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 2gwc_1_D DATA FIRST_RESID 77 DATA SEQUENCE ATEPLTREDL IAYLASGCKS KEKWRIGTEH EKFGFEVNTL RPXKYDQIAE DATA SEQUENCE LLNSIAERFE WEKVXEGDKI IGLKQGKQSI SLEPGGQFEL SGAPLETLHQ DATA SEQUENCE TcAEVNSHLY QVKAVAEEXG IGFLGXGFQP KWRREDIPTX PKGRYDIXRN DATA SEQUENCE YXPKVGSLGL DXXLRTCTVQ VNLDFSSEAD XIRKFRAGLA LQPIATALFA DATA SEQUENCE NSPFTEGKPN GFLSXRSHIW TDTDKDRTGX LPFVFDDSFG FEQYVDYALD DATA SEQUENCE VPXYFAYRNG KYVDcTGXTF RQFLAGKLPc LPGELPTYND WENHLTTIFP DATA SEQUENCE EVRLKRYXEX RGADGGPWRR LcALPAFWVG LLYDEDVLQS VLDLTADWTP DATA SEQUENCE AEREXLRNKV PVTGLKTPFR DGLLKHVAED VLKLAKDGLE RRGYKEVGFL DATA SEQUENCE NAVTEVVRTG VTPAENLLEX YNGEWGQSVD PVFQELLY 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 77 A HA 0.000 nan 4.320 nan 0.000 0.244 77 A C 0.000 177.578 177.584 -0.010 0.000 1.274 77 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 77 A CB 0.000 19.003 19.000 0.004 0.000 0.831 78 T N 2.255 116.799 114.554 -0.016 0.000 2.794 78 T HA 0.496 4.845 4.350 -0.001 0.000 0.304 78 T C -0.303 174.378 174.700 -0.031 0.000 0.973 78 T CA 0.293 62.376 62.100 -0.028 0.000 0.972 78 T CB 0.548 69.399 68.868 -0.028 0.000 0.952 78 T HN 0.622 nan 8.240 nan 0.000 0.509 79 E N 4.796 124.972 120.200 -0.040 0.000 2.402 79 E HA 0.347 4.696 4.350 -0.001 0.000 0.244 79 E C -2.325 174.227 176.600 -0.080 0.000 0.945 79 E CA -2.034 54.339 56.400 -0.045 0.000 0.774 79 E CB 0.735 30.420 29.700 -0.024 0.000 1.296 79 E HN 0.297 nan 8.360 nan 0.000 0.414 80 P HA 0.109 nan 4.420 nan 0.000 0.271 80 P C -0.359 176.844 177.300 -0.161 0.000 1.216 80 P CA -0.174 62.847 63.100 -0.131 0.000 0.776 80 P CB 0.756 32.390 31.700 -0.110 0.000 0.881 81 L N 2.161 123.243 121.223 -0.236 0.000 2.417 81 L HA 0.293 4.633 4.340 -0.001 0.000 0.268 81 L C 1.395 178.134 176.870 -0.220 0.000 1.158 81 L CA -0.196 54.478 54.840 -0.277 0.000 0.819 81 L CB 0.714 42.511 42.059 -0.437 0.000 1.112 81 L HN 0.565 nan 8.230 nan 0.000 0.458 82 T N -1.470 112.977 114.554 -0.179 0.000 2.949 82 T HA 0.303 4.652 4.350 -0.001 0.000 0.287 82 T C 0.872 175.468 174.700 -0.174 0.000 1.034 82 T CA -0.851 61.161 62.100 -0.147 0.000 1.018 82 T CB 1.895 70.708 68.868 -0.091 0.000 1.135 82 T HN 0.625 nan 8.240 nan 0.000 0.532 83 R N 0.327 120.738 120.500 -0.147 0.000 2.103 83 R HA -0.182 4.158 4.340 -0.001 0.000 0.242 83 R C 2.219 178.459 176.300 -0.100 0.000 1.142 83 R CA 2.170 58.181 56.100 -0.147 0.000 0.960 83 R CB -0.416 29.830 30.300 -0.089 0.000 0.858 83 R HN 0.916 nan 8.270 nan 0.000 0.439 84 E N -0.008 120.158 120.200 -0.057 0.000 2.085 84 E HA -0.224 4.125 4.350 -0.001 0.000 0.194 84 E C 1.134 177.735 176.600 0.001 0.000 0.994 84 E CA 1.747 58.137 56.400 -0.016 0.000 0.801 84 E CB -0.019 29.676 29.700 -0.009 0.000 0.743 84 E HN 0.421 nan 8.360 nan 0.000 0.453 85 D N 0.411 120.802 120.400 -0.014 0.000 2.144 85 D HA -0.135 4.504 4.640 -0.001 0.000 0.200 85 D C 2.133 178.497 176.300 0.106 0.000 0.978 85 D CA 0.757 54.796 54.000 0.066 0.000 0.833 85 D CB -0.087 40.736 40.800 0.038 0.000 0.961 85 D HN 0.315 nan 8.370 nan 0.000 0.470 86 L N 0.431 121.591 121.223 -0.105 0.000 2.093 86 L HA -0.091 4.249 4.340 -0.001 0.000 0.208 86 L C 2.507 179.476 176.870 0.165 0.000 1.085 86 L CA 0.612 55.309 54.840 -0.237 0.000 0.755 86 L CB -0.329 41.201 42.059 -0.882 0.000 0.904 86 L HN -0.006 nan 8.230 nan 0.000 0.435 87 I N 0.295 120.929 120.570 0.106 0.000 2.202 87 I HA -0.241 3.928 4.170 -0.001 0.000 0.242 87 I C 2.846 178.994 176.117 0.052 0.000 1.091 87 I CA 1.192 62.576 61.300 0.140 0.000 1.368 87 I CB -0.482 37.581 38.000 0.104 0.000 1.058 87 I HN 0.162 nan 8.210 nan 0.000 0.410 88 A N 0.054 122.904 122.820 0.051 0.000 1.972 88 A HA -0.283 4.037 4.320 -0.001 0.000 0.219 88 A C 2.294 179.882 177.584 0.007 0.000 1.169 88 A CA 1.493 53.529 52.037 -0.002 0.000 0.635 88 A CB -1.034 17.985 19.000 0.033 0.000 0.810 88 A HN 0.549 nan 8.150 nan 0.000 0.446 89 Y N 0.600 120.918 120.300 0.030 0.000 2.128 89 Y HA -0.212 4.337 4.550 -0.001 0.000 0.284 89 Y C 1.976 177.877 175.900 0.002 0.000 1.154 89 Y CA 2.007 60.136 58.100 0.048 0.000 1.149 89 Y CB -0.277 38.365 38.460 0.303 0.000 0.976 89 Y HN 0.233 nan 8.280 nan 0.000 0.505 90 L N -0.367 120.908 121.223 0.086 0.000 2.017 90 L HA -0.227 4.112 4.340 -0.001 0.000 0.208 90 L C 2.774 179.376 176.870 -0.447 0.000 1.073 90 L CA 1.287 56.056 54.840 -0.118 0.000 0.745 90 L CB -1.146 40.937 42.059 0.039 0.000 0.894 90 L HN 0.336 nan 8.230 nan 0.000 0.432 91 A N 0.149 122.489 122.820 -0.801 0.000 2.070 91 A HA -0.197 4.123 4.320 -0.001 0.000 0.220 91 A C 2.453 179.861 177.584 -0.294 0.000 1.159 91 A CA 1.680 53.201 52.037 -0.859 0.000 0.656 91 A CB -0.628 17.968 19.000 -0.674 0.000 0.800 91 A HN 0.555 nan 8.150 nan 0.000 0.453 92 S N -0.492 115.051 115.700 -0.261 0.000 2.500 92 S HA 0.025 4.494 4.470 -0.001 0.000 0.239 92 S C 1.766 176.241 174.600 -0.207 0.000 0.989 92 S CA 1.152 59.225 58.200 -0.211 0.000 0.951 92 S CB -0.802 62.246 63.200 -0.253 0.000 0.759 92 S HN 0.641 nan 8.310 nan 0.000 0.523 93 G N 0.295 108.966 108.800 -0.216 0.000 2.598 93 G HA2 0.007 3.966 3.960 -0.001 0.000 0.215 93 G HA3 0.007 3.966 3.960 -0.001 0.000 0.215 93 G C 0.516 175.168 174.900 -0.413 0.000 1.131 93 G CA 0.154 45.072 45.100 -0.303 0.000 0.785 93 G HN 0.594 nan 8.290 nan 0.000 0.539 94 C N 1.695 120.909 119.300 -0.143 0.000 2.596 94 C HA 0.447 4.906 4.460 -0.001 0.000 0.414 94 C C 0.671 175.635 174.990 -0.043 0.000 1.396 94 C CA -0.379 58.631 59.018 -0.013 0.000 1.698 94 C CB -1.004 26.845 27.740 0.181 0.000 2.572 94 C HN 0.602 nan 8.230 nan 0.000 0.604 95 K N 1.815 122.225 120.400 0.016 0.000 2.532 95 K HA 0.599 4.919 4.320 -0.001 0.000 0.265 95 K C -0.531 176.171 176.600 0.170 0.000 0.948 95 K CA -0.385 55.942 56.287 0.067 0.000 0.842 95 K CB 1.240 33.760 32.500 0.033 0.000 1.392 95 K HN 0.572 nan 8.250 nan 0.000 0.436 96 S N 0.425 116.133 115.700 0.014 0.000 2.584 96 S HA 0.006 4.476 4.470 -0.001 0.000 0.270 96 S C 1.076 175.388 174.600 -0.479 0.000 1.346 96 S CA -0.052 58.069 58.200 -0.133 0.000 1.018 96 S CB 1.371 64.489 63.200 -0.137 0.000 0.899 96 S HN 0.897 nan 8.310 nan 0.000 0.542 97 K N 1.253 121.127 120.400 -0.875 0.000 2.103 97 K HA -0.185 4.134 4.320 -0.001 0.000 0.207 97 K C 1.993 177.965 176.600 -1.047 0.000 1.048 97 K CA 1.819 57.000 56.287 -1.844 0.000 0.930 97 K CB -0.284 31.349 32.500 -1.445 0.000 0.716 97 K HN 0.841 nan 8.250 nan 0.000 0.444 98 E N 0.403 120.286 120.200 -0.529 0.000 2.409 98 E HA -0.172 4.177 4.350 -0.001 0.000 0.198 98 E C 0.700 177.195 176.600 -0.175 0.000 1.024 98 E CA 0.940 57.173 56.400 -0.278 0.000 0.861 98 E CB 0.135 29.729 29.700 -0.177 0.000 0.788 98 E HN 0.198 nan 8.360 nan 0.000 0.521 99 K N 0.231 120.522 120.400 -0.182 0.000 2.373 99 K HA 0.095 4.415 4.320 -0.001 0.000 0.202 99 K C -0.265 176.387 176.600 0.086 0.000 1.025 99 K CA -0.297 55.964 56.287 -0.043 0.000 1.115 99 K CB 0.118 32.597 32.500 -0.035 0.000 0.858 99 K HN 0.081 nan 8.250 nan 0.000 0.525 100 W N 2.589 123.805 121.300 -0.140 0.000 2.251 100 W HA 0.127 4.787 4.660 -0.000 0.000 0.327 100 W C 0.878 177.375 176.519 -0.035 0.000 1.361 100 W CA -0.413 56.828 57.345 -0.174 0.000 1.234 100 W CB 0.178 29.322 29.460 -0.527 0.000 1.212 100 W HN -0.163 nan 8.180 nan 0.000 0.557 101 R N 2.505 123.162 120.500 0.262 0.000 2.950 101 R HA 0.666 5.005 4.340 -0.001 0.000 0.253 101 R C -0.827 175.584 176.300 0.186 0.000 1.168 101 R CA -1.434 54.774 56.100 0.180 0.000 1.014 101 R CB 1.236 31.566 30.300 0.050 0.000 1.228 101 R HN 0.389 nan 8.270 nan 0.000 0.487 102 I N 0.227 120.839 120.570 0.070 0.000 2.410 102 I HA 0.406 4.575 4.170 -0.001 0.000 0.286 102 I C 0.273 176.350 176.117 -0.066 0.000 1.009 102 I CA -0.722 60.572 61.300 -0.010 0.000 1.111 102 I CB 2.217 40.204 38.000 -0.021 0.000 1.262 102 I HN 0.546 nan 8.210 nan 0.000 0.443 103 G N 3.605 112.340 108.800 -0.109 0.000 2.417 103 G HA2 0.643 4.602 3.960 -0.001 0.000 0.320 103 G HA3 0.643 4.602 3.960 -0.001 0.000 0.320 103 G C -0.750 174.091 174.900 -0.099 0.000 1.204 103 G CA -0.267 44.754 45.100 -0.131 0.000 0.923 103 G HN 0.434 nan 8.290 nan 0.000 0.466 104 T N 2.266 116.781 114.554 -0.065 0.000 2.824 104 T HA 0.494 4.843 4.350 -0.001 0.000 0.282 104 T C -0.510 174.185 174.700 -0.009 0.000 0.993 104 T CA -0.462 61.623 62.100 -0.025 0.000 0.967 104 T CB 1.794 70.660 68.868 -0.003 0.000 0.960 104 T HN 0.554 nan 8.240 nan 0.000 0.441 105 E N 2.021 122.223 120.200 0.004 0.000 2.238 105 E HA 0.549 4.898 4.350 -0.001 0.000 0.267 105 E C -0.945 175.693 176.600 0.063 0.000 0.887 105 E CA -0.988 55.401 56.400 -0.017 0.000 0.769 105 E CB 1.951 31.630 29.700 -0.036 0.000 1.187 105 E HN 0.873 nan 8.360 nan 0.000 0.416 106 H N -0.650 118.397 119.070 -0.039 0.000 3.012 106 H HA 0.536 5.092 4.556 -0.001 0.000 0.367 106 H C -1.267 174.048 175.328 -0.022 0.000 1.211 106 H CA -0.955 55.089 56.048 -0.006 0.000 1.139 106 H CB 1.404 31.186 29.762 0.034 0.000 1.838 106 H HN 0.286 nan 8.280 nan 0.000 0.550 107 E N 1.216 121.427 120.200 0.018 0.000 2.244 107 E HA 0.512 4.862 4.350 -0.001 0.000 0.266 107 E C -1.095 175.549 176.600 0.074 0.000 0.914 107 E CA -1.301 55.075 56.400 -0.040 0.000 0.794 107 E CB 2.506 32.161 29.700 -0.075 0.000 1.210 107 E HN 0.585 nan 8.360 nan 0.000 0.414 108 K N 1.176 121.620 120.400 0.073 0.000 2.477 108 K HA 0.447 4.766 4.320 -0.001 0.000 0.255 108 K C -1.268 175.448 176.600 0.193 0.000 0.952 108 K CA -0.832 55.588 56.287 0.222 0.000 0.826 108 K CB 1.489 34.216 32.500 0.378 0.000 1.331 108 K HN 0.245 nan 8.250 nan 0.000 0.437 109 F N 1.134 121.381 119.950 0.495 0.000 2.424 109 F HA 0.320 4.847 4.527 -0.001 0.000 0.356 109 F C 1.190 177.265 175.800 0.458 0.000 1.110 109 F CA -0.303 57.949 58.000 0.419 0.000 1.161 109 F CB 1.127 40.312 39.000 0.309 0.000 1.115 109 F HN 0.602 nan 8.300 nan 0.000 0.507 110 G N 3.587 112.622 108.800 0.391 0.000 2.395 110 G HA2 0.531 4.491 3.960 -0.001 0.000 0.283 110 G HA3 0.531 4.491 3.960 -0.001 0.000 0.283 110 G C -1.343 173.579 174.900 0.037 0.000 1.178 110 G CA -0.363 44.547 45.100 -0.317 0.000 0.837 110 G HN 0.597 nan 8.290 nan 0.000 0.518 111 F N -1.052 118.757 119.950 -0.236 0.000 2.645 111 F HA 0.595 5.122 4.527 -0.001 0.000 0.310 111 F C -0.430 175.290 175.800 -0.134 0.000 1.102 111 F CA -1.498 56.459 58.000 -0.071 0.000 0.952 111 F CB 1.295 40.382 39.000 0.145 0.000 1.326 111 F HN 0.409 nan 8.300 nan 0.000 0.456 112 E N 1.649 121.843 120.200 -0.009 0.000 2.257 112 E HA 0.189 4.539 4.350 -0.001 0.000 0.278 112 E C 0.575 177.187 176.600 0.021 0.000 1.049 112 E CA -0.362 55.988 56.400 -0.084 0.000 0.876 112 E CB 2.040 31.708 29.700 -0.053 0.000 1.035 112 E HN 0.641 nan 8.360 nan 0.000 0.419 113 V N 3.920 123.772 119.914 -0.102 0.000 2.392 113 V HA -0.285 3.834 4.120 -0.001 0.000 0.249 113 V C 1.439 177.564 176.094 0.051 0.000 1.059 113 V CA 1.689 63.998 62.300 0.015 0.000 1.051 113 V CB -0.321 31.464 31.823 -0.063 0.000 0.658 113 V HN 0.600 nan 8.190 nan 0.000 0.455 114 N N -0.128 118.572 118.700 0.000 0.000 2.368 114 N HA -0.055 4.685 4.740 -0.001 0.000 0.176 114 N C 1.899 177.399 175.510 -0.017 0.000 1.021 114 N CA 1.617 54.660 53.050 -0.011 0.000 0.888 114 N CB -0.054 38.420 38.487 -0.022 0.000 0.995 114 N HN 0.690 nan 8.380 nan 0.000 0.437 115 T N -1.996 112.553 114.554 -0.008 0.000 3.001 115 T HA 0.285 4.635 4.350 -0.001 0.000 0.251 115 T C 0.997 175.711 174.700 0.024 0.000 1.040 115 T CA -0.086 62.016 62.100 0.003 0.000 0.985 115 T CB 0.180 69.047 68.868 -0.002 0.000 1.011 115 T HN 0.120 nan 8.240 nan 0.000 0.509 116 L N -0.645 120.574 121.223 -0.007 0.000 4.696 116 L HA -0.205 4.135 4.340 -0.001 0.000 0.425 116 L C 0.364 177.343 176.870 0.182 0.000 1.115 116 L CA 0.302 55.051 54.840 -0.150 0.000 0.996 116 L CB -1.806 39.792 42.059 -0.768 0.000 2.077 116 L HN 0.340 nan 8.230 nan 0.000 0.792 117 R N 1.254 121.825 120.500 0.118 0.000 2.594 117 R HA 0.298 4.637 4.340 -0.001 0.000 0.272 117 R C -1.772 174.471 176.300 -0.095 0.000 1.074 117 R CA -1.401 54.595 56.100 -0.173 0.000 1.105 117 R CB 0.160 30.280 30.300 -0.300 0.000 1.008 117 R HN -0.057 nan 8.270 nan 0.000 0.472 121 Y N 2.724 123.036 120.300 0.019 0.000 2.165 121 Y HA -0.288 4.261 4.550 -0.001 0.000 0.286 121 Y C 1.961 177.879 175.900 0.030 0.000 1.155 121 Y CA 2.817 60.940 58.100 0.039 0.000 1.164 121 Y CB -0.063 38.418 38.460 0.036 0.000 0.978 121 Y HN 0.809 nan 8.280 nan 0.000 0.513 122 D N -0.400 119.914 120.400 -0.144 0.000 2.144 122 D HA -0.244 4.396 4.640 -0.001 0.000 0.199 122 D C 1.682 177.846 176.300 -0.227 0.000 0.984 122 D CA 1.869 55.749 54.000 -0.200 0.000 0.834 122 D CB -0.735 40.041 40.800 -0.040 0.000 0.955 122 D HN 0.563 nan 8.370 nan 0.000 0.465 123 Q N -0.091 119.611 119.800 -0.164 0.000 2.123 123 Q HA 0.058 4.397 4.340 -0.001 0.000 0.199 123 Q C 2.636 178.542 176.000 -0.156 0.000 0.966 123 Q CA 0.661 56.379 55.803 -0.142 0.000 0.845 123 Q CB 0.048 28.715 28.738 -0.118 0.000 0.907 123 Q HN 0.359 nan 8.270 nan 0.000 0.439 124 I N 0.696 121.163 120.570 -0.171 0.000 2.179 124 I HA -0.291 3.878 4.170 -0.001 0.000 0.242 124 I C 2.405 178.434 176.117 -0.148 0.000 1.088 124 I CA 1.041 62.289 61.300 -0.088 0.000 1.357 124 I CB -0.360 37.657 38.000 0.028 0.000 1.051 124 I HN 0.170 nan 8.210 nan 0.000 0.409 125 A N 0.156 122.719 122.820 -0.429 0.000 1.908 125 A HA -0.288 4.031 4.320 -0.001 0.000 0.218 125 A C 2.319 179.817 177.584 -0.144 0.000 1.181 125 A CA 2.084 53.920 52.037 -0.334 0.000 0.627 125 A CB -0.688 18.012 19.000 -0.500 0.000 0.818 125 A HN 0.527 nan 8.150 nan 0.000 0.445 126 E N -0.646 119.468 120.200 -0.143 0.000 2.077 126 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 126 