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 1nsi_1_A DATA FIRST_RESID 83 DATA SEQUENCE RHVRIKNWGS GMTFQDTLHH KAKGILTCRS KSCLGSIMTP KSLTRGPRDK DATA SEQUENCE PTPPDELLPQ AIEFVNQYYG SFKEAKIEEH LARVEAVTKE IETTGTYQLT DATA SEQUENCE GDELIFATKQ AWRNAPRCIG RIQWSNLQVF DARSCSTARE MFEHICRHVR DATA SEQUENCE YSTNNGNIRS AITVFPQRSD GKHDFRVWNA QLIRYAGYQM PDGSIRGDPA DATA SEQUENCE NVEFTQLCID LGWKPKYGRF DVVPLVLQAN GRDPELFEIP PDLVLEVAME DATA SEQUENCE HPKYEWFREL ELKWYALPAV ANMLLEVGGL EFPGCPFNGW YMGTEIGVRD DATA SEQUENCE FCDVQRYNIL EEVGRRMGLE THKLASLWKD QAVVEINIAV LHSFQKQNVT DATA SEQUENCE IMDHHSAAES FMKYMQNEYR SRGGCPADWI WLVPPMSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ VEAWKTHVWQ 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 83 R HA 0.000 nan 4.340 nan 0.000 0.208 83 R C 0.000 176.279 176.300 -0.036 0.000 0.893 83 R CA 0.000 56.127 56.100 0.044 0.000 0.921 83 R CB 0.000 30.479 30.300 0.298 0.000 0.687 84 H N 2.877 122.056 119.070 0.181 0.000 2.691 84 H HA 0.353 4.907 4.556 -0.003 0.000 0.281 84 H C -0.465 174.915 175.328 0.087 0.000 1.121 84 H CA -0.635 55.494 56.048 0.135 0.000 1.254 84 H CB 1.299 31.116 29.762 0.092 0.000 1.390 84 H HN 0.152 nan 8.280 nan 0.000 0.491 85 V N 3.870 123.847 119.914 0.105 0.000 2.405 85 V HA 0.100 4.218 4.120 -0.003 0.000 0.264 85 V C 0.786 176.904 176.094 0.040 0.000 1.048 85 V CA -0.431 61.882 62.300 0.021 0.000 0.966 85 V CB 0.354 32.082 31.823 -0.158 0.000 1.015 85 V HN 0.695 nan 8.190 nan 0.000 0.477 86 R N 4.976 125.505 120.500 0.050 0.000 2.347 86 R HA 0.323 4.661 4.340 -0.003 0.000 0.304 86 R C -0.810 175.490 176.300 -0.001 0.000 1.072 86 R CA -0.412 55.702 56.100 0.023 0.000 0.980 86 R CB 0.397 30.701 30.300 0.006 0.000 0.986 86 R HN 0.490 nan 8.270 nan 0.000 0.448 87 I N 4.262 124.819 120.570 -0.022 0.000 2.441 87 I HA 0.339 4.507 4.170 -0.003 0.000 0.295 87 I C -0.193 175.833 176.117 -0.153 0.000 0.994 87 I CA -0.453 60.829 61.300 -0.030 0.000 1.144 87 I CB 1.650 39.664 38.000 0.023 0.000 1.314 87 I HN 0.626 nan 8.210 nan 0.000 0.445 88 K N 5.033 125.295 120.400 -0.230 0.000 2.426 88 K HA 0.348 4.666 4.320 -0.003 0.000 0.251 88 K C -0.788 175.498 176.600 -0.524 0.000 0.941 88 K CA -0.653 55.334 56.287 -0.500 0.000 0.808 88 K CB 1.882 33.889 32.500 -0.823 0.000 1.265 88 K HN 0.522 nan 8.250 nan 0.000 0.432 89 N N 3.945 122.363 118.700 -0.470 0.000 2.546 89 N HA 0.095 4.833 4.740 -0.003 0.000 0.238 89 N C -0.175 175.190 175.510 -0.241 0.000 0.984 89 N CA -0.326 52.594 53.050 -0.217 0.000 0.935 89 N CB 0.400 38.833 38.487 -0.090 0.000 1.122 89 N HN 0.645 nan 8.380 nan 0.000 0.510 90 W N 2.324 123.699 121.300 0.126 0.000 2.632 90 W HA 0.095 4.753 4.660 -0.003 0.000 0.248 90 W C 2.017 178.584 176.519 0.079 0.000 1.259 90 W CA 0.120 57.534 57.345 0.114 0.000 1.288 90 W CB 0.220 29.780 29.460 0.166 0.000 1.136 90 W HN 0.598 nan 8.180 nan 0.000 0.640 91 G N -0.487 108.430 108.800 0.196 0.000 2.441 91 G HA2 -0.135 3.823 3.960 -0.003 0.000 0.212 91 G HA3 -0.135 3.823 3.960 -0.003 0.000 0.212 91 G C 1.453 176.343 174.900 -0.016 0.000 1.164 91 G CA 1.037 46.124 45.100 -0.022 0.000 0.811 91 G HN 0.261 nan 8.290 nan 0.000 0.535 92 S N -1.387 114.303 115.700 -0.016 0.000 2.540 92 S HA 0.402 4.870 4.470 -0.003 0.000 0.222 92 S C 1.769 176.318 174.600 -0.084 0.000 1.008 92 S CA 1.019 59.192 58.200 -0.045 0.000 0.939 92 S CB 0.531 63.706 63.200 -0.043 0.000 0.865 92 S HN 1.472 nan 8.310 nan 0.000 0.499 93 G N 1.422 110.151 108.800 -0.118 0.000 2.184 93 G HA2 -0.333 3.625 3.960 -0.003 0.000 0.264 93 G HA3 -0.333 3.625 3.960 -0.003 0.000 0.264 93 G C 0.016 174.757 174.900 -0.266 0.000 0.975 93 G CA 0.419 45.413 45.100 -0.178 0.000 0.642 93 G HN 0.634 nan 8.290 nan 0.000 0.536 94 M N 2.031 121.454 119.600 -0.294 0.000 2.252 94 M HA 0.534 5.012 4.480 -0.003 0.000 0.348 94 M C 0.565 176.497 176.300 -0.614 0.000 1.334 94 M CA 0.859 55.895 55.300 -0.441 0.000 1.071 94 M CB 0.722 33.053 32.600 -0.449 0.000 1.763 94 M HN 0.319 nan 8.290 nan 0.000 0.452 95 T N 5.311 119.473 114.554 -0.654 0.000 2.841 95 T HA 0.728 5.076 4.350 -0.003 0.000 0.283 95 T C -1.425 172.856 174.700 -0.697 0.000 1.000 95 T CA -0.506 61.242 62.100 -0.588 0.000 0.977 95 T CB 0.306 68.966 68.868 -0.348 0.000 0.979 95 T HN 0.431 nan 8.240 nan 0.000 0.446 96 F N 2.205 121.975 119.950 -0.299 0.000 2.561 96 F HA 0.580 5.105 4.527 -0.003 0.000 0.321 96 F C 0.172 175.849 175.800 -0.205 0.000 1.065 96 F CA -1.021 56.746 58.000 -0.388 0.000 0.934 96 F CB 2.111 40.527 39.000 -0.974 0.000 1.215 96 F HN 0.293 nan 8.300 nan 0.000 0.471 97 Q N 1.899 121.808 119.800 0.183 0.000 2.401 97 Q HA 0.157 4.495 4.340 -0.003 0.000 0.260 97 Q C -1.208 174.993 176.000 0.334 0.000 1.034 97 Q CA -0.362 55.575 55.803 0.223 0.000 0.737 97 Q CB 2.052 30.929 28.738 0.231 0.000 1.227 97 Q HN 0.627 nan 8.270 nan 0.000 0.488 98 D N 1.702 122.270 120.400 0.280 0.000 2.317 98 D HA 0.107 4.745 4.640 -0.003 0.000 0.252 98 D C 0.544 176.888 176.300 0.073 0.000 1.174 98 D CA 0.247 54.387 54.000 0.233 0.000 0.866 98 D CB 1.165 42.044 40.800 0.132 0.000 1.127 98 D HN 0.550 nan 8.370 nan 0.000 0.467 99 T N 0.969 115.591 114.554 0.112 0.000 2.954 99 T HA -0.047 4.301 4.350 -0.003 0.000 0.252 99 T C 1.848 176.603 174.700 0.091 0.000 0.983 99 T CA -0.273 61.914 62.100 0.144 0.000 0.941 99 T CB -0.068 68.854 68.868 0.090 0.000 1.141 99 T HN 0.254 nan 8.240 nan 0.000 0.500 100 L N 3.270 124.495 121.223 0.003 0.000 2.261 100 L HA -0.063 4.275 4.340 -0.003 0.000 0.216 100 L C 2.332 179.012 176.870 -0.316 0.000 1.114 100 L CA 1.746 56.533 54.840 -0.088 0.000 0.777 100 L CB -0.858 41.170 42.059 -0.051 0.000 0.910 100 L HN 0.595 nan 8.230 nan 0.000 0.440 101 H N -3.006 115.575 119.070 -0.815 0.000 2.568 101 H HA -0.089 4.465 4.556 -0.003 0.000 0.281 101 H C 1.370 176.273 175.328 -0.710 0.000 1.028 101 H CA 1.262 56.571 56.048 -1.232 0.000 1.199 101 H CB -0.828 28.276 29.762 -1.095 0.000 1.352 101 H HN 0.520 nan 8.280 nan 0.000 0.605 102 H N 1.331 120.052 119.070 -0.581 0.000 2.448 102 H HA 0.120 4.674 4.556 -0.003 0.000 0.292 102 H C 1.409 176.582 175.328 -0.258 0.000 1.035 102 H CA 0.513 56.294 56.048 -0.445 0.000 1.349 102 H CB 0.415 29.958 29.762 -0.365 0.000 1.425 102 H HN 0.386 nan 8.280 nan 0.000 0.539 103 K N 1.017 121.354 120.400 -0.106 0.000 2.525 103 K HA 0.191 4.509 4.320 -0.003 0.000 0.192 103 K C 0.828 177.391 176.600 -0.062 0.000 1.029 103 K CA -0.100 56.152 56.287 -0.059 0.000 1.029 103 K CB 0.431 32.912 32.500 -0.032 0.000 0.814 103 K HN 0.067 nan 8.250 nan 0.000 0.503 104 A N 1.869 124.614 122.820 -0.124 0.000 2.366 104 A HA 0.140 4.458 4.320 -0.003 0.000 0.249 104 A C -0.371 177.185 177.584 -0.046 0.000 1.084 104 A CA -0.249 51.746 52.037 -0.070 0.000 0.794 104 A CB 0.282 19.214 19.000 -0.113 0.000 1.034 104 A HN 0.146 nan 8.150 nan 0.000 0.491 105 K N 1.317 121.698 120.400 -0.031 0.000 2.262 105 K HA 0.347 4.665 4.320 -0.003 0.000 0.282 105 K C 0.531 177.117 176.600 -0.022 0.000 1.066 105 K CA 0.178 56.448 56.287 -0.027 0.000 0.901 105 K CB 1.135 33.617 32.500 -0.030 0.000 1.089 105 K HN 0.716 nan 8.250 nan 0.000 0.476 106 G N 3.986 112.776 108.800 -0.017 0.000 2.924 106 G HA2 0.122 4.080 3.960 -0.003 0.000 0.273 106 G HA3 0.122 4.080 3.960 -0.003 0.000 0.273 106 G C 0.704 175.603 174.900 -0.001 0.000 0.734 106 G CA -0.188 44.907 45.100 -0.008 0.000 2.065 106 G HN 0.818 nan 8.290 nan 0.000 0.580 107 I N -1.371 119.200 120.570 0.001 0.000 4.154 107 I HA 0.396 4.564 4.170 -0.003 0.000 0.334 107 I C 0.453 176.582 176.117 0.022 0.000 1.371 107 I CA -0.483 60.822 61.300 0.008 0.000 1.110 107 I CB 0.123 38.127 38.000 0.007 0.000 1.085 107 I HN -0.009 nan 8.210 nan 0.000 0.398 108 L N 2.349 123.588 121.223 0.026 0.000 2.461 108 L HA 0.125 4.463 4.340 -0.003 0.000 0.272 108 L C 1.748 178.641 176.870 0.037 0.000 1.197 108 L CA 0.239 55.102 54.840 0.039 0.000 0.836 108 L CB 0.992 43.080 42.059 0.049 0.000 1.105 108 L HN 0.327 nan 8.230 nan 0.000 0.477 109 T N -2.984 111.596 114.554 0.043 0.000 3.081 109 T HA 0.017 4.365 4.350 -0.003 0.000 0.255 109 T C 0.700 175.423 174.700 0.037 0.000 1.113 109 T CA -0.299 61.824 62.100 0.038 0.000 1.082 109 T CB -0.368 68.525 68.868 0.042 0.000 0.939 109 T HN 0.494 nan 8.240 nan 0.000 0.506 110 C N 3.632 122.957 119.300 0.042 0.000 2.638 110 C HA 0.462 4.920 4.460 -0.003 0.000 0.410 110 C C 0.906 175.916 174.990 0.034 0.000 1.404 110 C CA -0.723 58.319 59.018 0.040 0.000 1.651 110 C CB -1.018 26.750 27.740 0.046 0.000 2.495 110 C HN 0.433 nan 8.230 nan 0.000 0.606 111 R N 1.943 122.461 120.500 0.029 0.000 2.943 111 R HA 0.364 4.702 4.340 -0.003 0.000 0.246 111 R C 1.358 177.672 176.300 0.023 0.000 1.201 111 R CA -0.463 55.652 56.100 0.025 0.000 1.056 111 R CB 0.601 30.914 30.300 0.021 0.000 1.243 111 R HN 0.728 nan 8.270 nan 0.000 0.498 112 S N -0.074 115.638 115.700 0.021 0.000 2.447 112 S HA -0.065 4.403 4.470 -0.003 0.000 0.233 112 S C 1.088 175.698 174.600 0.016 0.000 1.006 112 S CA 0.925 59.137 58.200 0.019 0.000 0.957 112 S CB 0.028 63.238 63.200 0.018 0.000 0.773 112 S HN 0.441 nan 8.310 nan 0.000 0.507 113 K N 1.218 121.628 120.400 0.016 0.000 2.314 113 K HA 0.146 4.465 4.320 -0.003 0.000 0.198 113 K C 0.174 176.783 176.600 0.015 0.000 1.045 113 K CA 0.715 57.010 56.287 0.014 0.000 0.988 113 K CB 0.244 32.752 32.500 0.013 0.000 0.783 113 K HN 0.590 nan 8.250 nan 0.000 0.484 114 S N -0.654 115.056 115.700 0.017 0.000 2.543 114 S HA 0.211 4.679 4.470 -0.003 0.000 0.273 114 S C -1.025 173.589 174.600 0.023 0.000 1.152 114 S CA -1.227 56.984 58.200 0.019 0.000 0.910 114 S CB 1.313 64.525 63.200 0.020 0.000 1.105 114 S HN 0.166 nan 8.310 nan 0.000 0.465 115 C N 4.781 124.094 119.300 0.022 0.000 2.273 115 C HA 0.677 5.135 4.460 -0.003 0.000 0.328 115 C C 0.240 175.251 174.990 0.035 0.000 1.275 115 C CA -0.788 58.247 59.018 0.028 0.000 1.704 115 C CB -1.271 26.481 27.740 0.020 0.000 2.326 115 C HN 0.869 nan 8.230 nan 0.000 0.517 116 L N 6.158 127.407 121.223 0.045 0.000 3.100 116 L HA 0.354 4.692 4.340 -0.003 0.000 0.259 116 L C 1.625 178.538 176.870 0.071 0.000 1.316 116 L CA -0.056 54.817 54.840 0.054 0.000 0.992 116 L CB -0.328 41.763 42.059 0.053 0.000 1.390 116 L HN 0.916 nan 8.230 nan 0.000 0.550 117 G N 0.515 109.359 108.800 0.074 0.000 2.534 117 G HA2 -0.197 3.761 3.960 -0.003 0.000 0.217 117 G HA3 -0.197 3.761 3.960 -0.003 0.000 0.217 117 G C 1.422 176.403 174.900 0.134 0.000 1.128 117 G CA 0.962 46.120 45.100 0.097 0.000 0.784 117 G HN 0.548 nan 8.290 nan 0.000 0.542 118 S N 0.041 115.814 115.700 0.122 0.000 2.631 118 S HA 0.294 4.762 4.470 -0.003 0.000 0.217 118 S C 0.721 175.412 174.600 0.151 0.000 0.958 118 S CA -0.493 57.796 58.200 0.147 0.000 0.920 118 S CB 0.005 63.273 63.200 0.112 0.000 0.776 118 S HN 0.025 nan 8.310 nan 0.000 0.517 119 I N 2.624 123.275 120.570 0.135 0.000 2.452 119 I HA 0.158 4.326 4.170 -0.003 0.000 0.287 119 I C 1.458 177.678 176.117 0.171 0.000 1.079 119 I CA -0.035 61.340 61.300 0.125 0.000 1.387 119 I CB 0.276 38.333 38.000 0.096 0.000 1.404 119 I HN 0.354 nan 8.210 nan 0.000 0.522 120 M N 4.877 124.589 119.600 0.186 0.000 2.059 120 M HA -0.130 4.348 4.480 -0.003 0.000 0.259 120 M C 0.535 176.944 176.300 0.182 0.000 1.072 120 M CA 1.874 57.333 55.300 0.266 0.000 1.117 120 M CB 0.179 32.916 32.600 0.229 0.000 1.320 120 M HN 0.580 nan 8.290 nan 0.000 0.408 121 T N 2.697 117.289 114.554 0.063 0.000 3.331 121 T HA 0.394 4.742 4.350 -0.003 0.000 0.381 121 T C -2.374 172.350 174.700 0.041 0.000 1.656 121 T CA -1.188 60.884 62.100 -0.046 0.000 1.453 121 T CB 0.382 69.097 68.868 -0.256 0.000 1.066 121 T HN 0.345 nan 8.240 nan 0.000 0.655 122 P HA 0.315 nan 4.420 nan 0.000 0.274 122 P C 0.723 178.092 177.300 0.115 0.000 1.237 122 P CA -0.468 62.694 63.100 0.103 0.000 0.793 122 P CB 1.477 33.243 31.700 0.110 0.000 0.977 123 K N 1.397 121.845 120.400 0.080 0.000 2.209 123 K HA -0.114 4.204 4.320 -0.003 0.000 0.204 123 K C 1.997 178.652 176.600 0.091 0.000 1.048 123 K CA 1.802 58.132 56.287 0.071 0.000 0.940 123 K CB -0.801 31.723 32.500 0.040 0.000 0.729 123 K HN 0.528 nan 8.250 nan 0.000 0.451 124 S N -0.016 115.742 115.700 0.096 0.000 2.382 124 S HA -0.128 4.340 4.470 -0.003 0.000 0.228 124 S C 1.552 176.254 174.600 0.171 0.000 1.027 124 S CA 1.104 59.364 58.200 0.099 0.000 0.991 124 S CB -0.402 62.844 63.200 0.077 0.000 0.823 124 S HN 0.305 nan 8.310 nan 0.000 0.469 125 L N 1.625 122.987 121.223 0.233 0.000 2.653 125 L HA 0.271 4.609 4.340 -0.003 0.000 0.231 125 L C -0.111 177.041 176.870 0.471 0.000 1.153 125 L CA -0.115 54.937 54.840 0.354 0.000 0.933 125 L CB -0.317 41.895 42.059 0.255 0.000 1.175 125 L HN 0.220 nan 8.230 nan 0.000 0.473 126 T N 0.079 114.832 114.554 0.331 0.000 2.859 126 T HA 0.435 4.783 4.350 -0.003 0.000 0.281 126 T C 0.068 174.820 174.700 0.087 0.000 1.005 126 T CA -0.606 61.649 62.100 0.258 0.000 1.025 126 T CB 2.159 71.124 68.868 0.162 0.000 0.977 126 T HN -0.066 nan 8.240 nan 0.000 0.458 127 R N 1.889 122.417 120.500 0.046 0.000 2.312 127 R HA 0.430 4.769 4.340 -0.003 0.000 0.310 127 R C 0.566 176.841 176.300 -0.043 0.000 1.064 127 R CA -0.504 55.535 56.100 -0.101 0.000 0.983 127 R CB 0.929 31.126 30.300 -0.172 0.000 1.139 127 R HN 0.921 nan 8.270 nan 0.000 0.536 128 G N 3.798 112.567 108.800 -0.051 0.000 2.664 128 G HA2 0.178 4.136 3.960 -0.003 0.000 0.242 128 G HA3 0.178 4.136 3.960 -0.003 0.000 0.242 128 G C -1.930 172.942 174.900 -0.046 0.000 1.225 128 G CA -0.497 44.577 45.100 -0.045 0.000 0.849 128 G HN 0.316 nan 8.290 nan 0.000 0.581 129 P HA 0.323 nan 4.420 nan 0.000 0.276 129 P C -0.540 176.740 177.300 -0.034 0.000 1.244 129 P CA -0.370 62.706 63.100 -0.039 0.000 0.801 129 P CB 1.283 32.955 31.700 -0.047 0.000 1.006 130 R N 0.270 120.755 120.500 -0.025 0.000 2.912 130 R HA 0.529 4.867 4.340 -0.003 0.000 0.262 130 R C -0.396 175.895 176.300 -0.015 0.000 1.057 130 R CA -0.749 55.338 56.100 -0.021 0.000 0.981 130 R CB 0.535 30.822 30.300 -0.021 0.000 1.201 130 R HN 0.242 nan 8.270 nan 0.000 0.484 131 D N -0.592 119.801 120.400 -0.011 0.000 2.469 131 D HA 0.116 4.754 4.640 -0.003 0.000 0.213 131 D C -0.537 175.766 176.300 0.004 0.000 1.135 131 D CA -0.241 53.755 54.000 -0.008 0.000 0.834 131 D CB 0.255 41.048 40.800 -0.011 0.000 1.009 131 D HN 0.600 nan 8.370 nan 0.000 0.507 132 K N -0.680 119.724 120.400 0.006 0.000 2.578 132 K HA 0.452 4.770 4.320 -0.003 0.000 0.269 132 K C -3.263 173.342 176.600 0.009 0.000 0.941 132 K CA -1.607 54.689 56.287 0.014 0.000 0.847 132 K CB 1.767 34.273 32.500 0.010 0.000 1.397 132 K HN -0.300 nan 8.250 nan 0.000 0.422 133 P HA -0.074 nan 4.420 nan 0.000 0.268 133 P C -0.247 177.054 177.300 0.001 0.000 1.208 133 P CA 0.106 63.208 63.100 0.004 0.000 0.777 133 P CB 0.216 31.921 