 nan 4.420 nan 0.000 0.215 196 P C 0.438 177.825 177.300 0.146 0.000 1.163 196 P CA 1.596 64.753 63.100 0.095 0.000 0.894 196 P CB 0.180 31.946 31.700 0.111 0.000 0.791 197 F N -4.313 115.550 119.950 -0.144 0.000 1.855 197 F HA 0.334 4.862 4.527 0.002 0.000 0.229 197 F C -1.059 174.516 175.800 -0.375 0.000 1.260 197 F CA -0.499 57.340 58.000 -0.268 0.000 1.277 197 F CB 0.356 39.050 39.000 -0.511 0.000 1.975 197 F HN -0.388 nan 8.300 nan 0.000 0.155 198 L N 1.342 122.130 121.223 -0.725 0.000 2.393 198 L HA 0.560 4.901 4.340 0.002 0.000 0.260 198 L C -2.584 174.011 176.870 -0.458 0.000 1.002 198 L CA -2.369 51.923 54.840 -0.913 0.000 0.818 198 L CB 1.440 42.913 42.059 -0.978 0.000 1.369 198 L HN -0.060 nan 8.230 nan 0.000 0.412 199 P HA 0.263 nan 4.420 nan 0.000 0.265 199 P C 0.585 177.871 177.300 -0.024 0.000 1.187 199 P CA 1.204 64.149 63.100 -0.259 0.000 0.766 199 P CB 0.578 32.137 31.700 -0.235 0.000 0.820 200 G N 1.026 109.830 108.800 0.008 0.000 2.234 200 G HA2 -0.236 3.725 3.960 0.002 0.000 0.235 200 G HA3 -0.236 3.725 3.960 0.002 0.000 0.235 200 G C -0.120 174.762 174.900 -0.029 0.000 0.997 200 G CA -0.569 44.528 45.100 -0.004 0.000 0.623 200 G HN 0.406 nan 8.290 nan 0.000 0.514 201 F N 2.138 122.062 119.950 -0.043 0.000 2.408 201 F HA 0.567 5.095 4.527 0.002 0.000 0.344 201 F C 0.636 176.437 175.800 0.002 0.000 1.112 201 F CA -0.742 57.266 58.000 0.014 0.000 1.096 201 F CB 1.485 40.551 39.000 0.110 0.000 1.129 201 F HN 0.184 nan 8.300 nan 0.000 0.486 202 E N 2.387 122.652 120.200 0.108 0.000 2.283 202 E HA 0.457 4.808 4.350 0.002 0.000 0.278 202 E C 0.110 176.777 176.600 0.112 0.000 1.027 202 E CA -0.632 55.812 56.400 0.074 0.000 0.843 202 E CB 1.080 30.788 29.700 0.015 0.000 1.062 202 E HN 0.788 nan 8.360 nan 0.000 0.401 203 G N 1.934 110.786 108.800 0.087 0.000 2.503 203 G HA2 0.392 4.353 3.960 0.002 0.000 0.257 203 G HA3 0.392 4.353 3.960 0.002 0.000 0.257 203 G C -0.809 174.126 174.900 0.059 0.000 1.214 203 G CA -0.481 44.667 45.100 0.080 0.000 0.839 203 G HN 0.382 nan 8.290 nan 0.000 0.559 204 V N 1.257 121.204 119.914 0.055 0.000 2.483 204 V HA 0.614 4.735 4.120 0.002 0.000 0.297 204 V C 0.574 176.688 176.094 0.034 0.000 1.027 204 V CA -0.858 61.467 62.300 0.040 0.000 0.855 204 V CB 1.130 32.978 31.823 0.041 0.000 0.995 204 V HN 1.130 nan 8.190 nan 0.000 0.424 205 A N 3.633 126.470 122.820 0.028 0.000 2.351 205 A HA 0.683 5.004 4.320 0.002 0.000 0.257 205 A C 0.551 178.149 177.584 0.022 0.000 1.087 205 A CA -0.065 51.987 52.037 0.025 0.000 0.798 205 A CB 0.555 19.569 19.000 0.023 0.000 1.033 205 A HN 1.231 nan 8.150 nan 0.000 0.488 206 S N 1.819 117.532 115.700 0.021 0.000 2.150 206 S HA 0.467 4.938 4.470 0.002 0.000 0.171 206 S C -2.242 172.369 174.600 0.019 0.000 1.620 206 S CA -0.842 57.370 58.200 0.019 0.000 1.190 206 S CB 0.569 63.779 63.200 0.017 0.000 1.102 206 S HN 0.514 nan 8.310 nan 0.000 0.464 207 P HA 0.109 nan 4.420 nan 0.000 0.210 207 P C 1.146 178.457 177.300 0.018 0.000 1.191 207 P CA 0.917 64.027 63.100 0.017 0.000 0.917 207 P CB -0.249 31.460 31.700 0.015 0.000 0.778 208 G N -0.734 108.076 108.800 0.017 0.000 3.717 208 G HA2 0.486 4.447 3.960 0.002 0.000 0.258 208 G HA3 0.486 4.447 3.960 0.002 0.000 0.258 208 G C -0.365 174.549 174.900 0.024 0.000 1.088 208 G CA 0.142 45.254 45.100 0.019 0.000 1.737 208 G HN 0.468 nan 8.290 nan 0.000 0.648 209 A N -0.023 122.812 122.820 0.026 0.000 2.449 209 A HA 0.953 5.274 4.320 0.002 0.000 0.302 209 A C -0.416 177.188 177.584 0.033 0.000 1.048 209 A CA -0.232 51.822 52.037 0.028 0.000 0.708 209 A CB 1.939 20.950 19.000 0.019 0.000 1.274 209 A HN 1.383 nan 8.150 nan 0.000 0.410 210 A N 1.923 124.769 122.820 0.043 0.000 2.486 210 A HA 0.751 5.072 4.320 0.002 0.000 0.300 210 A C -0.804 176.804 177.584 0.041 0.000 1.048 210 A CA -0.284 51.787 52.037 0.057 0.000 0.696 210 A CB 1.137 20.191 19.000 0.090 0.000 1.278 210 A HN 1.092 nan 8.150 nan 0.000 0.405 211 D N -0.674 119.742 120.400 0.028 0.000 2.478 211 D HA 0.433 5.074 4.640 0.002 0.000 0.263 211 D C -0.344 176.042 176.300 0.144 0.000 1.153 211 D CA -0.228 53.742 54.000 -0.050 0.000 1.038 211 D CB 0.239 41.009 40.800 -0.050 0.000 1.120 211 D HN 0.338 nan 8.370 nan 0.000 0.564 212 Y N -1.223 119.094 120.300 0.029 0.000 2.555 212 Y HA 0.430 4.981 4.550 0.002 0.000 0.259 212 Y C 1.711 177.622 175.900 0.017 0.000 1.179 212 Y CA -0.520 57.595 58.100 0.026 0.000 1.230 212 Y CB 0.289 38.770 38.460 0.036 0.000 1.146 212 Y HN 0.762 nan 8.280 nan 0.000 0.526 213 G N -0.066 108.816 108.800 0.137 0.000 2.179 213 G HA2 -0.238 3.723 3.960 0.002 0.000 0.220 213 G HA3 -0.238 3.723 3.960 0.002 0.000 0.220 213 G C 0.001 174.932 174.900 0.052 0.000 0.990 213 G CA -0.327 44.822 45.100 0.082 0.000 0.646 213 G HN 0.219 nan 8.290 nan 0.000 0.517 214 L N 1.793 123.043 121.223 0.045 0.000 2.410 214 L HA 0.452 4.793 4.340 0.002 0.000 0.273 214 L C 1.780 178.641 176.870 -0.014 0.000 1.152 214 L CA 0.508 55.354 54.840 0.011 0.000 0.855 214 L CB 1.401 43.460 42.059 -0.000 0.000 1.129 214 L HN 0.388 nan 8.230 nan 0.000 0.463 215 S N 2.695 118.382 115.700 -0.023 0.000 2.665 215 S HA 0.212 4.683 4.470 0.002 0.000 0.240 215 S C 0.406 174.976 174.600 -0.050 0.000 1.081 215 S CA -0.543 57.644 58.200 -0.022 0.000 0.887 215 S CB 0.521 63.725 63.200 0.006 0.000 0.805 215 S HN 0.754 nan 8.310 nan 0.000 0.486 216 R N -0.680 119.775 120.500 -0.074 0.000 2.716 216 R HA 0.510 4.851 4.340 0.002 0.000 0.271 216 R C -1.801 174.417 176.300 -0.136 0.000 1.028 216 R CA -0.891 55.156 56.100 -0.089 0.000 0.883 216 R CB 0.083 30.409 30.300 0.043 0.000 1.250 216 R HN 0.140 nan 8.270 nan 0.000 0.465 217 F N 0.901 120.798 119.950 -0.088 0.000 2.443 217 F HA 0.097 4.625 4.527 0.002 0.000 0.353 217 F C 1.330 177.063 175.800 -0.112 0.000 1.101 217 F CA 0.330 58.178 58.000 -0.255 0.000 1.226 217 F CB 1.280 39.853 39.000 -0.711 0.000 1.140 217 F HN 0.797 nan 8.300 nan 0.000 0.557 218 D N 0.168 120.638 120.400 0.117 0.000 2.652 218 D HA -0.013 4.628 4.640 0.002 0.000 0.261 218 D C -0.190 176.329 176.300 0.365 0.000 1.024 218 D CA 0.665 54.799 54.000 0.224 0.000 0.958 218 D CB 0.374 41.309 40.800 0.225 0.000 1.113 218 D HN 0.544 nan 8.370 nan 0.000 0.471 219 H N -1.418 117.738 119.070 0.145 0.000 3.016 219 H HA 0.470 5.027 4.556 0.002 0.000 0.362 219 H C -1.259 174.034 175.328 -0.058 0.000 1.233 219 H CA -1.034 55.102 56.048 0.147 0.000 1.124 219 H CB 0.627 30.543 29.762 0.257 0.000 1.850 219 H HN -0.020 nan 8.280 nan 0.000 0.549 220 I N 2.211 122.791 120.570 0.017 0.000 2.447 220 I HA 0.268 4.439 4.170 0.002 0.000 0.287 220 I C -0.558 175.501 176.117 -0.097 0.000 1.023 220 I CA -1.045 60.151 61.300 -0.174 0.000 1.083 220 I CB 2.200 40.060 38.000 -0.233 0.000 1.245 220 I HN 0.260 nan 8.210 nan 0.000 0.434 221 V N 4.813 124.551 119.914 -0.293 0.000 2.435 221 V HA 0.707 4.828 4.120 0.002 0.000 0.290 221 V C 0.529 176.451 176.094 -0.286 0.000 1.030 221 V CA -0.464 61.667 62.300 -0.281 0.000 0.881 221 V CB 1.554 33.089 31.823 -0.480 0.000 0.983 221 V HN 0.874 nan 8.190 nan 0.000 0.445 222 G N 2.656 111.272 108.800 -0.306 0.000 2.448 222 G HA2 0.565 4.526 3.960 0.002 0.000 0.324 222 G HA3 0.565 4.526 3.960 0.002 0.000 0.324 222 G C -0.884 173.612 174.900 -0.674 0.000 1.203 222 G CA -0.642 44.061 45.100 -0.662 0.000 0.954 222 G HN 0.554 nan 8.290 nan 0.000 0.480 223 N N -0.147 118.114 118.700 -0.731 0.000 2.399 223 N HA 0.623 5.364 4.740 0.002 0.000 0.295 223 N C -0.165 175.107 175.510 -0.397 0.000 1.048 223 N CA -0.363 52.361 53.050 -0.543 0.000 0.886 223 N CB 2.160 40.234 38.487 -0.689 0.000 1.185 223 N HN 0.568 nan 8.380 nan 0.000 0.487 224 V N -0.062 119.710 119.914 -0.237 0.000 3.007 224 V HA 0.630 4.751 4.120 0.002 0.000 0.311 224 V C -2.040 174.039 176.094 -0.026 0.000 1.120 224 V CA -1.671 60.560 62.300 -0.115 0.000 0.980 224 V CB 2.636 34.397 31.823 -0.103 0.000 1.033 224 V HN 0.390 nan 8.190 nan 0.000 0.429 225 P HA 0.030 nan 4.420 nan 0.000 0.221 225 P C 0.106 