E C 1.914 178.482 176.600 -0.054 0.000 0.989 126 E CA 1.293 57.643 56.400 -0.083 0.000 0.800 126 E CB -0.208 29.442 29.700 -0.084 0.000 0.746 126 E HN 0.423 nan 8.360 nan 0.000 0.452 127 L N 1.046 122.235 121.223 -0.057 0.000 1.989 127 L HA -0.191 4.148 4.340 -0.001 0.000 0.211 127 L C 2.195 179.084 176.870 0.032 0.000 1.071 127 L CA 1.697 56.517 54.840 -0.033 0.000 0.749 127 L CB -0.587 41.422 42.059 -0.084 0.000 0.890 127 L HN 0.243 nan 8.230 nan 0.000 0.431 128 L N -0.712 120.558 121.223 0.077 0.000 2.017 128 L HA -0.225 4.115 4.340 -0.001 0.000 0.208 128 L C 2.232 179.118 176.870 0.026 0.000 1.073 128 L CA 1.840 56.723 54.840 0.072 0.000 0.745 128 L CB -0.769 41.332 42.059 0.071 0.000 0.894 128 L HN 0.388 nan 8.230 nan 0.000 0.432 129 N N -0.755 117.955 118.700 0.016 0.000 2.104 129 N HA -0.174 4.566 4.740 -0.001 0.000 0.190 129 N C 1.964 177.482 175.510 0.013 0.000 1.024 129 N CA 1.495 54.555 53.050 0.016 0.000 0.853 129 N CB -0.039 38.450 38.487 0.003 0.000 1.008 129 N HN 0.135 nan 8.380 nan 0.000 0.424 130 S N 0.405 116.104 115.700 -0.001 0.000 2.368 130 S HA -0.001 4.468 4.470 -0.001 0.000 0.224 130 S C 1.917 176.519 174.600 0.005 0.000 1.029 130 S CA 0.668 58.859 58.200 -0.015 0.000 0.988 130 S CB -0.168 63.016 63.200 -0.026 0.000 0.838 130 S HN 0.246 nan 8.310 nan 0.000 0.462 131 I N 1.623 122.228 120.570 0.057 0.000 2.226 131 I HA -0.240 3.929 4.170 -0.001 0.000 0.245 131 I C 2.669 178.908 176.117 0.204 0.000 1.100 131 I CA 1.144 62.543 61.300 0.165 0.000 1.374 131 I CB -0.478 37.535 38.000 0.023 0.000 1.057 131 I HN 0.265 nan 8.210 nan 0.000 0.413 132 A N 0.114 123.011 122.820 0.129 0.000 1.902 132 A HA -0.274 4.045 4.320 -0.001 0.000 0.217 132 A C 2.347 180.045 177.584 0.190 0.000 1.181 132 A CA 2.044 54.219 52.037 0.230 0.000 0.623 132 A CB -0.603 18.489 19.000 0.154 0.000 0.818 132 A HN 0.519 nan 8.150 nan 0.000 0.443 133 E N -0.542 119.704 120.200 0.077 0.000 2.076 133 E HA -0.140 4.210 4.350 -0.001 0.000 0.190 133 E C 2.293 178.862 176.600 -0.052 0.000 0.979 133 E CA 0.690 57.100 56.400 0.017 0.000 0.807 133 E CB -0.061 29.632 29.700 -0.011 0.000 0.761 133 E HN 0.593 nan 8.360 nan 0.000 0.454 134 R N -0.866 119.527 120.500 -0.178 0.000 2.073 134 R HA -0.049 4.291 4.340 -0.001 0.000 0.229 134 R C 1.200 177.211 176.300 -0.483 0.000 1.120 134 R CA 1.135 56.937 56.100 -0.497 0.000 0.967 134 R CB 0.029 29.719 30.300 -1.016 0.000 0.862 134 R HN 0.183 nan 8.270 nan 0.000 0.436 135 F N 0.456 120.528 119.950 0.203 0.000 2.683 135 F HA 0.246 4.773 4.527 -0.001 0.000 0.306 135 F C -0.423 175.517 175.800 0.233 0.000 1.102 135 F CA -0.596 57.559 58.000 0.258 0.000 1.244 135 F CB 0.128 39.359 39.000 0.385 0.000 1.029 135 F HN -0.101 nan 8.300 nan 0.000 0.545 136 E N -0.645 119.735 120.200 0.300 0.000 2.313 136 E HA -0.228 4.121 4.350 -0.001 0.000 0.190 136 E C -1.366 175.297 176.600 0.104 0.000 1.406 136 E CA 0.159 56.652 56.400 0.155 0.000 0.668 136 E CB -1.517 28.215 29.700 0.054 0.000 1.135 136 E HN 0.373 nan 8.360 nan 0.000 0.375 137 W N 0.993 122.344 121.300 0.085 0.000 2.627 137 W HA 0.343 5.002 4.660 -0.001 0.000 0.339 137 W C 0.660 177.206 176.519 0.044 0.000 1.058 137 W CA -0.668 56.717 57.345 0.066 0.000 1.223 137 W CB 0.877 30.385 29.460 0.080 0.000 1.389 137 W HN 0.142 nan 8.180 nan 0.000 0.541 138 E N 2.923 123.278 120.200 0.258 0.000 2.338 138 E HA 0.132 4.481 4.350 -0.001 0.000 0.272 138 E C -0.540 176.166 176.600 0.176 0.000 1.029 138 E CA -0.297 56.202 56.400 0.164 0.000 0.872 138 E CB 0.639 30.400 29.700 0.102 0.000 1.015 138 E HN 0.322 nan 8.360 nan 0.000 0.417 139 K N 2.918 123.392 120.400 0.123 0.000 2.297 139 K HA 0.218 4.538 4.320 -0.001 0.000 0.286 139 K C -0.366 176.278 176.600 0.074 0.000 1.053 139 K CA -0.544 55.799 56.287 0.094 0.000 0.940 139 K CB 1.477 34.023 32.500 0.076 0.000 1.019 139 K HN 0.274 nan 8.250 nan 0.000 0.475 143 G N 4.754 113.579 108.800 0.042 0.000 2.629 143 G HA2 -0.406 3.554 3.960 -0.001 0.000 0.313 143 G HA3 -0.406 3.554 3.960 -0.001 0.000 0.313 143 G C 0.564 175.485 174.900 0.035 0.000 1.217 143 G CA 0.693 45.814 45.100 0.034 0.000 0.994 143 G HN 0.787 nan 8.290 nan 0.000 0.549 144 D N 1.018 121.438 120.400 0.032 0.000 2.328 144 D HA 0.132 4.772 4.640 -0.001 0.000 0.221 144 D C 0.249 176.588 176.300 0.065 0.000 1.072 144 D CA 0.378 54.404 54.000 0.043 0.000 0.850 144 D CB 0.191 41.014 40.800 0.038 0.000 0.922 144 D HN 0.286 nan 8.370 nan 0.000 0.516 145 K N 1.378 121.816 120.400 0.063 0.000 2.265 145 K HA 0.331 4.650 4.320 -0.001 0.000 0.267 145 K C -0.085 176.597 176.600 0.136 0.000 0.994 145 K CA -0.954 55.402 56.287 0.115 0.000 0.860 145 K CB 2.540 35.043 32.500 0.005 0.000 1.099 145 K HN 0.150 nan 8.250 nan 0.000 0.448 146 I N 4.324 125.008 120.570 0.190 0.000 2.598 146 I HA -0.093 4.077 4.170 -0.001 0.000 0.284 146 I C 0.676 176.912 176.117 0.199 0.000 1.140 146 I CA 0.170 61.560 61.300 0.150 0.000 1.420 146 I CB 0.341 38.406 38.000 0.107 0.000 1.387 146 I HN 0.603 nan 8.210 nan 0.000 0.553 147 I N 5.044 125.684 120.570 0.117 0.000 4.338 147 I HA 0.655 4.825 4.170 -0.001 0.000 0.329 147 I C 0.413 176.549 176.117 0.031 0.000 1.378 147 I CA 0.001 61.363 61.300 0.104 0.000 1.170 147 I CB 0.189 38.213 38.000 0.039 0.000 1.206 147 I HN 0.535 nan 8.210 nan 0.000 0.432 148 G N 0.767 109.570 108.800 0.005 0.000 2.430 148 G HA2 0.675 4.635 3.960 -0.001 0.000 0.300 148 G HA3 0.675 4.635 3.960 -0.001 0.000 0.300 148 G C -2.093 172.788 174.900 -0.031 0.000 1.330 148 G CA -0.769 44.294 45.100 -0.061 0.000 0.813 148 G HN 0.086 nan 8.290 nan 0.000 0.487 149 L N -0.606 120.589 121.223 -0.047 0.000 2.415 149 L HA 0.779 5.119 4.340 -0.001 0.000 0.256 149 L C -0.561 176.466 176.870 0.262 0.000 1.010 149 L CA -0.956 53.933 54.840 0.082 0.000 0.826 149 L CB 2.888 44.891 42.059 -0.093 0.000 1.405 149 L HN 0.591 nan 8.230 nan 0.000 0.410 150 K N 1.618 122.280 120.400 0.437 0.000 2.501 150 K HA 0.484 4.804 4.320 -0.001 0.000 0.252 150 K C -1.727 174.990 176.600 0.195 0.000 0.934 150 K CA -0.545 55.935 56.287 0.321 0.000 0.797 150 K CB 2.424 35.008 32.500 0.141 0.000 1.270 150 K HN 0.629 nan 8.250 nan 0.000 0.431 151 Q N 3.107 122.831 119.800 -0.127 0.000 2.406 151 Q HA 0.316 4.656 4.340 -0.001 0.000 0.244 151 Q C 0.022 175.824 176.000 -0.329 0.000 0.884 151 Q CA 0.230 55.752 55.803 -0.468 0.000 0.813 151 Q CB 1.379 29.310 28.738 -1.345 0.000 1.368 151 Q HN 0.900 nan 8.270 nan 0.000 0.439 152 G N 3.793 112.475 108.800 -0.196 0.000 2.622 152 G HA2 -0.392 3.567 3.960 -0.001 0.000 0.307 152 G HA3 -0.392 3.567 3.960 -0.001 0.000 0.307 152 G C 0.199 175.043 174.900 -0.094 0.000 1.226 152 G CA 0.637 45.657 45.100 -0.133 0.000 0.997 152 G HN 0.617 nan 8.290 nan 0.000 0.551 153 K N 1.362 121.709 120.400 -0.089 0.000 2.410 153 K HA 0.249 4.568 4.320 -0.001 0.000 0.200 153 K C 0.964 177.532 176.600 -0.054 0.000 1.023 153 K CA 0.151 56.399 56.287 -0.065 0.000 1.149 153 K CB 0.397 32.856 32.500 -0.067 0.000 0.859 153 K HN 0.487 nan 8.250 nan 0.000 0.514 154 Q N -0.042 119.725 119.800 -0.055 0.000 2.226 154 Q HA 0.400 4.739 4.340 -0.001 0.000 0.256 154 Q C -0.744 175.336 176.000 0.134 0.000 0.962 154 Q CA -0.541 55.274 55.803 0.019 0.000 0.887 154 Q CB 2.247 31.007 28.738 0.036 0.000 1.282 154 Q HN -0.054 nan 8.270 nan 0.000 0.449 155 S N 1.171 116.956 115.700 0.141 0.000 2.541 155 S HA 0.577 5.047 4.470 -0.001 0.000 0.280 155 S C -0.835 173.748 174.600 -0.027 0.000 1.112 155 S CA -0.622 57.656 58.200 0.130 0.000 0.925 155 S CB 1.098 64.312 63.200 0.023 0.000 1.067 155 S HN 0.414 nan 8.310 nan 0.000 0.479 156 I N 2.749 123.229 120.570 -0.151 0.000 2.378 156 I HA 0.533 4.703 4.170 -0.001 0.000 0.291 156 I C 0.156 176.068 176.117 -0.343 0.000 0.992 156 I CA -0.102 60.944 61.300 -0.422 0.000 1.154 156 I CB 1.738 39.333 38.000 -0.675 0.000 1.315 156 I HN 0.735 nan 8.210 nan 0.000 0.448 157 S N 6.506 121.991 115.700 -0.359 0.000 2.697 157 S HA 0.791 5.260 4.470 -0.001 0.000 0.289 157 S C -0.991 173.477 174.600 -0.221 0.000 1.149 157 S CA -0.957 57.113 58.200 -0.218 0.000 0.850 157 S CB 1.759 64.902 63.200 -0.096 0.000 1.151 157 S HN 0.426 nan 8.310 nan 0.000 0.491 158 L N 1.520 122.716 121.223 -0.045 0.000 2.322 158 L HA 0.583 4.923 4.340 -0.001 0.000 0.281 158 L C 0.151 177.125 176.870 0.173 0.000 1.014 158 L CA -0.833 54.046 54.840 0.065 0.000 0.815 158 L CB 1.548 43.700 42.059 0.155 0.000 1.247 158 L HN 0.662 nan 8.230 nan 0.000 0.421 159 E N 2.859 123.117 120.200 0.097 0.000 2.369 159 E HA 0.164 4.513 4.350 -0.001 0.000 0.255 159 E C -1.682 174.855 176.600 -0.106 0.000 1.172 159 E CA -1.744 54.649 56.400 -0.011 0.000 0.932 159 E CB 0.616 30.283 29.700 -0.054 0.000 1.040 159 E HN 0.312 nan 8.360 nan 0.000 0.454 160 P HA -0.109 nan 4.420 nan 0.000 0.217 160 P C 0.859 178.102 177.300 -0.096 0.000 1.148 160 P CA 1.486 64.301 63.100 -0.476 0.000 0.828 160 P CB 0.203 31.506 31.700 -0.661 0.000 0.783 161 G N -2.293 106.484 108.800 -0.038 0.000 3.337 161 G HA2 0.366 4.326 3.960 -0.001 0.000 0.246 161 G HA3 0.366 4.326 3.960 -0.001 0.000 0.246 161 G C 0.950 175.930 174.900 0.134 0.000 1.131 161 G CA 0.246 45.378 45.100 0.054 0.000 0.773 161 G HN 0.379 nan 8.290 nan 0.000 0.544 162 G N -0.498 108.392 108.800 0.150 0.000 2.175 162 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.244 162 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.244 162 G C 0.326 175.388 174.900 0.271 0.000 0.982 162 G CA -0.005 45.230 45.100 0.224 0.000 0.641 162 G HN 0.599 nan 8.290 nan 0.000 0.527 163 Q N -0.625 119.293 119.800 0.196 0.000 2.315 163 Q HA 0.485 4.825 4.340 -0.001 0.000 0.289 163 Q C -0.167 175.953 176.000 0.199 0.000 1.044 163 Q CA 0.224 56.115 55.803 0.147 0.000 0.920 163 Q CB 0.427 29.128 28.738 -0.060 0.000 1.214 163 Q HN 0.309 nan 8.270 nan 0.000 0.392 164 F N 2.060 122.047 119.950 0.062 0.000 2.361 164 F HA 0.211 4.738 4.527 -0.001 0.000 0.364 164 F C 0.047 175.780 175.800 -0.112 0.000 1.120 164 F CA -0.494 57.514 58.000 0.013 0.000 1.102 164 F CB 0.746 39.775 39.000 0.049 0.000 1.183 164 F HN 0.486 nan 8.300 nan 0.000 0.476 165 E N 5.576 125.585 120.200 -0.319 0.000 2.179 165 E HA 0.434 4.783 4.350 -0.001 0.000 0.275 165 E C -1.795 174.486 176.600 -0.532 0.000 0.945 165 E CA -1.055 55.127 56.400 -0.363 0.000 0.792 165 E CB 1.573 31.135 29.700 -0.230 0.000 1.125 165 E HN 0.617 nan 8.360 nan 0.000 0.397 166 L N 3.377 124.179 121.223 -0.702 0.000 2.296 166 L HA 0.415 4.754 4.340 -0.001 0.000 0.286 166 L C -1.167 175.475 176.870 -0.379 0.000 1.023 166 L CA -0.116 54.326 54.840 -0.663 0.000 0.812 166 L CB 1.811 43.296 42.059 -0.958 0.000 1.223 166 L HN 0.367 nan 8.230 nan 0.000 0.421 167 S N 3.822 119.386 115.700 -0.227 0.000 2.420 167 S HA 0.672 5.141 4.470 -0.001 0.000 0.313 167 S C 0.342 174.890 174.600 -0.087 0.000 1.079 167 S CA -0.427 57.698 58.200 -0.125 0.000 1.104 167 S CB 0.935 64.087 63.200 -0.080 0.000 0.969 167 S HN 0.940 nan 8.310 nan 0.000 0.471 168 G N 1.900 110.656 108.800 -0.074 0.000 2.599 168 G HA2 0.586 4.546 3.960 -0.001 0.000 0.264 168 G HA3 0.586 4.546 3.960 -0.001 0.000 0.264 168 G C 0.135 174.996 174.900 -0.064 0.000 1.200 168 G CA -0.634 44.437 45.100 -0.048 0.000 0.896 168 G HN 0.875 nan 8.290 nan 0.000 0.536 169 A N 0.403 123.189 122.820 -0.056 0.000 2.346 169 A HA 0.612 4.932 4.320 -0.001 0.000 0.252 169 A C -2.196 175.339 177.584 -0.081 0.000 1.089 169 A CA -0.977 51.017 52.037 -0.071 0.000 0.797 169 A CB 0.117 19.079 19.000 -0.063 0.000 1.047 169 A HN 0.454 nan 8.150 nan 0.000 0.494 170 P HA 0.401 nan 4.420 nan 0.000 0.275 170 P C -1.081 176.189 177.300 -0.051 0.000 1.276 170 P CA 0.372 63.422 63.100 -0.083 0.000 0.782 170 P CB 0.289 31.933 31.700 -0.093 0.000 0.851 171 L N 2.161 123.360 121.223 -0.040 0.000 2.333 171 L HA 0.386 4.726 4.340 -0.001 0.000 0.269 171 L C 1.705 178.564 176.870 -0.018 0.000 1.010 171 L CA -0.604 54.216 54.840 -0.034 0.000 0.818 171 L CB 1.998 44.031 42.059 -0.043 0.000 1.306 171 L HN 0.301 nan 8.230 nan 0.000 0.430 172 E N 0.093 120.269 120.200 -0.040 0.000 2.112 172 E HA -0.061 4.288 4.350 -0.001 0.000 0.190 172 E C 0.259 176.775 176.600 -0.140 0.000 0.979 172 E CA 0.932 57.298 56.400 -0.056 0.000 0.814 172 E CB 0.492 30.137 29.700 -0.090 0.000 0.762 172 E HN 0.753 nan 8.360 nan 0.000 0.460 173 T N -3.371 111.073 114.554 -0.183 0.000 2.916 173 T HA 0.319 4.669 4.350 -0.001 0.000 0.292 173 T C 0.851 175.466 174.700 -0.143 0.000 1.064 173 T CA -0.753 61.208 62.100 -0.232 0.000 1.011 173 T CB 1.257 69.919 68.868 -0.343 0.000 1.152 173 T HN 0.006 nan 8.240 nan 0.000 0.510 174 L N 0.649 121.756 121.223 -0.194 0.000 2.376 174 L HA 0.034 4.374 4.340 -0.001 0.000 0.219 174 L C 2.599 179.218 176.870 -0.420 0.000 1.133 174 L CA 0.625 55.239 54.840 -0.378 0.000 0.816 174 L CB -0.639 41.118 42.059 -0.504 0.000 0.933 174 L HN 0.731 nan 8.230 nan 0.000 0.449 175 H N 0.184 119.298 119.070 0.074 0.000 2.357 175 H HA -0.124 4.432 4.556 -0.001 0.000 0.301 175 H C 2.135 177.510 175.328 0.078 0.000 1.082 175 H CA 1.393 57.573 56.048 0.220 0.000 1.342 175 H CB -0.064 29.825 29.762 0.210 0.000 1.389 175 H HN 0.493 nan 8.280 nan 0.000 0.511 176 Q N -0.049 119.820 119.800 0.116 0.000 2.079 176 Q HA -0.087 4.252 4.340 -0.001 0.000 0.200 176 Q C 2.284 178.287 176.000 0.005 0.000 0.974 176 Q CA 1.737 57.567 55.803 0.044 0.000 0.840 176 Q CB -0.054 28.685 28.738 0.001 0.000 0.898 176 Q HN 0.355 nan 8.270 nan 0.000 0.430 177 T N 0.461 114.981 114.554 -0.056 0.000 2.635 177 T HA -0.250 4.099 4.350 -0.001 0.000 0.267 177 T C 1.967 176.644 174.700 -0.038 0.000 1.040 177 T CA 1.351 63.405 62.100 -0.076 0.000 1.156 177 T CB -0.665 68.107 68.868 -0.161 0.000 0.863 177 T HN 0.412 nan 8.240 nan 0.000 