31.700 0.008 0.000 0.875 134 T N -0.059 114.493 114.554 -0.004 0.000 2.867 134 T HA 0.166 4.514 4.350 -0.003 0.000 0.297 134 T C -2.285 172.422 174.700 0.011 0.000 0.989 134 T CA -1.420 60.680 62.100 0.000 0.000 1.159 134 T CB -1.074 67.794 68.868 0.000 0.000 0.928 134 T HN 0.243 nan 8.240 nan 0.000 0.538 135 P HA 0.148 nan 4.420 nan 0.000 0.262 135 P C -1.791 175.521 177.300 0.020 0.000 1.199 135 P CA -1.248 61.860 63.100 0.013 0.000 0.763 135 P CB 0.094 31.799 31.700 0.008 0.000 0.790 136 P HA -0.230 nan 4.420 nan 0.000 0.219 136 P C 0.675 177.990 177.300 0.025 0.000 1.145 136 P CA 1.411 64.530 63.100 0.031 0.000 0.813 136 P CB 0.046 31.763 31.700 0.028 0.000 0.771 137 D N -0.700 119.711 120.400 0.018 0.000 2.123 137 D HA -0.143 4.495 4.640 -0.003 0.000 0.200 137 D C 1.890 178.199 176.300 0.016 0.000 0.976 137 D CA 1.171 55.180 54.000 0.014 0.000 0.831 137 D CB -0.451 40.354 40.800 0.010 0.000 0.974 137 D HN 0.487 nan 8.370 nan 0.000 0.469 138 E N -0.059 120.151 120.200 0.018 0.000 2.400 138 E HA -0.010 4.338 4.350 -0.003 0.000 0.195 138 E C 1.920 178.540 176.600 0.032 0.000 1.012 138 E CA 0.043 56.454 56.400 0.019 0.000 0.875 138 E CB -0.120 29.587 29.700 0.011 0.000 0.859 138 E HN 0.129 nan 8.360 nan 0.000 0.498 139 L N 1.119 122.366 121.223 0.041 0.000 2.095 139 L HA -0.009 4.329 4.340 -0.003 0.000 0.204 139 L C 2.115 179.025 176.870 0.067 0.000 1.080 139 L CA 1.076 55.958 54.840 0.070 0.000 0.759 139 L CB -0.393 41.719 42.059 0.087 0.000 0.914 139 L HN 0.264 nan 8.230 nan 0.000 0.439 140 L N 1.261 122.507 121.223 0.038 0.000 1.971 140 L HA -0.133 4.205 4.340 -0.003 0.000 0.215 140 L C -0.338 176.539 176.870 0.010 0.000 1.072 140 L CA 2.635 57.479 54.840 0.008 0.000 0.758 140 L CB -2.252 39.808 42.059 0.003 0.000 0.889 140 L HN 0.275 nan 8.230 nan 0.000 0.433 141 P HA -0.199 nan 4.420 nan 0.000 0.218 141 P C 1.503 178.836 177.300 0.055 0.000 1.148 141 P CA 1.480 64.598 63.100 0.031 0.000 0.822 141 P CB -0.088 31.628 31.700 0.026 0.000 0.784 142 Q N -0.297 119.545 119.800 0.070 0.000 2.083 142 Q HA -0.054 4.284 4.340 -0.003 0.000 0.198 142 Q C 2.461 178.555 176.000 0.157 0.000 0.969 142 Q CA 1.500 57.368 55.803 0.110 0.000 0.838 142 Q CB -0.575 28.227 28.738 0.106 0.000 0.900 142 Q HN 0.195 nan 8.270 nan 0.000 0.436 143 A N 1.139 124.025 122.820 0.111 0.000 1.902 143 A HA -0.185 4.133 4.320 -0.003 0.000 0.217 143 A C 2.037 179.664 177.584 0.071 0.000 1.181 143 A CA 1.229 53.291 52.037 0.043 0.000 0.623 143 A CB -0.657 18.146 19.000 -0.329 0.000 0.818 143 A HN 0.295 nan 8.150 nan 0.000 0.443 144 I N -0.808 119.785 120.570 0.039 0.000 2.202 144 I HA -0.246 3.922 4.170 -0.003 0.000 0.242 144 I C 2.528 178.717 176.117 0.120 0.000 1.091 144 I CA 1.723 63.062 61.300 0.066 0.000 1.368 144 I CB -0.479 37.546 38.000 0.042 0.000 1.058 144 I HN 0.499 nan 8.210 nan 0.000 0.410 145 E N 0.972 121.249 120.200 0.127 0.000 2.130 145 E HA -0.294 4.054 4.350 -0.003 0.000 0.196 145 E C 2.127 178.836 176.600 0.181 0.000 0.998 145 E CA 1.585 58.067 56.400 0.135 0.000 0.806 145 E CB -0.118 29.659 29.700 0.128 0.000 0.738 145 E HN 0.454 nan 8.360 nan 0.000 0.459 146 F N 0.417 120.438 119.950 0.119 0.000 2.128 146 F HA -0.131 4.394 4.527 -0.003 0.000 0.295 146 F C 1.969 177.870 175.800 0.168 0.000 1.100 146 F CA 1.105 59.203 58.000 0.163 0.000 1.260 146 F CB -0.466 38.652 39.000 0.196 0.000 1.009 146 F HN -0.134 nan 8.300 nan 0.000 0.476 147 V N 1.400 121.306 119.914 -0.012 0.000 2.392 147 V HA -0.356 3.762 4.120 -0.003 0.000 0.249 147 V C 2.178 178.238 176.094 -0.056 0.000 1.059 147 V CA 2.327 64.608 62.300 -0.032 0.000 1.051 147 V CB -1.037 30.887 31.823 0.167 0.000 0.658 147 V HN 0.449 nan 8.190 nan 0.000 0.455 148 N N -0.304 118.396 118.700 0.000 0.000 2.120 148 N HA -0.247 4.491 4.740 -0.003 0.000 0.188 148 N C 2.009 177.455 175.510 -0.106 0.000 1.024 148 N CA 1.470 54.521 53.050 0.002 0.000 0.852 148 N CB -0.101 38.453 38.487 0.111 0.000 1.003 148 N HN 0.587 nan 8.380 nan 0.000 0.424 149 Q N 0.168 119.899 119.800 -0.115 0.000 2.084 149 Q HA -0.208 4.130 4.340 -0.003 0.000 0.202 149 Q C 1.988 177.767 176.000 -0.369 0.000 0.978 149 Q CA 1.247 56.980 55.803 -0.117 0.000 0.844 149 Q CB -0.103 28.657 28.738 0.037 0.000 0.898 149 Q HN 0.406 nan 8.270 nan 0.000 0.426 150 Y N -0.037 119.778 120.300 -0.809 0.000 2.089 150 Y HA -0.287 4.261 4.550 -0.004 0.000 0.282 150 Y C 1.604 176.896 175.900 -1.014 0.000 1.139 150 Y CA 1.937 59.222 58.100 -1.358 0.000 1.123 150 Y CB -0.775 36.928 38.460 -1.261 0.000 0.980 150 Y HN 0.162 nan 8.280 nan 0.000 0.493 151 Y N 0.097 119.996 120.300 -0.668 0.000 2.333 151 Y HA -0.037 4.512 4.550 -0.002 0.000 0.290 151 Y C 2.667 178.407 175.900 -0.267 0.000 1.144 151 Y CA 1.357 59.211 58.100 -0.410 0.000 1.228 151 Y CB -0.860 37.262 38.460 -0.563 0.000 0.985 151 Y HN 0.267 nan 8.280 nan 0.000 0.542 152 G N -1.335 107.333 108.800 -0.219 0.000 2.484 152 G HA2 -0.214 3.744 3.960 -0.003 0.000 0.218 152 G HA3 -0.214 3.744 3.960 -0.003 0.000 0.218 152 G C 1.815 176.596 174.900 -0.198 0.000 1.130 152 G CA 0.950 45.977 45.100 -0.122 0.000 0.784 152 G HN 0.457 nan 8.290 nan 0.000 0.543 153 S N 0.052 115.478 115.700 -0.457 0.000 2.447 153 S HA 0.146 4.614 4.470 -0.003 0.000 0.233 153 S C 0.658 174.983 174.600 -0.458 0.000 1.006 153 S CA -0.257 57.667 58.200 -0.462 0.000 0.957 153 S CB -0.401 62.395 63.200 -0.673 0.000 0.773 153 S HN 0.041 nan 8.310 nan 0.000 0.507 154 F N 3.547 123.337 119.950 -0.266 0.000 2.495 154 F HA 0.329 4.855 4.527 -0.002 0.000 0.365 154 F C 1.758 177.498 175.800 -0.100 0.000 1.090 154 F CA -0.964 56.922 58.000 -0.190 0.000 1.235 154 F CB 0.675 39.544 39.000 -0.218 0.000 1.119 154 F HN 0.077 nan 8.300 nan 0.000 0.562 155 K N 2.136 122.604 120.400 0.112 0.000 2.209 155 K HA -0.101 4.217 4.320 -0.003 0.000 0.204 155 K C 0.301 176.939 176.600 0.064 0.000 1.048 155 K CA 1.096 57.421 56.287 0.063 0.000 0.940 155 K CB -0.319 32.210 32.500 0.049 0.000 0.729 155 K HN 0.675 nan 8.250 nan 0.000 0.451 156 E N 0.639 120.891 120.200 0.087 0.000 4.517 156 E HA 0.422 4.770 4.350 -0.003 0.000 0.408 156 E C -0.581 176.045 176.600 0.043 0.000 1.456 156 E CA -0.252 56.171 56.400 0.038 0.000 2.449 156 E CB 0.453 30.146 29.700 -0.012 0.000 1.556 156 E HN 0.289 nan 8.360 nan 0.000 0.781 157 A N 0.352 123.177 122.820 0.008 0.000 2.466 157 A HA 0.290 4.608 4.320 -0.003 0.000 0.284 157 A C -0.649 176.921 177.584 -0.023 0.000 1.049 157 A CA -0.599 51.447 52.037 0.016 0.000 0.760 157 A CB 0.885 19.891 19.000 0.009 0.000 1.274 157 A HN 0.415 nan 8.150 nan 0.000 0.412 158 K N 3.329 123.716 120.400 -0.021 0.000 2.514 158 K HA 0.175 4.493 4.320 -0.003 0.000 0.207 158 K C 1.007 177.564 176.600 -0.072 0.000 1.035 158 K CA -0.441 55.804 56.287 -0.070 0.000 1.113 158 K CB 0.108 32.542 32.500 -0.110 0.000 0.846 158 K HN 0.750 nan 8.250 nan 0.000 0.491 159 I N 1.635 122.183 120.570 -0.038 0.000 2.705 159 I HA -0.493 3.675 4.170 -0.003 0.000 0.229 159 I C 1.907 177.960 176.117 -0.108 0.000 0.887 159 I CA 2.059 63.321 61.300 -0.062 0.000 1.226 159 I CB -1.248 36.717 38.000 -0.059 0.000 0.945 159 I HN 0.423 nan 8.210 nan 0.000 0.391 160 E N 0.352 120.494 120.200 -0.097 0.000 2.006 160 E HA -0.197 4.151 4.350 -0.003 0.000 0.192 160 E C 2.094 178.617 176.600 -0.128 0.000 0.993 160 E CA 1.171 57.512 56.400 -0.099 0.000 0.808 160 E CB -0.251 29.407 29.700 -0.071 0.000 0.764 160 E HN 0.581 nan 8.360 nan 0.000 0.449 161 E N 0.103 120.219 120.200 -0.140 0.000 2.114 161 E HA -0.273 4.075 4.350 -0.003 0.000 0.199 161 E C 2.088 178.438 176.600 -0.417 0.000 1.008 161 E CA 1.367 57.663 56.400 -0.172 0.000 0.810 161 E CB -0.291 29.365 29.700 -0.074 0.000 0.739 161 E HN 0.389 nan 8.360 nan 0.000 0.456 162 H N 0.033 118.620 119.070 -0.806 0.000 2.265 162 H HA -0.188 4.366 4.556 -0.003 0.000 0.295 162 H C 2.383 177.442 175.328 -0.449 0.000 1.084 162 H CA 1.429 56.874 56.048 -1.005 0.000 1.261 162 H CB -0.003 29.392 29.762 -0.613 0.000 1.360 162 H HN 0.109 nan 8.280 nan 0.000 0.487 163 L N 0.990 122.093 121.223 -0.201 0.000 2.012 163 L HA -0.119 4.219 4.340 -0.003 0.000 0.210 163 L C 2.618 179.432 176.870 -0.093 0.000 1.073 163 L CA 1.968 56.703 54.840 -0.175 0.000 0.748 163 L CB -1.085 40.871 42.059 -0.171 0.000 0.891 163 L HN 0.428 nan 8.230 nan 0.000 0.431 164 A N -0.512 122.257 122.820 -0.086 0.000 1.908 164 A HA -0.283 4.035 4.320 -0.003 0.000 0.218 164 A C 2.445 180.027 177.584 -0.004 0.000 1.181 164 A CA 2.022 54.035 52.037 -0.040 0.000 0.627 164 A CB -0.614 18.367 19.000 -0.032 0.000 0.818 164 A HN 0.494 nan 8.150 nan 0.000 0.445 165 R N -0.433 120.070 120.500 0.004 0.000 2.057 165 R HA -0.038 4.300 4.340 -0.003 0.000 0.229 165 R C 2.008 178.355 176.300 0.079 0.000 1.136 165 R CA 1.819 57.972 56.100 0.089 0.000 0.952 165 R CB -1.278 29.148 30.300 0.211 0.000 0.848 165 R HN 0.276 nan 8.270 nan 0.000 0.430 166 V N 0.960 120.919 119.914 0.074 0.000 2.469 166 V HA -0.231 3.887 4.120 -0.003 0.000 0.251 166 V C 2.027 178.124 176.094 0.006 0.000 1.064 166 V CA 2.515 64.848 62.300 0.056 0.000 1.066 166 V CB -0.343 31.521 31.823 0.068 0.000 0.667 166 V HN 0.577 nan 8.190 nan 0.000 0.461 167 E N -0.454 119.744 120.200 -0.003 0.000 2.046 167 E HA -0.109 4.239 4.350 -0.003 0.000 0.190 167 E C 2.260 178.861 176.600 0.002 0.000 0.982 167 E CA 1.096 57.490 56.400 -0.010 0.000 0.800 167 E CB -0.320 29.369 29.700 -0.018 0.000 0.756 167 E HN 0.673 nan 8.360 nan 0.000 0.449 168 A N 0.578 123.408 122.820 0.018 0.000 1.908 168 A HA -0.169 4.149 4.320 -0.003 0.000 0.218 168 A C 2.381 179.985 177.584 0.033 0.000 1.181 168 A CA 1.596 53.653 52.037 0.033 0.000 0.627 168 A CB -0.725 18.308 19.000 0.055 0.000 0.818 168 A HN 0.230 nan 8.150 nan 0.000 0.445 169 V N -0.422 119.501 119.914 0.015 0.000 2.307 169 V HA -0.211 3.907 4.120 -0.003 0.000 0.245 169 V C 2.730 178.786 176.094 -0.064 0.000 1.045 169 V CA 2.407 64.680 62.300 -0.046 0.000 1.024 169 V CB -1.314 30.403 31.823 -0.177 0.000 0.651 169 V HN 0.609 nan 8.190 nan 0.000 0.449 170 T N 0.044 114.568 114.554 -0.051 0.000 2.699 170 T HA -0.276 4.072 4.350 -0.003 0.000 0.268 170 T C 1.944 176.639 174.700 -0.009 0.000 1.036 170 T CA 1.972 64.051 62.100 -0.036 0.000 1.147 170 T CB -0.257 68.596 68.868 -0.025 0.000 0.862 170 T HN 0.498 nan 8.240 nan 0.000 0.446 171 K N 1.261 121.663 120.400 0.003 0.000 2.002 171 K HA -0.191 4.127 4.320 -0.003 0.000 0.209 171 K C 2.286 178.902 176.600 0.028 0.000 1.048 171 K CA 1.889 58.184 56.287 0.015 0.000 0.930 171 K CB -0.295 32.215 32.500 0.017 0.000 0.714 171 K HN 0.402 nan 8.250 nan 0.000 0.438 172 E N 0.425 120.651 120.200 0.043 0.000 2.097 172 E HA -0.186 4.162 4.350 -0.003 0.000 0.196 172 E C 2.104 178.751 176.600 0.079 0.000 1.000 172 E CA 1.546 57.989 56.400 0.072 0.000 0.804 172 E CB -0.081 29.689 29.700 0.116 0.000 0.740 172 E HN 0.439 nan 8.360 nan 0.000 0.454 173 I N 0.583 121.194 120.570 0.068 0.000 2.353 173 I HA -0.201 3.967 4.170 -0.003 0.000 0.248 173 I C 1.997 178.141 176.117 0.046 0.000 1.119 173 I CA 1.074 62.417 61.300 0.072 0.000 1.417 173 I CB -0.199 37.828 38.000 0.045 0.000 1.078 173 I HN 0.101 nan 8.210 nan 0.000 0.421 174 E N 0.070 120.288 120.200 0.029 0.000 2.358 174 E HA -0.118 4.230 4.350 -0.003 0.000 0.195 174 E C 1.875 178.489 176.600 0.023 0.000 1.010 174 E CA 1.509 57.922 56.400 0.022 0.000 0.856 174 E CB 0.097 29.805 29.700 0.013 0.000 0.795 174 E HN 0.583 nan 8.360 nan 0.000 0.504 175 T N -3.051 111.520 114.554 0.028 0.000 2.990 175 T HA 0.012 4.360 4.350 -0.003 0.000 0.250 175 T C 1.799 176.516 174.700 0.028 0.000 1.041 175 T CA 0.763 62.879 62.100 0.025 0.000 1.010 175 T CB 0.385 69.268 68.868 0.024 0.000 1.003 175 T HN 0.110 nan 8.240 nan 0.000 0.499 176 T N -3.000 111.576 114.554 0.036 0.000 2.986 176 T HA 0.502 4.850 4.350 -0.003 0.000 0.264 176 T C 1.842 176.563 174.700 0.035 0.000 0.964 176 T CA 0.753 62.873 62.100 0.034 0.000 0.895 176 T CB 0.023 68.915 68.868 0.039 0.000 1.163 176 T HN 0.981 nan 8.240 nan 0.000 0.517 177 G N 0.339 109.165 108.800 0.044 0.000 2.159 177 G HA2 -0.165 3.793 3.960 -0.003 0.000 0.256 177 G HA3 -0.165 3.793 3.960 -0.003 0.000 0.256 177 G C 0.180 175.117 174.900 0.061 0.000 0.977 177 G CA 0.672 45.798 45.100 0.044 0.000 0.652 177 G HN 1.094 nan 8.290 nan 0.000 0.531 178 T N -1.620 112.987 114.554 0.089 0.000 2.653 178 T HA 0.658 5.006 4.350 -0.003 0.000 0.306 178 T C -1.690 173.144 174.700 0.224 0.000 1.426 178 T CA 0.463 62.638 62.100 0.125 0.000 1.008 178 T CB 1.196 70.073 68.868 0.014 0.000 1.692 178 T HN 1.685 nan 8.240 nan 0.000 0.483 179 Y N -0.369 119.933 120.300 0.003 0.000 2.656 179 Y HA 0.810 5.358 4.550 -0.003 0.000 0.334 179 Y C -1.523 174.389 175.900 0.021 0.000 1.179 179 Y CA -1.170 56.943 58.100 0.022 0.000 1.050 179 Y CB 0.870 39.357 38.460 0.046 0.000 1.308 179 Y HN 0.424 nan 8.280 nan 0.000 0.456 180 Q N 2.349 122.164 119.800 0.026 0.000 2.274 180 Q HA 0.540 4.878 4.340 -0.003 0.000 0.260 180 Q C -0.878 175.154 176.000 0.055 0.000 0.974 180 Q CA -0.823 54.947 55.803 -0.055 0.000 0.876 180 Q CB 2.800 31.548 28.738 0.018 0.000 1.297 180 Q HN 0.850 nan 8.270 nan 0.000 0.446 181 L N 1.258 122.482 121.223 0.003 0.000 2.375 181 L HA 0.369 4.707 4.340 -0.003 0.000 0.271 181 L C 1.117 178.026 176.870 0.066 0.000 1.107 181 L CA -0.593 54.300 54.840 0.089 0.000 0.806 181 L CB 0.887 42.966 42.059 0.034 0.000 1.146 181 L HN 0.697 nan 8.230 nan 0.000 0.447 182 T N -1.217 113.372 114.554 0.058 0.000 2.788 182 T HA 0.177 4.525 4.350 -0.003 0.000 0.287 182 T C 1.326 176.024 174.700 -0.003 0.000 1.007 182 T CA -0.137 61.981 62.100 0.030 0.000 1.005 182 T CB 1.351 70.236 68.868 0.028 0.000 1.012 182 T HN 0.702 nan 8.240 nan 0.000 0.530 183 G N 0.026 108.829 108.800 0.005 0.000 2.440 183 G HA2 -0.220 3.738 3.960 -0.003 0.000 0.218 183 G HA3 -0.220 3.738 3.960 -0.003 0.000 0.218 183 G C 1.175 176.070 174.900 -0.008 0.000 1.154 183 G CA 1.061 46.157 45.100 -0.007 0.000 0.767 183 G HN 0.894 nan 8.290 nan 0.000 0.552 184 D N -0.144 120.263 120.400 0.012 0.000 2.183 184 D HA -0.013 4.625 4.640 -0.003 0.000 0.203 184 D C 2.437 178.731 176.300 -0.010 0.000 0.969 184 D CA 0.857 54.892 54.000 0.058 0.000 0.842 184 D CB 0.044 40.945 40.800 0.169 0.000 0.957 184 D HN 0.462 nan 8.370 nan 0.000 0.484 185 E N -0.437 119.627 120.200 -0.226 0.000 2.106 185 E HA -0.146 4.202 4.350 -0.003 0.000 0.192 185 E C 1.910 178.559 176.600 0.080 0.000 0.984 185 E CA 0.338 56.551 56.400 -0.311 0.000 0.806 185 E CB 0.013 29.558 29.700 -0.258 0.000 0.750 185 E HN 0.248 nan 8.360 nan 0.000 0.458 186 L N 1.042 122.261 121.223 -0.006 0.000 2.017 186 L HA -0.152 4.186 4.340 -0.003 0.000 0.208 186 L C 2.002 178.845 176.870 -0.045 0.000 1.073 186 L CA 1.536 56.331 54.840 -0.074 0.000 0.745 186 L