177.448 177.300 0.070 0.000 1.150 225 P CA 1.066 64.211 63.100 0.075 0.000 0.800 225 P CB 0.407 32.161 31.700 0.091 0.000 0.787 226 E N -0.843 119.386 120.200 0.049 0.000 2.260 226 E HA 0.179 4.530 4.350 0.002 0.000 0.266 226 E C 0.101 176.726 176.600 0.041 0.000 0.887 226 E CA -0.692 55.738 56.400 0.050 0.000 0.777 226 E CB 2.005 31.741 29.700 0.060 0.000 1.205 226 E HN -0.209 nan 8.360 nan 0.000 0.414 227 L N 3.144 124.385 121.223 0.030 0.000 1.994 227 L HA -0.131 4.210 4.340 0.002 0.000 0.208 227 L C 2.113 179.019 176.870 0.060 0.000 1.071 227 L CA 2.558 57.418 54.840 0.034 0.000 0.745 227 L CB -0.647 41.423 42.059 0.018 0.000 0.892 227 L HN 0.775 nan 8.230 nan 0.000 0.431 228 A N 0.627 123.481 122.820 0.056 0.000 1.859 228 A HA -0.159 4.162 4.320 0.002 0.000 0.217 228 A C 0.051 177.687 177.584 0.087 0.000 1.198 228 A CA 2.237 54.312 52.037 0.063 0.000 0.629 228 A CB -2.296 16.735 19.000 0.052 0.000 0.830 228 A HN 0.511 nan 8.150 nan 0.000 0.446 229 P HA -0.090 nan 4.420 nan 0.000 0.217 229 P C 1.531 178.929 177.300 0.164 0.000 1.150 229 P CA 1.865 65.030 63.100 0.109 0.000 0.832 229 P CB -0.149 31.599 31.700 0.079 0.000 0.787 230 A N 0.648 123.562 122.820 0.157 0.000 1.898 230 A HA 0.041 4.362 4.320 0.002 0.000 0.216 230 A C 2.511 180.277 177.584 0.303 0.000 1.181 230 A CA 1.908 54.085 52.037 0.233 0.000 0.620 230 A CB -1.469 17.631 19.000 0.165 0.000 0.819 230 A HN 0.222 nan 8.150 nan 0.000 0.442 231 A N -0.101 122.844 122.820 0.210 0.000 1.930 231 A HA 0.212 4.533 4.320 0.002 0.000 0.217 231 A C 2.480 180.149 177.584 0.142 0.000 1.175 231 A CA 1.892 54.037 52.037 0.180 0.000 0.627 231 A CB -0.953 18.104 19.000 0.095 0.000 0.815 231 A HN 0.999 nan 8.150 nan 0.000 0.443 232 A N -1.221 121.686 122.820 0.146 0.000 1.902 232 A HA -0.124 4.197 4.320 0.002 0.000 0.217 232 A C 2.161 179.847 177.584 0.169 0.000 1.181 232 A CA 1.770 53.882 52.037 0.125 0.000 0.623 232 A CB -0.808 18.267 19.000 0.125 0.000 0.818 232 A HN 0.788 nan 8.150 nan 0.000 0.443 233 Y N -0.982 119.405 120.300 0.145 0.000 2.133 233 Y HA -0.141 4.410 4.550 0.002 0.000 0.287 233 Y C 2.022 178.089 175.900 0.277 0.000 1.134 233 Y CA 1.694 59.924 58.100 0.217 0.000 1.133 233 Y CB -0.650 37.941 38.460 0.219 0.000 0.987 233 Y HN 0.293 nan 8.280 nan 0.000 0.502 234 F N 1.026 120.884 119.950 -0.153 0.000 2.075 234 F HA -0.111 4.417 4.527 0.002 0.000 0.297 234 F C 2.397 177.789 175.800 -0.680 0.000 1.113 234 F CA 1.660 59.353 58.000 -0.512 0.000 1.218 234 F CB -1.295 37.620 39.000 -0.142 0.000 0.984 234 F HN 0.131 nan 8.300 nan 0.000 0.472 235 A N 0.014 122.605 122.820 -0.381 0.000 1.969 235 A HA 0.024 4.345 4.320 0.002 0.000 0.218 235 A C 2.512 179.893 177.584 -0.338 0.000 1.169 235 A CA 1.452 53.218 52.037 -0.451 0.000 0.635 235 A CB -1.677 17.180 19.000 -0.239 0.000 0.810 235 A HN 0.502 nan 8.150 nan 0.000 0.445 236 G N -0.038 108.641 108.800 -0.201 0.000 2.421 236 G HA2 -0.177 3.784 3.960 0.002 0.000 0.216 236 G HA3 -0.177 3.784 3.960 0.002 0.000 0.216 236 G C 1.348 176.199 174.900 -0.082 0.000 1.171 236 G CA 1.299 46.344 45.100 -0.091 0.000 0.775 236 G HN 0.827 nan 8.290 nan 0.000 0.543 237 F N 1.596 121.433 119.950 -0.187 0.000 2.569 237 F HA 0.166 4.694 4.527 0.002 0.000 0.295 237 F C 2.373 178.106 175.800 -0.112 0.000 1.115 237 F CA 1.468 59.380 58.000 -0.148 0.000 1.450 237 F CB -0.692 38.186 39.000 -0.204 0.000 1.107 237 F HN 0.112 nan 8.300 nan 0.000 0.563 238 T N -3.635 110.527 114.554 -0.654 0.000 3.010 238 T HA 0.408 4.759 4.350 0.002 0.000 0.252 238 T C 1.893 176.163 174.700 -0.716 0.000 1.047 238 T CA 0.670 62.267 62.100 -0.837 0.000 1.140 238 T CB -0.433 67.313 68.868 -1.870 0.000 0.885 238 T HN 0.831 nan 8.240 nan 0.000 0.464 239 G N 1.056 109.562 108.800 -0.490 0.000 2.157 239 G HA2 -0.187 3.774 3.960 0.002 0.000 0.248 239 G HA3 -0.187 3.774 3.960 0.002 0.000 0.248 239 G C 0.092 174.931 174.900 -0.102 0.000 0.979 239 G CA -0.208 44.747 45.100 -0.242 0.000 0.650 239 G HN 0.611 nan 8.290 nan 0.000 0.529 240 F N 2.034 121.756 119.950 -0.381 0.000 2.539 240 F HA 0.383 4.911 4.527 0.002 0.000 0.340 240 F C 1.620 177.252 175.800 -0.280 0.000 1.185 240 F CA -0.104 57.672 58.000 -0.373 0.000 1.333 240 F CB 0.472 39.122 39.000 -0.583 0.000 1.152 240 F HN 0.386 nan 8.300 nan 0.000 0.602 241 H N 0.380 119.400 119.070 -0.083 0.000 2.771 241 H HA 0.325 4.882 4.556 0.002 0.000 0.367 241 H C -1.185 174.043 175.328 -0.165 0.000 1.172 241 H CA -1.142 54.812 56.048 -0.157 0.000 1.186 241 H CB 1.279 30.910 29.762 -0.218 0.000 1.790 241 H HN 0.650 nan 8.280 nan 0.000 0.556 242 E N 1.110 121.184 120.200 -0.210 0.000 2.316 242 E HA 0.044 4.395 4.350 0.002 0.000 0.275 242 E C -0.528 175.974 176.600 -0.162 0.000 1.029 242 E CA -0.322 55.962 56.400 -0.193 0.000 0.871 242 E CB 0.481 30.105 29.700 -0.128 0.000 1.022 242 E HN 0.558 nan 8.360 nan 0.000 0.418 243 F N 4.253 124.046 119.950 -0.262 0.000 2.437 243 F HA 0.414 4.942 4.527 0.002 0.000 0.288 243 F C 0.137 175.896 175.800 -0.069 0.000 1.085 243 F CA 0.755 58.667 58.000 -0.145 0.000 1.430 243 F CB 0.730 39.654 39.000 -0.126 0.000 1.120 243 F HN 0.551 nan 8.300 nan 0.000 0.556 244 A N -0.078 122.740 122.820 -0.004 0.000 2.511 244 A HA 0.600 4.921 4.320 0.002 0.000 0.293 244 A C -1.538 175.964 177.584 -0.136 0.000 1.098 244 A CA -0.343 51.628 52.037 -0.109 0.000 0.643 244 A CB 0.876 19.882 19.000 0.009 0.000 1.302 244 A HN 0.283 nan 8.150 nan 0.000 0.446 245 E N -0.665 119.365 120.200 -0.283 0.000 2.388 245 E HA 0.664 5.015 4.350 0.002 0.000 0.280 245 E C -2.043 174.296 176.600 -0.436 0.000 1.019 245 E CA -0.710 55.572 56.400 -0.196 0.000 0.806 245 E CB 1.377 31.019 29.700 -0.097 0.000 1.246 245 E HN 0.488 nan 8.360 nan 0.000 0.443 246 F N 0.665 120.577 119.950 -0.064 0.000 2.539 246 F HA 0.477 5.005 4.527 0.002 0.000 0.328 246 F C -0.421 175.349 175.800 -0.049 0.000 1.148 246 F CA -0.448 57.516 58.000 -0.061 0.000 0.940 246 F CB 2.579 41.500 39.000 -0.133 0.000 1.194 246 F HN 0.366 nan 8.300 nan 0.000 0.438 247 T N 1.307 115.927 114.554 0.109 0.000 2.893 247 T HA 0.793 5.144 4.350 0.002 0.000 0.291 247 T C -0.208 174.543 174.700 0.086 0.000 1.028 247 T CA -0.742 61.402 62.100 0.074 0.000 0.995 247 T CB 2.170 71.057 68.868 0.032 0.000 1.051 247 T HN 0.716 nan 8.240 nan 0.000 0.470 256 S N -0.574 114.968 115.700 -0.262 0.000 2.599 256 S HA 0.524 4.995 4.470 0.002 0.000 0.269 256 S C -0.249 174.392 174.600 0.068 0.000 1.135 256 S CA 0.053 58.205 58.200 -0.080 0.000 1.027 256 S CB 0.629 63.885 63.200 0.094 0.000 1.129 256 S HN 0.876 nan 8.310 nan 0.000 0.458 257 G N 3.498 112.375 108.800 0.128 0.000 3.424 257 G HA2 0.471 4.432 3.960 0.002 0.000 0.263 257 G HA3 0.471 4.432 3.960 0.002 0.000 0.263 257 G C -0.155 174.781 174.900 0.060 0.000 1.310 257 G CA 0.315 45.467 45.100 0.087 0.000 1.089 257 G HN 0.988 nan 8.290 nan 0.000 0.534 258 L N -4.077 117.195 121.223 0.082 0.000 2.720 258 L HA 0.625 4.966 4.340 0.002 0.000 0.261 258 L C -1.390 175.495 176.870 0.024 0.000 1.046 258 L CA -2.397 52.458 54.840 0.024 0.000 0.886 258 L CB 0.908 42.967 42.059 0.000 0.000 1.493 258 L HN -0.074 nan 8.230 nan 0.000 0.407 259 N N -0.495 118.203 118.700 -0.003 0.000 2.295 259 N HA 0.756 5.497 4.740 0.002 0.000 0.293 259 N C -1.523 173.987 175.510 0.001 0.000 1.040 259 N CA -0.498 52.562 53.050 0.016 0.000 0.840 259 N CB 2.117 40.611 38.487 0.011 0.000 1.468 259 N HN 0.877 nan 8.380 nan 0.000 0.478 260 S N 2.400 118.123 115.700 0.039 0.000 2.570 260 S HA 0.717 5.188 4.470 0.002 0.000 0.286 260 S C -1.529 173.114 174.600 0.072 0.000 1.099 260 S CA -0.664 57.553 58.200 0.027 0.000 0.913 260 S CB 1.200 64.386 63.200 -0.023 0.000 1.085 260 S HN 0.517 nan 8.310 nan 0.000 0.480 261 M N 4.513 124.123 119.600 0.017 0.000 2.277 261 M HA 0.428 4.909 4.480 0.002 0.000 0.282 261 M C -2.147 174.126 176.300 -0.045 0.000 1.074 261 M CA -0.507 54.791 55.300 -0.003 0.000 0.954 261 M CB 1.659 34.254 32.600 -0.007 0.000 1.672 261 M HN 0.489 nan 8.290 nan 