0.430 178 c N 1.344 119.907 118.600 -0.061 0.000 2.435 178 c HA 0.239 4.809 4.570 -0.001 0.000 0.279 178 c C 3.139 177.302 174.090 0.121 0.000 1.321 178 c CA 0.385 56.759 56.329 0.076 0.000 1.752 178 c CB -1.525 41.107 42.510 0.202 0.000 1.959 178 c HN 0.625 nan 8.230 nan 0.000 0.500 179 A N -0.229 122.656 122.820 0.107 0.000 1.930 179 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 179 A C 2.148 179.763 177.584 0.051 0.000 1.175 179 A CA 1.864 53.945 52.037 0.073 0.000 0.627 179 A CB -0.748 18.295 19.000 0.072 0.000 0.815 179 A HN 0.778 nan 8.150 nan 0.000 0.443 180 E N -0.131 120.099 120.200 0.051 0.000 2.051 180 E HA -0.138 4.211 4.350 -0.001 0.000 0.192 180 E C 1.883 178.544 176.600 0.102 0.000 0.991 180 E CA 1.466 57.902 56.400 0.060 0.000 0.799 180 E CB -0.138 29.584 29.700 0.038 0.000 0.748 180 E HN 0.310 nan 8.360 nan 0.000 0.449 181 V N 2.348 122.322 119.914 0.100 0.000 2.287 181 V HA -0.317 3.803 4.120 -0.001 0.000 0.248 181 V C 2.527 178.679 176.094 0.096 0.000 1.053 181 V CA 2.113 64.489 62.300 0.126 0.000 1.027 181 V CB -0.868 31.014 31.823 0.098 0.000 0.646 181 V HN 0.472 nan 8.190 nan 0.000 0.447 182 N N -0.145 118.577 118.700 0.037 0.000 2.069 182 N HA -0.219 4.521 4.740 -0.001 0.000 0.191 182 N C 2.148 177.666 175.510 0.013 0.000 1.031 182 N CA 1.966 54.992 53.050 -0.040 0.000 0.852 182 N CB -0.100 38.327 38.487 -0.099 0.000 1.018 182 N HN 0.443 nan 8.380 nan 0.000 0.423 183 S N -0.313 115.414 115.700 0.045 0.000 2.370 183 S HA -0.226 4.243 4.470 -0.001 0.000 0.226 183 S C 1.974 176.628 174.600 0.090 0.000 1.033 183 S CA 1.642 59.880 58.200 0.063 0.000 1.011 183 S CB -0.607 62.630 63.200 0.062 0.000 0.852 183 S HN 0.620 nan 8.310 nan 0.000 0.457 184 H N 1.049 120.134 119.070 0.026 0.000 2.326 184 H HA 0.116 4.671 4.556 -0.001 0.000 0.301 184 H C 1.935 177.215 175.328 -0.079 0.000 1.081 184 H CA 2.065 58.113 56.048 0.000 0.000 1.334 184 H CB -0.566 29.225 29.762 0.048 0.000 1.385 184 H HN 0.380 nan 8.280 nan 0.000 0.504 185 L N -0.727 120.367 121.223 -0.215 0.000 2.083 185 L HA -0.190 4.150 4.340 -0.001 0.000 0.209 185 L C 2.298 179.036 176.870 -0.220 0.000 1.083 185 L CA 1.492 56.155 54.840 -0.296 0.000 0.752 185 L CB -0.670 41.301 42.059 -0.146 0.000 0.899 185 L HN 0.335 nan 8.230 nan 0.000 0.433 186 Y N 1.088 121.269 120.300 -0.198 0.000 2.114 186 Y HA -0.301 4.248 4.550 -0.001 0.000 0.284 186 Y C 2.710 178.482 175.900 -0.213 0.000 1.143 186 Y CA 1.725 59.724 58.100 -0.168 0.000 1.135 186 Y CB -0.324 38.045 38.460 -0.151 0.000 0.980 186 Y HN 0.157 nan 8.280 nan 0.000 0.499 187 Q N -0.758 118.753 119.800 -0.481 0.000 2.084 187 Q HA -0.164 4.175 4.340 -0.001 0.000 0.202 187 Q C 2.350 178.129 176.000 -0.370 0.000 0.978 187 Q CA 1.955 57.357 55.803 -0.668 0.000 0.844 187 Q CB -0.332 27.979 28.738 -0.711 0.000 0.898 187 Q HN 0.409 nan 8.270 nan 0.000 0.426 188 V N 1.239 120.904 119.914 -0.415 0.000 2.295 188 V HA -0.273 3.846 4.120 -0.001 0.000 0.246 188 V C 1.983 177.927 176.094 -0.251 0.000 1.049 188 V CA 1.925 63.994 62.300 -0.385 0.000 1.024 188 V CB -0.371 31.034 31.823 -0.697 0.000 0.648 188 V HN 0.284 nan 8.190 nan 0.000 0.447 189 K N 0.249 120.493 120.400 -0.260 0.000 2.148 189 K HA -0.048 4.271 4.320 -0.001 0.000 0.204 189 K C 2.248 178.732 176.600 -0.193 0.000 1.050 189 K CA 1.271 57.465 56.287 -0.155 0.000 0.942 189 K CB -0.431 32.001 32.500 -0.113 0.000 0.724 189 K HN 0.467 nan 8.250 nan 0.000 0.446 190 A N 0.728 123.336 122.820 -0.353 0.000 1.978 190 A HA -0.131 4.189 4.320 -0.001 0.000 0.220 190 A C 2.246 179.779 177.584 -0.086 0.000 1.170 190 A CA 1.539 53.409 52.037 -0.279 0.000 0.636 190 A CB -0.377 18.382 19.000 -0.402 0.000 0.810 190 A HN 0.087 nan 8.150 nan 0.000 0.448 191 V N -1.133 118.747 119.914 -0.056 0.000 2.575 191 V HA 0.020 4.139 4.120 -0.001 0.000 0.242 191 V C 2.897 178.957 176.094 -0.057 0.000 1.045 191 V CA 1.314 63.595 62.300 -0.032 0.000 1.065 191 V CB -0.823 31.000 31.823 -0.001 0.000 0.717 191 V HN 0.541 nan 8.190 nan 0.000 0.467 192 A N -0.411 122.371 122.820 -0.063 0.000 2.015 192 A HA -0.188 4.131 4.320 -0.001 0.000 0.219 192 A C 2.120 179.651 177.584 -0.088 0.000 1.163 192 A CA 1.570 53.567 52.037 -0.067 0.000 0.646 192 A CB -0.393 18.614 19.000 0.012 0.000 0.806 192 A HN 0.581 nan 8.150 nan 0.000 0.448 193 E N 0.424 120.583 120.200 -0.070 0.000 2.077 193 E HA -0.144 4.206 4.350 -0.001 0.000 0.193 193 E C 0.553 177.118 176.600 -0.058 0.000 0.989 193 E CA 0.834 57.197 56.400 -0.062 0.000 0.800 193 E CB -0.058 29.617 29.700 -0.041 0.000 0.746 193 E HN 0.783 nan 8.360 nan 0.000 0.452 197 I N 1.598 122.021 120.570 -0.246 0.000 2.412 197 I HA 0.658 4.828 4.170 -0.001 0.000 0.296 197 I C 0.686 176.488 176.117 -0.526 0.000 0.987 197 I CA -0.498 60.552 61.300 -0.416 0.000 1.180 197 I CB 1.510 39.267 38.000 -0.404 0.000 1.340 197 I HN 0.086 nan 8.210 nan 0.000 0.455 198 G N 4.794 113.027 108.800 -0.944 0.000 2.568 198 G HA2 0.738 4.697 3.960 -0.001 0.000 0.313 198 G HA3 0.738 4.697 3.960 -0.001 0.000 0.313 198 G C -1.623 172.601 174.900 -1.126 0.000 1.227 198 G CA -0.357 44.182 45.100 -0.934 0.000 0.979 198 G HN 0.292 nan 8.290 nan 0.000 0.486 199 F N -0.571 119.357 119.950 -0.037 0.000 2.520 199 F HA 0.561 5.087 4.527 -0.001 0.000 0.322 199 F C -0.179 176.063 175.800 0.737 0.000 1.103 199 F CA -0.782 57.456 58.000 0.397 0.000 0.926 199 F CB 2.511 41.700 39.000 0.314 0.000 1.154 199 F HN 0.334 nan 8.300 nan 0.000 0.453 200 L N 2.698 124.460 121.223 0.898 0.000 2.313 200 L HA 0.886 5.226 4.340 -0.001 0.000 0.283 200 L C -0.119 177.031 176.870 0.467 0.000 1.013 200 L CA 0.030 55.169 54.840 0.499 0.000 0.816 200 L CB 1.272 43.446 42.059 0.192 0.000 1.236 200 L HN 0.650 nan 8.230 nan 0.000 0.419 204 F N 1.508 121.632 119.950 0.291 0.000 2.581 204 F HA 0.692 5.218 4.527 -0.001 0.000 0.311 204 F C -0.576 175.220 175.800 -0.007 0.000 1.113 204 F CA -1.243 56.877 58.000 0.199 0.000 0.935 204 F CB 2.323 41.369 39.000 0.077 0.000 1.232 204 F HN -0.029 nan 8.300 nan 0.000 0.445 205 Q N 7.767 127.046 119.800 -0.868 0.000 2.242 205 Q HA 0.169 4.508 4.340 -0.001 0.000 0.284 205 Q C -2.081 173.681 176.000 -0.398 0.000 1.130 205 Q CA -1.665 53.542 55.803 -0.994 0.000 0.940 205 Q CB 0.850 28.938 28.738 -1.084 0.000 1.146 205 Q HN 0.384 nan 8.270 nan 0.000 0.388 206 P HA -0.024 nan 4.420 nan 0.000 0.236 206 P C 0.160 177.418 177.300 -0.071 0.000 1.177 206 P CA 0.783 63.898 63.100 0.024 0.000 0.773 206 P CB 0.530 32.239 31.700 0.015 0.000 0.878 207 K N -1.618 118.654 120.400 -0.213 0.000 2.380 207 K HA 0.115 4.434 4.320 -0.001 0.000 0.200 207 K C 0.074 176.354 176.600 -0.534 0.000 1.201 207 K CA 0.126 56.115 56.287 -0.497 0.000 0.916 207 K CB 0.295 32.252 32.500 -0.906 0.000 1.187 207 K HN -0.031 nan 8.250 nan 0.000 0.498 208 W N 2.152 123.419 121.300 -0.055 0.000 2.516 208 W HA 0.433 5.092 4.660 -0.001 0.000 0.343 208 W C 0.038 176.528 176.519 -0.050 0.000 1.094 208 W CA -1.134 56.176 57.345 -0.058 0.000 1.250 208 W CB 0.914 30.327 29.460 -0.078 0.000 1.308 208 W HN -0.167 nan 8.180 nan 0.000 0.588 209 R N 0.977 121.640 120.500 0.271 0.000 2.649 209 R HA 0.219 4.559 4.340 -0.001 0.000 0.270 209 R C 1.658 178.020 176.300 0.103 0.000 1.105 209 R CA -0.770 55.421 56.100 0.151 0.000 1.193 209 R CB 0.512 30.888 30.300 0.127 0.000 1.120 209 R HN 0.547 nan 8.270 nan 0.000 0.561 210 R N 1.458 122.002 120.500 0.073 0.000 2.091 210 R HA -0.164 4.175 4.340 -0.001 0.000 0.238 210 R C 1.565 177.880 176.300 0.025 0.000 1.136 210 R CA 2.015 58.138 56.100 0.039 0.000 0.959 210 R CB 0.018 30.341 30.300 0.039 0.000 0.856 210 R HN 0.711 nan 8.270 nan 0.000 0.437 211 E N -0.346 119.872 120.200 0.031 0.000 2.482 211 E HA -0.124 4.226 4.350 -0.001 0.000 0.196 211 E C 0.313 176.911 176.600 -0.003 0.000 1.047 211 E CA 0.655 57.063 56.400 0.014 0.000 0.869 211 E CB 0.089 29.799 29.700 0.017 0.000 0.836 211 E HN 0.346 nan 8.360 nan 0.000 0.520 212 D N 0.885 121.288 120.400 0.005 0.000 2.347 212 D HA 0.062 4.702 4.640 -0.001 0.000 0.213 212 D C 0.490 176.724 176.300 -0.110 0.000 0.985 212 D CA 0.180 54.141 54.000 -0.065 0.000 0.879 212 D CB 0.364 41.149 40.800 -0.025 0.000 0.919 212 D HN 0.181 nan 8.370 nan 0.000 0.526 213 I N 2.917 123.460 120.570 -0.045 0.000 2.416 213 I HA 0.161 4.331 4.170 -0.001 0.000 0.288 213 I C -2.013 174.090 176.117 -0.023 0.000 1.051 213 I CA -2.570 58.709 61.300 -0.034 0.000 1.375 213 I CB 0.155 38.154 38.000 -0.001 0.000 1.407 213 I HN -0.294 nan 8.210 nan 0.000 0.516 214 P HA 0.183 nan 4.420 nan 0.000 0.271 214 P C 0.040 177.362 177.300 0.038 0.000 1.216 214 P CA -0.135 62.973 63.100 0.014 0.000 0.776 214 P CB 0.443 32.164 31.700 0.036 0.000 0.881 218 K N 0.058 120.375 120.400 -0.138 0.000 2.502 218 K HA 0.525 4.845 4.320 -0.001 0.000 0.254 218 K C 1.265 177.681 176.600 -0.307 0.000 0.947 218 K CA -0.431 55.689 56.287 -0.279 0.000 0.834 218 K CB 2.316 34.499 32.500 -0.528 0.000 1.112 218 K HN 0.244 nan 8.250 nan 0.000 0.427 219 G N 3.184 111.821 108.800 -0.273 0.000 2.469 219 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.220 219 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.220 219 G C 1.440 176.078 174.900 -0.437 0.000 1.136 219 G CA 0.953 45.919 45.100 -0.223 0.000 0.759 219 G HN 0.702 nan 8.290 nan 0.000 0.562 220 R N -1.140 118.782 120.500 -0.964 0.000 2.096 220 R HA -0.072 4.267 4.340 -0.001 0.000 0.235 220 R C 2.161 178.271 176.300 -0.315 0.000 1.127 220 R CA 1.519 56.983 56.100 -1.059 0.000 0.968 220 R CB -0.756 28.574 30.300 -1.616 0.000 0.861 220 R HN 0.353 nan 8.270 nan 0.000 0.440 221 Y N 2.089 122.229 120.300 -0.266 0.000 2.293 221 Y HA -0.077 4.472 4.550 -0.001 0.000 0.291 221 Y C 1.878 177.721 175.900 -0.095 0.000 1.137 221 Y CA 0.454 58.477 58.100 -0.129 0.000 1.202 221 Y CB -0.612 37.789 38.460 -0.099 0.000 0.990 221 Y HN 0.102 nan 8.280 nan 0.000 0.537 222 D N 0.336 120.766 120.400 0.050 0.000 2.117 222 D HA -0.110 4.530 4.640 -0.001 0.000 0.197 222 D C 1.196 177.517 176.300 0.035 0.000 0.987 222 D CA 0.846 54.863 54.000 0.028 0.000 0.829 222 D CB -0.370 40.430 40.800 0.000 0.000 0.961 222 D HN 0.207 nan 8.370 nan 0.000 0.460 226 N N 0.324 119.062 118.700 0.064 0.000 2.244 226 N HA -0.117 4.623 4.740 -0.001 0.000 0.183 226 N C 0.295 175.882 175.510 0.127 0.000 1.016 226 N CA 0.923 54.022 53.050 0.082 0.000 0.866 226 N CB 0.273 38.812 38.487 0.087 0.000 0.980 226 N HN 0.026 nan 8.380 nan 0.000 0.430 230 K N 0.739 121.027 120.400 -0.187 0.000 2.366 230 K HA 0.114 4.433 4.320 -0.001 0.000 0.198 230 K C 1.290 177.761 176.600 -0.216 0.000 1.044 230 K CA 1.603 57.768 56.287 -0.203 0.000 0.973 230 K CB 0.364 32.705 32.500 -0.266 0.000 0.767 230 K HN 0.258 nan 8.250 nan 0.000 0.475 231 V N -4.340 115.427 119.914 -0.246 0.000 3.398 231 V HA 0.440 4.559 4.120 -0.001 0.000 0.298 231 V C 0.317 176.375 176.094 -0.060 0.000 1.496 231 V CA -0.131 62.080 62.300 -0.148 0.000 1.044 231 V CB 0.744 32.464 31.823 -0.172 0.000 0.880 231 V HN 0.136 nan 8.190 nan 0.000 0.443 232 G N 0.287 109.049 108.800 -0.065 0.000 2.368 232 G HA2 0.427 4.387 3.960 -0.001 0.000 0.293 232 G HA3 0.427 4.387 3.960 -0.001 0.000 0.293 232 G C 0.002 174.874 174.900 -0.046 0.000 1.467 232 G CA 0.314 45.391 45.100 -0.038 0.000 0.804 232 G HN 0.612 nan 8.290 nan 0.000 0.535 233 S N -1.011 114.665 115.700 -0.040 0.000 2.511 233 S HA 0.245 4.714 4.470 -0.001 0.000 0.214 233 S C 1.400 175.971 174.600 -0.048 0.000 0.997 233 S CA 0.134 58.312 58.200 -0.035 0.000 0.908 233 S CB -0.001 63.188 63.200 -0.018 0.000 0.803 233 S HN 0.406 nan 8.310 nan 0.000 0.504 234 L N 0.722 121.899 121.223 -0.077 0.000 2.858 234 L HA 0.431 4.770 4.340 -0.001 0.000 0.251 234 L C 2.267 179.050 176.870 -0.145 0.000 1.149 234 L CA 0.302 55.078 54.840 -0.106 0.000 0.955 234 L CB -0.026 41.940 42.059 -0.154 0.000 1.289 234 L HN 0.453 nan 8.230 nan 0.000 0.542 235 G N 0.618 109.339 108.800 -0.132 0.000 2.432 235 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.219 235 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.219 235 G C 1.482 176.284 174.900 -0.162 0.000 1.135 235 G CA 0.439 45.438 45.100 -0.169 0.000 0.767 235 G HN 0.225 nan 8.290 nan 0.000 0.550 236 L N 0.269 121.430 121.223 -0.103 0.000 2.141 236 L HA 0.053 4.392 4.340 -0.001 0.000 0.209 236 L C 1.106 177.927 176.870 -0.082 0.000 1.094 236 L CA 0.259 55.049 54.840 -0.084 0.000 0.763 236 L CB -0.372 41.659 42.059 -0.047 0.000 0.908 236 L HN 0.112 nan 8.230 nan 0.000 0.437 241 R N 0.361 120.850 120.500 -0.018 0.000 2.549 241 R HA 0.220 4.560 4.340 -0.001 0.000 0.361 241 R C 0.059 176.355 176.300 -0.007 0.000 0.969 241 R CA 0.469 56.478 56.100 -0.152 0.000 1.158 241 R CB 1.567 31.530 30.300 -0.562 0.000 1.456 241 R HN 0.261 nan 8.270 nan 0.000 0.540 242 T N -2.170 112.497 114.554 0.187 0.000 2.918 242 T HA 0.578 4.927 4.350 -0.001 0.000 0.286 242 T C -0.176 174.603 174.700 0.131 0.000 1.026 242 T CA -0.619 61.645 62.100 0.274 0.000 1.031 242 T CB 2.193 71.157 68.868 0.159 0.000 1.046 242 T HN -0.029 nan 8.240 nan 0.000 0.479 243 C N 1.734 121.100 119.300 0.111 0.000 2.547 243 C HA 0.852 5.311 4.460 -0.001 0.000 0.313 243 C C 0.369 175.419 174.990 0.100 0.000 1.191 243 C CA -0.455 58.528 59.018 -0.059 0.000 1.474 243 C CB 1.532 29.079 27.740 -0.321 0.000 2.081 243 C HN 1.151 nan 8.230 nan 0.000 0.476 244 T N 1.177 115.789 114.554 0.096 0.000 2.924 244 T HA 0.720 5.070 4.350 -0.001 0.000 0.291 244 T C -1.323 173.445 174.700 0.112 0.000 1.045 244 T CA -0.354 61.819 62.100 0.121 0.000 1.015 244 T CB 1.584 70.527 68.868 0.125 0.000 1.103 244 T HN 0.679 nan 8.240 nan 0.000 0.496 245 V N 4.830 124.794 119.914 0.084 0.000 2.409 245 V HA 0.709 4.828 4.120 -0.001 0.000 0.291 245 V C -0.741 