CB -0.179 41.804 42.059 -0.128 0.000 0.894 186 L HN 0.116 nan 8.230 nan 0.000 0.432 187 I N -1.234 119.337 120.570 0.003 0.000 2.226 187 I HA -0.309 3.859 4.170 -0.003 0.000 0.245 187 I C 2.375 178.548 176.117 0.093 0.000 1.100 187 I CA 1.628 62.938 61.300 0.017 0.000 1.374 187 I CB -0.464 37.549 38.000 0.022 0.000 1.057 187 I HN 0.341 nan 8.210 nan 0.000 0.413 188 F N 1.912 121.891 119.950 0.049 0.000 2.186 188 F HA -0.133 4.392 4.527 -0.003 0.000 0.299 188 F C 2.424 178.305 175.800 0.135 0.000 1.090 188 F CA 1.182 59.249 58.000 0.113 0.000 1.307 188 F CB -0.274 38.836 39.000 0.183 0.000 1.019 188 F HN -0.025 nan 8.300 nan 0.000 0.489 189 A N 0.425 123.290 122.820 0.076 0.000 1.858 189 A HA -0.209 4.109 4.320 -0.003 0.000 0.216 189 A C 2.321 179.783 177.584 -0.204 0.000 1.190 189 A CA 2.767 54.770 52.037 -0.056 0.000 0.617 189 A CB -1.686 17.270 19.000 -0.073 0.000 0.827 189 A HN 0.541 nan 8.150 nan 0.000 0.443 190 T N -1.380 113.086 114.554 -0.147 0.000 2.684 190 T HA -0.187 4.161 4.350 -0.003 0.000 0.267 190 T C 1.825 176.545 174.700 0.033 0.000 1.036 190 T CA 1.699 63.752 62.100 -0.078 0.000 1.148 190 T CB -0.396 68.447 68.868 -0.042 0.000 0.863 190 T HN 0.533 nan 8.240 nan 0.000 0.436 191 K N 0.589 121.014 120.400 0.040 0.000 2.057 191 K HA -0.078 4.240 4.320 -0.003 0.000 0.206 191 K C 2.671 179.363 176.600 0.154 0.000 1.050 191 K CA 1.436 57.837 56.287 0.190 0.000 0.935 191 K CB -0.228 32.364 32.500 0.154 0.000 0.715 191 K HN 0.275 nan 8.250 nan 0.000 0.439 192 Q N 0.782 120.481 119.800 -0.167 0.000 2.119 192 Q HA -0.049 4.289 4.340 -0.003 0.000 0.201 192 Q C 1.821 177.677 176.000 -0.240 0.000 0.972 192 Q CA 1.622 57.220 55.803 -0.342 0.000 0.847 192 Q CB -0.166 28.155 28.738 -0.694 0.000 0.903 192 Q HN 0.325 nan 8.270 nan 0.000 0.433 193 A N -0.636 122.042 122.820 -0.236 0.000 1.930 193 A HA -0.164 4.154 4.320 -0.003 0.000 0.217 193 A C 1.801 179.327 177.584 -0.097 0.000 1.175 193 A CA 1.339 53.158 52.037 -0.363 0.000 0.627 193 A CB -1.117 17.327 19.000 -0.927 0.000 0.815 193 A HN 0.700 nan 8.150 nan 0.000 0.443 194 W N 1.085 122.347 121.300 -0.063 0.000 2.378 194 W HA -0.126 4.532 4.660 -0.004 0.000 0.313 194 W C 2.265 178.698 176.519 -0.143 0.000 1.197 194 W CA 1.548 58.861 57.345 -0.053 0.000 1.304 194 W CB -0.775 28.646 29.460 -0.065 0.000 1.148 194 W HN 0.361 nan 8.180 nan 0.000 0.494 195 R N 0.434 120.875 120.500 -0.099 0.000 2.159 195 R HA -0.177 4.161 4.340 -0.003 0.000 0.237 195 R C 1.275 177.443 176.300 -0.220 0.000 1.131 195 R CA 1.721 57.584 56.100 -0.394 0.000 0.982 195 R CB -0.497 29.306 30.300 -0.828 0.000 0.868 195 R HN 0.113 nan 8.270 nan 0.000 0.453 196 N N 0.013 118.623 118.700 -0.149 0.000 2.280 196 N HA 0.050 4.788 4.740 -0.003 0.000 0.192 196 N C -0.632 174.828 175.510 -0.084 0.000 1.109 196 N CA 0.415 53.414 53.050 -0.085 0.000 0.855 196 N CB 1.004 39.481 38.487 -0.017 0.000 0.974 196 N HN 0.131 nan 8.380 nan 0.000 0.482 197 A N 2.624 125.373 122.820 -0.118 0.000 2.457 197 A HA 0.228 4.546 4.320 -0.003 0.000 0.298 197 A C -1.040 176.484 177.584 -0.100 0.000 1.288 197 A CA -1.071 50.839 52.037 -0.211 0.000 0.956 197 A CB 0.404 19.320 19.000 -0.141 0.000 1.135 197 A HN -0.003 nan 8.150 nan 0.000 0.535 198 P HA -0.145 nan 4.420 nan 0.000 0.225 198 P C 0.808 178.083 177.300 -0.042 0.000 1.148 198 P CA 1.018 64.091 63.100 -0.045 0.000 0.779 198 P CB 0.213 31.877 31.700 -0.059 0.000 0.780 199 R N -1.653 118.781 120.500 -0.111 0.000 2.334 199 R HA 0.155 4.493 4.340 -0.003 0.000 0.216 199 R C 0.658 176.972 176.300 0.023 0.000 0.905 199 R CA -0.190 55.879 56.100 -0.052 0.000 1.064 199 R CB -0.209 29.911 30.300 -0.300 0.000 1.046 199 R HN 0.151 nan 8.270 nan 0.000 0.508 200 C N 0.721 120.009 119.300 -0.021 0.000 2.369 200 C HA 0.326 4.784 4.460 -0.003 0.000 0.358 200 C C 1.673 176.626 174.990 -0.062 0.000 1.274 200 C CA -0.652 58.371 59.018 0.009 0.000 1.935 200 C CB -0.188 27.603 27.740 0.085 0.000 2.431 200 C HN 0.535 nan 8.230 nan 0.000 0.545 201 I N 3.800 124.308 120.570 -0.104 0.000 3.860 201 I HA 0.225 4.393 4.170 -0.003 0.000 0.319 201 I C 1.761 177.899 176.117 0.035 0.000 1.279 201 I CA 0.666 61.828 61.300 -0.229 0.000 1.220 201 I CB 0.131 37.992 38.000 -0.232 0.000 1.027 201 I HN 0.895 nan 8.210 nan 0.000 0.428 202 G N 0.123 108.965 108.800 0.070 0.000 3.523 202 G HA2 0.071 4.029 3.960 -0.003 0.000 0.270 202 G HA3 0.071 4.029 3.960 -0.003 0.000 0.270 202 G C 1.165 176.101 174.900 0.060 0.000 1.134 202 G CA -0.366 44.790 45.100 0.093 0.000 0.825 202 G HN 0.213 nan 8.290 nan 0.000 0.534 203 R N -0.289 120.136 120.500 -0.125 0.000 2.341 203 R HA -0.018 4.320 4.340 -0.003 0.000 0.213 203 R C 1.993 177.793 176.300 -0.832 0.000 1.082 203 R CA 0.219 55.894 56.100 -0.709 0.000 1.017 203 R CB -0.136 29.557 30.300 -1.012 0.000 0.860 203 R HN 0.422 nan 8.270 nan 0.000 0.473 204 I N 1.049 121.379 120.570 -0.400 0.000 2.700 204 I HA -0.228 3.940 4.170 -0.003 0.000 0.261 204 I C 1.384 177.415 176.117 -0.144 0.000 1.219 204 I CA 1.585 62.830 61.300 -0.092 0.000 1.463 204 I CB 0.085 38.130 38.000 0.075 0.000 1.092 204 I HN 0.084 nan 8.210 nan 0.000 0.452 205 Q N -0.157 119.455 119.800 -0.313 0.000 2.319 205 Q HA -0.033 4.305 4.340 -0.003 0.000 0.202 205 Q C 1.642 177.088 176.000 -0.924 0.000 0.896 205 Q CA 0.225 55.802 55.803 -0.376 0.000 0.942 205 Q CB -0.350 28.358 28.738 -0.050 0.000 1.083 205 Q HN 0.812 nan 8.270 nan 0.000 0.510 206 W N 1.447 121.893 121.300 -1.423 0.000 2.296 206 W HA -0.254 4.404 4.660 -0.004 0.000 0.296 206 W C 1.114 177.265 176.519 -0.612 0.000 1.220 206 W CA 1.626 58.014 57.345 -1.594 0.000 1.223 206 W CB -1.294 27.497 29.460 -1.115 0.000 1.139 206 W HN 0.139 nan 8.180 nan 0.000 0.534 207 S N -0.077 114.780 115.700 -1.405 0.000 2.528 207 S HA -0.025 4.443 4.470 -0.003 0.000 0.219 207 S C 0.778 175.091 174.600 -0.479 0.000 0.985 207 S CA 0.285 57.807 58.200 -1.130 0.000 0.914 207 S CB -0.531 61.861 63.200 -1.347 0.000 0.776 207 S HN 0.209 nan 8.310 nan 0.000 0.526 208 N N 1.376 119.889 118.700 -0.313 0.000 3.091 208 N HA 0.434 5.172 4.740 -0.003 0.000 0.255 208 N C -1.474 174.096 175.510 0.101 0.000 1.204 208 N CA -0.368 52.634 53.050 -0.079 0.000 0.990 208 N CB 0.534 39.003 38.487 -0.029 0.000 1.260 208 N HN 0.373 nan 8.380 nan 0.000 0.502 209 L N 1.972 123.237 121.223 0.069 0.000 2.431 209 L HA 0.449 4.787 4.340 -0.003 0.000 0.266 209 L C -0.840 176.001 176.870 -0.047 0.000 0.978 209 L CA -0.643 54.254 54.840 0.095 0.000 0.822 209 L CB 2.103 44.273 42.059 0.184 0.000 1.310 209 L HN 0.213 nan 8.230 nan 0.000 0.409 210 Q N 3.321 123.052 119.800 -0.114 0.000 2.349 210 Q HA 0.531 4.869 4.340 -0.003 0.000 0.254 210 Q C -1.650 174.017 176.000 -0.555 0.000 0.980 210 Q CA -0.248 55.324 55.803 -0.384 0.000 0.924 210 Q CB 1.113 29.508 28.738 -0.571 0.000 1.209 210 Q HN 0.515 nan 8.270 nan 0.000 0.445 211 V N 5.884 125.503 119.914 -0.492 0.000 2.383 211 V HA 0.398 4.516 4.120 -0.003 0.000 0.275 211 V C -0.504 175.273 176.094 -0.530 0.000 1.036 211 V CA -0.457 61.597 62.300 -0.410 0.000 0.889 211 V CB 0.260 31.946 31.823 -0.229 0.000 0.985 211 V HN 0.638 nan 8.190 nan 0.000 0.459 212 F N 2.606 122.385 119.950 -0.286 0.000 2.385 212 F HA 0.378 4.903 4.527 -0.003 0.000 0.360 212 F C 0.434 176.080 175.800 -0.257 0.000 1.122 212 F CA -0.842 56.998 58.000 -0.267 0.000 1.090 212 F CB 1.148 39.969 39.000 -0.299 0.000 1.150 212 F HN 0.423 nan 8.300 nan 0.000 0.472 213 D N 3.152 123.535 120.400 -0.029 0.000 2.339 213 D HA 0.434 5.072 4.640 -0.003 0.000 0.241 213 D C 0.026 176.240 176.300 -0.143 0.000 1.183 213 D CA 0.148 54.092 54.000 -0.093 0.000 0.859 213 D CB 1.234 41.997 40.800 -0.061 0.000 1.067 213 D HN 0.621 nan 8.370 nan 0.000 0.484 214 A N 4.512 127.167 122.820 -0.276 0.000 2.631 214 A HA 0.166 4.484 4.320 -0.003 0.000 0.294 214 A C 1.534 179.026 177.584 -0.154 0.000 1.156 214 A CA -0.383 51.387 52.037 -0.445 0.000 0.963 214 A CB 0.115 18.570 19.000 -0.909 0.000 1.202 214 A HN 0.536 nan 8.150 nan 0.000 0.523 215 R N 0.385 120.831 120.500 -0.090 0.000 2.280 215 R HA -0.072 4.266 4.340 -0.003 0.000 0.207 215 R C 1.824 178.068 176.300 -0.093 0.000 1.043 215 R CA 1.361 57.428 56.100 -0.056 0.000 1.006 215 R CB -0.027 30.278 30.300 0.008 0.000 0.885 215 R HN 0.611 nan 8.270 nan 0.000 0.467 216 S N -0.642 115.030 115.700 -0.048 0.000 2.562 216 S HA -0.013 4.455 4.470 -0.003 0.000 0.221 216 S C 1.103 175.708 174.600 0.008 0.000 0.975 216 S CA -0.474 57.720 58.200 -0.011 0.000 0.918 216 S CB -0.296 62.926 63.200 0.037 0.000 0.772 216 S HN 0.280 nan 8.310 nan 0.000 0.531 217 C N 2.899 122.196 119.300 -0.005 0.000 2.702 217 C HA 0.437 4.895 4.460 -0.003 0.000 0.411 217 C C 1.817 176.808 174.990 0.002 0.000 1.286 217 C CA 0.671 59.730 59.018 0.069 0.000 1.979 217 C CB 0.396 28.190 27.740 0.091 0.000 2.728 217 C HN 0.751 nan 8.230 nan 0.000 0.652 218 S N 0.247 116.073 115.700 0.210 0.000 2.560 218 S HA 0.195 4.663 4.470 -0.003 0.000 0.281 218 S C 0.016 174.818 174.600 0.336 0.000 1.075 218 S CA 0.367 58.774 58.200 0.345 0.000 1.295 218 S CB -0.061 63.252 63.200 0.188 0.000 1.156 218 S HN 1.068 nan 8.310 nan 0.000 0.627 219 T N -1.229 113.468 114.554 0.238 0.000 2.906 219 T HA 0.838 5.186 4.350 -0.003 0.000 0.295 219 T C 1.157 175.903 174.700 0.076 0.000 1.061 219 T CA -0.168 62.006 62.100 0.122 0.000 1.000 219 T CB 1.540 70.464 68.868 0.094 0.000 1.103 219 T HN 0.285 nan 8.240 nan 0.000 0.486 220 A N 1.690 124.525 122.820 0.025 0.000 1.917 220 A HA -0.113 4.205 4.320 -0.003 0.000 0.219 220 A C 2.325 179.838 177.584 -0.117 0.000 1.182 220 A CA 2.183 54.219 52.037 -0.003 0.000 0.633 220 A CB -0.926 18.157 19.000 0.138 0.000 0.819 220 A HN 0.892 nan 8.150 nan 0.000 0.448 221 R N 0.428 120.948 120.500 0.034 0.000 2.091 221 R HA -0.153 4.185 4.340 -0.003 0.000 0.238 221 R C 1.838 178.089 176.300 -0.082 0.000 1.136 221 R CA 2.273 58.355 56.100 -0.030 0.000 0.959 221 R CB -0.644 29.752 30.300 0.159 0.000 0.856 221 R HN 0.706 nan 8.270 nan 0.000 0.437 222 E N -0.514 119.682 120.200 -0.007 0.000 2.106 222 E HA -0.158 4.191 4.350 -0.003 0.000 0.192 222 E C 2.058 178.694 176.600 0.060 0.000 0.984 222 E CA 1.506 57.911 56.400 0.009 0.000 0.806 222 E CB -0.139 29.617 29.700 0.094 0.000 0.750 222 E HN 0.372 nan 8.360 nan 0.000 0.458 223 M N 0.016 119.640 119.600 0.041 0.000 2.117 223 M HA -0.162 4.316 4.480 -0.003 0.000 0.262 223 M C 2.171 178.514 176.300 0.071 0.000 1.065 223 M CA 1.245 56.570 55.300 0.041 0.000 1.114 223 M CB -0.257 32.183 32.600 -0.267 0.000 1.361 223 M HN 0.126 nan 8.290 nan 0.000 0.408 224 F N 1.571 121.307 119.950 -0.356 0.000 2.095 224 F HA -0.207 4.318 4.527 -0.003 0.000 0.298 224 F C 2.022 177.704 175.800 -0.197 0.000 1.104 224 F CA 1.865 59.615 58.000 -0.417 0.000 1.232 224 F CB -0.407 38.017 39.000 -0.959 0.000 0.987 224 F HN 0.157 nan 8.300 nan 0.000 0.475 225 E N -1.109 118.913 120.200 -0.298 0.000 2.077 225 E HA -0.237 4.111 4.350 -0.003 0.000 0.193 225 E C 2.181 178.603 176.600 -0.296 0.000 0.989 225 E CA 1.349 57.527 56.400 -0.369 0.000 0.800 225 E CB -0.459 29.077 29.700 -0.273 0.000 0.746 225 E HN 0.502 nan 8.360 nan 0.000 0.452 226 H N 0.347 119.357 119.070 -0.101 0.000 2.387 226 H HA -0.069 4.485 4.556 -0.003 0.000 0.299 226 H C 2.212 177.454 175.328 -0.143 0.000 1.090 226 H CA 1.051 57.051 56.048 -0.079 0.000 1.332 226 H CB -0.039 29.803 29.762 0.133 0.000 1.386 226 H HN 0.196 nan 8.280 nan 0.000 0.516 227 I N -0.371 120.227 120.570 0.046 0.000 2.286 227 I HA -0.253 3.915 4.170 -0.003 0.000 0.245 227 I C 2.546 178.572 176.117 -0.151 0.000 1.104 227 I CA 0.599 61.886 61.300 -0.022 0.000 1.397 227 I CB -0.150 37.870 38.000 0.033 0.000 1.072 227 I HN 0.201 nan 8.210 nan 0.000 0.417 228 C N 0.250 119.370 119.300 -0.300 0.000 2.422 228 C HA -0.138 4.320 4.460 -0.003 0.000 0.279 228 C C 2.920 177.792 174.990 -0.197 0.000 1.305 228 C CA 0.741 59.574 59.018 -0.308 0.000 1.757 228 C CB -1.200 26.246 27.740 -0.491 0.000 1.962 228 C HN 0.427 nan 8.230 nan 0.000 0.499 229 R N -0.200 120.163 120.500 -0.228 0.000 2.070 229 R HA -0.169 4.169 4.340 -0.003 0.000 0.233 229 R C 2.215 178.362 176.300 -0.255 0.000 1.137 229 R CA 1.905 57.854 56.100 -0.252 0.000 0.945 229 R CB -0.581 29.502 30.300 -0.363 0.000 0.845 229 R HN 0.750 nan 8.270 nan 0.000 0.430 230 H N -0.627 118.163 119.070 -0.466 0.000 2.290 230 H HA -0.124 4.430 4.556 -0.003 0.000 0.298 230 H C 1.964 177.284 175.328 -0.013 0.000 1.087 230 H CA 1.830 57.686 56.048 -0.320 0.000 1.291 230 H CB 0.141 29.753 29.762 -0.250 0.000 1.369 230 H HN 0.043 nan 8.280 nan 0.000 0.492 231 V N 0.844 120.812 119.914 0.089 0.000 2.295 231 V HA -0.267 3.851 4.120 -0.003 0.000 0.246 231 V C 2.581 178.719 176.094 0.074 0.000 1.049 231 V CA 2.213 64.534 62.300 0.035 0.000 1.024 231 V CB -0.619 31.168 31.823 -0.060 0.000 0.648 231 V HN 0.414 nan 8.190 nan 0.000 0.447 232 R N -1.329 119.200 120.500 0.048 0.000 2.096 232 R HA -0.216 4.122 4.340 -0.003 0.000 0.235 232 R C 2.331 178.698 176.300 0.111 0.000 1.127 232 R CA 2.011 58.142 56.100 0.052 0.000 0.968 232 R CB -0.373 29.939 30.300 0.021 0.000 0.861 232 R HN 0.656 nan 8.270 nan 0.000 0.440 233 Y N 0.492 120.835 120.300 0.071 0.000 2.109 233 Y HA -0.129 4.420 4.550 -0.003 0.000 0.281 233 Y C 2.348 178.339 175.900 0.151 0.000 1.113 233 Y CA 2.086 60.270 58.100 0.140 0.000 1.098 233 Y CB -0.538 38.085 38.460 0.272 0.000 0.996 233 Y HN -0.020 nan 8.280 nan 0.000 0.485 234 S N -0.158 115.656 115.700 0.190 0.000 2.387 234 S HA -0.230 4.238 4.470 -0.003 0.000 0.230 234 S C 1.852 176.460 174.600 0.013 0.000 1.035 234 S CA 1.802 60.056 58.200 0.091 0.000 1.014 234 S CB -0.760 62.649 63.200 0.348 0.000 0.836 234 S HN 0.629 nan 8.310 nan 0.000 0.466 235 T N 1.522 116.098 114.554 0.037 0.000 2.674 235 T HA -0.087 4.261 4.350 -0.003 0.000 0.265 235 T C 1.007 175.701 174.700 -0.010 0.000 1.039 235 T CA 1.184 63.304 62.100 0.033 0.000 1.150 235 T CB -0.642 68.247 68.868 0.036 0.000 0.864 235 T HN 0.482 nan 8.240 nan 0.000 0.427 236 N N 1.946 120.615 118.700 -0.052 0.000 2.705 236 N HA -0.274 4.464 4.740 -0.003 0.000 0.255 236 N C 0.081 175.568 175.510 -0.038 0.000 1.008 236 N CA 0.925 53.929 53.050 -0.077 0.000 0.742 236 N CB -2.201 36.191 38.487 -0.159 0.000 0.906 236 N HN 0.646 nan 8.380 nan 0.000 0.541 237 N N -1.195 117.495 118.700 -0.016 0.000 2.708 237 N HA -0.255 4.483 4.740 -0.003 0.000 0.249 237 N C 0.927 176.432 175.510 -0.009 0.000 1.097 237 N CA 1.545 54.589 53.050 -0.011 0.000 0.710 237 N CB -1.261 37.218 38.487 -0.014 0.000 1.032 237 N HN 1.225 nan 8.380 nan 0.000 0.551 238 G N -0.539 108.264 108.800 0.004 0.000 2.254 238 G HA2 -0.276 3.682 3.960 -0.003 0.000 0.225 238 G HA3 -0.276 3.682 3.960 -0.003 0.000 0.225 238 G C 0.020 174.929 174.900 0.016 