0.000 0.471 262 V N 6.001 125.865 119.914 -0.082 0.000 2.432 262 V HA 0.439 4.560 4.120 0.002 0.000 0.275 262 V C 0.053 176.084 176.094 -0.106 0.000 1.043 262 V CA -0.494 61.727 62.300 -0.131 0.000 0.925 262 V CB 1.272 32.955 31.823 -0.233 0.000 0.985 262 V HN 0.775 nan 8.190 nan 0.000 0.466 263 L N 4.321 125.465 121.223 -0.132 0.000 2.334 263 L HA 0.908 5.249 4.340 0.002 0.000 0.275 263 L C 0.238 176.899 176.870 -0.349 0.000 1.036 263 L CA -0.251 54.444 54.840 -0.241 0.000 0.807 263 L CB 1.743 43.630 42.059 -0.287 0.000 1.231 263 L HN 0.779 nan 8.230 nan 0.000 0.438 264 A N 1.609 124.085 122.820 -0.572 0.000 2.556 264 A HA 0.616 4.937 4.320 0.002 0.000 0.294 264 A C -1.020 176.022 177.584 -0.904 0.000 1.091 264 A CA -0.845 50.759 52.037 -0.722 0.000 0.704 264 A CB 1.550 20.222 19.000 -0.547 0.000 1.300 264 A HN 0.728 nan 8.150 nan 0.000 0.406 265 N N 0.854 118.973 118.700 -0.969 0.000 2.364 265 N HA 0.087 4.828 4.740 0.002 0.000 0.264 265 N C 0.251 175.656 175.510 -0.174 0.000 1.263 265 N CA -0.323 52.280 53.050 -0.745 0.000 0.959 265 N CB -0.028 38.026 38.487 -0.721 0.000 1.204 265 N HN 0.503 nan 8.380 nan 0.000 0.550 266 N N -0.203 118.460 118.700 -0.062 0.000 2.061 266 N HA -0.186 4.555 4.740 0.002 0.000 0.193 266 N C 1.389 176.909 175.510 0.016 0.000 1.030 266 N CA 2.096 55.152 53.050 0.009 0.000 0.856 266 N CB -0.707 37.773 38.487 -0.012 0.000 1.023 266 N HN 0.792 nan 8.380 nan 0.000 0.424 267 S N -0.169 115.518 115.700 -0.021 0.000 2.607 267 S HA 0.066 4.537 4.470 0.002 0.000 0.224 267 S C 0.429 175.025 174.600 -0.006 0.000 0.969 267 S CA 0.397 58.590 58.200 -0.013 0.000 0.927 267 S CB -0.056 63.124 63.200 -0.033 0.000 0.772 267 S HN 0.271 nan 8.310 nan 0.000 0.533 268 E N 0.738 120.912 120.200 -0.044 0.000 2.971 268 E HA -0.190 4.161 4.350 0.002 0.000 0.278 268 E C 0.465 176.969 176.600 -0.160 0.000 1.009 268 E CA 0.891 57.232 56.400 -0.098 0.000 0.862 268 E CB -1.584 28.150 29.700 0.056 0.000 1.436 268 E HN 0.875 nan 8.360 nan 0.000 0.434 269 N N -0.552 118.058 118.700 -0.149 0.000 2.353 269 N HA -0.003 4.738 4.740 0.002 0.000 0.185 269 N C 0.138 175.544 175.510 -0.173 0.000 1.098 269 N CA 0.328 53.320 53.050 -0.097 0.000 0.872 269 N CB 0.596 39.061 38.487 -0.038 0.000 0.970 269 N HN 0.053 nan 8.380 nan 0.000 0.467 270 V N 2.076 121.759 119.914 -0.385 0.000 2.313 270 V HA 0.378 4.499 4.120 0.002 0.000 0.278 270 V C -0.465 175.344 176.094 -0.476 0.000 1.017 270 V CA -0.633 61.239 62.300 -0.714 0.000 0.823 270 V CB 1.275 32.573 31.823 -0.875 0.000 1.010 270 V HN 0.110 nan 8.190 nan 0.000 0.443 271 L N 6.380 127.531 121.223 -0.120 0.000 2.319 271 L HA 0.539 4.880 4.340 0.002 0.000 0.281 271 L C -0.972 176.007 176.870 0.181 0.000 1.005 271 L CA -0.530 54.297 54.840 -0.021 0.000 0.828 271 L CB 1.700 43.798 42.059 0.065 0.000 1.227 271 L HN 0.319 nan 8.230 nan 0.000 0.415 272 L N 5.362 126.640 121.223 0.092 0.000 2.384 272 L HA 0.501 4.842 4.340 0.002 0.000 0.261 272 L C -2.323 174.644 176.870 0.162 0.000 1.024 272 L CA -1.669 53.310 54.840 0.232 0.000 0.899 272 L CB 0.889 43.218 42.059 0.450 0.000 1.243 272 L HN 0.252 nan 8.230 nan 0.000 0.449 273 P HA 0.506 nan 4.420 nan 0.000 0.278 273 P C -0.772 176.525 177.300 -0.005 0.000 1.266 273 P CA -0.461 62.617 63.100 -0.036 0.000 0.807 273 P CB 1.199 32.804 31.700 -0.159 0.000 1.094 274 L N 1.642 122.842 121.223 -0.039 0.000 2.431 274 L HA 0.505 4.846 4.340 0.002 0.000 0.266 274 L C -0.449 176.353 176.870 -0.113 0.000 0.978 274 L CA -0.682 54.102 54.840 -0.093 0.000 0.822 274 L CB 2.081 44.135 42.059 -0.008 0.000 1.310 274 L HN 0.277 nan 8.230 nan 0.000 0.409 275 N N 1.897 120.494 118.700 -0.172 0.000 2.272 275 N HA 0.471 5.212 4.740 0.002 0.000 0.305 275 N C -1.341 174.094 175.510 -0.124 0.000 1.103 275 N CA -0.654 52.316 53.050 -0.134 0.000 0.791 275 N CB 2.687 41.084 38.487 -0.150 0.000 1.356 275 N HN 0.650 nan 8.380 nan 0.000 0.486 276 E N 0.529 120.682 120.200 -0.079 0.000 2.336 276 E HA 0.604 4.955 4.350 0.002 0.000 0.267 276 E C -2.984 173.569 176.600 -0.079 0.000 0.906 276 E CA -1.865 54.497 56.400 -0.063 0.000 0.781 276 E CB 2.877 32.556 29.700 -0.034 0.000 1.261 276 E HN 0.169 nan 8.360 nan 0.000 0.436 277 P HA 0.166 nan 4.420 nan 0.000 0.282 277 P C -0.618 176.470 177.300 -0.354 0.000 1.259 277 P CA -0.635 62.347 63.100 -0.195 0.000 0.826 277 P CB 1.405 32.993 31.700 -0.187 0.000 1.064 278 V N 3.382 123.127 119.914 -0.280 0.000 2.357 278 V HA 0.241 4.362 4.120 0.002 0.000 0.284 278 V C 0.723 176.665 176.094 -0.254 0.000 1.018 278 V CA -0.523 61.637 62.300 -0.233 0.000 0.841 278 V CB 0.387 32.171 31.823 -0.066 0.000 0.991 278 V HN 0.597 nan 8.190 nan 0.000 0.437 279 H N 2.472 121.566 119.070 0.041 0.000 2.437 279 H HA 0.429 4.986 4.556 0.002 0.000 0.338 279 H C 1.173 176.521 175.328 0.034 0.000 1.495 279 H CA 0.231 56.302 56.048 0.038 0.000 1.453 279 H CB 0.744 30.526 29.762 0.033 0.000 1.707 279 H HN 0.888 nan 8.280 nan 0.000 0.655 280 G N 1.400 110.312 108.800 0.186 0.000 2.363 280 G HA2 -0.202 3.759 3.960 0.002 0.000 0.286 280 G HA3 -0.202 3.759 3.960 0.002 0.000 0.286 280 G C 0.196 175.141 174.900 0.075 0.000 0.975 280 G CA 0.792 45.953 45.100 0.102 0.000 1.309 280 G HN 0.915 nan 8.290 nan 0.000 0.491 281 T N -2.794 111.804 114.554 0.074 0.000 2.669 281 T HA 0.688 5.039 4.350 0.002 0.000 0.283 281 T C 1.257 175.993 174.700 0.058 0.000 1.019 281 T CA 0.073 62.208 62.100 0.058 0.000 1.039 281 T CB 1.758 70.661 68.868 0.058 0.000 1.374 281 T HN 0.349 nan 8.240 nan 0.000 0.523 282 K N 0.333 120.769 120.400 0.060 0.000 1.978 282 K HA 0.024 4.345 4.320 0.002 0.000 0.221 282 K C 0.716 177.360 176.600 0.073 0.000 1.036 282 K CA 0.776 57.103 56.287 0.066 0.000 0.996 282 K CB -0.033 32.519 32.500 0.087 0.000 0.755 282 K HN 0.449 nan 8.250 nan 0.000 0.445 283 R N 0.576 121.131 120.500 0.092 0.000 2.606 283 R HA 0.232 4.573 4.340 0.002 0.000 0.249 283 R C -0.025 176.331 176.300 0.094 0.000 1.127 283 R CA -0.864 55.285 56.100 0.081 0.000 1.133 283 R CB 0.401 30.745 30.300 0.073 0.000 1.243 283 R HN 0.276 nan 8.270 nan 0.000 0.558 284 R N 0.794 121.348 120.500 0.089 0.000 2.623 284 R HA -0.025 4.316 4.340 0.002 0.000 0.271 284 R C -0.020 176.348 176.300 0.113 0.000 1.043 284 R CA 0.316 56.477 56.100 0.103 0.000 1.083 284 R CB 0.572 30.933 30.300 0.101 0.000 0.974 284 R HN 0.538 nan 8.270 nan 0.000 0.436 285 S N 2.140 117.906 115.700 0.109 0.000 2.537 285 S HA -0.029 4.442 4.470 0.002 0.000 0.286 285 S C 0.920 175.591 174.600 0.118 0.000 1.299 285 S CA -0.415 57.843 58.200 0.098 0.000 1.067 285 S CB 1.046 64.269 63.200 0.038 0.000 0.864 285 S HN 0.655 nan 8.310 nan 0.000 0.494 286 Q N 3.375 123.251 119.800 0.126 0.000 2.500 286 Q HA 0.001 4.342 4.340 0.002 0.000 0.213 286 Q C 1.533 177.629 176.000 0.161 0.000 0.974 286 Q CA 0.656 56.543 55.803 0.139 0.000 0.918 286 Q CB -0.139 28.667 28.738 0.113 0.000 0.980 286 Q HN 0.740 nan 8.270 nan 0.000 0.505 287 I N -0.193 120.446 120.570 0.115 0.000 2.406 287 I HA -0.171 4.000 4.170 0.002 0.000 0.249 287 I C 2.215 178.431 176.117 0.163 0.000 1.122 287 I CA 0.865 62.221 61.300 0.092 0.000 1.431 287 I CB -0.967 37.036 38.000 0.006 0.000 1.087 287 I HN 0.168 nan 8.210 nan 0.000 0.424 288 Q N 1.270 121.158 119.800 0.146 0.000 2.119 288 Q HA -0.130 4.211 4.340 0.002 0.000 0.201 288 Q C 2.155 178.271 176.000 0.194 0.000 0.972 288 Q CA 2.116 58.025 55.803 0.176 0.000 0.847 288 Q CB -0.459 28.388 28.738 0.182 0.000 0.903 288 Q HN 0.401 nan 8.270 nan 0.000 0.433 289 T N 0.448 115.127 114.554 0.208 0.000 2.720 289 T HA -0.153 4.198 4.350 0.002 0.000 0.268 289 T C 1.285 176.190 174.700 0.341 0.000 1.037 289 T CA 1.371 63.622 62.100 0.253 0.000 1.144 289 T CB -0.538 68.483 68.868 0.256 0.000 0.864 289 T HN 0.402 nan 8.240 nan 0.000 0.444 290 F N 1.793 121.852 119.950 0.181 0.000 2.075 290 F HA -0.045 4.483 4.527 0.002 0.000 0.297 290 F C 1.937 177.840 175.800 0.172 0.000 1.113 290 F CA 1.177 59.280 58.000 0.172 0.000 1.218 290 F CB -0.593 