175.353 176.094 0.001 0.000 1.020 245 V CA -0.388 61.954 62.300 0.070 0.000 0.848 245 V CB 1.238 33.098 31.823 0.062 0.000 0.990 245 V HN 1.038 nan 8.190 nan 0.000 0.430 246 Q N 4.957 124.765 119.800 0.012 0.000 2.458 246 Q HA 0.850 5.190 4.340 -0.001 0.000 0.282 246 Q C -1.992 173.993 176.000 -0.026 0.000 1.106 246 Q CA -0.844 54.945 55.803 -0.023 0.000 0.814 246 Q CB 2.594 31.314 28.738 -0.030 0.000 1.425 246 Q HN 0.588 nan 8.270 nan 0.000 0.437 247 V N 1.547 121.425 119.914 -0.059 0.000 2.789 247 V HA 0.539 4.658 4.120 -0.001 0.000 0.311 247 V C -1.740 174.287 176.094 -0.111 0.000 1.073 247 V CA -0.707 61.551 62.300 -0.070 0.000 0.921 247 V CB 2.286 34.093 31.823 -0.026 0.000 1.009 247 V HN 0.915 nan 8.190 nan 0.000 0.426 248 N N 6.152 124.789 118.700 -0.105 0.000 2.372 248 N HA 0.716 5.456 4.740 -0.001 0.000 0.291 248 N C -1.224 174.218 175.510 -0.115 0.000 1.024 248 N CA -0.243 52.758 53.050 -0.083 0.000 0.873 248 N CB 2.052 40.417 38.487 -0.203 0.000 1.206 248 N HN 0.576 nan 8.380 nan 0.000 0.486 249 L N 0.512 121.693 121.223 -0.071 0.000 2.376 249 L HA 0.503 4.842 4.340 -0.001 0.000 0.258 249 L C -0.542 176.309 176.870 -0.032 0.000 1.013 249 L CA -1.007 53.787 54.840 -0.077 0.000 0.822 249 L CB 2.255 44.172 42.059 -0.237 0.000 1.388 249 L HN 0.255 nan 8.230 nan 0.000 0.413 250 D N 0.751 121.105 120.400 -0.077 0.000 2.277 250 D HA 0.579 5.218 4.640 -0.001 0.000 0.250 250 D C -0.907 175.063 176.300 -0.550 0.000 1.032 250 D CA 0.067 53.851 54.000 -0.361 0.000 0.947 250 D CB 2.088 42.688 40.800 -0.334 0.000 1.159 250 D HN 0.203 nan 8.370 nan 0.000 0.460 251 F N -1.733 118.032 119.950 -0.310 0.000 2.593 251 F HA 0.459 4.985 4.527 -0.001 0.000 0.320 251 F C 0.971 176.819 175.800 0.081 0.000 1.060 251 F CA -1.009 56.858 58.000 -0.221 0.000 0.940 251 F CB 1.127 40.074 39.000 -0.090 0.000 1.268 251 F HN 0.183 nan 8.300 nan 0.000 0.475 252 S N -0.930 115.050 115.700 0.467 0.000 2.512 252 S HA 0.439 4.908 4.470 -0.001 0.000 0.216 252 S C 0.138 174.945 174.600 0.345 0.000 1.006 252 S CA 0.471 58.938 58.200 0.444 0.000 0.915 252 S CB -0.614 62.889 63.200 0.504 0.000 0.824 252 S HN 1.111 nan 8.310 nan 0.000 0.497 253 S N -0.212 115.718 115.700 0.384 0.000 2.636 253 S HA 0.448 4.918 4.470 -0.001 0.000 0.268 253 S C 0.223 174.965 174.600 0.236 0.000 1.159 253 S CA -0.492 57.883 58.200 0.291 0.000 0.815 253 S CB 1.116 64.423 63.200 0.178 0.000 1.130 253 S HN 0.059 nan 8.310 nan 0.000 0.471 254 E N 0.472 120.774 120.200 0.169 0.000 2.077 254 E HA -0.079 4.271 4.350 -0.001 0.000 0.193 254 E C 2.113 178.584 176.600 -0.216 0.000 0.989 254 E CA 1.369 57.675 56.400 -0.158 0.000 0.800 254 E CB -0.489 29.147 29.700 -0.106 0.000 0.746 254 E HN 0.730 nan 8.360 nan 0.000 0.452 255 A N 1.025 123.804 122.820 -0.068 0.000 1.908 255 A HA -0.176 4.143 4.320 -0.001 0.000 0.218 255 A C 1.308 178.870 177.584 -0.038 0.000 1.181 255 A CA 1.472 53.478 52.037 -0.051 0.000 0.627 255 A CB -0.571 18.429 19.000 0.000 0.000 0.818 255 A HN 0.391 nan 8.150 nan 0.000 0.445 259 R N 1.885 122.348 120.500 -0.062 0.000 2.081 259 R HA -0.069 4.271 4.340 -0.001 0.000 0.235 259 R C 1.856 178.131 176.300 -0.041 0.000 1.131 259 R CA 1.590 57.661 56.100 -0.048 0.000 0.960 259 R CB -0.147 30.144 30.300 -0.015 0.000 0.856 259 R HN 0.291 nan 8.270 nan 0.000 0.436 260 K N -0.274 120.100 120.400 -0.043 0.000 2.097 260 K HA -0.090 4.230 4.320 -0.001 0.000 0.205 260 K C 1.819 178.384 176.600 -0.059 0.000 1.050 260 K CA 1.111 57.366 56.287 -0.054 0.000 0.938 260 K CB -0.126 32.324 32.500 -0.084 0.000 0.718 260 K HN 0.138 nan 8.250 nan 0.000 0.442 261 F N 1.566 121.368 119.950 -0.247 0.000 2.102 261 F HA -0.208 4.318 4.527 -0.001 0.000 0.298 261 F C 2.346 177.923 175.800 -0.371 0.000 1.105 261 F CA 1.031 58.837 58.000 -0.324 0.000 1.239 261 F CB 0.196 38.975 39.000 -0.369 0.000 0.991 261 F HN -0.049 nan 8.300 nan 0.000 0.474 262 R N 0.032 120.402 120.500 -0.218 0.000 2.075 262 R HA -0.128 4.211 4.340 -0.001 0.000 0.232 262 R C 2.365 178.667 176.300 0.002 0.000 1.126 262 R CA 1.096 56.958 56.100 -0.396 0.000 0.963 262 R CB -0.671 29.329 30.300 -0.499 0.000 0.858 262 R HN 0.300 nan 8.270 nan 0.000 0.435 263 A N 0.856 123.680 122.820 0.008 0.000 1.877 263 A HA -0.094 4.226 4.320 -0.001 0.000 0.216 263 A C 2.391 180.066 177.584 0.151 0.000 1.186 263 A CA 1.813 53.891 52.037 0.069 0.000 0.620 263 A CB -1.254 17.779 19.000 0.056 0.000 0.822 263 A HN 0.463 nan 8.150 nan 0.000 0.443 264 G N -0.198 108.633 108.800 0.052 0.000 2.459 264 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.217 264 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.217 264 G C 1.600 176.525 174.900 0.042 0.000 1.183 264 G CA 1.120 46.155 45.100 -0.109 0.000 0.776 264 G HN 0.418 nan 8.290 nan 0.000 0.552 265 L N 0.665 121.957 121.223 0.115 0.000 1.994 265 L HA -0.054 4.285 4.340 -0.001 0.000 0.208 265 L C 3.474 180.493 176.870 0.249 0.000 1.071 265 L CA 1.122 56.068 54.840 0.176 0.000 0.745 265 L CB -0.480 41.698 42.059 0.198 0.000 0.892 265 L HN 0.311 nan 8.230 nan 0.000 0.431 266 A N -0.078 122.930 122.820 0.313 0.000 1.917 266 A HA -0.191 4.129 4.320 -0.001 0.000 0.219 266 A C 2.127 179.925 177.584 0.358 0.000 1.182 266 A CA 1.632 53.847 52.037 0.298 0.000 0.633 266 A CB -0.741 18.342 19.000 0.140 0.000 0.819 266 A HN 0.419 nan 8.150 nan 0.000 0.448 267 L N -1.043 120.386 121.223 0.343 0.000 2.591 267 L HA -0.041 4.298 4.340 -0.001 0.000 0.228 267 L C 2.475 179.652 176.870 0.513 0.000 1.133 267 L CA 0.495 55.586 54.840 0.417 0.000 0.880 267 L CB -0.278 42.021 42.059 0.401 0.000 1.033 267 L HN 0.416 nan 8.230 nan 0.000 0.450 268 Q N 1.188 121.259 119.800 0.453 0.000 2.061 268 Q HA -0.153 4.187 4.340 -0.001 0.000 0.204 268 Q C -0.630 175.537 176.000 0.278 0.000 0.984 268 Q CA 2.070 58.113 55.803 0.401 0.000 0.846 268 Q CB -1.011 27.848 28.738 0.202 0.000 0.902 268 Q HN 0.245 nan 8.270 nan 0.000 0.421 269 P HA -0.122 nan 4.420 nan 0.000 0.219 269 P C 0.791 178.150 177.300 0.098 0.000 1.146 269 P CA 1.122 64.288 63.100 0.110 0.000 0.808 269 P CB -0.040 31.684 31.700 0.040 0.000 0.779 270 I N -0.616 120.038 120.570 0.139 0.000 2.202 270 I HA -0.242 3.928 4.170 -0.001 0.000 0.242 270 I C 2.348 178.489 176.117 0.038 0.000 1.091 270 I CA 1.397 62.757 61.300 0.099 0.000 1.368 270 I CB -0.755 37.348 38.000 0.171 0.000 1.058 270 I HN -0.078 nan 8.210 nan 0.000 0.410 271 A N 0.327 123.204 122.820 0.095 0.000 1.883 271 A HA -0.238 4.081 4.320 -0.001 0.000 0.217 271 A C 2.373 180.048 177.584 0.152 0.000 1.186 271 A CA 2.599 54.640 52.037 0.006 0.000 0.624 271 A CB -1.215 17.943 19.000 0.264 0.000 0.822 271 A HN 0.386 nan 8.150 nan 0.000 0.444 272 T N 0.331 114.977 114.554 0.152 0.000 2.720 272 T HA -0.097 4.253 4.350 -0.001 0.000 0.268 272 T C 2.190 176.956 174.700 0.110 0.000 1.037 272 T CA 1.829 64.013 62.100 0.140 0.000 1.144 272 T CB -0.494 68.446 68.868 0.120 0.000 0.864 272 T HN 0.631 nan 8.240 nan 0.000 0.444 273 A N 1.325 124.179 122.820 0.057 0.000 1.877 273 A HA 0.037 4.357 4.320 -0.001 0.000 0.216 273 A C 2.309 179.866 177.584 -0.044 0.000 1.186 273 A CA 1.113 53.151 52.037 0.003 0.000 0.620 273 A CB -0.802 18.183 19.000 -0.025 0.000 0.822 273 A HN 0.481 nan 8.150 nan 0.000 0.443 274 L N -2.315 118.856 121.223 -0.087 0.000 2.191 274 L HA -0.113 4.226 4.340 -0.001 0.000 0.212 274 L C 1.691 178.309 176.870 -0.419 0.000 1.103 274 L CA 1.205 55.876 54.840 -0.282 0.000 0.769 274 L CB -0.451 41.334 42.059 -0.457 0.000 0.908 274 L HN 0.411 nan 8.230 nan 0.000 0.438 275 F N -0.118 119.758 119.950 -0.123 0.000 2.678 275 F HA 0.321 4.847 4.527 -0.001 0.000 0.305 275 F C 1.437 177.223 175.800 -0.024 0.000 1.090 275 F CA -0.598 57.360 58.000 -0.070 0.000 1.272 275 F CB -0.019 38.948 39.000 -0.054 0.000 1.060 275 F HN -0.149 nan 8.300 nan 0.000 0.576 276 A N 1.262 124.136 122.820 0.090 0.000 2.561 276 A HA 0.092 4.411 4.320 -0.001 0.000 0.251 276 A C 0.587 178.189 177.584 0.030 0.000 1.062 276 A CA 0.634 52.709 52.037 0.063 0.000 0.761 276 A CB -0.329 18.683 19.000 0.020 0.000 0.986 276 A HN 0.399 nan 8.150 nan 0.000 0.510 277 N N 0.475 119.209 118.700 0.057 0.000 2.550 277 N HA 0.095 4.834 4.740 -0.001 0.000 0.277 277 N C -0.839 174.709 175.510 0.063 0.000 1.595 277 N CA 0.438 53.517 53.050 0.049 0.000 0.888 277 N CB 0.516 39.063 38.487 0.101 0.000 1.424 277 N HN 0.577 nan 8.380 nan 0.000 0.501 278 S N -0.949 114.758 115.700 0.012 0.000 2.512 278 S HA 0.369 4.839 4.470 -0.001 0.000 0.161 278 S C -2.507 172.029 174.600 -0.108 0.000 1.383 278 S CA -0.659 57.561 58.200 0.034 0.000 1.248 278 S CB 1.442 64.735 63.200 0.154 0.000 1.488 278 S HN 0.064 nan 8.310 nan 0.000 0.382 279 P HA 0.335 nan 4.420 nan 0.000 0.261 279 P C -0.616 176.369 177.300 -0.524 0.000 1.268 279 P CA 0.021 62.828 63.100 -0.488 0.000 0.833 279 P CB -0.217 31.043 31.700 -0.732 0.000 1.231 280 F N -0.344 119.596 119.950 -0.015 0.000 2.508 280 F HA 0.548 5.075 4.527 -0.001 0.000 0.325 280 F C 0.601 176.437 175.800 0.058 0.000 1.090 280 F CA -0.703 57.274 58.000 -0.038 0.000 0.945 280 F CB 1.572 40.544 39.000 -0.045 0.000 1.156 280 F HN -0.433 nan 8.300 nan 0.000 0.463 281 T N 1.515 116.207 114.554 0.229 0.000 2.928 281 T HA 0.339 4.689 4.350 -0.001 0.000 0.296 281 T C -0.585 174.193 174.700 0.130 0.000 1.000 281 T CA -0.912 61.325 62.100 0.228 0.000 0.989 281 T CB 1.258 70.208 68.868 0.137 0.000 1.005 281 T HN 0.654 nan 8.240 nan 0.000 0.442 282 E N 1.587 121.841 120.200 0.090 0.000 2.297 282 E HA -0.232 4.117 4.350 -0.001 0.000 0.228 282 E C 1.011 177.584 176.600 -0.045 0.000 1.213 282 E CA 0.866 57.265 56.400 -0.001 0.000 0.712 282 E CB -1.461 28.264 29.700 0.042 0.000 1.202 282 E HN 1.253 nan 8.360 nan 0.000 0.376 283 G N -0.509 108.244 108.800 -0.079 0.000 2.159 283 G HA2 -0.347 3.612 3.960 -0.001 0.000 0.256 283 G HA3 -0.347 3.612 3.960 -0.001 0.000 0.256 283 G C 0.109 175.000 174.900 -0.015 0.000 0.977 283 G CA 0.755 45.796 45.100 -0.099 0.000 0.652 283 G HN 0.266 nan 8.290 nan 0.000 0.531 284 K N -0.211 120.194 120.400 0.008 0.000 2.512 284 K HA 0.477 4.797 4.320 -0.001 0.000 0.263 284 K C -3.067 173.546 176.600 0.021 0.000 0.966 284 K CA -2.227 54.069 56.287 0.015 0.000 0.851 284 K CB 2.680 35.222 32.500 0.070 0.000 1.395 284 K HN -0.116 nan 8.250 nan 0.000 0.440 285 P HA -0.010 nan 4.420 nan 0.000 0.265 285 P C -0.254 177.046 177.300 0.000 0.000 1.193 285 P CA 0.129 63.203 63.100 -0.043 0.000 0.765 285 P CB 0.298 31.943 31.700 -0.091 0.000 0.823 286 N N 2.089 120.790 118.700 0.002 0.000 2.280 286 N HA 0.104 4.844 4.740 -0.001 0.000 0.192 286 N C 1.191 176.758 175.510 0.095 0.000 1.109 286 N CA 0.421 53.501 53.050 0.051 0.000 0.855 286 N CB -0.381 38.120 38.487 0.023 0.000 0.974 286 N HN 0.562 nan 8.380 nan 0.000 0.482 287 G N -1.428 107.360 108.800 -0.019 0.000 2.176 287 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.253 287 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.253 287 G C -0.267 174.436 174.900 -0.328 0.000 0.979 287 G CA 0.205 45.206 45.100 -0.165 0.000 0.641 287 G HN 0.331 nan 8.290 nan 0.000 0.530 288 F N -1.019 118.827 119.950 -0.174 0.000 2.575 288 F HA 0.719 5.246 4.527 -0.001 0.000 0.330 288 F C 1.475 177.171 175.800 -0.173 0.000 1.056 288 F CA -1.048 56.851 58.000 -0.168 0.000 0.964 288 F CB 1.328 40.222 39.000 -0.177 0.000 1.258 288 F HN -0.120 nan 8.300 nan 0.000 0.484 289 L N -0.423 120.835 121.223 0.059 0.000 2.286 289 L HA 0.183 4.522 4.340 -0.001 0.000 0.203 289 L C 0.800 177.677 176.870 0.012 0.000 1.068 289 L CA 0.558 55.385 54.840 -0.022 0.000 0.811 289 L CB 0.082 42.120 42.059 -0.036 0.000 0.989 289 L HN 0.544 nan 8.230 nan 0.000 0.467 293 S N 0.204 116.003 115.700 0.165 0.000 2.368 293 S HA -0.200 4.269 4.470 -0.001 0.000 0.225 293 S C 1.630 176.327 174.600 0.161 0.000 1.030 293 S CA 1.992 60.325 58.200 0.223 0.000 0.999 293 S CB -0.412 62.894 63.200 0.176 0.000 0.844 293 S HN 0.562 nan 8.310 nan 0.000 0.459 294 H N 0.975 120.013 119.070 -0.053 0.000 2.352 294 H HA 0.040 4.596 4.556 -0.001 0.000 0.299 294 H C 1.869 177.113 175.328 -0.140 0.000 1.097 294 H CA 2.119 58.077 56.048 -0.151 0.000 1.311 294 H CB -0.541 28.872 29.762 -0.581 0.000 1.377 294 H HN 0.448 nan 8.280 nan 0.000 0.504 295 I N -0.705 119.681 120.570 -0.307 0.000 2.194 295 I HA -0.329 3.840 4.170 -0.001 0.000 0.246 295 I C 1.649 177.611 176.117 -0.259 0.000 1.093 295 I CA 1.454 62.550 61.300 -0.339 0.000 1.355 295 I CB -0.373 37.453 38.000 -0.292 0.000 1.046 295 I HN 0.411 nan 8.210 nan 0.000 0.413 296 W N 0.481 121.707 121.300 -0.124 0.000 2.721 296 W HA -0.145 4.514 4.660 -0.001 0.000 0.245 296 W C 2.596 179.076 176.519 -0.065 0.000 1.276 296 W CA 1.110 58.417 57.345 -0.063 0.000 1.342 296 W CB -0.254 29.198 29.460 -0.014 0.000 1.135 296 W HN 0.246 nan 8.180 nan 0.000 0.654 297 T N -3.781 110.797 114.554 0.041 0.000 3.100 297 T HA -0.039 4.311 4.350 -0.001 0.000 0.253 297 T C 0.583 175.250 174.700 -0.056 0.000 1.118 297 T CA 0.728 62.825 62.100 -0.004 0.000 1.058 297 T CB 0.044 68.891 68.868 -0.036 0.000 0.953 297 T HN -0.098 nan 8.240 nan 0.000 0.515 298 D N -0.011 120.316 120.400 -0.121 0.000 2.952 298 D HA 0.329 4.968 4.640 -0.001 0.000 0.373 298 D C 0.806 177.066 176.300 -0.066 0.000 1.360 298 D CA -0.206 53.743 54.000 -0.085 0.000 0.788 298 D CB 0.545 41.273 40.800 -0.120 0.000 1.192 298 D HN 0.121 nan 8.370 nan 0.000 0.462 299 T N -0.904 113.649 114.554 -0.002 0.000 3.053 299 T HA 0.137 4.487 4.350 -0.001 0.000 0.236 299 T C -0.263 174.492 174.700 0.092 0.000 0.996 299 T CA 0.132 62.233 62.100 0.002 0.000 1.185 299 T CB 0.514 69.367 68.868 -0.025 0.000 0.892 299 T HN 0.158 nan 8.240 nan 0.000 0.432 300 D N 0.334 120.841 120.400 0.178 0.000 