0.000 1.003 238 G CA 0.258 45.368 45.100 0.017 0.000 0.622 238 G HN 0.480 nan 8.290 nan 0.000 0.507 239 N N 2.275 120.966 118.700 -0.014 0.000 3.331 239 N HA 0.366 5.104 4.740 -0.003 0.000 0.303 239 N C 0.790 176.287 175.510 -0.022 0.000 1.326 239 N CA -0.342 52.685 53.050 -0.039 0.000 1.207 239 N CB -0.015 38.438 38.487 -0.056 0.000 1.477 239 N HN 0.395 nan 8.380 nan 0.000 0.541 240 I N 1.298 121.892 120.570 0.040 0.000 2.996 240 I HA -0.192 3.976 4.170 -0.003 0.000 0.311 240 I C 1.014 177.249 176.117 0.198 0.000 1.219 240 I CA 0.812 62.189 61.300 0.128 0.000 1.452 240 I CB -0.530 37.621 38.000 0.253 0.000 1.319 240 I HN 0.386 nan 8.210 nan 0.000 0.564 241 R N 2.937 123.535 120.500 0.164 0.000 2.651 241 R HA 0.597 4.935 4.340 -0.003 0.000 0.278 241 R C -0.767 175.669 176.300 0.228 0.000 1.010 241 R CA -0.816 55.416 56.100 0.221 0.000 0.896 241 R CB 1.111 31.425 30.300 0.024 0.000 1.211 241 R HN 0.438 nan 8.270 nan 0.000 0.456 242 S N 0.714 116.550 115.700 0.226 0.000 2.572 242 S HA 0.562 5.030 4.470 -0.003 0.000 0.279 242 S C -0.190 174.517 174.600 0.179 0.000 1.341 242 S CA 0.195 58.455 58.200 0.101 0.000 1.043 242 S CB 1.201 64.370 63.200 -0.052 0.000 0.887 242 S HN 0.774 nan 8.310 nan 0.000 0.516 243 A N 1.810 124.705 122.820 0.124 0.000 2.586 243 A HA 0.846 5.164 4.320 -0.003 0.000 0.290 243 A C -1.419 176.143 177.584 -0.035 0.000 1.086 243 A CA -0.669 51.366 52.037 -0.003 0.000 0.665 243 A CB 1.087 20.109 19.000 0.037 0.000 1.279 243 A HN 0.799 nan 8.150 nan 0.000 0.423 244 I N -0.198 120.271 120.570 -0.168 0.000 2.842 244 I HA 0.598 4.766 4.170 -0.003 0.000 0.297 244 I C -1.442 174.649 176.117 -0.043 0.000 1.380 244 I CA -0.113 61.200 61.300 0.020 0.000 1.018 244 I CB 2.442 40.444 38.000 0.003 0.000 1.311 244 I HN 0.616 nan 8.210 nan 0.000 0.439 245 T N 5.960 120.520 114.554 0.010 0.000 2.815 245 T HA 0.431 4.779 4.350 -0.003 0.000 0.289 245 T C -0.804 173.655 174.700 -0.402 0.000 1.000 245 T CA -0.333 61.656 62.100 -0.184 0.000 0.958 245 T CB 1.407 70.134 68.868 -0.234 0.000 0.944 245 T HN 0.249 nan 8.240 nan 0.000 0.442 246 V N 5.227 124.920 119.914 -0.369 0.000 2.364 246 V HA 0.461 4.579 4.120 -0.003 0.000 0.272 246 V C -0.315 175.608 176.094 -0.286 0.000 1.036 246 V CA -0.766 61.347 62.300 -0.310 0.000 0.880 246 V CB -0.160 31.474 31.823 -0.315 0.000 0.991 246 V HN 0.674 nan 8.190 nan 0.000 0.460 247 F N 6.104 126.079 119.950 0.041 0.000 2.370 247 F HA 0.493 5.017 4.527 -0.003 0.000 0.319 247 F C -1.679 174.128 175.800 0.013 0.000 1.129 247 F CA -2.701 55.279 58.000 -0.033 0.000 1.109 247 F CB 0.360 39.383 39.000 0.037 0.000 1.262 247 F HN 0.302 nan 8.300 nan 0.000 0.534 248 P HA -0.071 nan 4.420 nan 0.000 0.261 248 P C -0.764 176.488 177.300 -0.079 0.000 1.173 248 P CA -0.009 63.001 63.100 -0.151 0.000 0.760 248 P CB 0.236 31.616 31.700 -0.533 0.000 0.783 249 Q N 3.290 122.925 119.800 -0.274 0.000 2.584 249 Q HA 0.046 4.384 4.340 -0.003 0.000 0.235 249 Q C 0.190 176.023 176.000 -0.277 0.000 1.079 249 Q CA -0.360 55.052 55.803 -0.650 0.000 0.977 249 Q CB 0.553 28.590 28.738 -1.169 0.000 1.293 249 Q HN 0.394 nan 8.270 nan 0.000 0.553 250 R N 0.851 121.189 120.500 -0.268 0.000 2.347 250 R HA 0.074 4.412 4.340 -0.003 0.000 0.304 250 R C 0.121 176.364 176.300 -0.094 0.000 1.072 250 R CA 0.569 56.612 56.100 -0.095 0.000 0.980 250 R CB 0.596 30.853 30.300 -0.072 0.000 0.986 250 R HN 0.905 nan 8.270 nan 0.000 0.448 251 S N 3.258 118.951 115.700 -0.013 0.000 2.650 251 S HA 0.023 4.491 4.470 -0.003 0.000 0.182 251 S C 0.960 175.579 174.600 0.031 0.000 0.832 251 S CA 0.092 58.288 58.200 -0.007 0.000 0.860 251 S CB -0.136 63.065 63.200 0.001 0.000 0.818 251 S HN 0.680 nan 8.310 nan 0.000 0.600 252 D N 1.282 121.745 120.400 0.104 0.000 2.120 252 D HA 0.181 4.819 4.640 -0.003 0.000 0.202 252 D C 1.512 177.851 176.300 0.066 0.000 0.972 252 D CA 1.586 55.656 54.000 0.117 0.000 0.837 252 D CB -0.226 40.730 40.800 0.260 0.000 0.989 252 D HN 0.728 nan 8.370 nan 0.000 0.469 253 G N 1.064 109.905 108.800 0.067 0.000 2.211 253 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.201 253 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.201 253 G C 0.962 175.861 174.900 -0.002 0.000 0.997 253 G CA 0.425 45.540 45.100 0.024 0.000 0.652 253 G HN 0.334 nan 8.290 nan 0.000 0.500 254 K N -0.052 120.333 120.400 -0.025 0.000 2.355 254 K HA 0.302 4.620 4.320 -0.003 0.000 0.198 254 K C 0.576 176.965 176.600 -0.353 0.000 1.039 254 K CA 0.080 56.264 56.287 -0.172 0.000 1.075 254 K CB 0.235 32.603 32.500 -0.219 0.000 0.870 254 K HN 0.476 nan 8.250 nan 0.000 0.540 255 H N 0.632 119.711 119.070 0.015 0.000 2.534 255 H HA 0.224 4.779 4.556 -0.003 0.000 0.250 255 H C -1.261 174.091 175.328 0.039 0.000 1.256 255 H CA -0.758 55.296 56.048 0.010 0.000 1.000 255 H CB 0.389 30.180 29.762 0.049 0.000 1.801 255 H HN 0.055 nan 8.280 nan 0.000 0.569 256 D N 0.496 120.936 120.400 0.067 0.000 2.350 256 D HA 0.050 4.688 4.640 -0.003 0.000 0.249 256 D C -0.259 176.067 176.300 0.045 0.000 1.119 256 D CA 0.276 54.338 54.000 0.105 0.000 0.886 256 D CB 0.823 41.665 40.800 0.070 0.000 1.195 256 D HN 0.220 nan 8.370 nan 0.000 0.437 257 F N 2.761 122.742 119.950 0.050 0.000 2.347 257 F HA 0.321 4.846 4.527 -0.003 0.000 0.366 257 F C 0.730 176.569 175.800 0.064 0.000 1.107 257 F CA -0.644 57.360 58.000 0.006 0.000 1.058 257 F CB 0.748 39.746 39.000 -0.003 0.000 1.236 257 F HN 0.141 nan 8.300 nan 0.000 0.456 258 R N 1.460 122.072 120.500 0.187 0.000 2.710 258 R HA 0.781 5.119 4.340 -0.003 0.000 0.270 258 R C -2.170 174.294 176.300 0.274 0.000 1.021 258 R CA -1.117 55.136 56.100 0.256 0.000 0.889 258 R CB 1.514 31.959 30.300 0.243 0.000 1.243 258 R HN 0.156 nan 8.270 nan 0.000 0.464 259 V N 1.954 122.048 119.914 0.300 0.000 2.407 259 V HA 0.122 4.240 4.120 -0.003 0.000 0.278 259 V C 0.124 176.472 176.094 0.425 0.000 1.037 259 V CA -0.499 61.980 62.300 0.298 0.000 0.900 259 V CB 0.918 32.872 31.823 0.217 0.000 0.983 259 V HN 0.745 nan 8.190 nan 0.000 0.459 260 W N 2.088 123.487 121.300 0.166 0.000 2.436 260 W HA 0.010 4.668 4.660 -0.004 0.000 0.284 260 W C 1.035 177.711 176.519 0.262 0.000 1.225 260 W CA -0.306 57.227 57.345 0.314 0.000 1.271 260 W CB -0.776 28.979 29.460 0.491 0.000 1.114 260 W HN 0.532 nan 8.180 nan 0.000 0.559 261 N N 0.324 119.172 118.700 0.247 0.000 2.458 261 N HA 0.192 4.930 4.740 -0.003 0.000 0.258 261 N C 1.141 176.533 175.510 -0.195 0.000 1.219 261 N CA 0.792 53.658 53.050 -0.307 0.000 0.902 261 N CB 0.627 38.967 38.487 -0.245 0.000 1.076 261 N HN -0.024 nan 8.380 nan 0.000 0.455 262 A N 2.273 124.923 122.820 -0.283 0.000 1.972 262 A HA -0.133 4.185 4.320 -0.003 0.000 0.219 262 A C 0.489 177.975 177.584 -0.163 0.000 1.169 262 A CA 1.425 53.377 52.037 -0.142 0.000 0.635 262 A CB -0.063 18.878 19.000 -0.098 0.000 0.810 262 A HN 0.748 nan 8.150 nan 0.000 0.446 263 Q N -2.007 117.664 119.800 -0.216 0.000 2.416 263 Q HA 0.518 4.856 4.340 -0.003 0.000 0.281 263 Q C 0.266 176.110 176.000 -0.260 0.000 1.067 263 Q CA -0.649 55.016 55.803 -0.230 0.000 0.809 263 Q CB 1.783 30.410 28.738 -0.186 0.000 1.418 263 Q HN 0.230 nan 8.270 nan 0.000 0.411 264 L N 0.518 121.582 121.223 -0.266 0.000 2.046 264 L HA -0.017 4.321 4.340 -0.003 0.000 0.208 264 L C 0.572 177.269 176.870 -0.289 0.000 1.077 264 L CA 1.403 56.102 54.840 -0.236 0.000 0.747 264 L CB -0.022 41.885 42.059 -0.253 0.000 0.896 264 L HN 0.499 nan 8.230 nan 0.000 0.432 265 I N -0.438 119.871 120.570 -0.436 0.000 2.406 265 I HA 0.367 4.535 4.170 -0.003 0.000 0.290 265 I C -0.172 175.350 176.117 -0.992 0.000 0.999 265 I CA -0.347 60.547 61.300 -0.676 0.000 1.124 265 I CB 1.778 39.298 38.000 -0.800 0.000 1.289 265 I HN 0.071 nan 8.210 nan 0.000 0.441 266 R N 4.030 124.070 120.500 -0.767 0.000 2.664 266 R HA 0.445 4.783 4.340 -0.003 0.000 0.266 266 R C -1.764 174.313 176.300 -0.371 0.000 1.046 266 R CA -0.791 54.935 56.100 -0.623 0.000 0.885 266 R CB 2.054 32.167 30.300 -0.312 0.000 1.254 266 R HN 0.305 nan 8.270 nan 0.000 0.465 267 Y N 0.662 120.928 120.300 -0.056 0.000 2.307 267 Y HA 0.495 5.043 4.550 -0.003 0.000 0.324 267 Y C 0.812 176.712 175.900 0.001 0.000 1.238 267 Y CA -0.633 57.489 58.100 0.036 0.000 1.280 267 Y CB 1.144 39.724 38.460 0.201 0.000 1.248 267 Y HN 0.652 nan 8.280 nan 0.000 0.508 268 A N 1.161 124.065 122.820 0.140 0.000 2.351 268 A HA 0.631 4.949 4.320 -0.003 0.000 0.257 268 A C 0.463 177.886 177.584 -0.268 0.000 1.087 268 A CA 0.205 52.154 52.037 -0.147 0.000 0.798 268 A CB -0.168 18.676 19.000 -0.261 0.000 1.033 268 A HN 0.904 nan 8.150 nan 0.000 0.488 269 G N 0.009 108.583 108.800 -0.378 0.000 2.609 269 G HA2 0.581 4.539 3.960 -0.003 0.000 0.308 269 G HA3 0.581 4.539 3.960 -0.003 0.000 0.308 269 G C -1.368 173.352 174.900 -0.301 0.000 1.369 269 G CA -0.258 44.694 45.100 -0.247 0.000 0.958 269 G HN 0.519 nan 8.290 nan 0.000 0.499 270 Y N 0.255 120.619 120.300 0.107 0.000 2.376 270 Y HA 0.453 5.001 4.550 -0.003 0.000 0.340 270 Y C 0.374 176.340 175.900 0.110 0.000 0.965 270 Y CA -0.917 57.274 58.100 0.151 0.000 1.078 270 Y CB 2.564 41.184 38.460 0.267 0.000 1.193 270 Y HN 0.485 nan 8.280 nan 0.000 0.452 271 Q N 3.961 123.916 119.800 0.258 0.000 2.361 271 Q HA 0.330 4.668 4.340 -0.003 0.000 0.250 271 Q C -0.665 175.406 176.000 0.118 0.000 1.023 271 Q CA -0.567 55.324 55.803 0.145 0.000 0.915 271 Q CB 0.479 29.280 28.738 0.105 0.000 1.238 271 Q HN 0.555 nan 8.270 nan 0.000 0.451 272 M N 4.170 123.815 119.600 0.076 0.000 2.202 272 M HA 0.152 4.630 4.480 -0.003 0.000 0.316 272 M C -1.577 174.711 176.300 -0.020 0.000 1.138 272 M CA -2.118 53.183 55.300 0.001 0.000 1.151 272 M CB -0.239 32.354 32.600 -0.011 0.000 1.422 272 M HN 0.401 nan 8.290 nan 0.000 0.471 273 P HA -0.172 nan 4.420 nan 0.000 0.217 273 P C 0.558 177.840 177.300 -0.031 0.000 1.148 273 P CA 1.324 64.394 63.100 -0.051 0.000 0.828 273 P CB -0.036 31.617 31.700 -0.078 0.000 0.783 274 D N -1.934 118.449 120.400 -0.029 0.000 2.336 274 D HA 0.033 4.671 4.640 -0.003 0.000 0.229 274 D C 1.462 177.759 176.300 -0.005 0.000 1.061 274 D CA 0.791 54.780 54.000 -0.018 0.000 0.875 274 D CB -0.685 40.104 40.800 -0.019 0.000 0.904 274 D HN 0.258 nan 8.370 nan 0.000 0.525 275 G N 0.513 109.313 108.800 0.001 0.000 2.299 275 G HA2 -0.325 3.633 3.960 -0.003 0.000 0.237 275 G HA3 -0.325 3.633 3.960 -0.003 0.000 0.237 275 G C 0.531 175.442 174.900 0.019 0.000 1.027 275 G CA 0.476 45.583 45.100 0.012 0.000 0.619 275 G HN 0.835 nan 8.290 nan 0.000 0.513 276 S N 0.220 115.929 115.700 0.016 0.000 2.596 276 S HA 0.637 5.105 4.470 -0.003 0.000 0.260 276 S C 0.251 174.872 174.600 0.035 0.000 1.336 276 S CA -0.090 58.122 58.200 0.021 0.000 0.993 276 S CB 1.277 64.486 63.200 0.015 0.000 0.923 276 S HN 0.725 nan 8.310 nan 0.000 0.567 277 I N 1.138 121.729 120.570 0.034 0.000 2.362 277 I HA 0.395 4.564 4.170 -0.003 0.000 0.289 277 I C 0.411 176.555 176.117 0.045 0.000 0.994 277 I CA -0.475 60.855 61.300 0.050 0.000 1.158 277 I CB 1.495 39.511 38.000 0.026 0.000 1.315 277 I HN 0.650 nan 8.210 nan 0.000 0.451 278 R N 5.217 125.786 120.500 0.115 0.000 2.229 278 R HA 0.651 4.989 4.340 -0.003 0.000 0.328 278 R C 0.262 176.654 176.300 0.154 0.000 1.009 278 R CA 0.431 56.608 56.100 0.127 0.000 0.864 278 R CB 1.004 31.410 30.300 0.178 0.000 1.085 278 R HN 0.929 nan 8.270 nan 0.000 0.453 279 G N 2.938 111.736 108.800 -0.004 0.000 2.472 279 G HA2 -0.237 3.721 3.960 -0.003 0.000 0.205 279 G HA3 -0.237 3.721 3.960 -0.003 0.000 0.205 279 G C -1.356 173.311 174.900 -0.389 0.000 1.270 279 G CA -0.297 44.762 45.100 -0.069 0.000 0.974 279 G HN 0.626 nan 8.290 nan 0.000 0.542 280 D N 1.240 121.510 120.400 -0.218 0.000 2.339 280 D HA 0.528 5.166 4.640 -0.003 0.000 0.241 280 D C -0.938 175.304 176.300 -0.097 0.000 1.183 280 D CA -1.915 51.949 54.000 -0.225 0.000 0.859 280 D CB 1.469 42.415 40.800 0.242 0.000 1.067 280 D HN -0.016 nan 8.370 nan 0.000 0.484 281 P HA -0.096 nan 4.420 nan 0.000 0.218 281 P C 0.944 178.264 177.300 0.033 0.000 1.148 281 P CA 1.121 64.207 63.100 -0.024 0.000 0.822 281 P CB 0.228 31.916 31.700 -0.020 0.000 0.784 282 A N -0.434 122.424 122.820 0.065 0.000 2.076 282 A HA -0.161 4.157 4.320 -0.003 0.000 0.220 282 A C 1.623 179.267 177.584 0.101 0.000 1.160 282 A CA 1.510 53.606 52.037 0.098 0.000 0.653 282 A CB -0.918 18.164 19.000 0.136 0.000 0.801 282 A HN 0.200 nan 8.150 nan 0.000 0.455 283 N N -0.545 118.204 118.700 0.082 0.000 2.282 283 N HA 0.152 4.890 4.740 -0.003 0.000 0.240 283 N C 0.979 176.523 175.510 0.057 0.000 1.182 283 N CA 0.190 53.289 53.050 0.083 0.000 0.874 283 N CB 0.890 39.412 38.487 0.059 0.000 1.126 283 N HN 0.208 nan 8.380 nan 0.000 0.516 284 V N 1.163 121.103 119.914 0.044 0.000 2.295 284 V HA -0.232 3.886 4.120 -0.003 0.000 0.246 284 V C 2.476 178.589 176.094 0.032 0.000 1.049 284 V CA 1.815 64.131 62.300 0.025 0.000 1.024 284 V CB -0.264 31.587 31.823 0.046 0.000 0.648 284 V HN 0.379 nan 8.190 nan 0.000 0.447 285 E N -0.466 119.774 120.200 0.066 0.000 2.051 285 E HA -0.265 4.083 4.350 -0.003 0.000 0.192 285 E C 2.087 178.625 176.600 -0.102 0.000 0.991 285 E CA 1.627 58.052 56.400 0.042 0.000 0.799 285 E CB -0.218 29.578 29.700 0.161 0.000 0.748 285 E HN 0.559 nan 8.360 nan 0.000 0.449 286 F N 1.037 120.839 119.950 -0.246 0.000 2.234 286 F HA -0.133 4.392 4.527 -0.003 0.000 0.299 286 F C 2.187 177.806 175.800 -0.302 0.000 1.087 286 F CA 1.607 59.335 58.000 -0.454 0.000 1.340 286 F CB -0.212 38.597 39.000 -0.319 0.000 1.031 286 F HN -0.017 nan 8.300 nan 0.000 0.500 287 T N 0.059 114.557 114.554 -0.093 0.000 2.777 287 T HA -0.180 4.168 4.350 -0.003 0.000 0.266 287 T C 1.914 176.550 174.700 -0.107 0.000 1.040 287 T CA 1.231 63.257 62.100 -0.122 0.000 1.141 287 T CB -0.206 68.597 68.868 -0.109 0.000 0.868 287 T HN 0.234 nan 8.240 nan 0.000 0.444 288 Q N 0.629 120.368 119.800 -0.101 0.000 2.061 288 Q HA -0.048 4.290 4.340 -0.003 0.000 0.204 288 Q C 2.364 178.268 176.000 -0.159 0.000 0.984 288 Q CA 0.934 56.694 55.803 -0.072 0.000 0.846 288 Q CB -0.774 27.932 28.738 -0.054 0.000 0.902 288 Q HN 0.372 nan 8.270 nan 0.000 0.421 289 L N 0.254 121.280 121.223 -0.327 0.000 2.042 289 L HA -0.221 4.117 4.340 -0.003 0.000 0.210 289 L C 2.181 178.853 176.870 -0.331 0.000 1.076 289 L CA 1.691 56.301 54.840 -0.383 0.000 0.749 289 L CB -0.912 40.736 42.059 -0.685 0.000 0.893 289 L HN 0.293 nan 8.230 nan 0.000 0.432 290 C N 0.028 119.079 119.300 -0.415 0.000 2.425 290 C HA -0.142 4.316 4.460 -0.003 0.000 0.277 290 C C 2.797 177.811 174.990 0.041 0.000 1.280 290 C CA 0.491 59.357 59.018 -0.252 0.000 1.744 290 C CB -0.740 26.779 27.740 -0.368 0.000 1.989 290 C HN 0.529 nan 8.230 nan 0.000 0.491 291 I N 0.984 121.603 120.570 0.083 0.000 2.353 291 I HA -0.149 4.019 4.170 -0.003 