38.461 39.000 0.090 0.000 0.984 290 F HN 0.045 nan 8.300 nan 0.000 0.472 291 L N 0.053 121.549 121.223 0.455 0.000 2.042 291 L HA -0.253 4.088 4.340 0.002 0.000 0.210 291 L C 2.238 179.190 176.870 0.136 0.000 1.076 291 L CA 1.533 56.564 54.840 0.317 0.000 0.749 291 L CB -0.958 41.254 42.059 0.253 0.000 0.893 291 L HN 0.135 nan 8.230 nan 0.000 0.432 292 D N -0.713 119.733 120.400 0.077 0.000 2.084 292 D HA -0.183 4.458 4.640 0.002 0.000 0.194 292 D C 2.103 178.321 176.300 -0.137 0.000 0.990 292 D CA 1.646 55.608 54.000 -0.062 0.000 0.826 292 D CB -0.286 40.414 40.800 -0.166 0.000 0.971 292 D HN 0.454 nan 8.370 nan 0.000 0.453 293 H N -1.191 117.873 119.070 -0.010 0.000 2.403 293 H HA 0.012 4.569 4.556 0.002 0.000 0.298 293 H C 2.048 177.330 175.328 -0.078 0.000 1.059 293 H CA 1.004 57.028 56.048 -0.041 0.000 1.363 293 H CB -0.000 29.739 29.762 -0.038 0.000 1.410 293 H HN 0.272 nan 8.280 nan 0.000 0.528 294 H N 0.167 119.130 119.070 -0.179 0.000 2.423 294 H HA -0.035 4.522 4.556 0.002 0.000 0.297 294 H C 0.967 176.301 175.328 0.011 0.000 1.075 294 H CA 1.138 57.034 56.048 -0.253 0.000 1.342 294 H CB 0.098 29.402 29.762 -0.763 0.000 1.395 294 H HN 0.575 nan 8.280 nan 0.000 0.530 295 G N -0.486 108.327 108.800 0.022 0.000 2.164 295 G HA2 -0.008 3.953 3.960 0.002 0.000 0.212 295 G HA3 -0.008 3.953 3.960 0.002 0.000 0.212 295 G C 0.464 175.428 174.900 0.107 0.000 1.031 295 G CA 0.536 45.646 45.100 0.016 0.000 0.730 295 G HN 0.996 nan 8.290 nan 0.000 0.501 296 G N -1.452 107.467 108.800 0.198 0.000 2.315 296 G HA2 0.452 4.413 3.960 0.002 0.000 0.296 296 G HA3 0.452 4.413 3.960 0.002 0.000 0.296 296 G C -3.041 172.062 174.900 0.338 0.000 1.289 296 G CA 0.005 45.242 45.100 0.229 0.000 0.996 296 G HN 0.622 nan 8.290 nan 0.000 0.487 297 P HA 0.538 nan 4.420 nan 0.000 0.272 297 P C 0.494 177.925 177.300 0.218 0.000 1.223 297 P CA 1.079 64.281 63.100 0.171 0.000 0.784 297 P CB 1.301 33.070 31.700 0.116 0.000 0.923 298 G N -0.481 108.340 108.800 0.034 0.000 2.338 298 G HA2 0.284 4.245 3.960 0.002 0.000 0.295 298 G HA3 0.284 4.245 3.960 0.002 0.000 0.295 298 G C -1.533 173.266 174.900 -0.169 0.000 1.461 298 G CA -0.646 44.460 45.100 0.010 0.000 0.817 298 G HN 0.314 nan 8.290 nan 0.000 0.556 299 V N 1.669 121.577 119.914 -0.010 0.000 2.450 299 V HA 0.106 4.227 4.120 0.002 0.000 0.281 299 V C 1.624 177.587 176.094 -0.218 0.000 1.019 299 V CA 0.811 63.053 62.300 -0.095 0.000 1.062 299 V CB 1.180 32.995 31.823 -0.013 0.000 0.979 299 V HN 0.881 nan 8.190 nan 0.000 0.477 300 Q N 4.473 123.999 119.800 -0.457 0.000 2.036 300 Q HA 0.003 4.344 4.340 0.002 0.000 0.195 300 Q C 0.548 176.277 176.000 -0.452 0.000 0.971 300 Q CA 0.971 56.480 55.803 -0.489 0.000 0.826 300 Q CB 0.337 28.738 28.738 -0.562 0.000 0.896 300 Q HN 0.949 nan 8.270 nan 0.000 0.449 301 H N -2.108 116.615 119.070 -0.578 0.000 3.016 301 H HA 0.471 5.028 4.556 0.002 0.000 0.362 301 H C -1.442 173.709 175.328 -0.295 0.000 1.233 301 H CA -1.065 54.592 56.048 -0.651 0.000 1.124 301 H CB 0.937 30.024 29.762 -1.125 0.000 1.850 301 H HN 0.084 nan 8.280 nan 0.000 0.549 302 M N 1.843 121.372 119.600 -0.118 0.000 2.321 302 M HA 0.548 5.029 4.480 0.002 0.000 0.315 302 M C -0.513 175.784 176.300 -0.006 0.000 1.052 302 M CA -0.881 54.356 55.300 -0.104 0.000 0.936 302 M CB 2.401 35.042 32.600 0.070 0.000 1.639 302 M HN 0.737 nan 8.290 nan 0.000 0.433 303 A N 5.119 127.824 122.820 -0.192 0.000 2.252 303 A HA 0.778 5.099 4.320 0.002 0.000 0.309 303 A C -0.750 176.801 177.584 -0.054 0.000 1.285 303 A CA -0.596 51.328 52.037 -0.188 0.000 0.900 303 A CB 0.210 18.793 19.000 -0.696 0.000 1.157 303 A HN 0.897 nan 8.150 nan 0.000 0.536 304 L N 2.596 123.816 121.223 -0.004 0.000 2.305 304 L HA 0.674 5.015 4.340 0.002 0.000 0.284 304 L C 0.517 177.381 176.870 -0.011 0.000 1.013 304 L CA -0.543 54.285 54.840 -0.020 0.000 0.819 304 L CB 1.683 43.739 42.059 -0.006 0.000 1.227 304 L HN 0.709 nan 8.230 nan 0.000 0.417 305 A N 2.414 125.227 122.820 -0.012 0.000 2.310 305 A HA 0.687 5.008 4.320 0.002 0.000 0.299 305 A C -0.087 177.499 177.584 0.003 0.000 1.147 305 A CA -0.285 51.756 52.037 0.007 0.000 0.818 305 A CB 1.405 20.421 19.000 0.027 0.000 1.096 305 A HN 0.632 nan 8.150 nan 0.000 0.495 306 S N -0.070 115.637 115.700 0.011 0.000 2.568 306 S HA 0.461 4.932 4.470 0.002 0.000 0.293 306 S C -0.421 174.187 174.600 0.015 0.000 1.089 306 S CA -0.650 57.559 58.200 0.016 0.000 0.945 306 S CB 1.326 64.540 63.200 0.022 0.000 1.077 306 S HN 0.601 nan 8.310 nan 0.000 0.485 307 D N 1.483 121.893 120.400 0.017 0.000 2.349 307 D HA 0.202 4.843 4.640 0.002 0.000 0.214 307 D C -0.476 175.831 176.300 0.011 0.000 1.063 307 D CA 0.412 54.421 54.000 0.014 0.000 0.847 307 D CB 0.357 41.167 40.800 0.018 0.000 0.933 307 D HN 0.543 nan 8.370 nan 0.000 0.513 308 D N 0.528 120.935 120.400 0.011 0.000 3.285 308 D HA -0.032 4.609 4.640 0.002 0.000 0.273 308 D C 1.075 177.377 176.300 0.003 0.000 1.295 308 D CA -0.268 53.736 54.000 0.006 0.000 0.762 308 D CB 0.180 40.986 40.800 0.009 0.000 1.379 308 D HN -0.255 nan 8.370 nan 0.000 0.612 309 V N 1.537 121.450 119.914 -0.001 0.000 2.453 309 V HA -0.230 3.891 4.120 0.002 0.000 0.252 309 V C 1.930 178.006 176.094 -0.030 0.000 1.068 309 V CA 1.466 63.760 62.300 -0.009 0.000 1.070 309 V CB -0.218 31.597 31.823 -0.014 0.000 0.664 309 V HN 0.466 nan 8.190 nan 0.000 0.461 310 L N -0.081 121.122 121.223 -0.032 0.000 2.056 310 L HA -0.145 4.196 4.340 0.002 0.000 0.207 310 L C 2.541 179.377 176.870 -0.057 0.000 1.078 310 L CA 2.482 57.291 54.840 -0.052 0.000 0.749 310 L CB -1.813 40.220 42.059 -0.043 0.000 0.901 310 L HN 0.406 nan 8.230 nan 0.000 0.433 311 R N -0.298 120.180 120.500 -0.036 0.000 2.075 311 R HA -0.134 4.207 4.340 0.002 0.000 0.232 311 R C 2.226 178.501 176.300 -0.041 0.000 1.126 311 R CA 1.875 57.953 56.100 -0.037 0.000 0.963 311 R CB -0.109 30.183 30.300 -0.015 0.000 0.858 311 R HN 0.255 nan 8.270 nan 0.000 0.435 312 T N 1.542 116.091 114.554 -0.008 0.000 2.684 312 T HA -0.124 4.227 4.350 0.002 0.000 0.267 312 T C 1.776 176.467 174.700 -0.015 0.000 1.036 312 T CA 1.531 63.650 62.100 0.032 0.000 1.148 312 T CB -0.147 68.761 68.868 0.067 0.000 0.863 312 T HN 0.181 nan 8.240 nan 0.000 0.436 313 L N 0.155 121.334 121.223 -0.073 0.000 2.131 313 L HA -0.039 4.302 4.340 0.002 0.000 0.210 313 L C 2.883 179.636 176.870 -0.194 0.000 1.092 313 L CA 1.170 55.902 54.840 -0.179 0.000 0.759 313 L CB -0.409 41.481 42.059 -0.280 0.000 0.903 313 L HN 0.135 nan 8.230 nan 0.000 0.435 314 R N -0.179 120.229 120.500 -0.154 0.000 2.081 314 R HA -0.155 4.186 4.340 0.002 0.000 0.235 314 R C 2.291 178.491 176.300 -0.167 0.000 1.131 314 R CA 1.255 57.268 56.100 -0.145 0.000 0.960 314 R CB 0.007 30.238 30.300 -0.115 0.000 0.856 314 R HN 0.343 nan 8.270 nan 0.000 0.436 315 E N 0.166 120.225 120.200 -0.236 0.000 2.051 315 E HA -0.216 4.135 4.350 0.002 0.000 0.192 315 E C 2.028 178.398 176.600 -0.384 0.000 0.991 315 E CA 1.366 57.489 56.400 -0.461 0.000 0.799 315 E CB -0.168 29.001 29.700 -0.884 0.000 0.748 315 E HN 0.426 nan 8.360 nan 0.000 0.449 316 M N 0.683 120.194 119.600 -0.149 0.000 2.067 316 M HA -0.180 4.301 4.480 0.002 0.000 0.260 316 M C 2.354 178.767 176.300 0.189 0.000 1.069 316 M CA 1.512 56.901 55.300 0.147 0.000 1.117 316 M CB -0.308 32.532 32.600 0.400 0.000 1.334 316 M HN 0.024 nan 8.290 nan 0.000 0.407 317 Q N -0.050 119.805 119.800 0.092 0.000 2.226 317 Q HA -0.127 4.214 4.340 0.002 0.000 0.204 317 Q C 2.161 178.196 176.000 0.058 0.000 0.975 317 Q CA 1.372 57.239 55.803 0.107 0.000 0.866 317 Q CB -0.321 28.375 28.738 -0.070 0.000 0.915 317 Q HN 0.583 nan 8.270 nan 0.000 0.440 318 A N 1.037 123.852 122.820 -0.009 0.000 1.972 318 A HA -0.169 4.152 4.320 0.002 0.000 0.219 318 A C 1.830 179.422 177.584 0.014 0.000 1.169 318 A CA 1.309 53.332 52.037 -0.024 0.000 0.635 318 A CB -0.118 18.833 19.000 -0.082 0.000 0.810 318 A HN 0.130 nan 8.150 nan 0.000 0.446 319 R N -0.506 120.028 120.500 0.057 