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 2nsi_1_B 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 0.000 176.524 176.300 0.374 0.000 0.893 83 R CA 0.000 56.352 56.100 0.420 0.000 0.921 83 R CB 0.000 30.579 30.300 0.465 0.000 0.687 84 H N 1.600 120.787 119.070 0.196 0.000 2.466 84 H HA 0.445 5.002 4.556 0.001 0.000 0.338 84 H C -0.713 174.675 175.328 0.099 0.000 1.091 84 H CA -0.505 55.648 56.048 0.174 0.000 1.207 84 H CB 2.132 31.962 29.762 0.114 0.000 1.466 84 H HN 0.188 nan 8.280 nan 0.000 0.493 85 V N 3.877 123.866 119.914 0.125 0.000 2.384 85 V HA 0.306 4.427 4.120 0.001 0.000 0.287 85 V C 0.374 176.492 176.094 0.040 0.000 1.020 85 V CA -0.896 61.395 62.300 -0.014 0.000 0.850 85 V CB 1.212 32.874 31.823 -0.268 0.000 0.987 85 V HN 0.665 nan 8.190 nan 0.000 0.436 86 R N 5.649 126.172 120.500 0.039 0.000 2.298 86 R HA 0.607 4.947 4.340 0.001 0.000 0.310 86 R C -0.656 175.652 176.300 0.013 0.000 1.068 86 R CA -0.246 55.872 56.100 0.030 0.000 0.957 86 R CB 0.567 30.874 30.300 0.011 0.000 1.003 86 R HN 0.838 nan 8.270 nan 0.000 0.454 87 I N 0.440 121.018 120.570 0.013 0.000 2.647 87 I HA 0.547 4.718 4.170 0.001 0.000 0.295 87 I C -1.183 174.910 176.117 -0.040 0.000 1.078 87 I CA -1.069 60.240 61.300 0.015 0.000 1.048 87 I CB 2.198 40.233 38.000 0.058 0.000 1.239 87 I HN 0.484 nan 8.210 nan 0.000 0.421 88 K N 3.307 123.627 120.400 -0.133 0.000 2.318 88 K HA 0.404 4.725 4.320 0.001 0.000 0.249 88 K C -1.098 175.326 176.600 -0.293 0.000 0.942 88 K CA -0.770 55.311 56.287 -0.344 0.000 0.808 88 K CB 1.730 33.778 32.500 -0.752 0.000 1.189 88 K HN 0.747 nan 8.250 nan 0.000 0.428 89 N N 3.644 122.206 118.700 -0.231 0.000 2.609 89 N HA 0.114 4.854 4.740 0.001 0.000 0.234 89 N C -0.224 175.252 175.510 -0.057 0.000 1.001 89 N CA -0.523 52.523 53.050 -0.007 0.000 0.926 89 N CB 0.134 38.674 38.487 0.088 0.000 1.130 89 N HN 0.639 nan 8.380 nan 0.000 0.510 90 W N 2.152 123.537 121.300 0.141 0.000 2.389 90 W HA 0.006 4.666 4.660 0.001 0.000 0.267 90 W C 2.069 178.628 176.519 0.067 0.000 1.219 90 W CA 0.794 58.207 57.345 0.113 0.000 1.189 90 W CB -0.083 29.470 29.460 0.155 0.000 1.129 90 W HN 0.617 nan 8.180 nan 0.000 0.581 91 G N -0.319 108.618 108.800 0.228 0.000 2.395 91 G HA2 -0.208 3.752 3.960 0.001 0.000 0.214 91 G HA3 -0.208 3.752 3.960 0.001 0.000 0.214 91 G C 1.540 176.458 174.900 0.031 0.000 1.177 91 G CA 1.333 46.449 45.100 0.027 0.000 0.794 91 G HN 0.305 nan 8.290 nan 0.000 0.532 92 S N -1.093 114.628 115.700 0.036 0.000 2.503 92 S HA 0.376 4.847 4.470 0.001 0.000 0.215 92 S