0.000 0.248 291 I C 2.004 178.119 176.117 -0.003 0.000 1.119 291 I CA 1.390 62.748 61.300 0.096 0.000 1.417 291 I CB -0.603 37.451 38.000 0.090 0.000 1.078 291 I HN 0.291 nan 8.210 nan 0.000 0.421 292 D N 1.044 121.409 120.400 -0.059 0.000 2.178 292 D HA -0.088 4.550 4.640 -0.003 0.000 0.202 292 D C 2.142 178.374 176.300 -0.113 0.000 0.974 292 D CA 1.170 55.108 54.000 -0.102 0.000 0.841 292 D CB -0.104 40.605 40.800 -0.153 0.000 0.953 292 D HN 0.332 nan 8.370 nan 0.000 0.478 293 L N -0.784 120.380 121.223 -0.098 0.000 2.599 293 L HA 0.173 4.511 4.340 -0.003 0.000 0.230 293 L C 1.643 178.481 176.870 -0.052 0.000 1.141 293 L CA 0.540 55.329 54.840 -0.086 0.000 0.877 293 L CB 0.078 42.084 42.059 -0.089 0.000 1.009 293 L HN 0.177 nan 8.230 nan 0.000 0.447 294 G N -1.502 107.283 108.800 -0.024 0.000 2.316 294 G HA2 -0.278 3.680 3.960 -0.003 0.000 0.203 294 G HA3 -0.278 3.680 3.960 -0.003 0.000 0.203 294 G C -0.080 174.836 174.900 0.028 0.000 0.999 294 G CA -0.398 44.691 45.100 -0.018 0.000 0.649 294 G HN 0.221 nan 8.290 nan 0.000 0.489 295 W N 3.718 124.948 121.300 -0.116 0.000 2.257 295 W HA 0.501 5.159 4.660 -0.003 0.000 0.337 295 W C 0.710 177.180 176.519 -0.081 0.000 1.321 295 W CA 0.339 57.625 57.345 -0.099 0.000 1.267 295 W CB 0.586 29.985 29.460 -0.103 0.000 1.187 295 W HN 0.153 nan 8.180 nan 0.000 0.565 296 K N 9.192 129.147 120.400 -0.742 0.000 2.262 296 K HA 0.253 4.571 4.320 -0.003 0.000 0.282 296 K C -2.135 173.701 176.600 -1.272 0.000 1.066 296 K CA -1.643 54.207 56.287 -0.728 0.000 0.901 296 K CB 0.681 32.901 32.500 -0.467 0.000 1.089 296 K HN 0.223 nan 8.250 nan 0.000 0.476 297 P HA 0.084 nan 4.420 nan 0.000 0.271 297 P C -0.855 175.876 177.300 -0.949 0.000 1.216 297 P CA -0.098 62.354 63.100 -1.079 0.000 0.776 297 P CB 0.916 32.079 31.700 -0.894 0.000 0.881 298 K N 1.073 121.033 120.400 -0.734 0.000 2.374 298 K HA 0.112 4.430 4.320 -0.003 0.000 0.202 298 K C -0.345 176.034 176.600 -0.369 0.000 1.040 298 K CA -0.233 55.811 56.287 -0.405 0.000 1.085 298 K CB -0.182 32.235 32.500 -0.137 0.000 0.873 298 K HN 0.262 nan 8.250 nan 0.000 0.539 299 Y N 0.407 120.303 120.300 -0.674 0.000 3.054 299 Y HA -0.270 4.278 4.550 -0.003 0.000 0.210 299 Y C 0.681 176.435 175.900 -0.245 0.000 1.212 299 Y CA 0.638 58.247 58.100 -0.819 0.000 1.118 299 Y CB -2.150 35.977 38.460 -0.555 0.000 1.292 299 Y HN 0.190 nan 8.280 nan 0.000 0.533 300 G N -0.514 108.342 108.800 0.094 0.000 2.537 300 G HA2 0.587 4.545 3.960 -0.003 0.000 0.323 300 G HA3 0.587 4.545 3.960 -0.003 0.000 0.323 300 G C 0.555 175.555 174.900 0.167 0.000 1.207 300 G CA -1.012 44.170 45.100 0.136 0.000 0.976 300 G HN 0.267 nan 8.290 nan 0.000 0.487 301 R N -0.955 119.526 120.500 -0.032 0.000 2.153 301 R HA 0.091 4.429 4.340 -0.003 0.000 0.218 301 R C -0.071 175.845 176.300 -0.640 0.000 1.072 301 R CA 0.927 56.829 56.100 -0.331 0.000 0.990 301 R CB 0.015 29.939 30.300 -0.626 0.000 0.889 301 R HN 0.403 nan 8.270 nan 0.000 0.452 302 F N 0.894 120.805 119.950 -0.064 0.000 2.597 302 F HA 0.270 4.795 4.527 -0.003 0.000 0.336 302 F C -0.756 174.895 175.800 -0.248 0.000 1.432 302 F CA -1.188 56.458 58.000 -0.590 0.000 1.120 302 F CB 0.556 39.016 39.000 -0.901 0.000 1.253 302 F HN -0.286 nan 8.300 nan 0.000 0.546 303 D N 1.537 122.062 120.400 0.207 0.000 2.249 303 D HA 0.212 4.850 4.640 -0.003 0.000 0.246 303 D C 0.114 176.649 176.300 0.392 0.000 1.114 303 D CA -0.014 54.190 54.000 0.341 0.000 0.854 303 D CB 2.712 43.788 40.800 0.460 0.000 1.132 303 D HN -0.034 nan 8.370 nan 0.000 0.461 304 V N 3.211 123.330 119.914 0.341 0.000 2.479 304 V HA -0.004 4.114 4.120 -0.003 0.000 0.281 304 V C 0.844 176.937 176.094 -0.002 0.000 1.031 304 V CA -0.450 61.954 62.300 0.175 0.000 1.038 304 V CB 1.135 33.022 31.823 0.106 0.000 0.981 304 V HN 0.260 nan 8.190 nan 0.000 0.478 305 V N 9.164 128.978 119.914 -0.166 0.000 2.843 305 V HA 0.161 4.279 4.120 -0.003 0.000 0.305 305 V C -1.392 174.480 176.094 -0.371 0.000 1.065 305 V CA -0.944 61.087 62.300 -0.448 0.000 1.116 305 V CB 1.113 32.789 31.823 -0.246 0.000 0.968 305 V HN 0.807 nan 8.190 nan 0.000 0.487 306 P HA 0.153 nan 4.420 nan 0.000 0.274 306 P C -0.811 176.430 177.300 -0.099 0.000 1.237 306 P CA -0.628 62.295 63.100 -0.295 0.000 0.793 306 P CB 0.840 32.296 31.700 -0.406 0.000 0.977 307 L N 2.347 123.574 121.223 0.006 0.000 2.369 307 L HA 0.096 4.434 4.340 -0.003 0.000 0.279 307 L C -0.027 176.908 176.870 0.108 0.000 1.108 307 L CA -0.030 54.870 54.840 0.100 0.000 0.852 307 L CB 0.269 42.438 42.059 0.184 0.000 1.169 307 L HN 0.080 nan 8.230 nan 0.000 0.452 308 V N 7.026 127.028 119.914 0.147 0.000 2.270 308 V HA 0.283 4.401 4.120 -0.003 0.000 0.263 308 V C 0.272 176.336 176.094 -0.050 0.000 1.066 308 V CA -0.506 61.810 62.300 0.026 0.000 0.857 308 V CB 0.309 32.182 31.823 0.084 0.000 1.099 308 V HN 0.476 nan 8.190 nan 0.000 0.476 309 L N 4.296 125.493 121.223 -0.044 0.000 2.307 309 L HA 0.597 4.935 4.340 -0.003 0.000 0.282 309 L C 0.049 176.771 176.870 -0.246 0.000 1.051 309 L CA -0.220 54.572 54.840 -0.081 0.000 0.804 309 L CB 1.356 43.425 42.059 0.017 0.000 1.197 309 L HN 0.564 nan 8.230 nan 0.000 0.431 310 Q N 2.513 122.160 119.800 -0.256 0.000 2.325 310 Q HA 0.660 4.998 4.340 -0.003 0.000 0.270 310 Q C -1.350 174.439 176.000 -0.351 0.000 1.020 310 Q CA -0.679 54.940 55.803 -0.307 0.000 0.785 310 Q CB 2.128 30.732 28.738 -0.224 0.000 1.259 310 Q HN 0.777 nan 8.270 nan 0.000 0.452 311 A N 4.476 127.030 122.820 -0.443 0.000 2.271 311 A HA 0.358 4.676 4.320 -0.003 0.000 0.317 311 A C -0.270 176.786 177.584 -0.879 0.000 1.245 311 A CA -0.536 50.995 52.037 -0.845 0.000 0.857 311 A CB 0.396 19.139 19.000 -0.429 0.000 1.175 311 A HN 1.019 nan 8.150 nan 0.000 0.512 312 N N 1.924 119.734 118.700 -1.483 0.000 2.726 312 N HA -0.229 4.509 4.740 -0.003 0.000 0.287 312 N C 0.926 176.308 175.510 -0.215 0.000 1.052 312 N CA 1.978 54.697 53.050 -0.552 0.000 0.805 312 N CB -1.470 36.954 38.487 -0.104 0.000 0.944 312 N HN 2.279 nan 8.380 nan 0.000 0.574 313 G N 0.266 108.952 108.800 -0.191 0.000 2.353 313 G HA2 -0.440 3.518 3.960 -0.003 0.000 0.258 313 G HA3 -0.440 3.518 3.960 -0.003 0.000 0.258 313 G C 0.442 175.305 174.900 -0.062 0.000 1.013 313 G CA 0.785 45.815 45.100 -0.117 0.000 0.622 313 G HN 0.882 nan 8.290 nan 0.000 0.535 314 R N 1.204 121.631 120.500 -0.122 0.000 2.811 314 R HA 0.296 4.634 4.340 -0.003 0.000 0.265 314 R C -0.080 176.158 176.300 -0.102 0.000 1.026 314 R CA -0.002 56.047 56.100 -0.085 0.000 1.142 314 R CB 0.186 30.422 30.300 -0.107 0.000 1.027 314 R HN 0.265 nan 8.270 nan 0.000 0.465 315 D N 2.712 123.088 120.400 -0.040 0.000 2.423 315 D HA 0.045 4.683 4.640 -0.003 0.000 0.238 315 D C -1.929 174.200 176.300 -0.285 0.000 1.142 315 D CA -0.943 52.991 54.000 -0.109 0.000 0.884 315 D CB 0.285 41.142 40.800 0.096 0.000 1.199 315 D HN 0.275 nan 8.370 nan 0.000 0.438 316 P HA 0.138 nan 4.420 nan 0.000 0.272 316 P C -0.748 176.361 177.300 -0.318 0.000 1.223 316 P CA -0.186 62.545 63.100 -0.613 0.000 0.784 316 P CB 1.050 31.969 31.700 -1.302 0.000 0.923 317 E N 0.786 120.848 120.200 -0.230 0.000 2.266 317 E HA 0.439 4.787 4.350 -0.003 0.000 0.268 317 E C -0.512 175.934 176.600 -0.257 0.000 0.879 317 E CA -0.900 55.368 56.400 -0.220 0.000 0.762 317 E CB 1.628 31.216 29.700 -0.187 0.000 1.199 317 E HN 0.349 nan 8.360 nan 0.000 0.422 318 L N 2.379 123.374 121.223 -0.380 0.000 2.375 318 L HA 0.501 4.839 4.340 -0.003 0.000 0.271 318 L C -0.635 175.821 176.870 -0.690 0.000 1.107 318 L CA -0.232 54.403 54.840 -0.342 0.000 0.806 318 L CB 0.191 42.108 42.059 -0.237 0.000 1.146 318 L HN 0.453 nan 8.230 nan 0.000 0.447 319 F N 0.163 119.937 119.950 -0.293 0.000 2.581 319 F HA 0.291 4.817 4.527 -0.003 0.000 0.311 319 F C -0.040 175.547 175.800 -0.355 0.000 1.113 319 F CA -0.698 56.977 58.000 -0.543 0.000 0.935 319 F CB 1.992 40.399 39.000 -0.989 0.000 1.232 319 F HN 0.412 nan 8.300 nan 0.000 0.445 320 E N 4.357 124.481 120.200 -0.126 0.000 2.109 320 E HA 0.405 4.753 4.350 -0.003 0.000 0.278 320 E C -0.679 176.060 176.600 0.232 0.000 0.954 320 E CA -0.490 55.941 56.400 0.052 0.000 0.779 320 E CB 0.875 30.620 29.700 0.076 0.000 1.093 320 E HN 0.597 nan 8.360 nan 0.000 0.401 321 I N 6.636 127.366 120.570 0.267 0.000 2.662 321 I HA 0.012 4.180 4.170 -0.003 0.000 0.285 321 I C -1.940 174.297 176.117 0.200 0.000 1.161 321 I CA -1.552 59.925 61.300 0.295 0.000 1.415 321 I CB 0.168 38.247 38.000 0.132 0.000 1.385 321 I HN 0.367 nan 8.210 nan 0.000 0.552 322 P HA -0.011 nan 4.420 nan 0.000 0.260 322 P C -1.705 175.649 177.300 0.090 0.000 1.185 322 P CA -0.873 62.309 63.100 0.136 0.000 0.763 322 P CB 0.030 31.795 31.700 0.109 0.000 0.776 323 P HA -0.241 nan 4.420 nan 0.000 0.219 323 P C 0.538 177.872 177.300 0.056 0.000 1.144 323 P CA 1.451 64.596 63.100 0.074 0.000 0.806 323 P CB 0.116 31.863 31.700 0.080 0.000 0.771 324 D N -0.055 120.375 120.400 0.049 0.000 2.219 324 D HA -0.050 4.588 4.640 -0.003 0.000 0.205 324 D C 2.002 178.319 176.300 0.027 0.000 0.970 324 D CA 0.845 54.866 54.000 0.035 0.000 0.851 324 D CB -0.171 40.648 40.800 0.031 0.000 0.943 324 D HN 0.312 nan 8.370 nan 0.000 0.488 325 L N 0.789 122.027 121.223 0.025 0.000 2.509 325 L HA 0.051 4.389 4.340 -0.003 0.000 0.222 325 L C 0.543 177.421 176.870 0.013 0.000 1.123 325 L CA 0.175 55.023 54.840 0.012 0.000 0.856 325 L CB 0.380 42.436 42.059 -0.006 0.000 0.985 325 L HN -0.208 nan 8.230 nan 0.000 0.456 326 V N 2.307 122.235 119.914 0.024 0.000 2.320 326 V HA 0.141 4.259 4.120 -0.003 0.000 0.265 326 V C 0.032 176.153 176.094 0.046 0.000 1.048 326 V CA -0.434 61.881 62.300 0.025 0.000 0.865 326 V CB 1.266 33.104 31.823 0.026 0.000 1.043 326 V HN 0.050 nan 8.190 nan 0.000 0.474 327 L N 6.004 127.258 121.223 0.052 0.000 2.290 327 L HA 0.527 4.865 4.340 -0.003 0.000 0.284 327 L C 0.082 176.997 176.870 0.074 0.000 1.078 327 L CA 0.648 55.518 54.840 0.050 0.000 0.815 327 L CB 0.699 42.785 42.059 0.045 0.000 1.162 327 L HN 0.667 nan 8.230 nan 0.000 0.435 328 E N 3.150 123.371 120.200 0.036 0.000 2.359 328 E HA 0.650 4.998 4.350 -0.003 0.000 0.266 328 E C -1.516 175.030 176.600 -0.090 0.000 0.920 328 E CA -1.036 55.380 56.400 0.027 0.000 0.788 328 E CB 2.547 32.288 29.700 0.068 0.000 1.279 328 E HN 0.359 nan 8.360 nan 0.000 0.438 329 V N 1.447 121.264 119.914 -0.161 0.000 2.443 329 V HA 0.461 4.579 4.120 -0.003 0.000 0.293 329 V C -0.473 175.534 176.094 -0.144 0.000 1.021 329 V CA -0.808 61.317 62.300 -0.292 0.000 0.848 329 V CB 1.428 32.774 31.823 -0.795 0.000 0.998 329 V HN 0.792 nan 8.190 nan 0.000 0.424 330 A N 7.031 129.791 122.820 -0.101 0.000 2.409 330 A HA 0.648 4.966 4.320 -0.003 0.000 0.267 330 A C 0.196 177.793 177.584 0.021 0.000 1.127 330 A CA -0.357 51.658 52.037 -0.036 0.000 0.795 330 A CB 0.103 19.088 19.000 -0.025 0.000 1.061 330 A HN 0.705 nan 8.150 nan 0.000 0.502 331 M N 2.544 122.214 119.600 0.117 0.000 2.228 331 M HA 0.290 4.768 4.480 -0.003 0.000 0.351 331 M C 0.374 176.848 176.300 0.291 0.000 1.233 331 M CA 0.569 56.014 55.300 0.241 0.000 1.129 331 M CB -0.186 32.677 32.600 0.438 0.000 1.604 331 M HN 0.885 nan 8.290 nan 0.000 0.457 332 E N 1.060 121.383 120.200 0.205 0.000 2.375 332 E HA 0.377 4.725 4.350 -0.003 0.000 0.280 332 E C -1.434 175.165 176.600 -0.001 0.000 0.972 332 E CA -0.886 55.631 56.400 0.195 0.000 0.782 332 E CB 1.699 31.494 29.700 0.159 0.000 1.229 332 E HN 0.646 nan 8.360 nan 0.000 0.439 333 H N 2.431 121.359 119.070 -0.237 0.000 2.467 333 H HA 0.250 4.804 4.556 -0.003 0.000 0.331 333 H C -1.680 173.389 175.328 -0.432 0.000 1.120 333 H CA -2.181 53.594 56.048 -0.455 0.000 1.270 333 H CB 1.957 31.350 29.762 -0.615 0.000 1.466 333 H HN 0.456 nan 8.280 nan 0.000 0.504 334 P HA -0.020 nan 4.420 nan 0.000 0.234 334 P C 0.342 177.456 177.300 -0.311 0.000 1.167 334 P CA 0.953 63.595 63.100 -0.764 0.000 0.763 334 P CB 0.797 31.896 31.700 -1.002 0.000 0.835 335 K N -1.673 118.674 120.400 -0.088 0.000 2.585 335 K HA 0.110 4.428 4.320 -0.003 0.000 0.198 335 K C 0.120 176.590 176.600 -0.217 0.000 1.403 335 K CA 0.177 56.343 56.287 -0.203 0.000 1.021 335 K CB 0.161 32.424 32.500 -0.395 0.000 1.558 335 K HN 0.015 nan 8.250 nan 0.000 0.524 336 Y N 3.610 123.737 120.300 -0.288 0.000 2.613 336 Y HA 0.138 4.686 4.550 -0.003 0.000 0.354 336 Y C 1.105 176.705 175.900 -0.499 0.000 1.063 336 Y CA -0.464 57.245 58.100 -0.652 0.000 1.384 336 Y CB -0.091 37.534 38.460 -1.392 0.000 1.199 336 Y HN 0.139 nan 8.280 nan 0.000 0.517 337 E N 2.789 122.938 120.200 -0.086 0.000 2.338 337 E HA -0.172 4.176 4.350 -0.003 0.000 0.197 337 E C 1.353 178.005 176.600 0.087 0.000 1.007 337 E CA 0.961 57.374 56.400 0.022 0.000 0.849 337 E CB -0.081 29.664 29.700 0.075 0.000 0.774 337 E HN 0.888 nan 8.360 nan 0.000 0.506 338 W N -0.250 121.158 121.300 0.181 0.000 2.699 338 W HA -0.024 4.634 4.660 -0.003 0.000 0.249 338 W C 1.206 177.801 176.519 0.127 0.000 1.280 338 W CA -0.236 57.176 57.345 0.112 0.000 1.345 338 W CB -0.714 28.774 29.460 0.047 0.000 1.128 338 W HN -0.043 nan 8.180 nan 0.000 0.642 339 F N 2.756 122.571 119.950 -0.225 0.000 2.171 339 F HA -0.123 4.402 4.527 -0.003 0.000 0.300 339 F C 2.696 178.541 175.800 0.074 0.000 1.090 339 F CA 2.073 59.997 58.000 -0.126 0.000 1.293 339 F CB -0.263 38.582 39.000 -0.258 0.000 1.013 339 F HN -0.265 nan 8.300 nan 0.000 0.486 340 R N 0.154 120.789 120.500 0.226 0.000 2.127 340 R HA -0.174 4.164 4.340 -0.003 0.000 0.238 340 R C 1.962 178.326 176.300 0.106 0.000 1.134 340 R CA 1.602 57.799 56.100 0.162 0.000 0.975 340 R CB -0.529 29.852 30.300 0.134 0.000 0.865 340 R HN 0.432 nan 8.270 nan 0.000 0.447 341 E N 0.778 121.054 120.200 0.127 0.000 2.204 341 E HA -0.166 4.182 4.350 -0.003 0.000 0.195 341 E C 1.833 178.463 176.600 0.051 0.000 0.990 341 E CA 0.814 57.275 56.400 0.102 0.000 0.821 341 E CB -0.087 29.698 29.700 0.141 0.000 0.750 341 E HN 0.366 nan 8.360 nan 0.000 0.477 342 L N 0.724 121.945 121.223 -0.004 0.000 2.362 342 L HA -0.096 4.242 4.340 -0.003 0.000 0.219 342 L C 0.335 177.198 176.870 -0.011 0.000 1.134 342 L CA 0.571 55.367 54.840 -0.074 0.000 0.807 342 L CB -0.519 41.364 42.059 -0.294 0.000 0.927 342 L HN 0.128 nan 8.230 nan 0.000 0.447 343 E N 0.817 121.031 120.200 0.023 0.000 2.228 343 E HA -0.215 4.133 4.350 -0.003 0.000 0.213 343 E C -0.405 176.244 176.600 0.081 0.000 1.282 343 E CA 0.067 56.507 56.400 0.065 0.000 0.707 343 E CB -1.479 28.279 29.700 0.096 0.000 1.150 343 E HN 0.443 nan 8.360 nan 0.000 0.362 344 L N 0.542 121.770 121.223 0.008 0.000 2.387 344 L HA 0.634 4.972 4.340 -0.003 0.000 0.266 344 L C 0.492 177.270 176.870 -0.153 0.000 1.059 344 L CA -0.383 54.418 54.840 -0.065 0.000 0.801 344 L CB 1.296 43.287 42.059 -0.113 0.000 1.223 344 L HN 0.206 nan 8.230 nan 0.000 0.456 