0.000 2.334 319 R HA 0.222 4.563 4.340 0.002 0.000 0.216 319 R C 1.947 178.308 176.300 0.102 0.000 0.905 319 R CA 0.639 56.801 56.100 0.103 0.000 1.064 319 R CB -0.045 30.389 30.300 0.223 0.000 1.046 319 R HN 0.434 nan 8.270 nan 0.000 0.508 320 S N 0.802 116.561 115.700 0.098 0.000 2.370 320 S HA -0.215 4.256 4.470 0.002 0.000 0.226 320 S C 2.048 176.676 174.600 0.048 0.000 1.033 320 S CA 1.495 59.743 58.200 0.080 0.000 1.011 320 S CB -0.204 63.077 63.200 0.135 0.000 0.852 320 S HN 0.514 nan 8.310 nan 0.000 0.457 321 A N 0.648 123.495 122.820 0.044 0.000 2.019 321 A HA 0.078 4.399 4.320 0.002 0.000 0.219 321 A C 1.431 179.025 177.584 0.017 0.000 1.164 321 A CA 1.114 53.167 52.037 0.026 0.000 0.644 321 A CB -0.198 18.812 19.000 0.017 0.000 0.805 321 A HN 0.386 nan 8.150 nan 0.000 0.449 322 M N -0.711 118.901 119.600 0.020 0.000 3.076 322 M HA 0.296 4.777 4.480 0.002 0.000 0.296 322 M C 1.006 177.332 176.300 0.043 0.000 1.185 322 M CA 0.392 55.692 55.300 0.000 0.000 0.932 322 M CB -0.303 32.267 32.600 -0.050 0.000 1.288 322 M HN 0.689 nan 8.290 nan 0.000 0.536 323 G N -0.524 108.317 108.800 0.069 0.000 2.179 323 G HA2 -0.173 3.788 3.960 0.002 0.000 0.220 323 G HA3 -0.173 3.788 3.960 0.002 0.000 0.220 323 G C 0.481 175.400 174.900 0.030 0.000 0.990 323 G CA -0.154 45.015 45.100 0.115 0.000 0.646 323 G HN 0.673 nan 8.290 nan 0.000 0.517 324 G N -0.567 108.237 108.800 0.006 0.000 2.489 324 G HA2 0.581 4.542 3.960 0.002 0.000 0.271 324 G HA3 0.581 4.542 3.960 0.002 0.000 0.271 324 G C -0.091 174.498 174.900 -0.518 0.000 1.427 324 G CA -0.763 44.144 45.100 -0.322 0.000 1.057 324 G HN 0.331 nan 8.290 nan 0.000 0.532 325 F N -0.279 119.567 119.950 -0.174 0.000 2.397 325 F HA 0.405 4.933 4.527 0.002 0.000 0.331 325 F C 0.763 176.376 175.800 -0.313 0.000 1.090 325 F CA -0.511 57.307 58.000 -0.303 0.000 1.065 325 F CB 1.687 40.410 39.000 -0.462 0.000 1.184 325 F HN 0.286 nan 8.300 nan 0.000 0.499 326 E N 1.514 121.632 120.200 -0.137 0.000 2.212 326 E HA 0.481 4.832 4.350 0.002 0.000 0.270 326 E C -1.356 175.024 176.600 -0.366 0.000 0.956 326 E CA -0.724 55.606 56.400 -0.117 0.000 0.825 326 E CB 1.827 31.513 29.700 -0.023 0.000 1.167 326 E HN 0.334 nan 8.360 nan 0.000 0.400 327 F N 0.564 120.524 119.950 0.016 0.000 2.541 327 F HA 0.378 4.905 4.527 0.002 0.000 0.331 327 F C 0.521 176.292 175.800 -0.048 0.000 1.057 327 F CA -1.312 56.687 58.000 -0.001 0.000 0.975 327 F CB 0.865 39.873 39.000 0.013 0.000 1.246 327 F HN 0.121 nan 8.300 nan 0.000 0.484 328 M N 1.703 121.379 119.600 0.127 0.000 2.245 328 M HA 0.230 4.711 4.480 0.002 0.000 0.344 328 M C 0.214 176.536 176.300 0.037 0.000 1.170 328 M CA -0.406 54.889 55.300 -0.009 0.000 1.135 328 M CB 0.267 32.852 32.600 -0.025 0.000 1.574 328 M HN 0.698 nan 8.290 nan 0.000 0.452 329 A N 5.316 128.133 122.820 -0.005 0.000 2.540 329 A HA 0.345 4.666 4.320 0.002 0.000 0.239 329 A C -2.056 175.548 177.584 0.033 0.000 1.061 329 A CA -0.790 51.262 52.037 0.025 0.000 0.758 329 A CB -1.141 17.871 19.000 0.021 0.000 0.991 329 A HN 0.536 nan 8.150 nan 0.000 0.502 330 P HA 0.202 nan 4.420 nan 0.000 0.268 330 P C -2.126 175.234 177.300 0.101 0.000 1.205 330 P CA -0.715 62.449 63.100 0.107 0.000 0.771 330 P CB -0.004 31.772 31.700 0.127 0.000 0.858 331 P HA 0.035 nan 4.420 nan 0.000 0.275 331 P C -0.218 177.174 177.300 0.154 0.000 1.270 331 P CA -0.117 62.968 63.100 -0.024 0.000 0.791 331 P CB 0.027 31.501 31.700 -0.376 0.000 1.089 332 T N -3.597 111.030 114.554 0.122 0.000 2.828 332 T HA 0.112 4.463 4.350 0.002 0.000 0.290 332 T C 1.537 176.398 174.700 0.267 0.000 1.019 332 T CA 0.038 62.239 62.100 0.168 0.000 1.031 332 T CB -0.186 68.746 68.868 0.105 0.000 1.001 332 T HN 0.443 nan 8.240 nan 0.000 0.531 333 S N 0.774 116.615 115.700 0.235 0.000 2.423 333 S HA -0.244 4.227 4.470 0.002 0.000 0.238 333 S C 1.463 176.182 174.600 0.198 0.000 1.028 333 S CA 1.491 59.837 58.200 0.243 0.000 1.000 333 S CB -0.867 62.415 63.200 0.136 0.000 0.797 333 S HN 0.889 nan 8.310 nan 0.000 0.487 334 D N 0.577 121.062 120.400 0.142 0.000 2.117 334 D HA -0.215 4.426 4.640 0.002 0.000 0.198 334 D C 1.867 178.207 176.300 0.068 0.000 0.982 334 D CA 1.344 55.398 54.000 0.091 0.000 0.828 334 D CB -0.795 40.050 40.800 0.074 0.000 0.967 334 D HN 0.579 nan 8.370 nan 0.000 0.464 335 Y N 1.218 121.491 120.300 -0.046 0.000 2.151 335 Y HA -0.317 4.234 4.550 0.002 0.000 0.284 335 Y C 2.082 177.851 175.900 -0.218 0.000 1.166 335 Y CA 1.552 59.548 58.100 -0.174 0.000 1.163 335 Y CB -0.614 37.652 38.460 -0.324 0.000 0.974 335 Y HN -0.143 nan 8.280 nan 0.000 0.511 336 Y N 0.393 120.696 120.300 0.004 0.000 2.314 336 Y HA -0.155 4.396 4.550 0.002 0.000 0.293 336 Y C 2.275 178.114 175.900 -0.103 0.000 1.129 336 Y CA 1.416 59.467 58.100 -0.082 0.000 1.201 336 Y CB -0.575 37.919 38.460 0.057 0.000 0.999 336 Y HN 0.169 nan 8.280 nan 0.000 0.541 337 D N -0.742 119.696 120.400 0.063 0.000 2.144 337 D HA -0.136 4.505 4.640 0.002 0.000 0.199 337 D C 2.398 178.671 176.300 -0.045 0.000 0.984 337 D CA 1.442 55.456 54.000 0.022 0.000 0.834 337 D CB -0.632 40.185 40.800 0.027 0.000 0.955 337 D HN 0.425 nan 8.370 nan 0.000 0.465 338 G N 0.363 109.089 108.800 -0.123 0.000 2.408 338 G HA2 -0.159 3.802 3.960 0.002 0.000 0.217 338 G HA3 -0.159 3.802 3.960 0.002 0.000 0.217 338 G C 1.827 176.594 174.900 -0.222 0.000 1.150 338 G CA 0.426 45.420 45.100 -0.177 0.000 0.776 338 G HN 0.235 nan 8.290 nan 0.000 0.542 339 V N 0.530 120.256 119.914 -0.313 0.000 2.453 339 V HA -0.105 4.016 4.120 0.002 0.000 0.247 339 V C 2.869 178.917 176.094 -0.077 0.000 1.048 339 V CA 1.589 63.757 62.300 -0.220 0.000 1.049 339 V CB -0.428 31.277 31.823 -0.196 0.000 0.672 339 V HN 0.299 nan 8.190 nan 0.000 0.457 340 R N 0.664 121.141 120.500 -0.038 0.000 2.103 340 R HA -0.222 4.119 4.340 0.002 0.000 0.242 340 R C 2.452 178.739 176.300 -0.021 0.000 1.142 340 R CA 2.180 58.274 56.100 -0.011 0.000 0.960 340 R CB -0.392 29.910 30.300 0.004 0.000 0.858 340 R HN 0.645 nan 8.270 nan 0.000 0.439 341 R N -0.096 120.384 120.500 -0.034 0.000 2.210 341 R HA 0.056 4.397 4.340 0.002 0.000 0.203 341 R C 2.062 178.343 176.300 -0.032 0.000 1.010 341 R CA 0.588 56.671 56.100 -0.028 0.000 1.008 341 R CB -0.182 30.103 30.300 -0.025 0.000 0.923 341 R HN 0.057 nan 8.270 nan 0.000 0.469 342 R N 0.901 121.370 120.500 -0.051 0.000 2.115 342 R HA 0.050 4.391 4.340 0.002 0.000 0.226 342 R C 0.283 176.566 176.300 -0.029 0.000 1.100 342 R CA 1.443 57.516 56.100 -0.045 0.000 0.980 342 R CB 0.226 30.482 30.300 -0.074 0.000 0.875 342 R HN 0.331 nan 8.270 nan 0.000 0.445 343 A N -1.124 121.679 122.820 -0.028 0.000 3.019 343 A HA 0.261 4.582 4.320 0.002 0.000 0.202 343 A C 0.600 178.177 177.584 -0.010 0.000 0.924 343 A CA -0.016 52.011 52.037 -0.016 0.000 1.156 343 A CB 0.290 19.284 19.000 -0.010 0.000 1.265 343 A HN 0.348 nan 8.150 nan 0.000 0.526 344 G N 0.870 109.663 108.800 -0.011 0.000 2.509 344 G HA2 -0.161 3.800 3.960 0.002 0.000 0.218 344 G HA3 -0.161 3.800 3.960 0.002 0.000 0.218 344 G C 1.104 176.000 174.900 -0.007 0.000 1.124 344 G CA 1.362 46.458 45.100 -0.007 0.000 0.776 344 G HN 0.715 nan 8.290 nan 0.000 0.547 345 D N 0.345 120.739 120.400 -0.009 0.000 2.224 345 D HA -0.065 4.576 4.640 0.002 0.000 0.205 345 D C 2.137 178.431 176.300 -0.009 0.000 0.965 345 D CA 0.710 54.704 54.000 -0.009 0.000 0.852 345 D CB -0.199 40.594 40.800 -0.011 0.000 0.947 345 D HN 0.279 nan 8.370 nan 0.000 0.494 346 V N 0.537 120.446 119.914 -0.008 0.000 2.795 346 V HA 0.128 4.249 4.120 0.002 0.000 0.243 346 V C 1.424 177.515 176.094 -0.005 0.000 1.069 346 V CA 0.306 62.601 62.300 -0.008 0.000 1.089 346 V CB 0.162 31.980 31.823 -0.009 0.000 0.756 346 V HN 0.100 nan 8.190 nan 0.000 0.471 347 L N 0.853 122.075 121.223 -0.001 0.000 2.334 347 L HA 0.460 4.801 4.340 0.002 0.000 0.275 347 L C 0.472 177.341 176.870 -0.001 0.000 1.036 347 L CA -0.252 54.589 54.840 0.001 0.000 0.807 347 L CB 1.749 43.815 42.059 0.011 0.000 1.231 347 L HN 0.244 