C 1.952 176.525 174.600 -0.045 0.000 1.003 92 S CA 1.030 59.229 58.200 -0.002 0.000 0.910 92 S CB 0.300 63.499 63.200 -0.001 0.000 0.790 92 S HN 1.529 nan 8.310 nan 0.000 0.514 93 G N 1.561 110.318 108.800 -0.072 0.000 2.234 93 G HA2 -0.340 3.621 3.960 0.001 0.000 0.260 93 G HA3 -0.340 3.621 3.960 0.001 0.000 0.260 93 G C 0.066 174.838 174.900 -0.213 0.000 0.987 93 G CA 0.368 45.381 45.100 -0.145 0.000 0.625 93 G HN 0.637 nan 8.290 nan 0.000 0.532 94 M N 2.176 121.651 119.600 -0.208 0.000 2.269 94 M HA 0.427 4.908 4.480 0.001 0.000 0.350 94 M C 0.536 176.579 176.300 -0.428 0.000 1.429 94 M CA 0.973 56.083 55.300 -0.317 0.000 1.063 94 M CB 0.539 32.934 32.600 -0.340 0.000 1.841 94 M HN 0.284 nan 8.290 nan 0.000 0.455 95 T N 4.855 119.136 114.554 -0.455 0.000 2.855 95 T HA 0.644 4.994 4.350 0.001 0.000 0.281 95 T C -1.160 173.232 174.700 -0.514 0.000 1.007 95 T CA -0.496 61.364 62.100 -0.401 0.000 1.009 95 T CB 0.507 69.220 68.868 -0.258 0.000 0.983 95 T HN 0.529 nan 8.240 nan 0.000 0.455 96 F N 1.944 121.746 119.950 -0.246 0.000 2.556 96 F HA 0.583 5.110 4.527 0.001 0.000 0.327 96 F C 0.401 176.099 175.800 -0.171 0.000 1.059 96 F CA -0.933 56.871 58.000 -0.327 0.000 0.953 96 F CB 2.005 40.511 39.000 -0.823 0.000 1.227 96 F HN 0.261 nan 8.300 nan 0.000 0.478 97 Q N 1.866 121.773 119.800 0.177 0.000 2.401 97 Q HA 0.152 4.493 4.340 0.001 0.000 0.260 97 Q C -1.344 174.838 176.000 0.304 0.000 1.034 97 Q CA -0.385 55.549 55.803 0.219 0.000 0.737 97 Q CB 1.919 30.811 28.738 0.258 0.000 1.227 97 Q HN 0.606 nan 8.270 nan 0.000 0.488 98 D N 1.426 122.001 120.400 0.292 0.000 2.312 98 D HA 0.115 4.756 4.640 0.001 0.000 0.252 98 D C 0.620 177.075 176.300 0.259 0.000 1.150 98 D CA 0.296 54.508 54.000 0.354 0.000 0.870 98 D CB 1.221 42.225 40.800 0.341 0.000 1.153 98 D HN 0.558 nan 8.370 nan 0.000 0.457 99 T N 0.847 115.492 114.554 0.153 0.000 2.954 99 T HA -0.042 4.308 4.350 0.001 0.000 0.252 99 T C 1.830 176.446 174.700 -0.139 0.000 0.983 99 T CA -0.269 61.814 62.100 -0.029 0.000 0.941 99 T CB -0.081 68.677 68.868 -0.183 0.000 1.141 99 T HN 0.242 nan 8.240 nan 0.000 0.500 100 L N 3.151 124.331 121.223 -0.071 0.000 2.353 100 L HA -0.047 4.293 4.340 0.001 0.000 0.220 100 L C 2.478 179.118 176.870 -0.383 0.000 1.133 100 L CA 1.682 56.436 54.840 -0.144 0.000 0.798 100 L CB -0.799 41.235 42.059 -0.042 0.000 0.922 100 L HN 0.584 nan 8.230 nan 0.000 0.445 101 H N -3.071 115.618 119.070 -0.635 0.000 2.518 101 H HA -0.162 4.394 4.556 0.001 0.000 0.289 101 H C 1.680 176.657 175.328 -0.585 0.000 1.051 101 H CA 