2.301 300 D HA 0.095 4.734 4.640 -0.001 0.000 0.203 300 D C 0.434 176.859 176.300 0.209 0.000 1.300 300 D CA -0.291 53.828 54.000 0.198 0.000 0.899 300 D CB 0.966 41.948 40.800 0.303 0.000 1.597 300 D HN 0.198 nan 8.370 nan 0.000 0.538 301 K N 2.185 122.676 120.400 0.152 0.000 2.280 301 K HA -0.105 4.215 4.320 -0.001 0.000 0.202 301 K C 0.296 176.998 176.600 0.170 0.000 1.047 301 K CA 1.012 57.387 56.287 0.147 0.000 0.942 301 K CB 0.198 32.762 32.500 0.107 0.000 0.739 301 K HN 0.111 nan 8.250 nan 0.000 0.457 302 D N 1.530 122.032 120.400 0.171 0.000 2.312 302 D HA -0.109 4.531 4.640 -0.001 0.000 0.211 302 D C 1.272 177.673 176.300 0.168 0.000 0.964 302 D CA 1.009 55.104 54.000 0.159 0.000 0.877 302 D CB 0.183 41.062 40.800 0.133 0.000 0.924 302 D HN 0.591 nan 8.370 nan 0.000 0.515 303 R N -0.468 120.155 120.500 0.204 0.000 2.569 303 R HA 0.165 4.504 4.340 -0.001 0.000 0.422 303 R C -0.126 176.338 176.300 0.274 0.000 0.980 303 R CA -0.279 55.929 56.100 0.181 0.000 1.164 303 R CB -0.002 30.316 30.300 0.030 0.000 1.520 303 R HN -0.006 nan 8.270 nan 0.000 0.567 304 T N -2.946 111.775 114.554 0.278 0.000 2.888 304 T HA 0.854 5.203 4.350 -0.001 0.000 0.288 304 T C 0.410 175.205 174.700 0.159 0.000 1.063 304 T CA -0.318 61.923 62.100 0.237 0.000 1.010 304 T CB 2.089 71.141 68.868 0.306 0.000 1.214 304 T HN 0.473 nan 8.240 nan 0.000 0.533 308 P HA -0.187 nan 4.420 nan 0.000 0.219 308 P C 1.565 178.835 177.300 -0.050 0.000 1.146 308 P CA 1.235 64.303 63.100 -0.052 0.000 0.808 308 P CB -0.004 31.689 31.700 -0.011 0.000 0.779 309 F N -1.859 118.017 119.950 -0.123 0.000 2.451 309 F HA -0.045 4.482 4.527 -0.001 0.000 0.299 309 F C 1.609 177.229 175.800 -0.299 0.000 1.101 309 F CA 0.473 58.394 58.000 -0.130 0.000 1.436 309 F CB -1.790 37.148 39.000 -0.103 0.000 1.074 309 F HN -0.297 nan 8.300 nan 0.000 0.553 310 V N 0.291 119.453 119.914 -1.252 0.000 2.594 310 V HA -0.262 3.857 4.120 -0.001 0.000 0.253 310 V C 1.766 177.186 176.094 -1.123 0.000 1.069 310 V CA 1.654 62.846 62.300 -1.848 0.000 1.082 310 V CB -0.968 29.502 31.823 -2.255 0.000 0.680 310 V HN 0.380 nan 8.190 nan 0.000 0.469 311 F N -0.972 118.688 119.950 -0.483 0.000 2.765 311 F HA 0.190 4.717 4.527 -0.001 0.000 0.302 311 F C 0.916 176.659 175.800 -0.096 0.000 1.111 311 F CA -0.384 57.476 58.000 -0.233 0.000 1.359 311 F CB -0.123 38.770 39.000 -0.179 0.000 1.097 311 F HN 0.124 nan 8.300 nan 0.000 0.577 312 D N 0.825 121.269 120.400 0.073 0.000 2.372 312 D HA -0.039 4.601 4.640 -0.001 0.000 0.243 312 D C 1.057 177.423 176.300 0.111 0.000 1.121 312 D CA 0.153 54.221 54.000 0.114 0.000 0.898 312 D CB 0.733 41.626 40.800 0.155 0.000 1.202 312 D HN 0.078 nan 8.370 nan 0.000 0.428 313 D N 0.318 120.772 120.400 0.089 0.000 2.182 313 D HA -0.165 4.475 4.640 -0.001 0.000 0.201 313 D C 1.827 178.172 176.300 0.075 0.000 0.986 313 D CA 1.232 55.274 54.000 0.070 0.000 0.847 313 D CB -0.103 40.728 40.800 0.053 0.000 0.942 313 D HN 0.403 nan 8.370 nan 0.000 0.467 314 S N 0.006 115.763 115.700 0.095 0.000 2.474 314 S HA -0.149 4.321 4.470 -0.001 0.000 0.235 314 S C 0.775 175.430 174.600 0.090 0.000 0.997 314 S CA -0.263 57.987 58.200 0.084 0.000 0.949 314 S CB -0.635 62.620 63.200 0.092 0.000 0.766 314 S HN 0.147 nan 8.310 nan 0.000 0.517 315 F N 2.746 122.693 119.950 -0.004 0.000 2.563 315 F HA 0.506 5.033 4.527 -0.001 0.000 0.363 315 F C 0.808 176.564 175.800 -0.073 0.000 1.123 315 F CA 0.828 58.816 58.000 -0.020 0.000 1.307 315 F CB 0.235 39.174 39.000 -0.101 0.000 1.115 315 F HN 0.336 nan 8.300 nan 0.000 0.592 316 G N 4.244 112.219 108.800 -1.375 0.000 2.427 316 G HA2 0.162 4.121 3.960 -0.001 0.000 0.306 316 G HA3 0.162 4.121 3.960 -0.001 0.000 0.306 316 G C -0.469 173.886 174.900 -0.909 0.000 1.280 316 G CA -0.630 43.839 45.100 -1.053 0.000 0.837 316 G HN 0.447 nan 8.290 nan 0.000 0.482 317 F N 0.308 120.048 119.950 -0.351 0.000 2.126 317 F HA 0.014 4.540 4.527 -0.001 0.000 0.299 317 F C 2.574 178.384 175.800 0.016 0.000 1.096 317 F CA 1.979 59.910 58.000 -0.115 0.000 1.255 317 F CB -0.029 38.947 39.000 -0.040 0.000 0.997 317 F HN 0.630 nan 8.300 nan 0.000 0.479 318 E N 0.200 120.487 120.200 0.145 0.000 2.051 318 E HA -0.306 4.044 4.350 -0.001 0.000 0.192 318 E C 2.257 178.932 176.600 0.125 0.000 0.991 318 E CA 1.403 57.879 56.400 0.126 0.000 0.799 318 E CB -0.231 29.510 29.700 0.068 0.000 0.748 318 E HN 0.534 nan 8.360 nan 0.000 0.449 319 Q N -0.786 119.056 119.800 0.071 0.000 2.167 319 Q HA -0.212 4.127 4.340 -0.001 0.000 0.202 319 Q C 1.893 178.073 176.000 0.300 0.000 0.970 319 Q CA 1.393 57.285 55.803 0.148 0.000 0.855 319 Q CB -0.190 28.683 28.738 0.224 0.000 0.911 319 Q HN 0.414 nan 8.270 nan 0.000 0.438 320 Y N -0.231 120.273 120.300 0.340 0.000 2.242 320 Y HA -0.185 4.365 4.550 -0.001 0.000 0.291 320 Y C 1.942 178.106 175.900 0.440 0.000 1.137 320 Y CA 1.334 59.764 58.100 0.549 0.000 1.181 320 Y CB 0.001 38.800 38.460 0.564 0.000 0.989 320 Y HN -0.049 nan 8.280 nan 0.000 0.527 321 V N 0.304 120.500 119.914 0.470 0.000 2.343 321 V HA -0.306 3.814 4.120 -0.001 0.000 0.247 321 V C 1.965 178.195 176.094 0.227 0.000 1.051 321 V CA 2.197 64.746 62.300 0.414 0.000 1.036 321 V CB -0.576 31.453 31.823 0.343 0.000 0.654 321 V HN 0.409 nan 8.190 nan 0.000 0.451 322 D N -1.019 119.462 120.400 0.136 0.000 2.117 322 D HA -0.197 4.442 4.640 -0.001 0.000 0.197 322 D C 1.936 178.246 176.300 0.017 0.000 0.987 322 D CA 1.626 55.658 54.000 0.053 0.000 0.829 322 D CB -0.321 40.489 40.800 0.017 0.000 0.961 322 D HN 0.573 nan 8.370 nan 0.000 0.460 323 Y N 1.985 122.175 120.300 -0.185 0.000 2.053 323 Y HA -0.284 4.266 4.550 -0.001 0.000 0.277 323 Y C 2.258 178.070 175.900 -0.147 0.000 1.159 323 Y CA 2.092 60.022 58.100 -0.283 0.000 1.125 323 Y CB -0.686 37.488 38.460 -0.476 0.000 0.969 323 Y HN -0.051 nan 8.280 nan 0.000 0.492 324 A N 0.421 123.055 122.820 -0.310 0.000 1.933 324 A HA -0.140 4.180 4.320 -0.001 0.000 0.218 324 A C 2.370 180.002 177.584 0.078 0.000 1.175 324 A CA 1.733 53.593 52.037 -0.296 0.000 0.628 324 A CB -1.214 17.718 19.000 -0.113 0.000 0.814 324 A HN 0.599 nan 8.150 nan 0.000 0.444 325 L N -0.489 120.825 121.223 0.153 0.000 2.131 325 L HA -0.176 4.164 4.340 -0.001 0.000 0.210 325 L C 1.224 178.133 176.870 0.065 0.000 1.092 325 L CA 1.327 56.255 54.840 0.146 0.000 0.759 325 L CB -0.350 41.760 42.059 0.085 0.000 0.903 325 L HN 0.329 nan 8.230 nan 0.000 0.435 326 D N -1.104 119.290 120.400 -0.010 0.000 2.349 326 D HA 0.070 4.710 4.640 -0.001 0.000 0.214 326 D C 0.479 176.746 176.300 -0.054 0.000 1.063 326 D CA 0.204 54.190 54.000 -0.024 0.000 0.847 326 D CB 0.412 41.198 40.800 -0.024 0.000 0.933 326 D HN 0.009 nan 8.370 nan 0.000 0.513 327 V N 3.273 123.112 119.914 -0.125 0.000 2.521 327 V HA 0.084 4.204 4.120 -0.001 0.000 0.286 327 V C -1.720 174.382 176.094 0.012 0.000 1.034 327 V CA -1.040 61.170 62.300 -0.150 0.000 1.045 327 V CB 0.886 32.473 31.823 -0.393 0.000 0.974 327 V HN -0.058 nan 8.190 nan 0.000 0.480 331 F N -0.903 119.206 119.950 0.264 0.000 2.817 331 F HA 0.876 5.402 4.527 -0.001 0.000 0.317 331 F C -1.093 174.843 175.800 0.227 0.000 1.168 331 F CA -1.846 56.281 58.000 0.212 0.000 0.911 331 F CB 1.097 40.263 39.000 0.277 0.000 1.337 331 F HN -0.026 nan 8.300 nan 0.000 0.464 332 A N 0.712 123.823 122.820 0.485 0.000 2.422 332 A HA 0.653 4.972 4.320 -0.001 0.000 0.302 332 A C -2.470 175.338 177.584 0.373 0.000 1.041 332 A CA -0.701 51.569 52.037 0.388 0.000 0.708 332 A CB 1.019 20.059 19.000 0.067 0.000 1.257 332 A HN 0.952 nan 8.150 nan 0.000 0.414 333 Y N 3.310 123.756 120.300 0.243 0.000 2.383 333 Y HA 0.625 5.174 4.550 -0.001 0.000 0.344 333 Y C 0.039 175.933 175.900 -0.011 0.000 0.986 333 Y CA -0.031 58.063 58.100 -0.009 0.000 1.175 333 Y CB 0.513 38.915 38.460 -0.097 0.000 1.152 333 Y HN 0.628 nan 8.280 nan 0.000 0.511 334 R N 4.104 124.216 120.500 -0.646 0.000 2.651 334 R HA 0.232 4.571 4.340 -0.001 0.000 0.278 334 R C -0.611 175.323 176.300 -0.611 0.000 1.010 334 R CA -1.156 54.669 56.100 -0.459 0.000 0.896 334 R CB 1.266 31.450 30.300 -0.193 0.000 1.211 334 R HN 0.952 nan 8.270 nan 0.000 0.456 335 N N 0.799 119.257 118.700 -0.403 0.000 2.738 335 N HA -0.276 4.463 4.740 -0.001 0.000 0.249 335 N C 0.660 175.995 175.510 -0.293 0.000 1.047 335 N CA 0.770 53.666 53.050 -0.257 0.000 0.707 335 N CB -0.498 37.886 38.487 -0.172 0.000 0.937 335 N HN 1.058 nan 8.380 nan 0.000 0.545 336 G N -0.815 107.757 108.800 -0.379 0.000 2.284 336 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.247 336 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.247 336 G C -0.148 174.574 174.900 -0.296 0.000 1.012 336 G CA 0.938 45.911 45.100 -0.211 0.000 0.618 336 G HN 0.509 nan 8.290 nan 0.000 0.521 337 K N -0.064 120.001 120.400 -0.558 0.000 2.375 337 K HA 0.598 4.918 4.320 -0.001 0.000 0.249 337 K C -1.098 175.226 176.600 -0.460 0.000 0.942 337 K CA -1.139 54.944 56.287 -0.340 0.000 0.806 337 K CB 1.746 34.158 32.500 -0.147 0.000 1.227 337 K HN 0.112 nan 8.250 nan 0.000 0.430 338 Y N 0.721 121.028 120.300 0.011 0.000 2.436 338 Y HA 0.120 4.669 4.550 -0.001 0.000 0.336 338 Y C 0.403 176.316 175.900 0.022 0.000 1.049 338 Y CA -0.566 57.553 58.100 0.033 0.000 1.294 338 Y CB 0.758 39.137 38.460 -0.135 0.000 1.179 338 Y HN 0.158 nan 8.280 nan 0.000 0.520 339 V N 3.809 123.832 119.914 0.182 0.000 2.427 339 V HA 0.070 4.189 4.120 -0.001 0.000 0.286 339 V C 0.034 176.241 176.094 0.189 0.000 1.034 339 V CA -1.093 61.273 62.300 0.110 0.000 0.893 339 V CB 1.471 33.300 31.823 0.009 0.000 0.982 339 V HN 0.646 nan 8.190 nan 0.000 0.452 340 D N 3.337 123.818 120.400 0.136 0.000 2.346 340 D HA 0.078 4.718 4.640 -0.001 0.000 0.260 340 D C 0.119 176.460 176.300 0.068 0.000 1.252 340 D CA 0.050 54.132 54.000 0.137 0.000 0.895 340 D CB 0.833 41.689 40.800 0.093 0.000 1.097 340 D HN 0.646 nan 8.370 nan 0.000 0.489 341 c N 3.674 122.313 118.600 0.064 0.000 2.742 341 c HA 0.147 4.716 4.570 -0.001 0.000 0.283 341 c C 0.742 174.802 174.090 -0.051 0.000 1.451 341 c CA -0.522 55.791 56.329 -0.027 0.000 1.785 341 c CB -1.377 41.082 42.510 -0.085 0.000 2.664 341 c HN 0.644 nan 8.230 nan 0.000 0.544 342 T N -0.275 114.244 114.554 -0.058 0.000 2.930 342 T HA 0.486 4.835 4.350 -0.001 0.000 0.306 342 T C 0.713 175.371 174.700 -0.070 0.000 1.045 342 T CA 0.928 62.915 62.100 -0.189 0.000 1.134 342 T CB 0.906 69.581 68.868 -0.323 0.000 0.961 342 T HN 1.342 nan 8.240 nan 0.000 0.545 346 F N 0.928 120.761 119.950 -0.195 0.000 2.365 346 F HA 0.226 4.753 4.527 -0.001 0.000 0.300 346 F C 2.638 178.391 175.800 -0.079 0.000 1.090 346 F CA 0.857 58.760 58.000 -0.162 0.000 1.408 346 F CB -0.015 38.742 39.000 -0.406 0.000 1.060 346 F HN 0.561 nan 8.300 nan 0.000 0.534 347 R N -0.046 120.480 120.500 0.045 0.000 2.083 347 R HA -0.201 4.139 4.340 -0.001 0.000 0.237 347 R C 2.226 178.492 176.300 -0.056 0.000 1.137 347 R CA 1.988 58.079 56.100 -0.015 0.000 0.951 347 R CB -0.360 29.938 30.300 -0.005 0.000 0.851 347 R HN 0.417 nan 8.270 nan 0.000 0.434 348 Q N -0.507 119.264 119.800 -0.049 0.000 2.061 348 Q HA -0.204 4.135 4.340 -0.001 0.000 0.204 348 Q C 1.964 177.940 176.000 -0.040 0.000 0.984 348 Q CA 1.677 57.449 55.803 -0.051 0.000 0.846 348 Q CB -0.250 28.454 28.738 -0.057 0.000 0.902 348 Q HN 0.412 nan 8.270 nan 0.000 0.421 349 F N 1.129 120.890 119.950 -0.315 0.000 2.095 349 F HA -0.274 4.252 4.527 -0.001 0.000 0.298 349 F C 2.053 177.608 175.800 -0.407 0.000 1.104 349 F CA 0.639 58.378 58.000 -0.435 0.000 1.232 349 F CB 0.065 38.607 39.000 -0.764 0.000 0.987 349 F HN 0.082 nan 8.300 nan 0.000 0.475 350 L N -0.010 121.032 121.223 -0.302 0.000 2.079 350 L HA -0.243 4.097 4.340 -0.001 0.000 0.210 350 L C 2.355 179.122 176.870 -0.172 0.000 1.081 350 L CA 1.237 55.899 54.840 -0.296 0.000 0.752 350 L CB -0.623 41.301 42.059 -0.224 0.000 0.896 350 L HN 0.177 nan 8.230 nan 0.000 0.433 351 A N -1.014 121.743 122.820 -0.106 0.000 2.307 351 A HA 0.328 4.647 4.320 -0.001 0.000 0.218 351 A C 1.515 179.070 177.584 -0.048 0.000 1.228 351 A CA 0.579 52.572 52.037 -0.073 0.000 0.857 351 A CB -0.246 18.718 19.000 -0.058 0.000 0.897 351 A HN 0.508 nan 8.150 nan 0.000 0.495 352 G N -0.039 108.747 108.800 -0.024 0.000 2.176 352 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.252 352 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.252 352 G C 0.417 175.311 174.900 -0.011 0.000 1.024 352 G CA 0.628 45.731 45.100 0.005 0.000 0.755 352 G HN 0.528 nan 8.290 nan 0.000 0.507 353 K N -0.403 119.983 120.400 -0.022 0.000 2.537 353 K HA 0.337 4.656 4.320 -0.001 0.000 0.206 353 K C 0.731 177.290 176.600 -0.069 0.000 1.041 353 K CA -0.435 55.826 56.287 -0.042 0.000 1.090 353 K CB 0.689 33.166 32.500 -0.039 0.000 0.833 353 K HN 0.359 nan 8.250 nan 0.000 0.493 354 L N 2.610 123.769 121.223 -0.108 0.000 2.361 354 L HA 0.100 4.439 4.340 -0.001 0.000 0.278 354 L C -1.534 175.251 176.870 -0.141 0.000 1.113 354 L CA -1.624 53.108 54.840 -0.180 0.000 0.849 354 L CB 0.921 42.751 42.059 -0.381 0.000 1.155 354 L HN -0.112 nan 8.230 nan 0.000 0.452 355 P HA -0.121 nan 4.420 nan 0.000 0.222 355 P C 1.479 178.724 177.300 -0.091 0.000 1.147 355 P CA 0.862 63.914 63.100 -0.081 0.000 0.790 355 P CB -0.006 31.661 31.700 -0.055 0.000 0.780 356 c N -2.887 115.639 118.600 -0.123 0.000 2.450 356 c HA 0.132 4.702 4.570 -0.001 0.000 0.279 356 c C 1.316 175.325 174.090 -0.137 0.000 1.335 356 c CA 0.028 56.288 56.329 -0.115 0.000 1.749 356 c CB -1.593 40.847 42.510 -0.116 0.000 1.963 356 c HN 0.067 nan 8.230 nan 0.000 0.501 357 L N 1.658 122.767 121.223 -0.191 0.000 2.551 357 L HA 0.360 4.699 4.340 -0.001 0.000 0.248 357 L C -2.612 174.185 176.870 -0.121 0.000 1.509 357 L CA -1.309 53.428 