nan 8.230 nan 0.000 0.438 348 T N -2.618 111.934 114.554 -0.004 0.000 2.909 348 T HA 0.144 4.495 4.350 0.002 0.000 0.286 348 T C 0.796 175.491 174.700 -0.009 0.000 1.002 348 T CA -0.668 61.428 62.100 -0.007 0.000 1.074 348 T CB 1.688 70.551 68.868 -0.010 0.000 0.984 348 T HN 0.658 nan 8.240 nan 0.000 0.495 349 E N 2.190 122.384 120.200 -0.010 0.000 2.187 349 E HA -0.206 4.145 4.350 0.002 0.000 0.199 349 E C 2.053 178.639 176.600 -0.023 0.000 1.004 349 E CA 2.008 58.399 56.400 -0.014 0.000 0.813 349 E CB -0.795 28.898 29.700 -0.012 0.000 0.736 349 E HN 0.845 nan 8.360 nan 0.000 0.468 350 A N -0.071 122.736 122.820 -0.022 0.000 1.898 350 A HA -0.187 4.134 4.320 0.002 0.000 0.216 350 A C 2.152 179.716 177.584 -0.034 0.000 1.181 350 A CA 1.587 53.607 52.037 -0.028 0.000 0.620 350 A CB -0.455 18.531 19.000 -0.023 0.000 0.819 350 A HN 0.368 nan 8.150 nan 0.000 0.442 351 Q N -0.513 119.272 119.800 -0.025 0.000 2.049 351 Q HA 0.014 4.355 4.340 0.002 0.000 0.198 351 Q C 1.976 177.960 176.000 -0.026 0.000 0.971 351 Q CA 1.328 57.117 55.803 -0.023 0.000 0.833 351 Q CB -0.254 28.477 28.738 -0.012 0.000 0.896 351 Q HN 0.684 nan 8.270 nan 0.000 0.434 352 I N 0.901 121.461 120.570 -0.016 0.000 2.530 352 I HA -0.285 3.886 4.170 0.002 0.000 0.257 352 I C 2.363 178.431 176.117 -0.083 0.000 1.179 352 I CA 1.116 62.412 61.300 -0.006 0.000 1.440 352 I CB -0.179 37.832 38.000 0.018 0.000 1.087 352 I HN 0.185 nan 8.210 nan 0.000 0.440 353 K N 0.945 121.291 120.400 -0.090 0.000 2.186 353 K HA -0.178 4.143 4.320 0.002 0.000 0.202 353 K C 2.006 178.516 176.600 -0.151 0.000 1.052 353 K CA 0.856 57.062 56.287 -0.134 0.000 0.965 353 K CB 0.188 32.636 32.500 -0.086 0.000 0.746 353 K HN 0.149 nan 8.250 nan 0.000 0.457 354 E N 0.330 120.467 120.200 -0.106 0.000 2.077 354 E HA -0.184 4.167 4.350 0.002 0.000 0.193 354 E C 1.746 178.273 176.600 -0.121 0.000 0.989 354 E CA 1.709 58.050 56.400 -0.098 0.000 0.800 354 E CB -0.175 29.485 29.700 -0.067 0.000 0.746 354 E HN 0.336 nan 8.360 nan 0.000 0.452 355 C N 0.687 119.923 119.300 -0.106 0.000 2.413 355 C HA -0.152 4.309 4.460 0.002 0.000 0.276 355 C C 2.741 177.604 174.990 -0.211 0.000 1.248 355 C CA 1.323 60.301 59.018 -0.066 0.000 1.742 355 C CB -1.064 26.721 27.740 0.075 0.000 2.017 355 C HN 0.622 nan 8.230 nan 0.000 0.481 356 Q N 0.578 120.038 119.800 -0.566 0.000 2.123 356 Q HA -0.172 4.169 4.340 0.002 0.000 0.199 356 Q C 2.239 178.031 176.000 -0.346 0.000 0.966 356 Q CA 1.294 56.537 55.803 -0.933 0.000 0.845 356 Q CB -0.236 27.857 28.738 -1.075 0.000 0.907 356 Q HN 0.704 nan 8.270 nan 0.000 0.439 357 E N -0.032 120.029 120.200 -0.232 0.000 2.150 357 E HA -0.158 4.193 4.350 0.002 0.000 0.193 357 E C 1.757 178.293 176.600 -0.106 0.000 0.985 357 E CA 0.874 57.193 56.400 -0.135 0.000 0.814 357 E CB 0.102 29.735 29.700 -0.112 0.000 0.752 357 E HN 0.439 nan 8.360 nan 0.000 0.466 358 L N -1.285 119.869 121.223 -0.116 0.000 2.416 358 L HA 0.180 4.521 4.340 0.002 0.000 0.216 358 L C 1.469 178.284 176.870 -0.091 0.000 1.098 358 L CA 0.562 55.325 54.840 -0.128 0.000 0.840 358 L CB 0.418 42.383 42.059 -0.157 0.000 0.981 358 L HN 0.335 nan 8.230 nan 0.000 0.462 359 G N 0.843 109.639 108.800 -0.006 0.000 2.130 359 G HA2 -0.227 3.734 3.960 0.002 0.000 0.216 359 G HA3 -0.227 3.734 3.960 0.002 0.000 0.216 359 G C 0.217 175.201 174.900 0.141 0.000 0.999 359 G CA 0.092 45.258 45.100 0.109 0.000 0.686 359 G HN 0.222 nan 8.290 nan 0.000 0.515 360 V N -0.583 119.412 119.914 0.136 0.000 2.649 360 V HA 0.804 4.925 4.120 0.002 0.000 0.292 360 V C 0.762 177.005 176.094 0.249 0.000 1.055 360 V CA -0.898 61.474 62.300 0.120 0.000 1.023 360 V CB 1.300 33.151 31.823 0.048 0.000 0.992 360 V HN 0.402 nan 8.190 nan 0.000 0.480 361 L N 4.795 126.115 121.223 0.161 0.000 2.360 361 L HA 0.702 5.043 4.340 0.002 0.000 0.271 361 L C -0.475 176.535 176.870 0.233 0.000 1.057 361 L CA -0.827 54.153 54.840 0.233 0.000 0.803 361 L CB 1.753 43.885 42.059 0.122 0.000 1.207 361 L HN 0.515 nan 8.230 nan 0.000 0.445 362 V N 0.748 120.830 119.914 0.282 0.000 2.483 362 V HA 0.407 4.528 4.120 0.002 0.000 0.297 362 V C -0.718 175.450 176.094 0.124 0.000 1.027 362 V CA -0.544 61.849 62.300 0.155 0.000 0.855 362 V CB 1.775 33.665 31.823 0.112 0.000 0.995 362 V HN 0.668 nan 8.190 nan 0.000 0.424 363 D N 3.167 123.629 120.400 0.102 0.000 2.414 363 D HA 0.688 5.329 4.640 0.002 0.000 0.241 363 D C -0.597 175.736 176.300 0.055 0.000 1.008 363 D CA -0.583 53.474 54.000 0.094 0.000 1.001 363 D CB 2.782 43.658 40.800 0.128 0.000 1.277 363 D HN 0.555 nan 8.370 nan 0.000 0.538 364 R N 0.418 120.946 120.500 0.046 0.000 2.734 364 R HA 0.446 4.787 4.340 0.002 0.000 0.271 364 R C -1.877 174.427 176.300 0.008 0.000 1.021 364 R CA -0.487 55.623 56.100 0.017 0.000 0.893 364 R CB 1.642 31.945 30.300 0.005 0.000 1.244 364 R HN 0.620 nan 8.270 nan 0.000 0.464 365 D N -0.440 119.946 120.400 -0.024 0.000 2.713 365 D HA 0.112 4.753 4.640 0.002 0.000 0.306 365 D C -0.428 175.808 176.300 -0.107 0.000 1.299 365 D CA -0.558 53.406 54.000 -0.060 0.000 0.823 365 D CB 0.123 40.887 40.800 -0.059 0.000 1.353 365 D HN 0.460 nan 8.370 nan 0.000 0.447 366 D N -0.834 119.451 120.400 -0.191 0.000 2.357 366 D HA -0.102 4.539 4.640 0.002 0.000 0.216 366 D C 1.092 177.288 176.300 -0.174 0.000 0.973 366 D CA 1.783 55.649 54.000 -0.223 0.000 0.912 366 D CB 0.047 40.599 40.800 -0.413 0.000 0.900 366 D HN 0.545 nan 8.370 nan 0.000 0.501 367 Q N -1.768 117.947 119.800 -0.143 0.000 2.081 367 Q HA 0.360 4.701 4.340 0.002 0.000 0.220 367 Q C 0.580 176.539 176.000 -0.068 0.000 0.775 367 Q CA -0.241 55.502 55.803 -0.100 0.000 0.983 367 Q CB 1.315 29.994 28.738 -0.098 0.000 1.188 367 Q HN 0.078 nan 8.270 nan 0.000 0.458 368 G N 0.220 108.984 108.800 -0.059 0.000 2.451 368 G HA2 0.438 4.399 3.960 0.002 0.000 0.292 368 G HA3 0.438 4.399 3.960 0.002 0.000 0.292 368 G C -1.852 173.031 174.900 -0.029 0.000 1.427 368 G CA -0.509 44.566 45.100 -0.042 0.000 0.792 368 G HN 0.004 nan 8.290 nan 0.000 0.498 369 V N 0.284 120.185 119.914 -0.021 0.000 2.513 369 V HA 0.724 4.845 4.120 0.002 0.000 0.299 369 V C -0.560 175.532 176.094 -0.004 0.000 1.035 369 V CA -0.754 61.541 62.300 -0.008 0.000 0.889 369 V CB 1.484 33.305 31.823 -0.004 0.000 0.988 369 V HN 0.807 nan 8.190 nan 0.000 0.440 370 L N 5.846 127.075 121.223 0.010 0.000 2.349 370 L HA 0.682 5.023 4.340 0.002 0.000 0.278 370 L C -1.153 175.735 176.870 0.031 0.000 0.996 370 L CA -0.135 54.712 54.840 0.011 0.000 0.825 370 L CB 1.373 43.437 42.059 0.009 0.000 1.243 370 L HN 0.487 nan 8.230 nan 0.000 0.412 371 L N 5.459 126.693 121.223 0.019 0.000 2.282 371 L HA 0.649 4.990 4.340 0.002 0.000 0.288 371 L C -0.251 176.616 176.870 -0.005 0.000 1.033 371 L CA 0.161 55.016 54.840 0.025 0.000 0.807 371 L CB 1.560 43.630 42.059 0.019 0.000 1.209 371 L HN 0.777 nan 8.230 nan 0.000 0.423 372 Q N 3.555 123.343 119.800 -0.021 0.000 2.418 372 Q HA 0.840 5.181 4.340 0.002 0.000 0.282 372 Q C -1.452 174.435 176.000 -0.189 0.000 1.044 372 Q CA -0.813 54.910 55.803 -0.133 0.000 0.813 372 Q CB 2.939 31.574 28.738 -0.172 0.000 1.428 372 Q HN 0.557 nan 8.270 nan 0.000 0.402 373 I N 1.312 121.692 120.570 -0.317 0.000 2.918 373 I HA 0.586 4.757 4.170 0.002 0.000 0.301 373 I C -1.892 174.043 176.117 -0.304 0.000 1.312 373 I CA -1.116 60.063 61.300 -0.202 0.000 1.007 373 I CB 2.028 40.014 38.000 -0.023 0.000 1.281 373 I HN 0.733 nan 8.210 nan 0.000 0.440 374 F N 3.369 123.411 119.950 0.153 0.000 2.520 374 F HA 0.509 5.037 4.527 0.002 0.000 0.322 374 F C 0.603 176.437 175.800 0.056 0.000 1.103 374 F CA -0.555 57.505 58.000 0.100 0.000 0.926 374 F CB 2.178 41.144 39.000 -0.056 0.000 1.154 374 F HN 0.400 nan 8.300 nan 0.000 0.453 375 T N -0.598 114.034 114.554 0.129 0.000 2.847 375 T HA 0.455 4.806 4.350 0.002 0.000 0.279 375 T C 0.012 174.633 174.700 -0.132 0.000 0.984 375 T CA -1.001 60.969 62.100 -0.217 0.000 0.988 375 T CB 0.996 69.627 68.868 -0.394 0.000 1.040 375 T HN 0.488 nan 8.240 