1.762 57.179 56.048 -1.052 0.000 1.280 101 H CB -0.753 28.523 29.762 -0.811 0.000 1.380 101 H HN 0.546 nan 8.280 nan 0.000 0.566 102 H N 1.024 119.623 119.070 -0.785 0.000 2.363 102 H HA 0.010 4.566 4.556 0.001 0.000 0.301 102 H C 2.321 177.480 175.328 -0.283 0.000 1.074 102 H CA 1.271 57.021 56.048 -0.498 0.000 1.354 102 H CB 0.327 29.812 29.762 -0.461 0.000 1.397 102 H HN 0.260 nan 8.280 nan 0.000 0.516 103 K N 1.082 121.405 120.400 -0.128 0.000 2.515 103 K HA 0.048 4.369 4.320 0.001 0.000 0.196 103 K C 0.053 176.614 176.600 -0.064 0.000 1.038 103 K CA 0.260 56.503 56.287 -0.074 0.000 0.967 103 K CB 0.129 32.594 32.500 -0.058 0.000 0.780 103 K HN 0.185 nan 8.250 nan 0.000 0.483 104 A N 2.627 125.371 122.820 -0.127 0.000 2.366 104 A HA 0.140 4.461 4.320 0.001 0.000 0.272 104 A C -0.537 177.021 177.584 -0.044 0.000 1.135 104 A CA -0.626 51.367 52.037 -0.073 0.000 0.804 104 A CB 0.228 19.149 19.000 -0.130 0.000 1.064 104 A HN 0.353 nan 8.150 nan 0.000 0.499 105 K N 2.604 122.992 120.400 -0.020 0.000 2.368 105 K HA 0.228 4.549 4.320 0.001 0.000 0.282 105 K C 0.491 177.085 176.600 -0.009 0.000 1.035 105 K CA 0.298 56.578 56.287 -0.011 0.000 0.973 105 K CB 0.488 32.986 32.500 -0.004 0.000 0.957 105 K HN 0.582 nan 8.250 nan 0.000 0.474 106 G N 4.586 113.384 108.800 -0.003 0.000 3.284 106 G HA2 0.210 4.171 3.960 0.001 0.000 0.251 106 G HA3 0.210 4.171 3.960 0.001 0.000 0.251 106 G C 0.242 175.145 174.900 0.007 0.000 0.913 106 G CA -0.650 44.452 45.100 0.003 0.000 1.947 106 G HN 0.771 nan 8.290 nan 0.000 0.635 107 I N -1.325 119.248 120.570 0.006 0.000 2.503 107 I HA 0.652 4.822 4.170 0.001 0.000 0.277 107 I C -1.135 174.993 176.117 0.020 0.000 1.078 107 I CA -0.919 60.388 61.300 0.011 0.000 1.184 107 I CB 0.987 38.993 38.000 0.011 0.000 1.353 107 I HN -0.187 nan 8.210 nan 0.000 0.490 108 L N 3.855 125.092 121.223 0.023 0.000 2.388 108 L HA 0.484 4.825 4.340 0.001 0.000 0.264 108 L C 1.234 178.122 176.870 0.030 0.000 0.998 108 L CA -0.139 54.720 54.840 0.031 0.000 0.817 108 L CB 2.391 44.470 42.059 0.034 0.000 1.338 108 L HN 0.365 nan 8.230 nan 0.000 0.414 109 T N -0.884 113.690 114.554 0.034 0.000 3.055 109 T HA -0.018 4.332 4.350 0.001 0.000 0.265 109 T C 0.645 175.361 174.700 0.027 0.000 1.111 109 T CA 0.661 62.779 62.100 0.030 0.000 1.118 109 T CB -0.290 68.597 68.868 0.033 0.000 0.909 109 T HN 0.748 nan 8.240 nan 0.000 0.501 110 C N 2.205 121.522 119.300 0.029 0.000 2.365 110 C HA 0.918 5.378 4.460 0.001 0.000 0.374 110 C C 0.387 175.390 174.990 0.022 0.000 1.318 110 C CA -1.419 57.614 