54.840 -0.170 0.000 0.842 357 L CB 0.982 42.878 42.059 -0.271 0.000 1.087 357 L HN 0.015 nan 8.230 nan 0.000 0.512 358 P HA 0.157 nan 4.420 nan 0.000 0.271 358 P C 0.996 178.275 177.300 -0.037 0.000 1.226 358 P CA 0.822 63.886 63.100 -0.060 0.000 0.765 358 P CB 1.385 33.055 31.700 -0.050 0.000 0.835 359 G N 1.801 110.586 108.800 -0.025 0.000 2.225 359 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.254 359 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.254 359 G C 0.202 175.106 174.900 0.008 0.000 0.988 359 G CA -0.217 44.876 45.100 -0.013 0.000 0.625 359 G HN 0.543 nan 8.290 nan 0.000 0.527 360 E N 0.439 120.660 120.200 0.036 0.000 2.338 360 E HA 0.521 4.871 4.350 -0.001 0.000 0.272 360 E C 0.609 177.316 176.600 0.179 0.000 1.029 360 E CA -0.098 56.364 56.400 0.104 0.000 0.872 360 E CB 0.884 30.670 29.700 0.143 0.000 1.015 360 E HN 0.462 nan 8.360 nan 0.000 0.417 361 L N 5.206 126.456 121.223 0.044 0.000 2.325 361 L HA 0.423 4.762 4.340 -0.001 0.000 0.278 361 L C -1.976 174.674 176.870 -0.366 0.000 1.023 361 L CA -2.029 52.724 54.840 -0.145 0.000 0.811 361 L CB 1.621 43.592 42.059 -0.146 0.000 1.249 361 L HN 0.262 nan 8.230 nan 0.000 0.431 362 P HA 0.173 nan 4.420 nan 0.000 0.276 362 P C -0.670 176.363 177.300 -0.445 0.000 1.244 362 P CA -0.316 62.197 63.100 -0.978 0.000 0.801 362 P CB 1.083 31.890 31.700 -1.488 0.000 1.006 363 T N -1.578 112.822 114.554 -0.257 0.000 2.936 363 T HA 0.281 4.631 4.350 -0.001 0.000 0.282 363 T C 0.977 175.607 174.700 -0.116 0.000 1.003 363 T CA -0.308 61.690 62.100 -0.170 0.000 1.005 363 T CB 0.196 69.059 68.868 -0.008 0.000 1.097 363 T HN 0.181 nan 8.240 nan 0.000 0.532 364 Y N 0.600 120.896 120.300 -0.007 0.000 2.256 364 Y HA -0.117 4.432 4.550 -0.001 0.000 0.288 364 Y C 2.890 178.770 175.900 -0.033 0.000 1.155 364 Y CA 1.584 59.648 58.100 -0.060 0.000 1.203 364 Y CB -0.569 37.880 38.460 -0.018 0.000 0.980 364 Y HN 0.748 nan 8.280 nan 0.000 0.530 365 N N 0.143 118.966 118.700 0.204 0.000 2.188 365 N HA -0.181 4.559 4.740 -0.001 0.000 0.184 365 N C 1.098 176.732 175.510 0.206 0.000 1.018 365 N CA 1.394 54.553 53.050 0.182 0.000 0.858 365 N CB -0.070 38.523 38.487 0.176 0.000 0.989 365 N HN 0.343 nan 8.380 nan 0.000 0.426 366 D N 0.309 120.857 120.400 0.247 0.000 2.117 366 D HA -0.201 4.438 4.640 -0.001 0.000 0.197 366 D C 1.578 178.140 176.300 0.436 0.000 0.987 366 D CA 0.646 54.881 54.000 0.391 0.000 0.829 366 D CB -0.662 40.355 40.800 0.362 0.000 0.961 366 D HN 0.503 nan 8.370 nan 0.000 0.460 367 W N 1.734 123.038 121.300 0.007 0.000 2.355 367 W HA -0.237 4.423 4.660 -0.001 0.000 0.309 367 W C 2.245 178.606 176.519 -0.265 0.000 1.206 367 W CA 1.225 58.327 57.345 -0.406 0.000 1.284 367 W CB 0.124 29.322 29.460 -0.437 0.000 1.145 367 W HN -0.081 nan 8.180 nan 0.000 0.502 368 E N 0.877 120.959 120.200 -0.197 0.000 2.049 368 E HA -0.285 4.065 4.350 -0.001 0.000 0.198 368 E C 1.619 178.162 176.600 -0.094 0.000 1.007 368 E CA 2.488 58.789 56.400 -0.165 0.000 0.809 368 E CB -1.012 28.716 29.700 0.046 0.000 0.749 368 E HN 0.397 nan 8.360 nan 0.000 0.450 369 N N -1.364 117.367 118.700 0.052 0.000 2.069 369 N HA -0.235 4.505 4.740 -0.001 0.000 0.191 369 N C 1.835 177.341 175.510 -0.006 0.000 1.031 369 N CA 1.181 54.304 53.050 0.122 0.000 0.852 369 N CB -0.328 38.338 38.487 0.298 0.000 1.018 369 N HN 0.271 nan 8.380 nan 0.000 0.423 370 H N 1.163 120.144 119.070 -0.149 0.000 2.353 370 H HA 0.027 4.582 4.556 -0.001 0.000 0.300 370 H C 1.948 177.002 175.328 -0.456 0.000 1.090 370 H CA 1.272 57.145 56.048 -0.292 0.000 1.327 370 H CB -0.287 29.302 29.762 -0.288 0.000 1.383 370 H HN 0.119 nan 8.280 nan 0.000 0.508 371 L N -0.412 120.418 121.223 -0.654 0.000 2.187 371 L HA -0.156 4.184 4.340 -0.001 0.000 0.213 371 L C 1.870 178.478 176.870 -0.437 0.000 1.100 371 L CA 1.711 56.163 54.840 -0.646 0.000 0.765 371 L CB -0.331 41.336 42.059 -0.654 0.000 0.904 371 L HN 0.360 nan 8.230 nan 0.000 0.437 372 T N -2.337 112.028 114.554 -0.314 0.000 3.148 372 T HA -0.046 4.303 4.350 -0.001 0.000 0.253 372 T C 1.613 176.173 174.700 -0.233 0.000 1.134 372 T CA 1.147 63.150 62.100 -0.161 0.000 1.051 372 T CB -0.207 68.666 68.868 0.008 0.000 0.959 372 T HN 0.480 nan 8.240 nan 0.000 0.525 373 T N -0.598 113.642 114.554 -0.524 0.000 3.105 373 T HA 0.402 4.751 4.350 -0.001 0.000 0.253 373 T C 0.362 174.253 174.700 -1.347 0.000 1.047 373 T CA -0.400 61.215 62.100 -0.809 0.000 0.944 373 T CB -0.466 67.922 68.868 -0.801 0.000 1.016 373 T HN 0.272 nan 8.240 nan 0.000 0.544 374 I N 1.356 121.291 120.570 -1.058 0.000 2.359 374 I HA 0.435 4.604 4.170 -0.001 0.000 0.294 374 I C -0.751 175.006 176.117 -0.601 0.000 0.987 374 I CA -1.210 59.633 61.300 -0.760 0.000 1.225 374 I CB 1.343 39.084 38.000 -0.432 0.000 1.366 374 I HN 0.025 nan 8.210 nan 0.000 0.466 375 F N 5.838 125.800 119.950 0.021 0.000 2.761 375 F HA 0.361 4.887 4.527 -0.001 0.000 0.367 375 F C -2.327 173.360 175.800 -0.188 0.000 1.386 375 F CA -2.273 55.670 58.000 -0.094 0.000 1.177 375 F CB -0.320 38.675 39.000 -0.008 0.000 1.092 375 F HN 0.227 nan 8.300 nan 0.000 0.517 376 P HA 0.155 nan 4.420 nan 0.000 0.279 376 P C 0.932 178.179 177.300 -0.088 0.000 1.282 376 P CA -0.146 62.971 63.100 0.029 0.000 0.788 376 P CB 1.260 33.032 31.700 0.119 0.000 1.139 377 E N -1.089 119.069 120.200 -0.070 0.000 2.150 377 E HA -0.001 4.349 4.350 -0.001 0.000 0.193 377 E C 0.228 176.767 176.600 -0.102 0.000 0.985 377 E CA 1.084 57.424 56.400 -0.100 0.000 0.814 377 E CB -0.189 29.492 29.700 -0.032 0.000 0.752 377 E HN 0.158 nan 8.360 nan 0.000 0.466 378 V N 0.864 120.754 119.914 -0.039 0.000 2.709 378 V HA 0.353 4.472 4.120 -0.001 0.000 0.308 378 V C -0.121 175.947 176.094 -0.044 0.000 1.062 378 V CA -0.867 61.369 62.300 -0.107 0.000 0.901 378 V CB 2.785 34.558 31.823 -0.082 0.000 1.003 378 V HN -0.044 nan 8.190 nan 0.000 0.425 379 R N 3.291 123.669 120.500 -0.203 0.000 2.711 379 R HA 0.749 5.088 4.340 -0.001 0.000 0.284 379 R C -1.952 174.092 176.300 -0.426 0.000 0.968 379 R CA -0.761 55.252 56.100 -0.145 0.000 0.924 379 R CB 1.958 32.208 30.300 -0.083 0.000 1.162 379 R HN 0.574 nan 8.270 nan 0.000 0.465 380 L N 3.734 124.683 121.223 -0.458 0.000 2.313 380 L HA 0.470 4.809 4.340 -0.001 0.000 0.283 380 L C -0.747 175.877 176.870 -0.409 0.000 1.013 380 L CA 0.031 54.478 54.840 -0.655 0.000 0.816 380 L CB 1.408 42.821 42.059 -1.077 0.000 1.236 380 L HN 0.728 nan 8.230 nan 0.000 0.419 381 K N 3.354 123.505 120.400 -0.415 0.000 2.479 381 K HA 0.468 4.788 4.320 -0.001 0.000 0.284 381 K C 0.565 177.033 176.600 -0.220 0.000 0.968 381 K CA -0.717 55.359 56.287 -0.352 0.000 1.226 381 K CB 0.616 32.781 32.500 -0.558 0.000 3.370 381 K HN 0.388 nan 8.250 nan 0.000 1.103 382 R N 0.414 120.727 120.500 -0.310 0.000 2.313 382 R HA 0.067 4.407 4.340 -0.001 0.000 0.199 382 R C -0.098 176.127 176.300 -0.124 0.000 0.958 382 R CA 0.593 56.595 56.100 -0.164 0.000 1.047 382 R CB -0.026 30.114 30.300 -0.267 0.000 0.955 382 R HN 0.372 nan 8.270 nan 0.000 0.481 388 G N 0.670 109.440 108.800 -0.049 0.000 2.813 388 G HA2 0.276 4.235 3.960 -0.001 0.000 0.209 388 G HA3 0.276 4.235 3.960 -0.001 0.000 0.209 388 G C 0.474 175.412 174.900 0.063 0.000 1.150 388 G CA 0.619 45.729 45.100 0.017 0.000 0.785 388 G HN 0.238 nan 8.290 nan 0.000 0.535 389 A N 0.614 123.449 122.820 0.024 0.000 2.301 389 A HA 0.573 4.892 4.320 -0.001 0.000 0.312 389 A C -0.833 176.794 177.584 0.071 0.000 1.182 389 A CA -0.587 51.448 52.037 -0.004 0.000 0.826 389 A CB 0.784 19.597 19.000 -0.312 0.000 1.134 389 A HN 0.116 nan 8.150 nan 0.000 0.501 390 D N 1.456 121.948 120.400 0.153 0.000 2.372 390 D HA 0.411 5.051 4.640 -0.001 0.000 0.243 390 D C 1.035 177.448 176.300 0.187 0.000 1.121 390 D CA 0.918 55.030 54.000 0.187 0.000 0.898 390 D CB 0.863 41.783 40.800 0.200 0.000 1.202 390 D HN 0.700 nan 8.370 nan 0.000 0.428 391 G N 0.044 108.958 108.800 0.190 0.000 2.630 391 G HA2 0.477 4.436 3.960 -0.001 0.000 0.236 391 G HA3 0.477 4.436 3.960 -0.001 0.000 0.236 391 G C 0.281 175.319 174.900 0.230 0.000 1.248 391 G CA 0.093 45.320 45.100 0.211 0.000 0.844 391 G HN 0.559 nan 8.290 nan 0.000 0.588 392 G N 0.667 109.615 108.800 0.246 0.000 2.550 392 G HA2 0.702 4.661 3.960 -0.001 0.000 0.293 392 G HA3 0.702 4.661 3.960 -0.001 0.000 0.293 392 G C -3.135 171.863 174.900 0.163 0.000 1.402 392 G CA -0.742 44.469 45.100 0.184 0.000 0.784 392 G HN 0.619 nan 8.290 nan 0.000 0.482 393 P HA 0.046 nan 4.420 nan 0.000 0.273 393 P C 1.037 178.445 177.300 0.180 0.000 1.250 393 P CA -0.371 62.732 63.100 0.005 0.000 0.793 393 P CB 0.691 32.361 31.700 -0.050 0.000 1.011 394 W N 2.460 123.879 121.300 0.198 0.000 2.342 394 W HA -0.130 4.529 4.660 -0.001 0.000 0.297 394 W C 1.352 177.964 176.519 0.156 0.000 1.213 394 W CA 0.685 58.157 57.345 0.212 0.000 1.251 394 W CB -1.335 28.257 29.460 0.219 0.000 1.136 394 W HN 0.276 nan 8.180 nan 0.000 0.526 395 R N 0.494 120.582 120.500 -0.686 0.000 2.115 395 R HA -0.043 4.296 4.340 -0.001 0.000 0.230 395 R C 2.557 178.768 176.300 -0.148 0.000 1.111 395 R CA 1.439 57.132 56.100 -0.679 0.000 0.976 395 R CB -0.356 29.436 30.300 -0.847 0.000 0.870 395 R HN 0.165 nan 8.270 nan 0.000 0.445 396 R N 0.417 120.893 120.500 -0.040 0.000 2.193 396 R HA 0.060 4.399 4.340 -0.001 0.000 0.213 396 R C 2.089 178.544 176.300 0.258 0.000 1.055 396 R CA 0.514 56.709 56.100 0.159 0.000 0.995 396 R CB -0.004 30.393 30.300 0.162 0.000 0.893 396 R HN 0.217 nan 8.270 nan 0.000 0.459 397 L N -0.487 120.842 121.223 0.177 0.000 2.131 397 L HA -0.206 4.134 4.340 -0.001 0.000 0.210 397 L C 2.133 179.060 176.870 0.094 0.000 1.092 397 L CA 0.899 55.812 54.840 0.121 0.000 0.759 397 L CB -0.338 41.753 42.059 0.054 0.000 0.903 397 L HN 0.284 nan 8.230 nan 0.000 0.435 398 c N -0.686 117.985 118.600 0.120 0.000 2.512 398 c HA 0.157 4.726 4.570 -0.001 0.000 0.276 398 c C 3.015 177.131 174.090 0.043 0.000 1.368 398 c CA 0.297 56.642 56.329 0.027 0.000 1.755 398 c CB -0.660 41.925 42.510 0.126 0.000 2.008 398 c HN 0.561 nan 8.230 nan 0.000 0.511 399 A N 0.539 123.463 122.820 0.174 0.000 1.968 399 A HA -0.025 4.295 4.320 -0.001 0.000 0.217 399 A C 2.168 179.943 177.584 0.318 0.000 1.169 399 A CA 0.964 53.155 52.037 0.257 0.000 0.638 399 A CB -0.558 18.586 19.000 0.241 0.000 0.812 399 A HN 0.492 nan 8.150 nan 0.000 0.446 400 L N 0.668 122.024 121.223 0.222 0.000 1.976 400 L HA -0.073 4.266 4.340 -0.001 0.000 0.209 400 L C -0.726 176.214 176.870 0.117 0.000 1.071 400 L CA 2.700 57.497 54.840 -0.071 0.000 0.746 400 L CB -1.847 39.948 42.059 -0.440 0.000 0.890 400 L HN 0.204 nan 8.230 nan 0.000 0.432 401 P HA -0.151 nan 4.420 nan 0.000 0.216 401 P C 1.530 178.869 177.300 0.064 0.000 1.150 401 P CA 2.071 65.213 63.100 0.070 0.000 0.843 401 P CB -0.163 31.520 31.700 -0.027 0.000 0.787 402 A N -0.647 122.208 122.820 0.058 0.000 1.902 402 A HA -0.192 4.127 4.320 -0.001 0.000 0.217 402 A C 2.151 179.796 177.584 0.101 0.000 1.181 402 A CA 1.344 53.427 52.037 0.077 0.000 0.623 402 A CB -1.806 17.276 19.000 0.137 0.000 0.818 402 A HN 0.128 nan 8.150 nan 0.000 0.443 403 F N -0.739 119.182 119.950 -0.048 0.000 2.069 403 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 403 F C 1.983 177.608 175.800 -0.293 0.000 1.113 403 F CA 1.950 59.831 58.000 -0.199 0.000 1.214 403 F CB -0.536 38.291 39.000 -0.288 0.000 0.978 403 F HN 0.403 nan 8.300 nan 0.000 0.474 404 W N -0.646 120.627 121.300 -0.044 0.000 2.418 404 W HA -0.034 4.626 4.660 -0.001 0.000 0.292 404 W C 2.373 178.731 176.519 -0.269 0.000 1.213 404 W CA 1.018 58.239 57.345 -0.207 0.000 1.283 404 W CB -0.848 28.541 29.460 -0.119 0.000 1.119 404 W HN -0.237 nan 8.180 nan 0.000 0.542 405 V N 0.857 120.740 119.914 -0.052 0.000 2.287 405 V HA -0.259 3.860 4.120 -0.001 0.000 0.248 405 V C 2.459 178.542 176.094 -0.019 0.000 1.053 405 V CA 2.214 64.412 62.300 -0.170 0.000 1.027 405 V CB -1.558 30.212 31.823 -0.090 0.000 0.646 405 V HN 0.372 nan 8.190 nan 0.000 0.447 406 G N -0.472 108.312 108.800 -0.026 0.000 2.469 406 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.220 406 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.220 406 G C 1.550 176.420 174.900 -0.049 0.000 1.136 406 G CA 1.221 46.308 45.100 -0.022 0.000 0.759 406 G HN 0.493 nan 8.290 nan 0.000 0.562 407 L N -0.756 120.385 121.223 -0.135 0.000 2.202 407 L HA 0.261 4.600 4.340 -0.001 0.000 0.205 407 L C 2.541 179.423 176.870 0.020 0.000 1.083 407 L CA 0.332 55.101 54.840 -0.118 0.000 0.790 407 L CB -0.086 41.804 42.059 -0.281 0.000 0.942 407 L HN 0.160 nan 8.230 nan 0.000 0.452 408 L N -2.494 118.768 121.223 0.066 0.000 2.515 408 L HA 0.030 4.370 4.340 -0.001 0.000 0.223 408 L C 1.547 178.587 176.870 0.284 0.000 1.079 408 L CA 0.079 54.988 54.840 0.115 0.000 0.857 408 L CB 0.065 42.150 42.059 0.043 0.000 1.050 408 L HN 0.165 nan 8.230 nan 0.000 0.476 409 Y N -0.238 120.120 120.300 0.097 0.000 2.457 409 Y HA 0.191 4.741 4.550 -0.001 0.000 0.263 409 Y C 0.619 176.686 175.900 0.278 0.000 1.164 409 Y CA -0.681 57.569 58.100 0.250 0.000 1.274 409 Y CB 0.047 38.669 38.460 0.271 0.000 1.097 409 Y HN 0.026 nan 8.280 nan 0.000 0.523 410 D N 0.226 120.808 120.400 0.302 0.000 2.344 410 D HA 0.064 4.703 4.640 -0.001 0.000 0.239 410 D C 0.739 177.133 176.300 0.156 0.000 1.064 410 D CA 0.066 54.181 54.000 0.193 0.000 0.829 410 D CB 1.952 42.828 40.800 0.127 0.000 1.129 410 D HN -0.003 nan 8.370 nan 0.000 0.506 411 E N 2.550 122.835 120.200 0.141 0.000 2.150 411 E HA -0.146 4.204 4.350 -0.001 0.000 0.193 411 E C 0.824 177.467 176.600 0.073 0.000 0.985 411 E CA 1.386 57.856 56.400 0.116 0.000 0.814 411 E CB 0.244 30.003 29.700 0.098 0.000 0.752 411 E HN 0.476 nan 8.360 nan 0.000 0.466 412 