345 K N -0.285 119.917 120.400 -0.332 0.000 2.711 345 K HA 0.420 4.739 4.320 -0.003 0.000 0.294 345 K C -2.167 174.482 176.600 0.081 0.000 1.037 345 K CA -1.067 55.117 56.287 -0.171 0.000 0.858 345 K CB 1.797 34.103 32.500 -0.325 0.000 1.521 345 K HN 0.593 nan 8.250 nan 0.000 0.386 346 W N 1.728 123.002 121.300 -0.044 0.000 3.146 346 W HA 0.344 5.002 4.660 -0.003 0.000 0.319 346 W C -1.305 175.262 176.519 0.081 0.000 1.258 346 W CA -0.785 56.593 57.345 0.055 0.000 1.189 346 W CB 1.603 30.963 29.460 -0.167 0.000 1.412 346 W HN 0.698 nan 8.180 nan 0.000 0.567 347 Y N 0.887 121.097 120.300 -0.149 0.000 2.300 347 Y HA 0.569 5.117 4.550 -0.003 0.000 0.328 347 Y C 0.754 176.864 175.900 0.349 0.000 1.270 347 Y CA 0.100 58.198 58.100 -0.004 0.000 1.352 347 Y CB 0.209 38.531 38.460 -0.230 0.000 1.286 347 Y HN 0.329 nan 8.280 nan 0.000 0.536 348 A N 1.718 124.791 122.820 0.421 0.000 2.030 348 A HA 0.124 4.442 4.320 -0.003 0.000 0.215 348 A C 0.419 178.274 177.584 0.452 0.000 1.164 348 A CA 0.172 52.518 52.037 0.516 0.000 0.697 348 A CB -0.239 18.945 19.000 0.307 0.000 0.827 348 A HN 0.655 nan 8.150 nan 0.000 0.457 349 L N 2.056 123.490 121.223 0.351 0.000 2.255 349 L HA 0.391 4.729 4.340 -0.003 0.000 0.289 349 L C -2.469 174.438 176.870 0.062 0.000 1.046 349 L CA -2.057 52.872 54.840 0.148 0.000 0.816 349 L CB 1.462 43.565 42.059 0.074 0.000 1.197 349 L HN -0.018 nan 8.230 nan 0.000 0.427 350 P HA 0.269 nan 4.420 nan 0.000 0.258 350 P C -1.247 175.904 177.300 -0.248 0.000 1.647 350 P CA -0.304 62.574 63.100 -0.371 0.000 1.099 350 P CB 1.012 32.167 31.700 -0.909 0.000 1.604 351 A N 4.527 127.216 122.820 -0.219 0.000 2.511 351 A HA 0.376 4.694 4.320 -0.003 0.000 0.340 351 A C 0.160 177.492 177.584 -0.420 0.000 1.396 351 A CA -0.658 51.184 52.037 -0.326 0.000 0.887 351 A CB 0.385 19.185 19.000 -0.334 0.000 1.145 351 A HN 0.285 nan 8.150 nan 0.000 0.497 352 V N 1.963 121.505 119.914 -0.620 0.000 2.540 352 V HA 0.221 4.339 4.120 -0.003 0.000 0.297 352 V C 1.285 176.958 176.094 -0.702 0.000 1.024 352 V CA 1.286 63.189 62.300 -0.661 0.000 1.105 352 V CB 0.842 32.156 31.823 -0.848 0.000 0.938 352 V HN 0.988 nan 8.190 nan 0.000 0.482 353 A N 4.217 126.816 122.820 -0.368 0.000 2.419 353 A HA 0.165 4.483 4.320 -0.003 0.000 0.233 353 A C 1.345 178.890 177.584 -0.065 0.000 1.217 353 A CA 0.265 52.174 52.037 -0.213 0.000 0.944 353 A CB -0.037 18.885 19.000 -0.130 0.000 1.025 353 A HN 0.823 nan 8.150 nan 0.000 0.524 354 N N -0.511 118.155 118.700 -0.058 0.000 2.235 354 N HA 0.196 4.934 4.740 -0.003 0.000 0.209 354 N C 0.208 175.762 175.510 0.073 0.000 1.122 354 N CA -0.091 52.976 53.050 0.028 0.000 0.845 354 N CB -0.364 38.133 38.487 0.016 0.000 1.004 354 N HN 0.385 nan 8.380 nan 0.000 0.499 355 M N 0.407 120.053 119.600 0.078 0.000 2.197 355 M HA 0.306 4.784 4.480 -0.003 0.000 0.305 355 M C -0.304 176.136 176.300 0.233 0.000 1.162 355 M CA -0.703 54.700 55.300 0.172 0.000 1.099 355 M CB 1.514 34.225 32.600 0.186 0.000 1.430 355 M HN 0.088 nan 8.290 nan 0.000 0.481 356 L N 2.165 123.557 121.223 0.282 0.000 2.341 356 L HA 0.533 4.871 4.340 -0.003 0.000 0.278 356 L C -1.529 175.554 176.870 0.355 0.000 1.005 356 L CA -1.014 54.006 54.840 0.300 0.000 0.818 356 L CB 1.468 43.670 42.059 0.238 0.000 1.259 356 L HN 0.554 nan 8.230 nan 0.000 0.418 357 L N 4.987 126.410 121.223 0.333 0.000 2.265 357 L HA 0.425 4.764 4.340 -0.003 0.000 0.288 357 L C -0.329 176.683 176.870 0.236 0.000 1.058 357 L CA 0.371 55.319 54.840 0.179 0.000 0.809 357 L CB 1.024 43.128 42.059 0.075 0.000 1.179 357 L HN 0.639 nan 8.230 nan 0.000 0.429 358 E N 5.219 125.528 120.200 0.182 0.000 2.113 358 E HA 0.405 4.753 4.350 -0.003 0.000 0.273 358 E C -1.840 174.807 176.600 0.077 0.000 0.924 358 E CA -0.428 56.096 56.400 0.206 0.000 0.764 358 E CB 1.379 31.312 29.700 0.388 0.000 1.104 358 E HN 0.482 nan 8.360 nan 0.000 0.406 359 V N 3.094 123.026 119.914 0.031 0.000 2.447 359 V HA 0.356 4.474 4.120 -0.003 0.000 0.292 359 V C 0.760 176.746 176.094 -0.180 0.000 1.021 359 V CA -0.357 61.836 62.300 -0.178 0.000 0.850 359 V CB 1.396 33.015 31.823 -0.339 0.000 1.005 359 V HN 0.877 nan 8.190 nan 0.000 0.426 360 G N 3.428 112.182 108.800 -0.077 0.000 2.421 360 G HA2 0.068 4.026 3.960 -0.003 0.000 0.300 360 G HA3 0.068 4.026 3.960 -0.003 0.000 0.300 360 G C 1.287 176.287 174.900 0.168 0.000 0.974 360 G CA 1.156 46.336 45.100 0.134 0.000 1.062 360 G HN 2.318 nan 8.290 nan 0.000 0.514 361 G N -1.807 107.053 108.800 0.099 0.000 2.268 361 G HA2 -0.252 3.706 3.960 -0.003 0.000 0.240 361 G HA3 -0.252 3.706 3.960 -0.003 0.000 0.240 361 G C 0.640 175.551 174.900 0.020 0.000 1.010 361 G CA 0.414 45.561 45.100 0.077 0.000 0.618 361 G HN 1.263 nan 8.290 nan 0.000 0.516 362 L N 0.844 122.054 121.223 -0.021 0.000 2.436 362 L HA 0.579 4.917 4.340 -0.003 0.000 0.265 362 L C 0.419 177.227 176.870 -0.104 0.000 1.168 362 L CA -0.075 54.675 54.840 -0.150 0.000 0.815 362 L CB 0.739 42.634 42.059 -0.274 0.000 1.109 362 L HN 0.234 nan 8.230 nan 0.000 0.462 363 E N 1.792 121.851 120.200 -0.234 0.000 2.224 363 E HA 0.380 4.728 4.350 -0.003 0.000 0.265 363 E C -1.592 174.862 176.600 -0.243 0.000 0.878 363 E CA -0.436 55.904 56.400 -0.100 0.000 0.759 363 E CB 1.940 31.604 29.700 -0.060 0.000 1.164 363 E HN 0.253 nan 8.360 nan 0.000 0.414 364 F N 3.876 123.846 119.950 0.033 0.000 2.359 364 F HA 0.257 4.782 4.527 -0.004 0.000 0.370 364 F C -1.471 174.403 175.800 0.124 0.000 1.077 364 F CA -2.139 55.901 58.000 0.068 0.000 1.136 364 F CB 1.255 40.282 39.000 0.045 0.000 1.387 364 F HN 0.335 nan 8.300 nan 0.000 0.468 365 P HA -0.002 nan 4.420 nan 0.000 0.230 365 P C 0.556 178.017 177.300 0.270 0.000 1.158 365 P CA 0.669 63.897 63.100 0.213 0.000 0.769 365 P CB 0.558 32.347 31.700 0.147 0.000 0.807 366 G N 0.401 109.418 108.800 0.362 0.000 2.866 366 G HA2 0.431 4.389 3.960 -0.003 0.000 0.318 366 G HA3 0.431 4.389 3.960 -0.003 0.000 0.318 366 G C -0.367 174.785 174.900 0.420 0.000 1.336 366 G CA -0.382 44.999 45.100 0.468 0.000 1.067 366 G HN 0.274 nan 8.290 nan 0.000 0.515 367 C N 1.593 121.055 119.300 0.269 0.000 3.392 367 C HA 0.476 4.934 4.460 -0.003 0.000 0.217 367 C C -2.511 172.546 174.990 0.112 0.000 1.222 367 C CA -2.161 56.941 59.018 0.140 0.000 1.200 367 C CB 0.617 28.476 27.740 0.199 0.000 1.818 367 C HN 0.493 nan 8.230 nan 0.000 0.586 368 P HA 0.345 nan 4.420 nan 0.000 0.267 368 P C -0.569 176.744 177.300 0.021 0.000 1.205 368 P CA 0.877 63.919 63.100 -0.096 0.000 0.765 368 P CB 0.534 32.176 31.700 -0.097 0.000 0.828 369 F N 1.080 120.958 119.950 -0.119 0.000 2.620 369 F HA 0.717 5.242 4.527 -0.003 0.000 0.320 369 F C -0.565 175.121 175.800 -0.190 0.000 1.069 369 F CA -1.144 56.783 58.000 -0.123 0.000 0.953 369 F CB 1.734 40.519 39.000 -0.359 0.000 1.322 369 F HN 0.362 nan 8.300 nan 0.000 0.479 370 N N -0.325 118.452 118.700 0.129 0.000 2.732 370 N HA 0.738 5.476 4.740 -0.003 0.000 0.259 370 N C -1.298 174.137 175.510 -0.124 0.000 1.402 370 N CA -0.396 52.635 53.050 -0.032 0.000 0.829 370 N CB 1.828 40.307 38.487 -0.013 0.000 1.495 370 N HN 1.113 nan 8.380 nan 0.000 0.511 371 G N -1.071 107.608 108.800 -0.203 0.000 3.003 371 G HA2 0.647 4.605 3.960 -0.003 0.000 0.243 371 G HA3 0.647 4.605 3.960 -0.003 0.000 0.243 371 G C -1.937 172.875 174.900 -0.147 0.000 1.176 371 G CA -0.710 44.182 45.100 -0.347 0.000 0.812 371 G HN 0.697 nan 8.290 nan 0.000 0.584 372 W N -1.360 119.910 121.300 -0.049 0.000 2.820 372 W HA 0.834 5.492 4.660 -0.003 0.000 0.350 372 W C -1.323 175.163 176.519 -0.055 0.000 1.116 372 W CA -2.131 55.191 57.345 -0.039 0.000 1.146 372 W CB 0.381 29.857 29.460 0.026 0.000 1.433 372 W HN 0.416 nan 8.180 nan 0.000 0.561 373 Y N 2.162 122.612 120.300 0.249 0.000 2.357 373 Y HA 0.278 4.826 4.550 -0.003 0.000 0.340 373 Y C 0.655 176.592 175.900 0.061 0.000 1.260 373 Y CA -0.872 57.258 58.100 0.051 0.000 1.425 373 Y CB 1.049 39.431 38.460 -0.130 0.000 1.326 373 Y HN 0.447 nan 8.280 nan 0.000 0.580 374 M N 1.727 121.458 119.600 0.217 0.000 2.167 374 M HA 0.376 4.854 4.480 -0.003 0.000 0.333 374 M C 1.034 177.283 176.300 -0.084 0.000 1.030 374 M CA -0.188 55.159 55.300 0.078 0.000 0.963 374 M CB 1.364 34.001 32.600 0.060 0.000 1.589 374 M HN 0.826 nan 8.290 nan 0.000 0.431 375 G N 1.921 110.638 108.800 -0.138 0.000 2.679 375 G HA2 -0.377 3.581 3.960 -0.003 0.000 0.222 375 G HA3 -0.377 3.581 3.960 -0.003 0.000 0.222 375 G C 1.153 175.878 174.900 -0.293 0.000 1.164 375 G CA 2.116 47.069 45.100 -0.245 0.000 0.769 375 G HN 0.887 nan 8.290 nan 0.000 0.610 376 T N -0.982 113.421 114.554 -0.252 0.000 2.849 376 T HA -0.064 4.284 4.350 -0.003 0.000 0.270 376 T C 1.949 176.458 174.700 -0.318 0.000 1.066 376 T CA 1.767 63.674 62.100 -0.321 0.000 1.130 376 T CB -0.343 68.279 68.868 -0.409 0.000 0.864 376 T HN 0.568 nan 8.240 nan 0.000 0.481 377 E N 0.899 120.925 120.200 -0.290 0.000 2.085 377 E HA -0.083 4.265 4.350 -0.003 0.000 0.194 377 E C 2.131 178.431 176.600 -0.501 0.000 0.994 377 E CA 1.614 57.845 56.400 -0.282 0.000 0.801 377 E CB -0.309 29.333 29.700 -0.097 0.000 0.743 377 E HN 0.624 nan 8.360 nan 0.000 0.453 378 I N 0.110 120.213 120.570 -0.777 0.000 2.296 378 I HA -0.053 4.115 4.170 -0.003 0.000 0.242 378 I C 2.617 178.144 176.117 -0.983 0.000 1.087 378 I CA 0.866 61.434 61.300 -1.221 0.000 1.393 378 I CB -0.597 36.536 38.000 -1.445 0.000 1.093 378 I HN 0.103 nan 8.210 nan 0.000 0.421 379 G N 1.027 109.474 108.800 -0.588 0.000 2.421 379 G HA2 -0.151 3.807 3.960 -0.003 0.000 0.216 379 G HA3 -0.151 3.807 3.960 -0.003 0.000 0.216 379 G C 1.644 176.480 174.900 -0.106 0.000 1.171 379 G CA 1.211 46.174 45.100 -0.229 0.000 0.775 379 G HN 0.221 nan 8.290 nan 0.000 0.543 380 V N 0.549 120.350 119.914 -0.189 0.000 2.300 380 V HA 0.021 4.139 4.120 -0.003 0.000 0.241 380 V C 2.860 178.882 176.094 -0.119 0.000 1.034 380 V CA 1.261 63.479 62.300 -0.136 0.000 1.021 380 V CB -0.453 31.256 31.823 -0.191 0.000 0.662 380 V HN 0.125 nan 8.190 nan 0.000 0.458 381 R N 0.928 121.317 120.500 -0.185 0.000 2.065 381 R HA -0.053 4.285 4.340 -0.003 0.000 0.224 381 R C 2.017 178.255 176.300 -0.104 0.000 1.161 381 R CA 1.607 57.621 56.100 -0.143 0.000 0.923 381 R CB -1.386 28.814 30.300 -0.168 0.000 0.822 381 R HN 0.461 nan 8.270 nan 0.000 0.437 382 D N 0.421 120.671 120.400 -0.250 0.000 2.190 382 D HA -0.154 4.484 4.640 -0.003 0.000 0.200 382 D C 1.771 178.111 176.300 0.065 0.000 0.992 382 D CA 1.127 54.981 54.000 -0.244 0.000 0.854 382 D CB -0.150 40.080 40.800 -0.949 0.000 0.936 382 D HN 0.111 nan 8.370 nan 0.000 0.462 383 F N -0.243 119.621 119.950 -0.142 0.000 2.374 383 F HA 0.090 4.615 4.527 -0.003 0.000 0.291 383 F C 2.117 177.961 175.800 0.073 0.000 1.084 383 F CA -0.321 57.679 58.000 -0.001 0.000 1.413 383 F CB -0.396 38.574 39.000 -0.051 0.000 1.099 383 F HN -0.012 nan 8.300 nan 0.000 0.534 384 C N -0.669 118.758 119.300 0.212 0.000 3.038 384 C HA 0.236 4.694 4.460 -0.003 0.000 0.279 384 C C 0.346 175.383 174.990 0.079 0.000 1.276 384 C CA -0.731 58.363 59.018 0.127 0.000 1.697 384 C CB -0.898 26.886 27.740 0.073 0.000 2.032 384 C HN 0.044 nan 8.230 nan 0.000 0.636 385 D N 0.796 121.245 120.400 0.082 0.000 2.382 385 D HA 0.131 4.769 4.640 -0.003 0.000 0.245 385 D C 1.180 177.522 176.300 0.070 0.000 1.120 385 D CA 0.163 54.194 54.000 0.051 0.000 0.890 385 D CB 1.310 42.138 40.800 0.045 0.000 1.201 385 D HN -0.060 nan 8.370 nan 0.000 0.433 386 V N 2.099 122.041 119.914 0.048 0.000 2.515 386 V HA -0.200 3.918 4.120 -0.003 0.000 0.250 386 V C 2.054 178.178 176.094 0.050 0.000 1.058 386 V CA 1.419 63.750 62.300 0.051 0.000 1.064 386 V CB -0.520 31.327 31.823 0.040 0.000 0.675 386 V HN 0.628 nan 8.190 nan 0.000 0.461 387 Q N -0.315 119.513 119.800 0.047 0.000 2.322 387 Q HA 0.090 4.428 4.340 -0.003 0.000 0.203 387 Q C 0.843 176.874 176.000 0.051 0.000 0.923 387 Q CA 0.247 56.076 55.803 0.044 0.000 0.949 387 Q CB 0.321 29.085 28.738 0.043 0.000 1.039 387 Q HN 0.440 nan 8.270 nan 0.000 0.496 388 R N -0.548 119.995 120.500 0.071 0.000 3.361 388 R HA 0.266 4.604 4.340 -0.003 0.000 0.188 388 R C 1.217 177.559 176.300 0.070 0.000 1.441 388 R CA -0.594 55.567 56.100 0.102 0.000 0.810 388 R CB -1.049 29.376 30.300 0.209 0.000 1.658 388 R HN 0.027 nan 8.270 nan 0.000 0.483 389 Y N 1.572 122.006 120.300 0.224 0.000 2.421 389 Y HA -0.039 4.509 4.550 -0.003 0.000 0.292 389 Y C 0.676 176.655 175.900 0.133 0.000 1.136 389 Y CA 1.321 59.548 58.100 0.213 0.000 1.255 389 Y CB -0.351 38.313 38.460 0.341 0.000 0.991 389 Y HN 0.576 nan 8.280 nan 0.000 0.552 390 N N 0.981 119.825 118.700 0.239 0.000 2.669 390 N HA -0.223 4.515 4.740 -0.003 0.000 0.266 390 N C 0.408 176.001 175.510 0.138 0.000 1.024 390 N CA 0.298 53.441 53.050 0.154 0.000 0.766 390 N CB -0.901 37.648 38.487 0.103 0.000 0.898 390 N HN 0.618 nan 8.380 nan 0.000 0.548 391 I N -1.995 118.656 120.570 0.135 0.000 3.928 391 I HA 0.089 4.257 4.170 -0.003 0.000 0.335 391 I C 1.567 177.742 176.117 0.096 0.000 1.325 391 I CA -0.482 60.863 61.300 0.075 0.000 1.107 391 I CB 0.061 38.044 38.000 -0.028 0.000 1.014 391 I HN 0.220 nan 8.210 nan 0.000 0.400 392 L N 1.821 123.121 121.223 0.128 0.000 2.012 392 L HA -0.186 4.152 4.340 -0.003 0.000 0.210 392 L C 2.507 179.540 176.870 0.271 0.000 1.073 392 L CA 2.230 57.170 54.840 0.167 0.000 0.748 392 L CB -0.575 41.545 42.059 0.101 0.000 0.891 392 L HN 0.473 nan 8.230 nan 0.000 0.431 393 E N -0.800 119.553 120.200 0.255 0.000 2.077 393 E HA -0.288 4.060 4.350 -0.003 0.000 0.193 393 E C 2.149 178.778 176.600 0.049 0.000 0.989 393 E CA 1.325 57.863 56.400 0.229 0.000 0.800 393 E CB -0.161 29.618 29.700 0.132 0.000 0.746 393 E HN 0.611 nan 8.360 nan 0.000 0.452 394 E N -0.355 119.860 120.200 0.025 0.000 2.118 394 E HA -0.194 4.154 4.350 -0.003 0.000 0.195 394 E C 1.963 178.513 176.600 -0.084 0.000 0.992 394 E CA 1.485 57.853 56.400 -0.053 0.000 0.804 394 E CB 0.156 29.830 29.700 -0.042 0.000 0.741 394 E HN 0.188 nan 8.360 nan 0.000 0.458 395 V N 0.240 120.174 119.914 0.034 0.000 2.379 395 V HA -0.141 3.977 4.120 -0.003 0.000 0.245 395 V C 2.388 178.518 176.094 0.062 0.000 1.044 395 V CA 1.746 64.116 62.300 0.117 0.000 1.036 395 V CB -0.816 31.183 31.823 0.294 0.000 0.664 395 V HN 0.477 nan 8.190 nan 0.000 0.453 396 G N -0.075 108.807 108.800 0.137 0.000 2.422 396 G HA2 -0.215 3.743 3.960 -0.003 0.000 0.218 396 G HA3 -0.215 3.743 3.960 -0.003 0.000 0.218 396 G C 1.772 176.563 174.900 -0.182 0.000 1.146 396 G CA 0.565 45.728 45.100 0.105 0.000 0.769 396 G HN 0.430 nan 8.290 nan 0.000 0.547 397 R N -0.312 120.030 120.500 -0.265 0.000 2.062 397 R HA 0.062 4.400 4.340 -0.003 0.000 0.229 397 R C 2.711 178.771 176.300 -0.400 0.000 1.128 397 R CA 0.609 56.512 56.100 -0.328 0.000 0.960 397 R CB -0.257 29.868 