nan 0.000 0.528 376 K N 1.241 121.530 120.400 -0.184 0.000 2.120 376 K HA 0.314 4.635 4.320 0.002 0.000 0.245 376 K C -2.450 174.128 176.600 -0.037 0.000 1.024 376 K CA -1.771 54.420 56.287 -0.159 0.000 0.906 376 K CB -0.110 32.296 32.500 -0.156 0.000 1.051 376 K HN 0.425 nan 8.250 nan 0.000 0.491 377 P HA -0.125 nan 4.420 nan 0.000 0.263 377 P C 0.517 177.891 177.300 0.123 0.000 1.175 377 P CA 0.182 63.361 63.100 0.132 0.000 0.761 377 P CB 0.365 32.133 31.700 0.113 0.000 0.794 378 V N 1.011 121.018 119.914 0.155 0.000 3.541 378 V HA 0.261 4.382 4.120 0.002 0.000 0.267 378 V C 0.878 177.134 176.094 0.270 0.000 1.213 378 V CA 1.370 63.780 62.300 0.183 0.000 1.149 378 V CB -0.754 31.115 31.823 0.078 0.000 0.822 378 V HN 0.566 nan 8.190 nan 0.000 0.462 379 G N -0.540 108.395 108.800 0.225 0.000 3.217 379 G HA2 0.390 4.351 3.960 0.002 0.000 0.213 379 G HA3 0.390 4.351 3.960 0.002 0.000 0.213 379 G C -0.228 174.759 174.900 0.144 0.000 1.294 379 G CA 0.266 45.492 45.100 0.211 0.000 0.987 379 G HN 0.078 nan 8.290 nan 0.000 0.584 380 D N -0.184 120.288 120.400 0.121 0.000 2.277 380 D HA 0.067 4.708 4.640 0.002 0.000 0.208 380 D C 1.015 177.346 176.300 0.051 0.000 0.962 380 D CA 0.672 54.721 54.000 0.081 0.000 0.865 380 D CB 0.316 41.161 40.800 0.074 0.000 0.939 380 D HN 0.188 nan 8.370 nan 0.000 0.510 381 R N 0.445 120.976 120.500 0.052 0.000 2.720 381 R HA 0.345 4.686 4.340 0.002 0.000 0.272 381 R C -2.250 174.043 176.300 -0.012 0.000 0.991 381 R CA -1.678 54.415 56.100 -0.012 0.000 1.010 381 R CB 1.040 31.340 30.300 0.001 0.000 1.141 381 R HN -0.157 nan 8.270 nan 0.000 0.494 382 P HA 0.000 nan 4.420 nan 0.000 0.226 382 P C -0.177 177.169 177.300 0.077 0.000 1.783 382 P CA 0.215 63.301 63.100 -0.023 0.000 0.980 382 P CB 0.246 31.880 31.700 -0.110 0.000 1.967 383 T N -1.176 113.454 114.554 0.127 0.000 3.518 383 T HA 0.158 4.509 4.350 0.002 0.000 0.211 383 T C 0.505 175.480 174.700 0.459 0.000 0.940 383 T CA -0.160 62.048 62.100 0.180 0.000 1.307 383 T CB -0.648 68.114 68.868 -0.178 0.000 1.392 383 T HN 0.083 nan 8.240 nan 0.000 0.382 384 L N 3.257 124.676 121.223 0.327 0.000 2.380 384 L HA 0.589 4.930 4.340 0.002 0.000 0.273 384 L C -0.835 176.210 176.870 0.293 0.000 1.138 384 L CA -0.864 54.136 54.840 0.267 0.000 0.832 384 L CB -0.178 42.015 42.059 0.224 0.000 1.124 384 L HN 0.579 nan 8.230 nan 0.000 0.454 385 F N 3.139 123.181 119.950 0.152 0.000 2.754 385 F HA 0.809 5.337 4.527 0.002 0.000 0.320 385 F C -1.604 174.256 175.800 0.101 0.000 1.156 385 F CA -1.393 56.650 58.000 0.072 0.000 0.950 385 F CB 0.948 39.971 39.000 0.039 0.000 1.388 385 F HN 0.301 nan 8.300 nan 0.000 0.485 386 L N 0.604 121.981 121.223 0.256 0.000 2.301 386 L HA 0.639 4.980 4.340 0.002 0.000 0.264 386 L C -1.099 175.967 176.870 0.327 0.000 1.016 386 L CA -0.828 54.102 54.840 0.151 0.000 0.821 386 L CB 2.208 44.226 42.059 -0.069 0.000 1.346 386 L HN 0.823 nan 8.230 nan 0.000 0.429 387 E N 1.214 121.539 120.200 0.208 0.000 2.256 387 E HA 0.576 4.927 4.350 0.002 0.000 0.268 387 E C -1.758 174.834 176.600 -0.013 0.000 0.877 387 E CA -0.668 55.758 56.400 0.043 0.000 0.757 387 E CB 2.093 31.827 29.700 0.055 0.000 1.183 387 E HN 0.390 nan 8.360 nan 0.000 0.418 388 I N 6.122 126.663 120.570 -0.049 0.000 2.378 388 I HA 0.401 4.572 4.170 0.002 0.000 0.291 388 I C -0.160 175.925 176.117 -0.053 0.000 0.992 388 I CA -0.612 60.687 61.300 -0.003 0.000 1.154 388 I CB 1.372 39.419 38.000 0.079 0.000 1.315 388 I HN 0.433 nan 8.210 nan 0.000 0.448 389 I N 2.682 123.237 120.570 -0.025 0.000 3.354 389 I HA 0.664 4.835 4.170 0.002 0.000 0.316 389 I C -1.513 174.602 176.117 -0.003 0.000 1.182 389 I CA -0.905 60.381 61.300 -0.022 0.000 0.942 389 I CB 2.034 40.031 38.000 -0.005 0.000 1.299 389 I HN 0.746 nan 8.210 nan 0.000 0.473 390 Q N 1.609 121.408 119.800 -0.003 0.000 2.281 390 Q HA 0.524 4.865 4.340 0.002 0.000 0.263 390 Q C -1.850 174.148 176.000 -0.003 0.000 0.989 390 Q CA -0.625 55.178 55.803 0.001 0.000 0.852 390 Q CB 2.656 31.394 28.738 -0.000 0.000 1.337 390 Q HN 0.792 nan 8.270 nan 0.000 0.418 391 R N 3.423 123.921 120.500 -0.004 0.000 2.460 391 R HA 0.606 4.947 4.340 0.002 0.000 0.303 391 R C -0.649 175.642 176.300 -0.014 0.000 0.968 391 R CA -0.522 55.569 56.100 -0.015 0.000 0.889 391 R CB 1.397 31.683 30.300 -0.024 0.000 1.123 391 R HN 0.528 nan 8.270 nan 0.000 0.455 392 I N 2.194 122.753 120.570 -0.018 0.000 2.410 392 I HA 0.548 4.719 4.170 0.002 0.000 0.286 392 I C 0.467 176.567 176.117 -0.029 0.000 1.009 392 I CA -0.133 61.155 61.300 -0.020 0.000 1.111 392 I CB 1.912 39.904 38.000 -0.014 0.000 1.262 392 I HN 0.889 nan 8.210 nan 0.000 0.443 393 G N 3.292 112.070 108.800 -0.038 0.000 2.343 393 G HA2 -0.067 3.894 3.960 0.002 0.000 0.562 393 G HA3 -0.067 3.894 3.960 0.002 0.000 0.562 393 G C -0.167 174.693 174.900 -0.067 0.000 1.269 393 G CA -0.538 44.533 45.100 -0.049 0.000 1.011 393 G HN 0.692 nan 8.290 nan 0.000 0.498 394 C N -0.777 118.478 119.300 -0.075 0.000 4.167 394 C HA -0.118 4.343 4.460 0.002 0.000 0.302 394 C C 1.322 176.210 174.990 -0.170 0.000 1.384 394 C CA 0.928 59.888 59.018 -0.097 0.000 2.041 394 C CB -1.959 25.742 27.740 -0.065 0.000 1.303 394 C HN 0.704 nan 8.230 nan 0.000 0.718 395 M N 1.072 120.577 119.600 -0.160 0.000 3.586 395 M HA 0.209 4.690 4.480 0.002 0.000 0.225 395 M C 0.568 176.710 176.300 -0.263 0.000 1.428 395 M CA 0.730 55.907 55.300 -0.207 0.000 1.613 395 M CB -0.776 31.753 32.600 -0.118 0.000 1.063 395 M HN 0.399 nan 8.290 nan 0.000 0.593 396 E N 2.124 122.049 120.200 -0.459 0.000 2.366 396 E HA 0.298 4.649 4.350 0.002 0.000 0.266 396 E C 0.050 176.384 176.600 -0.443 0.000 1.051 396 E CA -0.008 56.148 56.400 -0.405 0.000 0.884 396 E CB 0.901 30.352 29.700 -0.415 0.000 1.006 396 E HN 0.361 nan 8.360 nan 0.000 0.417 397 K N 0.284 120.670 120.400 -0.023 0.000 2.395 397 K HA 0.601 4.922 4.320 0.002 0.000 0.247 397 K C -1.167 175.586 176.600 0.255 0.000 0.973 397 K CA -1.011 55.369 56.287 0.154 0.000 0.828 397 K CB 1.706 34.243 32.500 0.061 0.000 1.272 397 K HN 0.256 nan 8.250 nan 0.000 0.439 398 D N 1.573 122.112 120.400 0.232 0.000 2.438 398 D HA 0.145 4.786 4.640 0.002 0.000 0.257 398 D C -1.156 175.191 176.300 0.077 0.000 1.148 398 D CA 0.205 54.281 54.000 0.126 0.000 0.902 398 D CB 0.357 41.194 40.800 0.062 0.000 1.062 398 D HN 0.561 nan 8.370 nan 0.000 0.518 399 E N 1.903 122.140 120.200 0.061 0.000 7.677 399 E HA -0.157 4.194 4.350 0.002 0.000 0.462 399 E C -0.622 176.004 176.600 0.043 0.000 0.444 399 E CA 0.398 56.823 56.400 0.042 0.000 0.787 399 E CB -0.063 29.656 29.700 0.032 0.000 0.972 399 E HN 0.456 nan 8.360 nan 0.000 0.265 400 K N 1.634 122.054 120.400 0.033 0.000 2.319 400 K HA 0.215 4.536 4.320 0.002 0.000 0.277 400 K C 1.218 177.836 176.600 0.029 0.000 1.111 400 K CA 1.147 57.451 56.287 0.029 0.000 1.093 400 K CB -0.031 32.482 32.500 0.022 0.000 0.910 400 K HN 0.800 nan 8.250 nan 0.000 0.452 401 G N 2.215 111.035 108.800 0.035 0.000 3.468 401 G HA2 -0.148 3.813 3.960 0.002 0.000 0.219 401 G HA3 -0.148 3.813 3.960 0.002 0.000 0.219 401 G C -0.064 174.860 174.900 0.041 0.000 0.968 401 G CA -0.410 44.710 45.100 0.033 0.000 0.851 401 G HN 0.465 nan 8.290 nan 0.000 0.524 402 Q N 1.479 121.311 119.800 0.053 0.000 3.550 402 Q HA 0.349 4.690 4.340 0.002 0.000 0.206 402 Q C -0.818 175.246 176.000 0.108 0.000 0.891 402 Q CA -0.341 55.504 55.803 0.069 0.000 0.737 402 Q CB 0.560 29.333 28.738 0.058 0.000 1.417 402 Q HN 0.629 nan 8.270 nan 0.000 0.460 403 E N 2.251 122.512 120.200 0.102 0.000 2.249 403 E HA 0.343 4.694 4.350 0.002 0.000 0.280 403 E C -0.829 175.871 176.600 0.166 0.000 1.016 403 E CA -0.608 55.865 56.400 0.122 0.000 0.830 403 E CB 0.741 30.467 29.700 0.043 0.000 1.081 403 E HN 0.417 nan 8.360 nan 0.000 0.395 404 Y N 0.254 120.563 120.300 0.016 0.000 2.675 404 Y HA 0.484 5.035 4.550 0.002 0.000 0.328 404 Y C -0.771 175.139 175.900 0.016 0.000 1.092 404 Y CA -1.624 56.487 58.100 0.017 0.000 1.190 404 Y CB 1.134 