D N -0.836 119.598 120.400 0.056 0.000 2.149 412 D HA -0.075 4.564 4.640 -0.001 0.000 0.201 412 D C 1.949 178.267 176.300 0.031 0.000 0.972 412 D CA 0.758 54.780 54.000 0.036 0.000 0.835 412 D CB -0.018 40.798 40.800 0.028 0.000 0.966 412 D HN 0.100 nan 8.370 nan 0.000 0.476 413 V N 1.322 121.258 119.914 0.037 0.000 2.358 413 V HA -0.200 3.920 4.120 -0.001 0.000 0.246 413 V C 2.478 178.582 176.094 0.016 0.000 1.047 413 V CA 0.935 63.247 62.300 0.020 0.000 1.035 413 V CB -0.413 31.420 31.823 0.017 0.000 0.658 413 V HN 0.132 nan 8.190 nan 0.000 0.452 414 L N 0.220 121.467 121.223 0.041 0.000 2.012 414 L HA -0.220 4.120 4.340 -0.001 0.000 0.210 414 L C 2.450 179.331 176.870 0.018 0.000 1.073 414 L CA 2.272 57.135 54.840 0.038 0.000 0.748 414 L CB -0.876 41.224 42.059 0.070 0.000 0.891 414 L HN 0.363 nan 8.230 nan 0.000 0.431 415 Q N -0.802 119.011 119.800 0.022 0.000 2.084 415 Q HA -0.148 4.191 4.340 -0.001 0.000 0.202 415 Q C 2.314 178.311 176.000 -0.005 0.000 0.978 415 Q CA 2.129 57.938 55.803 0.010 0.000 0.844 415 Q CB -0.391 28.357 28.738 0.016 0.000 0.898 415 Q HN 0.573 nan 8.270 nan 0.000 0.426 416 S N -0.946 114.751 115.700 -0.004 0.000 2.368 416 S HA -0.122 4.347 4.470 -0.001 0.000 0.225 416 S C 1.868 176.446 174.600 -0.036 0.000 1.030 416 S CA 1.228 59.419 58.200 -0.014 0.000 0.999 416 S CB -0.342 62.854 63.200 -0.006 0.000 0.844 416 S HN 0.273 nan 8.310 nan 0.000 0.459 417 V N 2.084 121.972 119.914 -0.042 0.000 2.295 417 V HA -0.146 3.973 4.120 -0.001 0.000 0.246 417 V C 2.143 178.169 176.094 -0.114 0.000 1.049 417 V CA 1.498 63.753 62.300 -0.076 0.000 1.024 417 V CB -0.703 31.090 31.823 -0.051 0.000 0.648 417 V HN 0.429 nan 8.190 nan 0.000 0.447 418 L N -0.240 120.940 121.223 -0.072 0.000 2.083 418 L HA -0.175 4.165 4.340 -0.001 0.000 0.209 418 L C 2.347 179.165 176.870 -0.088 0.000 1.083 418 L CA 1.431 56.228 54.840 -0.073 0.000 0.752 418 L CB -0.753 41.287 42.059 -0.031 0.000 0.899 418 L HN 0.347 nan 8.230 nan 0.000 0.433 419 D N 0.068 120.428 120.400 -0.066 0.000 2.097 419 D HA -0.174 4.466 4.640 -0.001 0.000 0.197 419 D C 2.096 178.346 176.300 -0.085 0.000 0.984 419 D CA 1.005 54.973 54.000 -0.053 0.000 0.826 419 D CB -0.190 40.595 40.800 -0.025 0.000 0.973 419 D HN 0.121 nan 8.370 nan 0.000 0.460 420 L N 0.783 121.938 121.223 -0.114 0.000 2.042 420 L HA -0.132 4.207 4.340 -0.001 0.000 0.210 420 L C 2.094 178.749 176.870 -0.358 0.000 1.076 420 L CA 1.966 56.723 54.840 -0.138 0.000 0.749 420 L CB -0.754 41.233 42.059 -0.119 0.000 0.893 420 L HN 0.141 nan 8.230 nan 0.000 0.432 421 T N -4.443 109.758 114.554 -0.588 0.000 3.086 421 T HA 0.292 4.642 4.350 -0.001 0.000 0.250 421 T C 1.793 176.172 174.700 -0.535 0.000 1.074 421 T CA 0.320 61.728 62.100 -1.154 0.000 0.988 421 T CB -0.248 67.983 68.868 -1.063 0.000 0.988 421 T HN 0.273 nan 8.240 nan 0.000 0.530 422 A N 3.461 126.140 122.820 -0.234 0.000 1.903 422 A HA -0.199 4.120 4.320 -0.001 0.000 0.219 422 A C 2.003 179.594 177.584 0.012 0.000 1.191 422 A CA 2.047 54.046 52.037 -0.063 0.000 0.638 422 A CB -0.816 18.167 19.000 -0.027 0.000 0.823 422 A HN 0.723 nan 8.150 nan 0.000 0.451 423 D N -2.535 117.903 120.400 0.063 0.000 2.342 423 D HA 0.030 4.670 4.640 -0.001 0.000 0.221 423 D C -0.341 176.139 176.300 0.299 0.000 1.101 423 D CA -0.566 53.523 54.000 0.148 0.000 0.837 423 D CB -0.489 40.386 40.800 0.125 0.000 0.938 423 D HN 0.399 nan 8.370 nan 0.000 0.508 424 W N 2.681 124.005 121.300 0.040 0.000 2.251 424 W HA 0.275 4.934 4.660 -0.000 0.000 0.327 424 W C 0.990 177.480 176.519 -0.048 0.000 1.361 424 W CA -1.024 56.348 57.345 0.045 0.000 1.234 424 W CB 0.075 29.558 29.460 0.038 0.000 1.212 424 W HN -0.142 nan 8.180 nan 0.000 0.557 425 T N 1.271 115.915 114.554 0.150 0.000 2.882 425 T HA 0.246 4.596 4.350 -0.001 0.000 0.287 425 T C -1.671 173.007 174.700 -0.036 0.000 1.014 425 T CA -1.644 60.475 62.100 0.032 0.000 1.049 425 T CB 1.677 70.557 68.868 0.021 0.000 1.001 425 T HN 0.080 nan 8.240 nan 0.000 0.525 426 P HA -0.069 nan 4.420 nan 0.000 0.216 426 P C 1.578 178.837 177.300 -0.069 0.000 1.150 426 P CA 1.419 64.446 63.100 -0.120 0.000 0.843 426 P CB -0.251 31.397 31.700 -0.086 0.000 0.787 427 A N -0.318 122.481 122.820 -0.036 0.000 1.930 427 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 427 A C 2.164 179.733 177.584 -0.025 0.000 1.175 427 A CA 1.490 53.514 52.037 -0.022 0.000 0.627 427 A CB -1.074 17.919 19.000 -0.012 0.000 0.815 427 A HN 0.158 nan 8.150 nan 0.000 0.443 428 E N -0.396 119.791 120.200 -0.021 0.000 2.047 428 E HA -0.169 4.180 4.350 -0.001 0.000 0.191 428 E C 2.351 178.893 176.600 -0.097 0.000 0.987 428 E CA 1.106 57.493 56.400 -0.022 0.000 0.799 428 E CB -0.140 29.578 29.700 0.029 0.000 0.752 428 E HN 0.527 nan 8.360 nan 0.000 0.449 429 R N 0.870 121.319 120.500 -0.085 0.000 2.081 429 R HA -0.079 4.261 4.340 -0.001 0.000 0.235 429 R C 1.450 177.710 176.300 -0.067 0.000 1.131 429 R CA 0.653 56.702 56.100 -0.084 0.000 0.960 429 R CB -0.234 30.021 30.300 -0.075 0.000 0.856 429 R HN 0.066 nan 8.270 nan 0.000 0.436 433 R N 1.670 122.160 120.500 -0.018 0.000 2.091 433 R HA -0.090 4.250 4.340 -0.001 0.000 0.238 433 R C 1.183 177.521 176.300 0.063 0.000 1.136 433 R CA 2.457 58.575 56.100 0.031 0.000 0.959 433 R CB -0.294 30.028 30.300 0.036 0.000 0.856 433 R HN 0.525 nan 8.270 nan 0.000 0.437 434 N N -0.379 118.357 118.700 0.059 0.000 2.333 434 N HA -0.042 4.697 4.740 -0.001 0.000 0.178 434 N C 1.539 177.110 175.510 0.102 0.000 1.018 434 N CA 0.688 53.799 53.050 0.102 0.000 0.882 434 N CB 0.189 38.729 38.487 0.088 0.000 0.984 434 N HN 0.177 nan 8.380 nan 0.000 0.434 435 K N 0.316 120.744 120.400 0.047 0.000 2.242 435 K HA 0.113 4.433 4.320 -0.001 0.000 0.200 435 K C 1.748 178.357 176.600 0.016 0.000 1.050 435 K CA 0.213 56.511 56.287 0.020 0.000 0.981 435 K CB 0.257 32.750 32.500 -0.011 0.000 0.795 435 K HN -0.054 nan 8.250 nan 0.000 0.477 436 V N 2.080 122.005 119.914 0.019 0.000 2.324 436 V HA -0.198 3.921 4.120 -0.001 0.000 0.250 436 V C -1.121 175.006 176.094 0.056 0.000 1.060 436 V CA 1.895 64.205 62.300 0.018 0.000 1.042 436 V CB -1.143 30.690 31.823 0.017 0.000 0.650 436 V HN 0.181 nan 8.190 nan 0.000 0.450 437 P HA -0.120 nan 4.420 nan 0.000 0.218 437 P C 1.692 179.114 177.300 0.203 0.000 1.146 437 P CA 1.353 64.579 63.100 0.211 0.000 0.813 437 P CB -0.004 31.895 31.700 0.332 0.000 0.778 438 V N -1.206 118.739 119.914 0.052 0.000 2.492 438 V HA -0.074 4.046 4.120 -0.001 0.000 0.241 438 V C 2.157 178.180 176.094 -0.119 0.000 1.041 438 V CA 2.333 64.540 62.300 -0.156 0.000 1.057 438 V CB -1.419 30.229 31.823 -0.292 0.000 0.711 438 V HN 0.203 nan 8.190 nan 0.000 0.468 439 T N -3.092 111.414 114.554 -0.080 0.000 3.001 439 T HA 0.444 4.794 4.350 -0.001 0.000 0.251 439 T C 1.397 176.059 174.700 -0.064 0.000 1.040 439 T CA 0.757 62.809 62.100 -0.079 0.000 0.985 439 T CB 0.674 69.496 68.868 -0.075 0.000 1.011 439 T HN 0.817 nan 8.240 nan 0.000 0.509 440 G N 2.614 111.387 108.800 -0.045 0.000 2.622 440 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.307 440 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.307 440 G C 0.673 175.537 174.900 -0.060 0.000 1.226 440 G CA 0.397 45.470 45.100 -0.045 0.000 0.997 440 G HN 0.485 nan 8.290 nan 0.000 0.551 441 L N 0.765 121.944 121.223 -0.074 0.000 2.478 441 L HA 0.113 4.453 4.340 -0.001 0.000 0.223 441 L C 2.456 179.263 176.870 -0.105 0.000 1.140 441 L CA 1.221 56.008 54.840 -0.089 0.000 0.842 441 L CB -0.284 41.717 42.059 -0.097 0.000 0.953 441 L HN 0.430 nan 8.230 nan 0.000 0.452 442 K N -0.438 119.908 120.400 -0.090 0.000 2.458 442 K HA 0.069 4.388 4.320 -0.001 0.000 0.194 442 K C 0.313 176.873 176.600 -0.067 0.000 1.024 442 K CA -0.029 56.207 56.287 -0.085 0.000 1.108 442 K CB 0.006 32.461 32.500 -0.075 0.000 0.846 442 K HN 0.116 nan 8.250 nan 0.000 0.518 443 T N 4.003 118.520 114.554 -0.062 0.000 2.817 443 T HA 0.081 4.430 4.350 -0.001 0.000 0.295 443 T C -2.468 172.223 174.700 -0.016 0.000 0.958 443 T CA -1.138 60.935 62.100 -0.045 0.000 1.157 443 T CB 0.610 69.446 68.868 -0.053 0.000 0.898 443 T HN -0.035 nan 8.240 nan 0.000 0.536 444 P HA 0.200 nan 4.420 nan 0.000 0.265 444 P C -0.933 176.434 177.300 0.111 0.000 1.193 444 P CA -0.174 62.945 63.100 0.031 0.000 0.765 444 P CB 0.203 31.906 31.700 0.006 0.000 0.823 445 F N 4.705 124.604 119.950 -0.085 0.000 2.617 445 F HA 0.391 4.917 4.527 -0.001 0.000 0.325 445 F C 0.804 176.554 175.800 -0.084 0.000 1.179 445 F CA -0.585 57.339 58.000 -0.127 0.000 0.965 445 F CB 0.902 39.796 39.000 -0.177 0.000 1.232 445 F HN 0.392 nan 8.300 nan 0.000 0.461 446 R N 1.946 122.116 120.500 -0.551 0.000 3.869 446 R HA -0.270 4.070 4.340 -0.001 0.000 0.424 446 R C -0.231 175.944 176.300 -0.208 0.000 0.241 446 R CA 1.971 57.789 56.100 -0.470 0.000 1.351 446 R CB -0.977 28.904 30.300 -0.698 0.000 0.979 446 R HN 0.631 nan 8.270 nan 0.000 0.572 447 D N 1.223 121.531 120.400 -0.153 0.000 2.427 447 D HA 0.293 4.933 4.640 -0.001 0.000 0.224 447 D C 0.535 176.834 176.300 -0.002 0.000 1.157 447 D CA 1.024 54.984 54.000 -0.067 0.000 0.828 447 D CB 0.934 41.697 40.800 -0.062 0.000 0.974 447 D HN 0.478 nan 8.370 nan 0.000 0.498 448 G N -0.421 108.407 108.800 0.047 0.000 2.933 448 G HA2 0.595 4.555 3.960 -0.001 0.000 0.203 448 G HA3 0.595 4.555 3.960 -0.001 0.000 0.203 448 G C -1.291 173.707 174.900 0.164 0.000 1.170 448 G CA -0.515 44.699 45.100 0.190 0.000 0.880 448 G HN 0.062 nan 8.290 nan 0.000 0.573 449 L N 0.285 121.607 121.223 0.164 0.000 2.341 449 L HA 0.431 4.771 4.340 -0.001 0.000 0.267 449 L C 1.221 178.070 176.870 -0.034 0.000 1.009 449 L CA -0.826 53.987 54.840 -0.045 0.000 0.819 449 L CB 2.265 44.171 42.059 -0.255 0.000 1.323 449 L HN 0.463 nan 8.230 nan 0.000 0.425 450 L N 1.825 123.033 121.223 -0.026 0.000 2.129 450 L HA -0.205 4.134 4.340 -0.001 0.000 0.212 450 L C 2.503 179.339 176.870 -0.057 0.000 1.087 450 L CA 1.879 56.696 54.840 -0.038 0.000 0.757 450 L CB -0.706 41.296 42.059 -0.094 0.000 0.896 450 L HN 0.739 nan 8.230 nan 0.000 0.434 451 K N -1.195 119.106 120.400 -0.166 0.000 2.089 451 K HA -0.282 4.038 4.320 -0.001 0.000 0.210 451 K C 1.947 178.485 176.600 -0.103 0.000 1.048 451 K CA 2.312 58.487 56.287 -0.187 0.000 0.926 451 K CB -0.345 31.977 32.500 -0.297 0.000 0.714 451 K HN 0.614 nan 8.250 nan 0.000 0.448 452 H N -0.731 118.378 119.070 0.065 0.000 2.423 452 H HA -0.061 4.495 4.556 -0.001 0.000 0.297 452 H C 2.081 177.476 175.328 0.111 0.000 1.075 452 H CA 1.131 57.226 56.048 0.078 0.000 1.342 452 H CB 0.183 29.992 29.762 0.078 0.000 1.395 452 H HN -0.009 nan 8.280 nan 0.000 0.530 453 V N 0.951 121.008 119.914 0.238 0.000 2.358 453 V HA -0.225 3.894 4.120 -0.001 0.000 0.246 453 V C 2.642 178.840 176.094 0.173 0.000 1.047 453 V CA 1.529 63.976 62.300 0.244 0.000 1.035 453 V CB -0.871 31.132 31.823 0.299 0.000 0.658 453 V HN 0.554 nan 8.190 nan 0.000 0.452 454 A N -0.186 122.706 122.820 0.120 0.000 1.933 454 A HA -0.244 4.075 4.320 -0.001 0.000 0.218 454 A C 2.158 179.796 177.584 0.090 0.000 1.175 454 A CA 1.866 53.960 52.037 0.095 0.000 0.628 454 A CB -0.469 18.551 19.000 0.034 0.000 0.814 454 A HN 0.622 nan 8.150 nan 0.000 0.444 455 E N -0.011 120.242 120.200 0.089 0.000 2.049 455 E HA -0.219 4.130 4.350 -0.001 0.000 0.198 455 E C 1.516 178.164 176.600 0.081 0.000 1.007 455 E CA 1.434 57.884 56.400 0.083 0.000 0.809 455 E CB -0.204 29.559 29.700 0.105 0.000 0.749 455 E HN 0.546 nan 8.360 nan 0.000 0.450 456 D N 0.007 120.466 120.400 0.098 0.000 2.117 456 D HA -0.111 4.529 4.640 -0.001 0.000 0.198 456 D C 2.062 178.397 176.300 0.059 0.000 0.982 456 D CA 0.711 54.758 54.000 0.079 0.000 0.828 456 D CB -0.209 40.649 40.800 0.096 0.000 0.967 456 D HN 0.024 nan 8.370 nan 0.000 0.464 457 V N 1.060 121.018 119.914 0.073 0.000 2.358 457 V HA -0.183 3.937 4.120 -0.001 0.000 0.246 457 V C 2.395 178.507 176.094 0.029 0.000 1.047 457 V CA 0.928 63.252 62.300 0.041 0.000 1.035 457 V CB -0.341 31.536 31.823 0.091 0.000 0.658 457 V HN 0.131 nan 8.190 nan 0.000 0.452 458 L N 0.350 121.627 121.223 0.090 0.000 2.056 458 L HA -0.116 4.223 4.340 -0.001 0.000 0.207 458 L C 2.367 179.262 176.870 0.042 0.000 1.078 458 L CA 2.000 56.898 54.840 0.096 0.000 0.749 458 L CB -0.834 41.282 42.059 0.096 0.000 0.901 458 L HN 0.183 nan 8.230 nan 0.000 0.433 459 K N -0.463 119.957 120.400 0.034 0.000 2.097 459 K HA -0.153 4.167 4.320 -0.001 0.000 0.206 459 K C 2.115 178.721 176.600 0.009 0.000 1.049 459 K CA 1.617 57.918 56.287 0.024 0.000 0.933 459 K CB -0.214 32.302 32.500 0.027 0.000 0.717 459 K HN 0.422 nan 8.250 nan 0.000 0.442 460 L N 0.444 121.664 121.223 -0.004 0.000 2.046 460 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 460 L C 2.636 179.479 176.870 -0.045 0.000 1.077 460 L CA 1.231 56.058 54.840 -0.023 0.000 0.747 460 L CB -0.508 41.529 42.059 -0.037 0.000 0.896 460 L HN 0.222 nan 8.230 nan 0.000 0.432 461 A N 0.117 122.885 122.820 -0.087 0.000 1.908 461 A HA -0.236 4.083 4.320 -0.001 0.000 0.218 461 A C 2.306 179.873 177.584 -0.028 0.000 1.181 461 A CA 1.760 53.724 52.037 -0.122 0.000 0.627 461 A CB -0.364 18.510 19.000 -0.209 0.000 0.818 461 A HN 0.324 nan 8.150 nan 0.000 0.445 462 K N -0.457 119.946 120.400 0.006 0.000 2.057 462 K HA -0.159 4.161 4.320 -0.001 0.000 0.207 462 K C 1.592 178.209 176.600 0.029 0.000 1.049 462 K CA 1.449 57.754 56.287 0.030 0.000 0.931 462 K CB -0.313 32.207 32.500 0.032 0.000 0.714 462 K HN 0.401 nan 8.250 nan 0.000 0.440 463 D N 0.292 120.703 120.400 0.019 0.000 2.104 463 D HA -0.141 4.499 4.640 -0.001 0.000 0.194 463 D C 1.988 178.307 176.300 0.030 0.000 0.994 463 D CA 1.528 55.541 54.000 0.021 0.000 0.830 463 D CB -0.625 40.184 40.800 0.015 