30.300 -0.293 0.000 0.855 397 R HN 0.103 nan 8.270 nan 0.000 0.432 398 R N 0.645 120.809 120.500 -0.559 0.000 2.152 398 R HA -0.040 4.298 4.340 -0.003 0.000 0.232 398 R C 1.972 177.679 176.300 -0.988 0.000 1.117 398 R CA 1.243 56.720 56.100 -1.037 0.000 0.981 398 R CB -0.290 28.913 30.300 -1.828 0.000 0.870 398 R HN 0.337 nan 8.270 nan 0.000 0.451 399 M N -0.711 118.572 119.600 -0.528 0.000 2.595 399 M HA 0.101 4.579 4.480 -0.003 0.000 0.248 399 M C 0.740 176.923 176.300 -0.195 0.000 1.119 399 M CA 0.782 55.927 55.300 -0.258 0.000 1.079 399 M CB 0.266 32.820 32.600 -0.077 0.000 1.472 399 M HN 0.308 nan 8.290 nan 0.000 0.501 400 G N 2.105 110.762 108.800 -0.239 0.000 2.221 400 G HA2 -0.235 3.723 3.960 -0.003 0.000 0.265 400 G HA3 -0.235 3.723 3.960 -0.003 0.000 0.265 400 G C -0.103 174.720 174.900 -0.128 0.000 1.041 400 G CA -0.103 44.891 45.100 -0.178 0.000 0.807 400 G HN 0.392 nan 8.290 nan 0.000 0.502 401 L N -0.952 120.188 121.223 -0.137 0.000 2.469 401 L HA 0.471 4.809 4.340 -0.003 0.000 0.253 401 L C 0.965 177.708 176.870 -0.212 0.000 1.143 401 L CA -0.858 53.928 54.840 -0.090 0.000 0.804 401 L CB 0.521 42.599 42.059 0.032 0.000 1.214 401 L HN 0.170 nan 8.230 nan 0.000 0.476 402 E N 0.090 120.190 120.200 -0.166 0.000 1.802 402 E HA 0.018 4.366 4.350 -0.003 0.000 0.265 402 E C 0.571 176.812 176.600 -0.598 0.000 1.168 402 E CA -0.056 56.204 56.400 -0.234 0.000 1.033 402 E CB 0.159 29.823 29.700 -0.060 0.000 1.095 402 E HN 0.627 nan 8.360 nan 0.000 0.436 403 T N -1.733 112.218 114.554 -1.005 0.000 3.155 403 T HA -0.117 4.232 4.350 -0.003 0.000 0.264 403 T C 0.937 174.955 174.700 -1.137 0.000 1.160 403 T CA 0.972 61.976 62.100 -1.825 0.000 1.075 403 T CB -0.186 67.728 68.868 -1.590 0.000 0.921 403 T HN 0.462 nan 8.240 nan 0.000 0.533 404 H N -0.267 118.580 119.070 -0.373 0.000 2.545 404 H HA 0.385 4.939 4.556 -0.003 0.000 0.283 404 H C 0.989 176.324 175.328 0.012 0.000 0.997 404 H CA -0.066 55.911 56.048 -0.119 0.000 1.269 404 H CB 0.489 30.188 29.762 -0.105 0.000 1.451 404 H HN 0.199 nan 8.280 nan 0.000 0.508 405 K N 2.040 122.507 120.400 0.112 0.000 2.183 405 K HA 0.022 4.340 4.320 -0.003 0.000 0.272 405 K C 0.348 177.104 176.600 0.260 0.000 1.113 405 K CA -0.166 56.210 56.287 0.149 0.000 0.949 405 K CB 0.355 32.916 32.500 0.102 0.000 1.365 405 K HN 0.090 nan 8.250 nan 0.000 0.420 406 L N 4.082 125.468 121.223 0.272 0.000 2.051 406 L HA -0.220 4.118 4.340 -0.003 0.000 0.214 406 L C 2.062 179.039 176.870 0.178 0.000 1.076 406 L CA 2.181 57.185 54.840 0.274 0.000 0.758 406 L CB -0.515 41.641 42.059 0.162 0.000 0.890 406 L HN 0.786 nan 8.230 nan 0.000 0.433 407 A N -1.560 121.340 122.820 0.134 0.000 2.225 407 A HA -0.136 4.182 4.320 -0.003 0.000 0.215 407 A C 2.328 179.975 177.584 0.105 0.000 1.164 407 A CA 1.302 53.394 52.037 0.092 0.000 0.710 407 A CB -0.783 18.260 19.000 0.072 0.000 0.780 407 A HN 0.600 nan 8.150 nan 0.000 0.473 408 S N -0.655 115.144 115.700 0.165 0.000 2.481 408 S HA 0.083 4.551 4.470 -0.003 0.000 0.231 408 S C 0.909 175.601 174.600 0.153 0.000 0.996 408 S CA 0.692 58.990 58.200 0.164 0.000 0.942 408 S CB -0.605 62.720 63.200 0.209 0.000 0.768 408 S HN 0.849 nan 8.310 nan 0.000 0.520 409 L N 0.473 121.770 121.223 0.124 0.000 4.089 409 L HA -0.160 4.178 4.340 -0.003 0.000 0.408 409 L C 1.595 178.492 176.870 0.045 0.000 1.184 409 L CA 0.764 55.620 54.840 0.027 0.000 0.947 409 L CB -2.587 39.489 42.059 0.030 0.000 2.066 409 L HN 0.773 nan 8.230 nan 0.000 0.851 410 W N 0.436 121.744 121.300 0.014 0.000 2.363 410 W HA -0.160 4.498 4.660 -0.003 0.000 0.296 410 W C 1.679 178.209 176.519 0.019 0.000 1.212 410 W CA 1.383 58.734 57.345 0.010 0.000 1.260 410 W CB -0.719 28.732 29.460 -0.015 0.000 1.131 410 W HN 0.250 nan 8.180 nan 0.000 0.530 411 K N 0.991 120.840 120.400 -0.918 0.000 2.097 411 K HA -0.173 4.145 4.320 -0.003 0.000 0.206 411 K C 1.442 177.846 176.600 -0.326 0.000 1.049 411 K CA 2.368 58.107 56.287 -0.914 0.000 0.933 411 K CB -0.304 31.594 32.500 -1.004 0.000 0.717 411 K HN 0.138 nan 8.250 nan 0.000 0.442 412 D N 0.307 120.587 120.400 -0.199 0.000 2.194 412 D HA -0.102 4.536 4.640 -0.003 0.000 0.204 412 D C 1.908 178.210 176.300 0.004 0.000 0.964 412 D CA 0.797 54.750 54.000 -0.079 0.000 0.846 412 D CB 0.120 40.888 40.800 -0.054 0.000 0.962 412 D HN 0.204 nan 8.370 nan 0.000 0.490 413 Q N 0.522 120.351 119.800 0.049 0.000 2.049 413 Q HA -0.030 4.308 4.340 -0.003 0.000 0.198 413 Q C 2.354 178.445 176.000 0.152 0.000 0.971 413 Q CA 1.165 57.037 55.803 0.114 0.000 0.833 413 Q CB -0.178 28.649 28.738 0.148 0.000 0.896 413 Q HN 0.277 nan 8.270 nan 0.000 0.434 414 A N 0.921 123.839 122.820 0.164 0.000 1.865 414 A HA -0.184 4.134 4.320 -0.003 0.000 0.217 414 A C 2.310 180.001 177.584 0.178 0.000 1.191 414 A CA 1.700 53.866 52.037 0.215 0.000 0.623 414 A CB -1.159 17.986 19.000 0.242 0.000 0.826 414 A HN 0.267 nan 8.150 nan 0.000 0.444 415 V N -0.251 119.716 119.914 0.088 0.000 2.469 415 V HA -0.211 3.907 4.120 -0.003 0.000 0.251 415 V C 2.430 178.571 176.094 0.079 0.000 1.064 415 V CA 2.365 64.705 62.300 0.066 0.000 1.066 415 V CB -0.370 31.446 31.823 -0.011 0.000 0.667 415 V HN 0.343 nan 8.190 nan 0.000 0.461 416 V N -0.028 119.939 119.914 0.088 0.000 2.307 416 V HA -0.138 3.980 4.120 -0.003 0.000 0.245 416 V C 2.608 178.779 176.094 0.128 0.000 1.045 416 V CA 2.066 64.423 62.300 0.094 0.000 1.024 416 V CB -0.710 31.171 31.823 0.096 0.000 0.651 416 V HN 0.552 nan 8.190 nan 0.000 0.449 417 E N -0.013 120.306 120.200 0.199 0.000 2.153 417 E HA -0.147 4.201 4.350 -0.003 0.000 0.194 417 E C 2.116 178.853 176.600 0.229 0.000 0.988 417 E CA 1.178 57.751 56.400 0.288 0.000 0.811 417 E CB -0.248 29.702 29.700 0.416 0.000 0.746 417 E HN 0.582 nan 8.360 nan 0.000 0.466 418 I N 1.388 122.098 120.570 0.234 0.000 2.202 418 I HA -0.225 3.943 4.170 -0.003 0.000 0.242 418 I C 2.052 178.242 176.117 0.122 0.000 1.091 418 I CA 0.784 62.236 61.300 0.253 0.000 1.368 418 I CB -0.304 37.892 38.000 0.326 0.000 1.058 418 I HN 0.065 nan 8.210 nan 0.000 0.410 419 N N 0.863 119.608 118.700 0.075 0.000 2.381 419 N HA -0.086 4.652 4.740 -0.003 0.000 0.182 419 N C 1.930 177.428 175.510 -0.021 0.000 1.025 419 N CA 1.157 54.210 53.050 0.006 0.000 0.888 419 N CB 0.135 38.609 38.487 -0.021 0.000 0.965 419 N HN 0.392 nan 8.380 nan 0.000 0.438 420 I N 1.079 121.626 120.570 -0.039 0.000 2.333 420 I HA -0.162 4.006 4.170 -0.003 0.000 0.246 420 I C 2.441 178.424 176.117 -0.223 0.000 1.106 420 I CA 0.409 61.630 61.300 -0.132 0.000 1.411 420 I CB -0.199 37.688 38.000 -0.189 0.000 1.082 420 I HN 0.026 nan 8.210 nan 0.000 0.420 421 A N 0.510 123.150 122.820 -0.301 0.000 1.908 421 A HA -0.180 4.138 4.320 -0.003 0.000 0.218 421 A C 2.407 179.945 177.584 -0.076 0.000 1.181 421 A CA 1.890 53.702 52.037 -0.376 0.000 0.627 421 A CB -0.980 17.527 19.000 -0.821 0.000 0.818 421 A HN 0.244 nan 8.150 nan 0.000 0.445 422 V N -0.380 119.538 119.914 0.006 0.000 2.237 422 V HA -0.240 3.878 4.120 -0.003 0.000 0.245 422 V C 2.509 178.671 176.094 0.112 0.000 1.046 422 V CA 1.982 64.338 62.300 0.095 0.000 1.007 422 V CB -0.827 30.975 31.823 -0.035 0.000 0.638 422 V HN 0.483 nan 8.190 nan 0.000 0.445 423 L N -0.222 121.004 121.223 0.006 0.000 2.012 423 L HA -0.206 4.132 4.340 -0.003 0.000 0.210 423 L C 2.470 179.383 176.870 0.072 0.000 1.073 423 L CA 2.377 57.223 54.840 0.009 0.000 0.748 423 L CB -1.391 40.659 42.059 -0.015 0.000 0.891 423 L HN 0.580 nan 8.230 nan 0.000 0.431 424 H N -0.805 118.224 119.070 -0.067 0.000 2.290 424 H HA -0.145 4.409 4.556 -0.003 0.000 0.298 424 H C 2.292 177.603 175.328 -0.029 0.000 1.087 424 H CA 2.112 58.104 56.048 -0.093 0.000 1.291 424 H CB -0.149 29.483 29.762 -0.217 0.000 1.369 424 H HN 0.255 nan 8.280 nan 0.000 0.492 425 S N -0.339 115.279 115.700 -0.137 0.000 2.370 425 S HA -0.148 4.320 4.470 -0.003 0.000 0.226 425 S C 2.011 176.539 174.600 -0.121 0.000 1.033 425 S CA 1.382 59.471 58.200 -0.185 0.000 1.011 425 S CB -0.546 62.642 63.200 -0.021 0.000 0.852 425 S HN 0.351 nan 8.310 nan 0.000 0.457 426 F N 1.796 121.676 119.950 -0.117 0.000 2.171 426 F HA -0.090 4.435 4.527 -0.003 0.000 0.300 426 F C 2.678 178.420 175.800 -0.098 0.000 1.090 426 F CA 1.099 59.054 58.000 -0.076 0.000 1.293 426 F CB -0.467 38.508 39.000 -0.041 0.000 1.013 426 F HN 0.209 nan 8.300 nan 0.000 0.486 427 Q N -0.205 119.631 119.800 0.060 0.000 2.083 427 Q HA -0.194 4.144 4.340 -0.003 0.000 0.198 427 Q C 2.196 178.142 176.000 -0.091 0.000 0.969 427 Q CA 1.241 57.034 55.803 -0.016 0.000 0.838 427 Q CB -0.225 28.504 28.738 -0.015 0.000 0.900 427 Q HN 0.282 nan 8.270 nan 0.000 0.436 428 K N 0.532 120.809 120.400 -0.205 0.000 2.280 428 K HA -0.139 4.179 4.320 -0.003 0.000 0.202 428 K C 1.248 177.760 176.600 -0.146 0.000 1.047 428 K CA 0.981 57.137 56.287 -0.218 0.000 0.942 428 K CB 0.264 32.520 32.500 -0.406 0.000 0.739 428 K HN 0.232 nan 8.250 nan 0.000 0.457 429 Q N 0.154 119.869 119.800 -0.141 0.000 2.219 429 Q HA 0.090 4.428 4.340 -0.003 0.000 0.209 429 Q C -0.675 175.276 176.000 -0.082 0.000 0.854 429 Q CA -0.171 55.561 55.803 -0.118 0.000 0.960 429 Q CB 0.686 29.326 28.738 -0.163 0.000 1.116 429 Q HN 0.287 nan 8.270 nan 0.000 0.500 430 N N 0.349 119.014 118.700 -0.058 0.000 2.738 430 N HA -0.134 4.604 4.740 -0.003 0.000 0.249 430 N C -1.103 174.398 175.510 -0.015 0.000 1.047 430 N CA 0.543 53.572 53.050 -0.035 0.000 0.707 430 N CB -1.485 36.979 38.487 -0.038 0.000 0.937 430 N HN 0.021 nan 8.380 nan 0.000 0.545 431 V N 0.362 120.291 119.914 0.024 0.000 2.680 431 V HA 0.346 4.465 4.120 -0.003 0.000 0.309 431 V C 0.759 176.962 176.094 0.181 0.000 1.052 431 V CA -0.666 61.692 62.300 0.097 0.000 0.908 431 V CB 2.266 34.133 31.823 0.074 0.000 1.001 431 V HN 0.180 nan 8.190 nan 0.000 0.431 432 T N 6.087 120.713 114.554 0.120 0.000 2.834 432 T HA 0.428 4.776 4.350 -0.003 0.000 0.298 432 T C -0.358 174.384 174.700 0.071 0.000 0.966 432 T CA 0.417 62.516 62.100 -0.001 0.000 1.141 432 T CB 0.091 68.859 68.868 -0.167 0.000 0.905 432 T HN 0.321 nan 8.240 nan 0.000 0.535 433 I N 2.768 123.303 120.570 -0.059 0.000 3.006 433 I HA 0.527 4.695 4.170 -0.003 0.000 0.306 433 I C -1.055 175.008 176.117 -0.090 0.000 1.250 433 I CA -1.254 59.968 61.300 -0.130 0.000 0.996 433 I CB 2.428 40.214 38.000 -0.357 0.000 1.261 433 I HN 0.681 nan 8.210 nan 0.000 0.442 434 M N 5.609 125.210 119.600 0.001 0.000 2.213 434 M HA 0.302 4.780 4.480 -0.003 0.000 0.286 434 M C -1.293 175.036 176.300 0.049 0.000 1.008 434 M CA -0.652 54.682 55.300 0.055 0.000 0.937 434 M CB 1.677 34.417 32.600 0.233 0.000 1.600 434 M HN 0.577 nan 8.290 nan 0.000 0.450 435 D N 4.133 124.553 120.400 0.033 0.000 2.362 435 D HA -0.014 4.624 4.640 -0.003 0.000 0.242 435 D C 0.761 177.082 176.300 0.036 0.000 1.132 435 D CA -0.041 53.986 54.000 0.046 0.000 0.907 435 D CB 0.540 41.358 40.800 0.029 0.000 1.195 435 D HN 0.827 nan 8.370 nan 0.000 0.429 436 H N 0.508 119.508 119.070 -0.117 0.000 2.545 436 H HA -0.105 4.449 4.556 -0.003 0.000 0.282 436 H C 0.833 176.058 175.328 -0.172 0.000 1.020 436 H CA 0.889 56.837 56.048 -0.166 0.000 1.243 436 H CB -0.384 29.228 29.762 -0.249 0.000 1.377 436 H HN 0.512 nan 8.280 nan 0.000 0.581 437 H N 0.907 119.763 119.070 -0.356 0.000 2.355 437 H HA 0.078 4.632 4.556 -0.003 0.000 0.303 437 H C 2.189 177.481 175.328 -0.059 0.000 1.061 437 H CA 1.251 57.164 56.048 -0.226 0.000 1.368 437 H CB 0.218 29.823 29.762 -0.261 0.000 1.412 437 H HN 0.336 nan 8.280 nan 0.000 0.523 438 S N 0.987 116.739 115.700 0.088 0.000 2.368 438 S HA -0.112 4.356 4.470 -0.003 0.000 0.225 438 S C 2.441 177.111 174.600 0.118 0.000 1.030 438 S CA 0.894 59.148 58.200 0.090 0.000 0.999 438 S CB -0.250 62.993 63.200 0.071 0.000 0.844 438 S HN 0.500 nan 8.310 nan 0.000 0.459 439 A N 1.796 124.686 122.820 0.116 0.000 1.877 439 A HA 0.076 4.394 4.320 -0.003 0.000 0.216 439 A C 2.390 180.073 177.584 0.166 0.000 1.186 439 A CA 1.773 53.899 52.037 0.148 0.000 0.620 439 A CB -1.191 17.882 19.000 0.123 0.000 0.822 439 A HN 0.520 nan 8.150 nan 0.000 0.443 440 A N -0.148 122.751 122.820 0.132 0.000 1.877 440 A HA -0.188 4.130 4.320 -0.003 0.000 0.216 440 A C 1.910 179.631 177.584 0.228 0.000 1.186 440 A CA 1.658 53.797 52.037 0.170 0.000 0.620 440 A CB -0.599 18.474 19.000 0.122 0.000 0.822 440 A HN 0.641 nan 8.150 nan 0.000 0.443 441 E N 0.142 120.447 120.200 0.176 0.000 2.153 441 E HA -0.149 4.199 4.350 -0.003 0.000 0.194 441 E C 2.297 178.998 176.600 0.169 0.000 0.988 441 E CA 1.313 57.808 56.400 0.158 0.000 0.811 441 E CB -0.186 29.582 29.700 0.114 0.000 0.746 441 E HN 0.796 nan 8.360 nan 0.000 0.466 442 S N 0.466 116.278 115.700 0.188 0.000 2.406 442 S HA -0.130 4.338 4.470 -0.003 0.000 0.228 442 S C 1.847 176.591 174.600 0.239 0.000 1.020 442 S CA 0.299 58.612 58.200 0.188 0.000 0.965 442 S CB -0.344 62.968 63.200 0.188 0.000 0.798 442 S HN 0.299 nan 8.310 nan 0.000 0.488 443 F N 2.006 122.045 119.950 0.149 0.000 2.293 443 F HA 0.147 4.672 4.527 -0.003 0.000 0.300 443 F C 2.101 178.041 175.800 0.233 0.000 1.086 443 F CA 0.994 59.116 58.000 0.203 0.000 1.375 443 F CB -0.252 38.840 39.000 0.153 0.000 1.045 443 F HN 0.117 nan 8.300 nan 0.000 0.516 444 M N 0.163 119.869 119.600 0.177 0.000 2.132 444 M HA -0.128 4.351 4.480 -0.003 0.000 0.263 444 M C 2.210 178.525 176.300 0.026 0.000 1.065 444 M CA 1.451 56.811 55.300 0.099 0.000 1.122 444 M CB -1.283 31.416 32.600 0.165 0.000 1.365 444 M HN 0.071 nan 8.290 nan 0.000 0.411 445 K N 0.306 120.744 120.400 0.064 0.000 2.026 445 K HA -0.211 4.107 4.320 -0.003 0.000 0.208 445 K C 2.042 178.646 176.600 0.007 0.000 1.048 445 K CA 1.542 57.862 56.287 0.054 0.000 0.929 445 K CB -0.903 31.647 32.500 0.084 0.000 0.713 445 K HN 0.289 nan 8.250 nan 0.000 0.439 446 Y N 0.535 120.754 120.300 -0.134 0.000 2.145 446 Y HA -0.194 4.354 4.550 -0.003 0.000 0.286 446 Y C 2.215 177.927 175.900 -0.314 0.000 1.145 446 Y CA 2.443 60.422 58.100 -0.201 0.000 1.148 446 Y CB -0.472 37.845 38.460 -0.238 0.000 0.981 446 Y HN 0.163 nan 8.280 nan 0.000 0.507 447 M N 0.185 119.328 119.600 -0.761 0.000 2.108 447 M HA -0.302 4.176 4.480 -0.003 0.000 0.261 447 M C 2.479 178.456 176.300 -0.538 0.000 1.066 447 M CA 2.260 57.089 55.300 -0.785 0.000 1.107 447 M CB -0.317 31.952 32.600 -0.553 0.000 1.356 447 M HN 0.556 nan 8.290 nan 0.000 0.406 448 Q N 0.093 119.721 119.800 -0.286 0.000 2.050 448 Q HA -0.222 4.116 4.340 -0.003 0.000 0.202 448 Q C 1.508 177.433 176.000 -0.124 0.000 0.980 448 Q CA 1.915 57.667 55.803 -0.085 0.000 0.840 448 Q CB -0.060 28.751 28.738 0.122 0.000 0.898 448 Q HN 0.572 nan 8.270 nan 0.000 0.424 449 N N 0.578 119.175 118.700 -0.172 0.000 2.104 449 N HA -0.161 4.577 4.740 -0.003 0.000 0.190 449 N C 1.560 176.935 175.510 -0.226 0.000 