39.605 38.460 0.019 0.000 1.350 404 Y HN 0.628 nan 8.280 nan 0.000 0.525 405 Q N 1.864 121.635 119.800 -0.048 0.000 2.337 405 Q HA 0.293 4.634 4.340 0.002 0.000 0.270 405 Q C -1.330 174.675 176.000 0.009 0.000 1.043 405 Q CA -1.041 54.679 55.803 -0.138 0.000 0.794 405 Q CB 1.834 30.552 28.738 -0.033 0.000 1.281 405 Q HN 0.784 nan 8.270 nan 0.000 0.446 406 K N 2.380 122.747 120.400 -0.056 0.000 2.447 406 K HA 0.155 4.476 4.320 0.002 0.000 0.281 406 K C 0.066 176.723 176.600 0.094 0.000 1.031 406 K CA 0.306 56.651 56.287 0.098 0.000 1.019 406 K CB 0.233 32.775 32.500 0.069 0.000 0.918 406 K HN 0.801 nan 8.250 nan 0.000 0.476 407 G N 2.253 111.117 108.800 0.106 0.000 2.391 407 G HA2 0.278 4.239 3.960 0.002 0.000 0.234 407 G HA3 0.278 4.239 3.960 0.002 0.000 0.234 407 G C 0.884 175.774 174.900 -0.018 0.000 1.284 407 G CA 0.105 45.212 45.100 0.011 0.000 0.873 407 G HN 1.025 nan 8.290 nan 0.000 0.549 408 G N -0.103 108.623 108.800 -0.123 0.000 2.179 408 G HA2 -0.281 3.680 3.960 0.002 0.000 0.260 408 G HA3 -0.281 3.680 3.960 0.002 0.000 0.260 408 G C 1.127 175.997 174.900 -0.049 0.000 0.977 408 G CA 0.726 45.733 45.100 -0.155 0.000 0.641 408 G HN 1.949 nan 8.290 nan 0.000 0.533 409 C N 1.249 120.541 119.300 -0.013 0.000 2.262 409 C HA 0.417 4.879 4.460 0.002 0.000 0.410 409 C C 2.104 177.060 174.990 -0.057 0.000 1.495 409 C CA 1.987 60.994 59.018 -0.019 0.000 1.410 409 C CB -1.516 26.209 27.740 -0.024 0.000 2.542 409 C HN 2.360 nan 8.230 nan 0.000 0.624 410 G N 3.851 112.625 108.800 -0.043 0.000 2.184 410 G HA2 0.323 4.284 3.960 0.002 0.000 0.206 410 G HA3 0.323 4.284 3.960 0.002 0.000 0.206 410 G C 1.255 176.132 174.900 -0.039 0.000 0.995 410 G CA 0.628 45.702 45.100 -0.043 0.000 0.651 410 G HN 2.855 nan 8.290 nan 0.000 0.511 411 G N -0.994 107.761 108.800 -0.076 0.000 2.584 411 G HA2 0.077 4.038 3.960 0.002 0.000 0.229 411 G HA3 0.077 4.038 3.960 0.002 0.000 0.229 411 G C 0.160 174.887 174.900 -0.288 0.000 1.320 411 G CA 0.306 45.405 45.100 -0.002 0.000 0.891 411 G HN 1.074 nan 8.290 nan 0.000 0.573 412 F N 1.552 121.686 119.950 0.306 0.000 2.729 412 F HA 0.498 5.026 4.527 0.002 0.000 0.315 412 F C 1.666 177.572 175.800 0.177 0.000 1.102 412 F CA 0.927 59.055 58.000 0.213 0.000 1.204 412 F CB 1.191 40.299 39.000 0.180 0.000 1.052 412 F HN 1.831 nan 8.300 nan 0.000 0.551 413 G N 0.877 109.868 108.800 0.319 0.000 2.141 413 G HA2 -0.246 3.715 3.960 0.002 0.000 0.195 413 G HA3 -0.246 3.715 3.960 0.002 0.000 0.195 413 G C 1.275 176.341 174.900 0.277 0.000 1.012 413 G CA 0.268 45.526 45.100 0.265 0.000 0.696 413 G HN 0.145 nan 8.290 nan 0.000 0.508 414 K N 0.831 121.468 120.400 0.396 0.000 2.063 414 K HA -0.075 4.246 4.320 0.002 0.000 0.208 414 K C 2.619 179.421 176.600 0.337 0.000 1.048 414 K CA 2.314 58.856 56.287 0.425 0.000 0.928 414 K CB -0.972 31.852 32.500 0.540 0.000 0.713 414 K HN 0.634 nan 8.250 nan 0.000 0.442 415 G N 1.246 110.208 108.800 0.271 0.000 2.450 415 G HA2 -0.231 3.730 3.960 0.002 0.000 0.220 415 G HA3 -0.231 3.730 3.960 0.002 0.000 0.220 415 G C 1.311 176.362 174.900 0.251 0.000 1.130 415 G CA 0.602 45.836 45.100 0.224 0.000 0.760 415 G HN 0.362 nan 8.290 nan 0.000 0.557 416 N N -0.307 118.560 118.700 0.277 0.000 2.398 416 N HA 0.064 4.805 4.740 0.002 0.000 0.188 416 N C 1.462 177.157 175.510 0.309 0.000 1.122 416 N CA -0.217 53.004 53.050 0.284 0.000 0.866 416 N CB -0.133 38.516 38.487 0.269 0.000 0.970 416 N HN 0.475 nan 8.380 nan 0.000 0.462 417 F N 2.479 122.507 119.950 0.129 0.000 2.025 417 F HA -0.344 4.184 4.527 0.002 0.000 0.297 417 F C 2.642 178.505 175.800 0.104 0.000 1.132 417 F CA 1.524 59.579 58.000 0.092 0.000 1.191 417 F CB -0.014 39.038 39.000 0.086 0.000 0.963 417 F HN 0.123 nan 8.300 nan 0.000 0.481 418 S N -0.020 115.731 115.700 0.085 0.000 2.372 418 S HA -0.398 4.073 4.470 0.002 0.000 0.227 418 S C 1.789 176.433 174.600 0.073 0.000 1.044 418 S CA 1.703 59.882 58.200 -0.036 0.000 1.050 418 S CB -0.962 62.246 63.200 0.013 0.000 0.901 418 S HN 0.589 nan 8.310 nan 0.000 0.447 419 Q N 0.923 120.777 119.800 0.089 0.000 2.079 419 Q HA 0.027 4.368 4.340 0.002 0.000 0.200 419 Q C 2.064 178.060 176.000 -0.007 0.000 0.974 419 Q CA 1.477 57.285 55.803 0.009 0.000 0.840 419 Q CB -0.798 27.875 28.738 -0.109 0.000 0.898 419 Q HN 0.539 nan 8.270 nan 0.000 0.430 420 L N -0.100 121.160 121.223 0.062 0.000 1.989 420 L HA -0.125 4.216 4.340 0.002 0.000 0.211 420 L C 2.126 179.003 176.870 0.012 0.000 1.071 420 L CA 2.109 56.971 54.840 0.037 0.000 0.749 420 L CB -1.156 40.971 42.059 0.115 0.000 0.890 420 L HN 0.439 nan 8.230 nan 0.000 0.431 421 F N 0.647 120.543 119.950 -0.091 0.000 2.120 421 F HA -0.294 4.234 4.527 0.002 0.000 0.300 421 F C 2.561 178.297 175.800 -0.106 0.000 1.095 421 F CA 2.430 60.342 58.000 -0.147 0.000 1.249 421 F CB -0.406 38.400 39.000 -0.323 0.000 0.995 421 F HN 0.187 nan 8.300 nan 0.000 0.480 422 K N -0.058 120.287 120.400 -0.092 0.000 2.097 422 K HA -0.144 4.177 4.320 0.002 0.000 0.206 422 K C 2.121 178.603 176.600 -0.196 0.000 1.049 422 K CA 1.661 57.850 56.287 -0.163 0.000 0.933 422 K CB -0.263 32.224 32.500 -0.022 0.000 0.717 422 K HN 0.339 nan 8.250 nan 0.000 0.442 423 S N 1.522 117.133 115.700 -0.150 0.000 2.343 423 S HA -0.121 4.350 4.470 0.002 0.000 0.219 423 S C 1.994 176.508 174.600 -0.143 0.000 1.033 423 S CA 1.236 59.359 58.200 -0.128 0.000 1.014 423 S CB -0.235 62.893 63.200 -0.121 0.000 0.915 423 S HN 0.230 nan 8.310 nan 0.000 0.435 424 I N 1.961 122.413 120.570 -0.195 0.000 2.099 424 I HA -0.144 4.027 4.170 0.002 0.000 0.239 424 I C 2.714 178.717 176.117 -0.190 0.000 1.066 424 I CA 1.414 62.607 61.300 -0.178 0.000 1.324 424 I CB -1.469 36.417 38.000 -0.190 0.000 1.037 424 I HN 0.280 nan 8.210 nan 0.000 0.401 425 E N 1.079 121.027 120.200 -0.419 0.000 2.097 425 E HA -0.255 4.096 4.350 0.002 0.000 0.196 425 E C 1.788 178.253 176.600 -0.224 0.000 1.000 425 E CA 1.676 57.811 56.400 -0.442 0.000 0.804 425 E CB -0.158 29.020 29.700 -0.869 0.000 0.740 425 E HN 0.415 nan 8.360 nan 0.000 0.454 426 D N -0.745 119.549 120.400 -0.176 0.000 2.084 426 D HA -0.166 4.475 4.640 0.002 0.000 0.194 426 D C 1.856 178.147 176.300 -0.016 0.000 0.990 426 D CA 0.961 54.913 54.000 -0.079 0.000 0.826 426 D CB -0.694 40.075 40.800 -0.052 0.000 0.971 426 D HN 0.232 nan 8.370 nan 0.000 0.453 427 Y N 2.046 122.277 120.300 -0.116 0.000 2.114 427 Y HA -0.219 4.332 4.550 0.002 0.000 0.282 427 Y C 1.873 177.725 175.900 -0.079 0.000 1.165 427 Y CA 1.554 59.601 58.100 -0.087 0.000 1.148 427 Y CB -0.098 38.306 38.460 -0.093 0.000 0.972 427 Y HN -0.075 nan 8.280 nan 0.000 0.504 428 E N 0.294 120.462 120.200 -0.052 0.000 2.463 428 E HA -0.191 4.160 4.350 0.002 0.000 0.201 428 E C 1.726 178.250 176.600 -0.127 0.000 1.045 428 E CA 1.080 57.414 56.400 -0.110 0.000 0.872 428 E CB -0.144 29.523 29.700 -0.054 0.000 0.797 428 E HN 0.576 nan 8.360 nan 0.000 0.538 429 K N 0.256 120.582 120.400 -0.124 0.000 2.367 429 K HA -0.004 4.317 4.320 0.002 0.000 0.198 429 K C 2.107 178.639 176.600 -0.112 0.000 1.132 429 K CA 0.726 56.954 56.287 -0.098 0.000 0.941 429 K CB 0.248 32.704 32.500 -0.073 0.000 1.052 429 K HN 0.050 nan 8.250 nan 0.000 0.507 430 S N 1.056 116.674 115.700 -0.137 0.000 2.419 430 S HA -0.091 4.380 4.470 0.002 0.000 0.233 430 S C 1.820 176.312 174.600 -0.178 0.000 1.016 430 S CA 0.657 58.779 58.200 -0.130 0.000 0.974 430 S CB -0.144 62.990 63.200 -0.111 0.000 0.786 430 S HN 0.175 nan 8.310 nan 0.000 0.492 431 L N 0.972 122.033 121.223 -0.270 0.000 2.168 431 L HA 0.368 4.709 4.340 0.002 0.000 0.203 431 L C 1.618 178.400 176.870 -0.146 0.000 1.078 431 L CA 1.051 55.741 54.840 -0.251 0.000 0.780 431 L CB -1.384 40.451 42.059 -0.374 0.000 0.939 431 L HN 0.434 nan 8.230 nan 0.000 0.451 432 E N 0.000 120.125 120.200 -0.125 0.000 2.725 432 E HA 0.000 4.351 4.350 0.002 0.000 0.291 432 E CA 0.000 56.355 56.400 -0.076 0.000 0.976 432 E CB 0.000 29.664 29.700 -0.060 0.000 0.812 432 E HN 0.000 nan 8.360 nan 0.000 0.440