0.000 0.959 463 D HN 0.367 nan 8.370 nan 0.000 0.452 464 G N 0.513 109.331 108.800 0.029 0.000 2.422 464 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.218 464 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.218 464 G C 1.773 176.720 174.900 0.078 0.000 1.146 464 G CA 0.311 45.443 45.100 0.053 0.000 0.769 464 G HN 0.256 nan 8.290 nan 0.000 0.547 465 L N 0.103 121.371 121.223 0.075 0.000 2.109 465 L HA -0.006 4.334 4.340 -0.001 0.000 0.207 465 L C 2.930 179.857 176.870 0.095 0.000 1.086 465 L CA 0.880 55.784 54.840 0.107 0.000 0.760 465 L CB -0.374 41.752 42.059 0.112 0.000 0.910 465 L HN 0.236 nan 8.230 nan 0.000 0.437 466 E N 0.451 120.690 120.200 0.066 0.000 2.051 466 E HA -0.220 4.129 4.350 -0.001 0.000 0.192 466 E C 2.236 178.854 176.600 0.030 0.000 0.991 466 E CA 1.127 57.556 56.400 0.049 0.000 0.799 466 E CB -0.166 29.555 29.700 0.036 0.000 0.748 466 E HN 0.475 nan 8.360 nan 0.000 0.449 467 R N 0.549 121.065 120.500 0.027 0.000 2.189 467 R HA -0.003 4.337 4.340 -0.001 0.000 0.223 467 R C 2.362 178.651 176.300 -0.018 0.000 1.092 467 R CA 0.425 56.529 56.100 0.007 0.000 0.989 467 R CB -0.083 30.228 30.300 0.018 0.000 0.876 467 R HN 0.061 nan 8.270 nan 0.000 0.457 468 R N -0.424 120.079 120.500 0.005 0.000 2.152 468 R HA -0.072 4.268 4.340 -0.001 0.000 0.232 468 R C 1.244 177.361 176.300 -0.306 0.000 1.117 468 R CA 1.060 57.125 56.100 -0.058 0.000 0.981 468 R CB -0.027 30.353 30.300 0.134 0.000 0.870 468 R HN 0.439 nan 8.270 nan 0.000 0.451 469 G N -0.703 107.999 108.800 -0.164 0.000 2.143 469 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.249 469 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.249 469 G C 0.201 175.011 174.900 -0.149 0.000 0.981 469 G CA 0.300 45.292 45.100 -0.181 0.000 0.665 469 G HN 0.390 nan 8.290 nan 0.000 0.528 470 Y N 0.525 120.900 120.300 0.125 0.000 2.485 470 Y HA 0.330 4.880 4.550 -0.000 0.000 0.260 470 Y C 1.500 177.565 175.900 0.275 0.000 1.173 470 Y CA -0.112 58.100 58.100 0.185 0.000 1.252 470 Y CB 0.470 39.056 38.460 0.211 0.000 1.123 470 Y HN 0.274 nan 8.280 nan 0.000 0.524 471 K N 0.134 120.721 120.400 0.312 0.000 3.125 471 K HA -0.266 4.054 4.320 -0.001 0.000 0.268 471 K C -0.069 176.723 176.600 0.320 0.000 1.078 471 K CA 0.891 57.339 56.287 0.268 0.000 0.775 471 K CB -2.007 30.627 32.500 0.225 0.000 1.253 471 K HN 0.587 nan 8.250 nan 0.000 0.486 472 E N 0.153 120.501 120.200 0.246 0.000 2.474 472 E HA 0.030 4.380 4.350 -0.001 0.000 0.195 472 E C 1.570 178.276 176.600 0.177 0.000 1.039 472 E CA 0.250 56.762 56.400 0.187 0.000 0.881 472 E CB 0.385 30.212 29.700 0.213 0.000 0.970 472 E HN 0.215 nan 8.360 nan 0.000 0.486 473 V N 0.793 120.776 119.914 0.115 0.000 2.594 473 V HA -0.162 3.957 4.120 -0.001 0.000 0.253 473 V C 1.987 178.107 176.094 0.045 0.000 1.069 473 V CA 2.157 64.509 62.300 0.088 0.000 1.082 473 V CB -0.408 31.453 31.823 0.064 0.000 0.680 473 V HN 0.425 nan 8.190 nan 0.000 0.469 474 G N -1.213 107.560 108.800 -0.045 0.000 2.470 474 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.220 474 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.220 474 G C 1.240 176.062 174.900 -0.130 0.000 1.121 474 G CA 0.585 45.615 45.100 -0.118 0.000 0.766 474 G HN 0.543 nan 8.290 nan 0.000 0.553 475 F N 0.375 120.348 119.950 0.038 0.000 2.494 475 F HA 0.162 4.688 4.527 -0.001 0.000 0.298 475 F C 2.176 177.993 175.800 0.027 0.000 1.106 475 F CA 0.417 58.436 58.000 0.030 0.000 1.452 475 F CB 0.028 39.044 39.000 0.026 0.000 1.085 475 F HN 0.083 nan 8.300 nan 0.000 0.569 476 L N -0.673 120.649 121.223 0.166 0.000 2.607 476 L HA 0.029 4.368 4.340 -0.001 0.000 0.228 476 L C 1.585 178.473 176.870 0.030 0.000 1.123 476 L CA -0.018 54.887 54.840 0.109 0.000 0.890 476 L CB -0.434 41.694 42.059 0.115 0.000 1.103 476 L HN 0.014 nan 8.230 nan 0.000 0.468 477 N N 1.394 120.097 118.700 0.006 0.000 2.205 477 N HA -0.171 4.568 4.740 -0.001 0.000 0.186 477 N C 1.901 177.373 175.510 -0.063 0.000 1.015 477 N CA 1.471 54.502 53.050 -0.032 0.000 0.862 477 N CB -0.059 38.401 38.487 -0.045 0.000 0.986 477 N HN 0.306 nan 8.380 nan 0.000 0.429 478 A N 0.323 123.099 122.820 -0.074 0.000 2.121 478 A HA -0.030 4.289 4.320 -0.001 0.000 0.218 478 A C 1.912 179.387 177.584 -0.182 0.000 1.154 478 A CA 1.342 53.301 52.037 -0.130 0.000 0.679 478 A CB -0.199 18.718 19.000 -0.138 0.000 0.795 478 A HN 0.228 nan 8.150 nan 0.000 0.458 479 V N -5.220 114.588 119.914 -0.176 0.000 3.477 479 V HA 0.145 4.264 4.120 -0.001 0.000 0.297 479 V C 1.515 177.517 176.094 -0.153 0.000 1.433 479 V CA 1.006 63.156 62.300 -0.251 0.000 1.052 479 V CB -0.618 30.974 31.823 -0.385 0.000 0.895 479 V HN 0.194 nan 8.190 nan 0.000 0.438 480 T N 0.604 115.101 114.554 -0.095 0.000 2.777 480 T HA -0.077 4.273 4.350 -0.001 0.000 0.266 480 T C 1.828 176.490 174.700 -0.063 0.000 1.040 480 T CA 1.957 64.022 62.100 -0.058 0.000 1.141 480 T CB -0.150 68.697 68.868 -0.035 0.000 0.868 480 T HN 0.471 nan 8.240 nan 0.000 0.444 481 E N 0.730 120.884 120.200 -0.076 0.000 2.107 481 E HA -0.034 4.315 4.350 -0.001 0.000 0.191 481 E C 2.455 179.005 176.600 -0.084 0.000 0.982 481 E CA 0.478 56.836 56.400 -0.070 0.000 0.809 481 E CB -0.429 29.229 29.700 -0.069 0.000 0.756 481 E HN 0.288 nan 8.360 nan 0.000 0.459 482 V N 0.891 120.735 119.914 -0.118 0.000 2.255 482 V HA -0.245 3.875 4.120 -0.001 0.000 0.247 482 V C 2.550 178.580 176.094 -0.107 0.000 1.051 482 V CA 1.540 63.760 62.300 -0.134 0.000 1.018 482 V CB -0.569 31.134 31.823 -0.200 0.000 0.641 482 V HN 0.077 nan 8.190 nan 0.000 0.445 483 V N -0.572 119.283 119.914 -0.097 0.000 2.427 483 V HA -0.190 3.930 4.120 -0.001 0.000 0.248 483 V C 2.622 178.693 176.094 -0.038 0.000 1.051 483 V CA 1.816 64.078 62.300 -0.063 0.000 1.048 483 V CB -0.761 31.038 31.823 -0.040 0.000 0.666 483 V HN 0.416 nan 8.190 nan 0.000 0.456 484 R N 0.558 121.037 120.500 -0.035 0.000 2.073 484 R HA -0.151 4.188 4.340 -0.001 0.000 0.234 484 R C 2.471 178.759 176.300 -0.021 0.000 1.134 484 R CA 2.204 58.293 56.100 -0.018 0.000 0.952 484 R CB -0.651 29.637 30.300 -0.020 0.000 0.850 484 R HN 0.710 nan 8.270 nan 0.000 0.433 485 T N -3.684 110.847 114.554 -0.038 0.000 3.043 485 T HA 0.094 4.443 4.350 -0.001 0.000 0.263 485 T C 1.347 176.017 174.700 -0.050 0.000 1.094 485 T CA 0.836 62.912 62.100 -0.040 0.000 1.127 485 T CB 0.210 69.048 68.868 -0.049 0.000 0.905 485 T HN 0.420 nan 8.240 nan 0.000 0.490 486 G N 0.802 109.564 108.800 -0.064 0.000 2.168 486 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.257 486 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.257 486 G C 0.012 174.862 174.900 -0.084 0.000 0.997 486 G CA 0.143 45.194 45.100 -0.081 0.000 0.708 486 G HN 0.757 nan 8.290 nan 0.000 0.520 487 V N 1.934 121.797 119.914 -0.084 0.000 2.347 487 V HA 0.606 4.726 4.120 -0.001 0.000 0.280 487 V C 1.035 177.068 176.094 -0.102 0.000 1.021 487 V CA -0.100 62.148 62.300 -0.087 0.000 0.847 487 V CB 1.261 33.037 31.823 -0.079 0.000 0.990 487 V HN 0.672 nan 8.190 nan 0.000 0.444 488 T N 3.437 117.929 114.554 -0.104 0.000 2.860 488 T HA 0.245 4.595 4.350 -0.001 0.000 0.299 488 T C -1.613 173.019 174.700 -0.113 0.000 1.045 488 T CA -1.501 60.531 62.100 -0.114 0.000 1.071 488 T CB 1.217 70.028 68.868 -0.095 0.000 0.985 488 T HN 0.412 nan 8.240 nan 0.000 0.537 489 P HA -0.103 nan 4.420 nan 0.000 0.216 489 P C 1.627 178.874 177.300 -0.088 0.000 1.150 489 P CA 1.608 64.651 63.100 -0.095 0.000 0.843 489 P CB -0.323 31.327 31.700 -0.084 0.000 0.787 490 A N -0.096 122.665 122.820 -0.099 0.000 1.933 490 A HA -0.231 4.089 4.320 -0.001 0.000 0.218 490 A C 2.151 179.627 177.584 -0.181 0.000 1.175 490 A CA 1.665 53.613 52.037 -0.150 0.000 0.628 490 A CB -1.200 17.715 19.000 -0.142 0.000 0.814 490 A HN 0.192 nan 8.150 nan 0.000 0.444 491 E N -0.072 120.044 120.200 -0.140 0.000 2.153 491 E HA -0.181 4.169 4.350 -0.001 0.000 0.194 491 E C 1.758 178.283 176.600 -0.124 0.000 0.988 491 E CA 1.343 57.666 56.400 -0.129 0.000 0.811 491 E CB -0.260 29.376 29.700 -0.106 0.000 0.746 491 E HN 0.793 nan 8.360 nan 0.000 0.466 492 N N 0.354 118.984 118.700 -0.117 0.000 2.188 492 N HA -0.102 4.638 4.740 -0.001 0.000 0.184 492 N C 1.768 177.181 175.510 -0.162 0.000 1.018 492 N CA 0.630 53.609 53.050 -0.119 0.000 0.858 492 N CB 0.004 38.436 38.487 -0.092 0.000 0.989 492 N HN 0.060 nan 8.380 nan 0.000 0.426 493 L N 0.266 121.405 121.223 -0.140 0.000 2.093 493 L HA -0.107 4.232 4.340 -0.001 0.000 0.208 493 L C 1.871 178.656 176.870 -0.142 0.000 1.085 493 L CA 0.467 55.221 54.840 -0.145 0.000 0.755 493 L CB -0.325 41.770 42.059 0.061 0.000 0.904 493 L HN 0.210 nan 8.230 nan 0.000 0.435 494 L N 0.225 121.373 121.223 -0.124 0.000 2.042 494 L HA -0.123 4.216 4.340 -0.001 0.000 0.210 494 L C 1.698 178.553 176.870 -0.026 0.000 1.076 494 L CA 1.280 56.099 54.840 -0.035 0.000 0.749 494 L CB -0.933 41.057 42.059 -0.115 0.000 0.893 494 L HN 0.336 nan 8.230 nan 0.000 0.432 498 N N 1.402 120.121 118.700 0.032 0.000 2.515 498 N HA 0.142 4.882 4.740 -0.001 0.000 0.185 498 N C 0.861 176.328 175.510 -0.072 0.000 1.109 498 N CA 1.227 54.266 53.050 -0.018 0.000 0.903 498 N CB 0.736 39.260 38.487 0.062 0.000 0.969 498 N HN 0.623 nan 8.380 nan 0.000 0.450 499 G N 1.383 110.123 108.800 -0.101 0.000 2.851 499 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.208 499 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.208 499 G C 0.875 175.750 174.900 -0.042 0.000 1.894 499 G CA 0.043 45.098 45.100 -0.075 0.000 0.732 499 G HN 0.237 nan 8.290 nan 0.000 0.802 500 E N -0.325 119.858 120.200 -0.028 0.000 2.171 500 E HA -0.213 4.137 4.350 -0.001 0.000 0.197 500 E C 1.853 178.588 176.600 0.226 0.000 0.997 500 E CA 1.500 57.949 56.400 0.081 0.000 0.810 500 E CB -0.241 29.522 29.700 0.105 0.000 0.738 500 E HN 0.460 nan 8.360 nan 0.000 0.467 501 W N 0.999 122.264 121.300 -0.058 0.000 2.800 501 W HA 0.273 4.932 4.660 -0.001 0.000 0.249 501 W C 1.466 177.893 176.519 -0.154 0.000 1.294 501 W CA 0.801 58.094 57.345 -0.088 0.000 1.402 501 W CB -0.529 28.884 29.460 -0.078 0.000 1.126 501 W HN 0.323 nan 8.180 nan 0.000 0.652 502 G N 0.996 109.820 108.800 0.041 0.000 2.221 502 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.265 502 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.265 502 G C 0.431 175.215 174.900 -0.193 0.000 1.041 502 G CA 0.428 45.486 45.100 -0.069 0.000 0.807 502 G HN 0.293 nan 8.290 nan 0.000 0.502 503 Q N -2.052 117.494 119.800 -0.423 0.000 2.478 503 Q HA -0.124 4.215 4.340 -0.001 0.000 0.286 503 Q C 0.411 176.097 176.000 -0.523 0.000 1.299 503 Q CA 1.461 56.703 55.803 -0.935 0.000 0.826 503 Q CB -1.875 26.537 28.738 -0.545 0.000 1.199 503 Q HN 1.442 nan 8.270 nan 0.000 0.451 504 S N -1.003 114.539 115.700 -0.263 0.000 2.526 504 S HA 0.634 5.104 4.470 -0.001 0.000 0.293 504 S C 0.837 175.452 174.600 0.025 0.000 1.092 504 S CA -0.315 57.843 58.200 -0.071 0.000 0.980 504 S CB 1.779 64.911 63.200 -0.114 0.000 1.048 504 S HN 0.656 nan 8.310 nan 0.000 0.483 505 V N 1.236 121.112 119.914 -0.063 0.000 3.129 505 V HA 0.142 4.262 4.120 -0.001 0.000 0.259 505 V C 1.505 177.383 176.094 -0.359 0.000 1.116 505 V CA 1.151 63.272 62.300 -0.298 0.000 1.127 505 V CB -0.831 30.709 31.823 -0.472 0.000 0.742 505 V HN 0.736 nan 8.190 nan 0.000 0.474 506 D N 1.940 122.178 120.400 -0.270 0.000 2.149 506 D HA -0.112 4.528 4.640 -0.001 0.000 0.194 506 D C -0.240 175.883 176.300 -0.295 0.000 1.001 506 D CA 2.204 56.072 54.000 -0.220 0.000 0.849 506 D CB -1.700 38.959 40.800 -0.235 0.000 0.939 506 D HN 0.453 nan 8.370 nan 0.000 0.449 507 P HA -0.067 nan 4.420 nan 0.000 0.228 507 P C 1.566 178.353 177.300 -0.855 0.000 1.151 507 P CA 0.301 62.919 63.100 -0.804 0.000 0.770 507 P CB 0.134 31.035 31.700 -1.333 0.000 0.786 508 V N -1.526 117.834 119.914 -0.924 0.000 2.626 508 V HA -0.180 3.939 4.120 -0.001 0.000 0.252 508 V C 1.572 177.462 176.094 -0.340 0.000 1.067 508 V CA 1.516 63.519 62.300 -0.496 0.000 1.081 508 V CB -1.098 30.556 31.823 -0.281 0.000 0.686 508 V HN -0.001 nan 8.190 nan 0.000 0.468 509 F N -0.169 119.578 119.950 -0.339 0.000 2.604 509 F HA -0.045 4.482 4.527 -0.001 0.000 0.298 509 F C 2.311 178.089 175.800 -0.036 0.000 1.131 509 F CA 1.121 58.939 58.000 -0.304 0.000 1.457 509 F CB -0.018 38.670 39.000 -0.520 0.000 1.095 509 F HN 0.258 nan 8.300 nan 0.000 0.574 510 Q N -0.697 119.144 119.800 0.068 0.000 2.387 510 Q HA -0.077 4.262 4.340 -0.001 0.000 0.208 510 Q C 1.939 177.983 176.000 0.072 0.000 0.935 510 Q CA 0.537 56.391 55.803 0.085 0.000 0.891 510 Q CB -0.126 28.633 28.738 0.036 0.000 1.007 510 Q HN 0.144 nan 8.270 nan 0.000 0.548 511 E N 1.364 121.586 120.200 0.038 0.000 2.070 511 E HA -0.153 4.197 4.350 -0.001 0.000 0.197 511 E C 0.886 177.540 176.600 0.090 0.000 1.004 511 E CA 1.285 57.755 56.400 0.117 0.000 0.805 511 E CB 0.032 29.889 29.700 0.261 0.000 0.744 511 E HN 0.255 nan 8.360 nan 0.000 0.451 512 L N 0.688 121.933 121.223 0.037 0.000 2.872 512 L HA 0.276 4.616 4.340 -0.001 0.000 0.245 512 L C -0.071 176.772 176.870 -0.045 0.000 1.211 512 L CA -0.818 54.009 54.840 -0.021 0.000 1.013 512 L CB 0.275 42.315 42.059 -0.032 0.000 1.326 512 L HN 0.127 nan 8.230 nan 0.000 0.525 513 L N 0.616 121.886 121.223 0.078 0.000 2.513 513 L HA 0.103 4.442 4.340 -0.001 0.000 0.272 513 L C 0.071 177.019 176.870 0.131 0.000 1.187 513 L CA 0.368 55.326 54.840 0.197 0.000 0.895 513 L CB 0.024 42.236 42.059 0.255 0.000 1.147 513 L HN -0.038 nan 8.230 nan 0.000 0.483 514 Y N 0.000 120.470 120.300 0.284 0.000 2.660 514 Y HA 0.000 4.550 4.550 -0.001 0.000 0.201 514 Y CA 0.000 58.241 58.100 0.235 0.000 1.940 514 Y CB 0.000 38.594 38.460 0.224 0.000 1.050 514 Y HN 0.000 nan 8.280 nan 0.000 0.758