1.024 449 N CA 1.215 54.182 53.050 -0.138 0.000 0.853 449 N CB -0.250 38.187 38.487 -0.084 0.000 1.008 449 N HN 0.298 nan 8.380 nan 0.000 0.424 450 E N 0.131 120.063 120.200 -0.447 0.000 2.051 450 E HA -0.142 4.206 4.350 -0.003 0.000 0.192 450 E C 1.889 178.223 176.600 -0.443 0.000 0.991 450 E CA 0.985 57.062 56.400 -0.538 0.000 0.799 450 E CB -0.472 28.727 29.700 -0.835 0.000 0.748 450 E HN 0.533 nan 8.360 nan 0.000 0.449 451 Y N 0.730 120.775 120.300 -0.425 0.000 2.314 451 Y HA -0.040 4.508 4.550 -0.003 0.000 0.293 451 Y C 2.517 178.338 175.900 -0.133 0.000 1.129 451 Y CA 0.965 58.883 58.100 -0.303 0.000 1.201 451 Y CB -0.001 38.167 38.460 -0.487 0.000 0.999 451 Y HN -0.044 nan 8.280 nan 0.000 0.541 452 R N -0.524 119.988 120.500 0.021 0.000 2.153 452 R HA -0.082 4.256 4.340 -0.003 0.000 0.218 452 R C 2.292 178.589 176.300 -0.004 0.000 1.072 452 R CA 1.346 57.467 56.100 0.035 0.000 0.990 452 R CB -0.221 30.102 30.300 0.038 0.000 0.889 452 R HN 0.389 nan 8.270 nan 0.000 0.452 453 S N 1.147 116.815 115.700 -0.054 0.000 2.357 453 S HA -0.085 4.383 4.470 -0.003 0.000 0.209 453 S C 1.826 176.384 174.600 -0.070 0.000 1.023 453 S CA 0.158 58.326 58.200 -0.053 0.000 0.933 453 S CB -0.200 62.966 63.200 -0.057 0.000 0.897 453 S HN 0.334 nan 8.310 nan 0.000 0.529 454 R N 1.305 121.725 120.500 -0.132 0.000 2.393 454 R HA 0.458 4.796 4.340 -0.003 0.000 0.244 454 R C 1.001 177.214 176.300 -0.146 0.000 0.920 454 R CA 0.277 56.299 56.100 -0.131 0.000 1.076 454 R CB -0.606 29.597 30.300 -0.161 0.000 1.119 454 R HN 0.589 nan 8.270 nan 0.000 0.524 455 G N 0.184 108.892 108.800 -0.153 0.000 2.371 455 G HA2 -0.086 3.872 3.960 -0.003 0.000 0.299 455 G HA3 -0.086 3.872 3.960 -0.003 0.000 0.299 455 G C 0.142 174.869 174.900 -0.288 0.000 1.014 455 G CA 0.273 45.304 45.100 -0.114 0.000 1.097 455 G HN 0.891 nan 8.290 nan 0.000 0.512 456 G N -2.335 106.003 108.800 -0.769 0.000 2.384 456 G HA2 0.573 4.531 3.960 -0.003 0.000 0.300 456 G HA3 0.573 4.531 3.960 -0.003 0.000 0.300 456 G C -0.899 173.436 174.900 -0.942 0.000 1.582 456 G CA 0.265 44.856 45.100 -0.849 0.000 0.875 456 G HN 1.804 nan 8.290 nan 0.000 0.628 457 C N 3.104 121.985 119.300 -0.698 0.000 2.982 457 C HA 0.630 5.088 4.460 -0.003 0.000 0.372 457 C C -2.565 172.250 174.990 -0.291 0.000 1.061 457 C CA -1.236 57.508 59.018 -0.457 0.000 1.309 457 C CB 1.173 28.617 27.740 -0.494 0.000 1.766 457 C HN 0.651 nan 8.230 nan 0.000 0.504 458 P HA 0.357 nan 4.420 nan 0.000 0.266 458 P C -0.623 176.557 177.300 -0.200 0.000 1.215 458 P CA 0.657 63.337 63.100 -0.699 0.000 0.763 458 P CB 0.935 32.245 31.700 -0.650 0.000 0.806 459 A N 2.959 125.718 122.820 -0.102 0.000 2.402 459 A HA 0.369 4.687 4.320 -0.003 0.000 0.291 459 A C -0.893 176.755 177.584 0.108 0.000 1.051 459 A CA -0.546 51.549 52.037 0.098 0.000 0.716 459 A CB 1.032 20.191 19.000 0.264 0.000 1.223 459 A HN 0.398 nan 8.150 nan 0.000 0.425 460 D N 2.331 122.793 120.400 0.104 0.000 2.428 460 D HA 0.155 4.793 4.640 -0.003 0.000 0.221 460 D C 0.859 177.309 176.300 0.250 0.000 1.123 460 D CA -0.446 53.650 54.000 0.161 0.000 0.869 460 D CB 0.316 41.175 40.800 0.099 0.000 1.032 460 D HN 0.620 nan 8.370 nan 0.000 0.506 461 W N 4.474 125.824 121.300 0.084 0.000 2.318 461 W HA -0.218 4.440 4.660 -0.003 0.000 0.313 461 W C 1.775 178.341 176.519 0.080 0.000 1.221 461 W CA 1.204 58.588 57.345 0.065 0.000 1.266 461 W CB -0.096 29.382 29.460 0.031 0.000 1.150 461 W HN 0.470 nan 8.180 nan 0.000 0.496 462 I N -0.968 119.934 120.570 0.552 0.000 2.399 462 I HA -0.312 3.856 4.170 -0.003 0.000 0.254 462 I C 1.718 177.968 176.117 0.221 0.000 1.146 462 I CA 1.454 63.009 61.300 0.425 0.000 1.412 462 I CB -0.618 37.629 38.000 0.412 0.000 1.076 462 I HN 0.137 nan 8.210 nan 0.000 0.432 463 W N 0.028 121.340 121.300 0.020 0.000 2.683 463 W HA 0.153 4.812 4.660 -0.003 0.000 0.267 463 W C 2.226 178.664 176.519 -0.136 0.000 1.243 463 W CA 0.164 57.486 57.345 -0.038 0.000 1.380 463 W CB -0.232 29.224 29.460 -0.007 0.000 1.063 463 W HN -0.071 nan 8.180 nan 0.000 0.599 464 L N -0.210 121.005 121.223 -0.013 0.000 2.156 464 L HA -0.024 4.314 4.340 -0.003 0.000 0.208 464 L C 0.659 177.351 176.870 -0.296 0.000 1.095 464 L CA 0.403 55.109 54.840 -0.223 0.000 0.770 464 L CB -0.940 40.910 42.059 -0.347 0.000 0.914 464 L HN -0.408 nan 8.230 nan 0.000 0.439 465 V N 1.537 121.204 119.914 -0.412 0.000 2.479 465 V HA 0.090 4.208 4.120 -0.003 0.000 0.281 465 V C -1.886 174.049 176.094 -0.266 0.000 1.031 465 V CA -1.250 60.788 62.300 -0.436 0.000 1.038 465 V CB 0.194 31.533 31.823 -0.807 0.000 0.981 465 V HN 0.047 nan 8.190 nan 0.000 0.478 466 P HA 0.075 nan 4.420 nan 0.000 0.265 466 P C -1.704 175.480 177.300 -0.194 0.000 1.187 466 P CA -0.923 62.069 63.100 -0.181 0.000 0.766 466 P CB 0.097 31.728 31.700 -0.115 0.000 0.820 467 P HA -0.064 nan 4.420 nan 0.000 0.236 467 P C 0.053 177.246 177.300 -0.179 0.000 1.172 467 P CA 1.360 64.343 63.100 -0.195 0.000 0.759 467 P CB -0.001 31.571 31.700 -0.213 0.000 0.843 468 M N -4.395 115.071 119.600 -0.224 0.000 2.433 468 M HA 0.520 4.998 4.480 -0.003 0.000 0.290 468 M C -0.605 175.631 176.300 -0.106 0.000 1.173 468 M CA -0.592 54.603 55.300 -0.175 0.000 0.905 468 M CB 2.153 34.620 32.600 -0.222 0.000 1.692 468 M HN -0.340 nan 8.290 nan 0.000 0.462 469 S N 1.321 117.002 115.700 -0.031 0.000 3.631 469 S HA -0.158 4.310 4.470 -0.003 0.000 0.366 469 S C 1.056 175.654 174.600 -0.004 0.000 0.993 469 S CA 0.697 58.911 58.200 0.024 0.000 1.167 469 S CB -1.825 61.465 63.200 0.150 0.000 0.909 469 S HN 1.225 nan 8.310 nan 0.000 0.478 470 G N 2.469 111.234 108.800 -0.058 0.000 2.628 470 G HA2 -0.291 3.667 3.960 -0.003 0.000 0.217 470 G HA3 -0.291 3.667 3.960 -0.003 0.000 0.217 470 G C 1.457 176.237 174.900 -0.201 0.000 1.240 470 G CA 1.344 46.407 45.100 -0.061 0.000 0.792 470 G HN 1.269 nan 8.290 nan 0.000 0.593 471 S N 0.369 115.660 115.700 -0.681 0.000 2.547 471 S HA 0.044 4.512 4.470 -0.003 0.000 0.235 471 S C 1.950 176.486 174.600 -0.107 0.000 0.980 471 S CA 0.572 58.201 58.200 -0.951 0.000 0.941 471 S CB -0.088 62.346 63.200 -1.278 0.000 0.763 471 S HN 0.200 nan 8.310 nan 0.000 0.532 472 I N 2.846 123.401 120.570 -0.024 0.000 3.111 472 I HA 0.049 4.217 4.170 -0.003 0.000 0.272 472 I C 1.237 177.458 176.117 0.174 0.000 1.268 472 I CA 0.531 61.890 61.300 0.098 0.000 1.467 472 I CB -2.002 36.080 38.000 0.136 0.000 1.087 472 I HN 0.474 nan 8.210 nan 0.000 0.467 473 T N -1.145 113.518 114.554 0.180 0.000 2.895 473 T HA 0.379 4.727 4.350 -0.003 0.000 0.283 473 T C -1.518 173.369 174.700 0.311 0.000 1.014 473 T CA -1.798 60.428 62.100 0.210 0.000 1.037 473 T CB 2.400 71.350 68.868 0.137 0.000 1.006 473 T HN -0.099 nan 8.240 nan 0.000 0.468 474 P HA -0.056 nan 4.420 nan 0.000 0.223 474 P C 1.758 179.279 177.300 0.368 0.000 1.151 474 P CA 0.746 64.050 63.100 0.340 0.000 0.787 474 P CB -0.278 31.558 31.700 0.225 0.000 0.788 475 V N -3.709 116.371 119.914 0.277 0.000 2.626 475 V HA -0.186 3.932 4.120 -0.003 0.000 0.252 475 V C 2.354 178.527 176.094 0.132 0.000 1.067 475 V CA 1.187 63.610 62.300 0.206 0.000 1.081 475 V CB -2.205 29.657 31.823 0.064 0.000 0.686 475 V HN -0.101 nan 8.190 nan 0.000 0.468 476 F N 1.927 121.865 119.950 -0.021 0.000 2.134 476 F HA -0.125 4.400 4.527 -0.003 0.000 0.299 476 F C 2.433 178.405 175.800 0.287 0.000 1.097 476 F CA 2.134 60.109 58.000 -0.041 0.000 1.264 476 F CB -0.398 38.518 39.000 -0.141 0.000 1.001 476 F HN 0.266 nan 8.300 nan 0.000 0.479 477 H N -0.785 118.650 119.070 0.608 0.000 2.547 477 H HA 0.074 4.628 4.556 -0.003 0.000 0.266 477 H C 0.311 175.880 175.328 0.402 0.000 0.988 477 H CA 0.226 56.586 56.048 0.520 0.000 1.147 477 H CB -0.168 29.866 29.762 0.454 0.000 1.365 477 H HN 0.258 nan 8.280 nan 0.000 0.589 478 Q N 2.000 122.081 119.800 0.467 0.000 2.303 478 Q HA 0.136 4.474 4.340 -0.003 0.000 0.257 478 Q C -0.596 175.631 176.000 0.378 0.000 0.941 478 Q CA -0.314 55.707 55.803 0.362 0.000 0.931 478 Q CB 0.696 29.646 28.738 0.353 0.000 1.215 478 Q HN 0.250 nan 8.270 nan 0.000 0.437 479 E N 4.081 124.424 120.200 0.239 0.000 2.354 479 E HA 0.407 4.755 4.350 -0.003 0.000 0.269 479 E C -0.403 176.319 176.600 0.204 0.000 1.036 479 E CA -0.001 56.512 56.400 0.189 0.000 0.876 479 E CB 0.754 30.535 29.700 0.135 0.000 1.009 479 E HN 0.666 nan 8.360 nan 0.000 0.416 480 M N 0.988 120.707 119.600 0.199 0.000 2.569 480 M HA 0.470 4.948 4.480 -0.003 0.000 0.279 480 M C -1.457 174.941 176.300 0.164 0.000 1.253 480 M CA -0.955 54.472 55.300 0.212 0.000 0.867 480 M CB 1.425 34.195 32.600 0.283 0.000 1.727 480 M HN 0.199 nan 8.290 nan 0.000 0.467 481 L N 1.691 123.015 121.223 0.169 0.000 2.317 481 L HA 0.555 4.893 4.340 -0.003 0.000 0.281 481 L C -0.675 176.245 176.870 0.084 0.000 1.024 481 L CA -0.462 54.484 54.840 0.176 0.000 0.810 481 L CB 1.652 43.875 42.059 0.272 0.000 1.240 481 L HN 0.846 nan 8.230 nan 0.000 0.427 482 N N 2.643 121.403 118.700 0.100 0.000 2.372 482 N HA 0.579 5.317 4.740 -0.003 0.000 0.291 482 N C -1.769 173.791 175.510 0.084 0.000 1.024 482 N CA -0.393 52.642 53.050 -0.025 0.000 0.873 482 N CB 1.474 39.986 38.487 0.042 0.000 1.206 482 N HN 0.506 nan 8.380 nan 0.000 0.486 483 Y N -0.441 119.876 120.300 0.029 0.000 2.624 483 Y HA 0.439 4.987 4.550 -0.003 0.000 0.334 483 Y C -1.403 174.460 175.900 -0.062 0.000 1.155 483 Y CA -1.213 56.880 58.100 -0.012 0.000 1.046 483 Y CB 0.435 38.894 38.460 -0.002 0.000 1.316 483 Y HN -0.013 nan 8.280 nan 0.000 0.457 484 V N 3.739 123.662 119.914 0.014 0.000 2.439 484 V HA 0.508 4.626 4.120 -0.003 0.000 0.282 484 V C 0.075 176.060 176.094 -0.181 0.000 1.039 484 V CA -0.413 61.677 62.300 -0.350 0.000 0.913 484 V CB 0.783 32.250 31.823 -0.594 0.000 0.983 484 V HN 0.783 nan 8.190 nan 0.000 0.460 485 L N 2.560 123.679 121.223 -0.173 0.000 2.305 485 L HA 0.784 5.122 4.340 -0.003 0.000 0.261 485 L C -0.003 176.857 176.870 -0.016 0.000 1.100 485 L CA -0.613 54.220 54.840 -0.012 0.000 1.073 485 L CB 1.997 44.108 42.059 0.087 0.000 1.656 485 L HN 0.634 nan 8.230 nan 0.000 0.536 486 S N -0.581 115.155 115.700 0.061 0.000 2.572 486 S HA 0.559 5.027 4.470 -0.003 0.000 0.274 486 S C -2.725 171.944 174.600 0.115 0.000 1.150 486 S CA -1.022 57.239 58.200 0.102 0.000 0.944 486 S CB 1.940 65.214 63.200 0.123 0.000 1.071 486 S HN 0.137 nan 8.310 nan 0.000 0.479 487 P HA 0.466 nan 4.420 nan 0.000 0.271 487 P C -1.262 176.031 177.300 -0.011 0.000 1.244 487 P CA -0.094 63.002 63.100 -0.007 0.000 0.793 487 P CB 0.253 31.875 31.700 -0.129 0.000 0.984 488 F N -0.310 119.435 119.950 -0.340 0.000 2.703 488 F HA 0.380 4.905 4.527 -0.003 0.000 0.308 488 F C -1.759 173.698 175.800 -0.573 0.000 1.126 488 F CA -0.713 56.993 58.000 -0.490 0.000 0.959 488 F CB 1.013 39.689 39.000 -0.540 0.000 1.297 488 F HN 0.150 nan 8.300 nan 0.000 0.441 489 Y N 4.733 124.495 120.300 -0.896 0.000 2.504 489 Y HA 0.429 4.978 4.550 -0.003 0.000 0.339 489 Y C -0.878 174.650 175.900 -0.619 0.000 0.974 489 Y CA -0.650 57.114 58.100 -0.561 0.000 1.232 489 Y CB 0.180 38.321 38.460 -0.532 0.000 1.108 489 Y HN 0.355 nan 8.280 nan 0.000 0.509 490 Y N 1.120 121.464 120.300 0.073 0.000 2.403 490 Y HA 0.340 4.888 4.550 -0.003 0.000 0.323 490 Y C 0.076 175.992 175.900 0.027 0.000 1.226 490 Y CA -1.003 57.153 58.100 0.092 0.000 1.235 490 Y CB 0.683 39.260 38.460 0.196 0.000 1.248 490 Y HN 0.425 nan 8.280 nan 0.000 0.489 491 Y N 0.312 120.768 120.300 0.260 0.000 2.262 491 Y HA 0.356 4.904 4.550 -0.003 0.000 0.368 491 Y C 0.049 176.013 175.900 0.106 0.000 1.352 491 Y CA -0.823 57.353 58.100 0.128 0.000 1.760 491 Y CB 0.431 38.936 38.460 0.075 0.000 1.627 491 Y HN 0.429 nan 8.280 nan 0.000 0.606 492 Q N -0.946 118.988 119.800 0.224 0.000 2.482 492 Q HA 0.446 4.785 4.340 -0.003 0.000 0.286 492 Q C -1.837 174.133 176.000 -0.049 0.000 1.007 492 Q CA -1.037 54.806 55.803 0.066 0.000 0.801 492 Q CB 2.654 31.409 28.738 0.029 0.000 1.455 492 Q HN 0.277 nan 8.270 nan 0.000 0.398 493 V N 2.959 122.804 119.914 -0.113 0.000 2.427 493 V HA 0.010 4.128 4.120 -0.003 0.000 0.268 493 V C 0.272 176.145 176.094 -0.368 0.000 1.046 493 V CA -0.293 61.882 62.300 -0.209 0.000 0.970 493 V CB 0.429 32.145 31.823 -0.179 0.000 1.001 493 V HN 0.665 nan 8.190 nan 0.000 0.476 494 E N 4.917 124.800 120.200 -0.528 0.000 2.905 494 E HA -0.128 4.220 4.350 -0.003 0.000 0.240 494 E C 1.386 177.318 176.600 -1.114 0.000 0.990 494 E CA 0.622 56.466 56.400 -0.928 0.000 0.954 494 E CB 0.198 29.008 29.700 -1.483 0.000 0.908 494 E HN 0.691 nan 8.360 nan 0.000 0.532 495 A N 5.687 127.931 122.820 -0.960 0.000 1.900 495 A HA -0.297 4.021 4.320 -0.003 0.000 0.225 495 A C 1.833 178.800 177.584 -1.029 0.000 1.414 495 A CA 2.800 54.186 52.037 -1.085 0.000 0.702 495 A CB -1.704 16.210 19.000 -1.811 0.000 0.845 495 A HN 1.011 nan 8.150 nan 0.000 0.478 496 W N 0.007 120.622 121.300 -1.142 0.000 2.325 496 W HA -0.177 4.482 4.660 -0.003 0.000 0.299 496 W C 1.595 178.098 176.519 -0.027 0.000 1.215 496 W CA 1.390 58.493 57.345 -0.405 0.000 1.244 496 W CB -0.486 29.009 29.460 0.058 0.000 1.140 496 W HN 0.273 nan 8.180 nan 0.000 0.523 497 K N 0.159 120.286 120.400 -0.456 0.000 2.283 497 K HA -0.066 4.252 4.320 -0.003 0.000 0.202 497 K C 1.658 178.210 176.600 -0.079 0.000 1.048 497 K CA 1.825 57.997 56.287 -0.192 0.000 0.948 497 K CB -0.435 31.855 32.500 -0.349 0.000 0.742 497 K HN 0.465 nan 8.250 nan 0.000 0.458 498 T N -3.367 111.109 114.554 -0.130 0.000 3.043 498 T HA 0.047 4.395 4.350 -0.003 0.000 0.272 498 T C 0.225 174.927 174.700 0.004 0.000 0.990 498 T CA -0.488 61.575 62.100 -0.061 0.000 0.897 498 T CB -0.141 68.663 68.868 -0.107 0.000 1.111 498 T HN 0.045 nan 8.240 nan 0.000 0.529 499 H N 2.551 121.554 119.070 -0.111 0.000 2.790 499 H HA 0.409 4.963 4.556 -0.003 0.000 0.358 499 H C 0.146 175.418 175.328 -0.093 0.000 1.103 499 H CA -0.242 55.709 56.048 -0.162 0.000 1.426 499 H CB 1.005 30.580 29.762 -0.312 0.000 1.424 499 H HN 0.209 nan 8.280 nan 0.000 0.599 500 V N 2.717 122.219 119.914 -0.688 0.000 2.217 500 V HA 0.234 4.352 4.120 -0.003 0.000 0.264 500 V C -0.449 175.224 176.094 -0.700 0.000 1.107 500 V CA -1.116 60.908 62.300 -0.460 0.000 0.913 500 V CB -1.057 30.610 31.823 -0.259 0.000 1.153 500 V HN 0.561 nan 8.190 nan 0.000 0.469 501 W N 2.519 123.573 121.300 -0.409 0.000 2.170 501 W HA 0.427 5.086 4.660 -0.003 0.000 0.342 501 W C 0.797 177.246 176.519 -0.117 0.000 1.294 501 W CA 0.365 57.587 57.345 -0.206 0.000 1.246 501 W CB 0.369 29.823 29.460 -0.009 0.000 1.156 501 W HN 0.521 nan 8.180 nan 0.000 0.572 502 Q N 0.000 119.917 119.800 0.195 0.000 2.315 502 Q HA 0.000 4.338 4.340 -0.003 0.000 0.214 502 Q CA 0.000 55.869 55.803 0.110 0.000 1.022 502 Q CB 0.000 28.775 28.738 0.062 0.000 1.108 502 Q HN 0.000 nan 8.270 nan 0.000 0.481