59.018 0.026 0.000 2.239 110 C CB 0.932 28.689 27.740 0.029 0.000 2.144 110 C HN 0.650 nan 8.230 nan 0.000 0.581 111 R N -1.055 119.456 120.500 0.018 0.000 3.034 111 R HA 0.470 4.810 4.340 0.001 0.000 0.264 111 R C -0.459 175.849 176.300 0.012 0.000 1.030 111 R CA -0.300 55.809 56.100 0.015 0.000 0.903 111 R CB 0.657 30.965 30.300 0.014 0.000 1.414 111 R HN 0.531 nan 8.270 nan 0.000 0.429 112 S N -0.059 115.648 115.700 0.011 0.000 2.699 112 S HA 0.125 4.596 4.470 0.001 0.000 0.251 112 S C 0.083 174.687 174.600 0.008 0.000 1.179 112 S CA 0.119 58.324 58.200 0.009 0.000 1.200 112 S CB -0.513 62.692 63.200 0.009 0.000 0.848 112 S HN 0.550 nan 8.310 nan 0.000 0.472 113 K N -0.675 119.730 120.400 0.008 0.000 2.548 113 K HA 0.094 4.414 4.320 0.001 0.000 0.193 113 K C -0.519 176.085 176.600 0.007 0.000 1.714 113 K CA 0.044 56.335 56.287 0.007 0.000 1.024 113 K CB 0.037 32.541 32.500 0.007 0.000 1.484 113 K HN 0.288 nan 8.250 nan 0.000 0.602 114 S N 0.284 115.989 115.700 0.008 0.000 2.194 114 S HA 0.113 4.584 4.470 0.001 0.000 0.249 114 S C -0.695 173.912 174.600 0.012 0.000 0.777 114 S CA -0.747 57.458 58.200 0.009 0.000 0.947 114 S CB -0.367 62.839 63.200 0.011 0.000 1.282 114 S HN 0.323 nan 8.310 nan 0.000 0.383 115 C N 5.636 124.943 119.300 0.011 0.000 2.624 115 C HA 0.339 4.800 4.460 0.001 0.000 0.397 115 C C 1.319 176.322 174.990 0.021 0.000 1.331 115 C CA -0.473 58.555 59.018 0.016 0.000 1.716 115 C CB -1.328 26.419 27.740 0.012 0.000 2.452 115 C HN 0.883 nan 8.230 nan 0.000 0.586 116 L N 6.859 128.098 121.223 0.027 0.000 2.930 116 L HA 0.198 4.538 4.340 0.001 0.000 0.250 116 L C 1.445 178.341 176.870 0.043 0.000 1.320 116 L CA 0.682 55.541 54.840 0.032 0.000 1.163 116 L CB -1.492 40.586 42.059 0.031 0.000 1.542 116 L HN 1.003 nan 8.230 nan 0.000 0.428 117 G N -1.088 107.738 108.800 0.044 0.000 2.320 117 G HA2 0.346 4.307 3.960 0.001 0.000 0.300 117 G HA3 0.346 4.307 3.960 0.001 0.000 0.300 117 G C 0.611 175.554 174.900 0.072 0.000 1.126 117 G CA 0.295 45.432 45.100 0.061 0.000 0.896 117 G HN 0.296 nan 8.290 nan 0.000 0.436 118 S N 1.268 117.030 115.700 0.103 0.000 2.066 118 S HA -0.160 4.310 4.470 0.001 0.000 0.234 118 S C 0.162 174.832 174.600 0.116 0.000 1.363 118 S CA -0.494 57.777 58.200 0.118 0.000 1.043 118 S CB -1.304 61.946 63.200 0.084 0.000 1.319 118 S HN 0.503 nan 8.310 nan 0.000 0.645 119 I N 3.134 123.764 120.570 0.100 0.000 2.371 119 I HA 0.327 4.497 4.170 0.001 0.000 0.290 119 I C 1.710 177.887 176.117 0.099 0.000 1.028 119 I CA -0.104 61.243 61.300 0.079 0.000 1.345 119 I CB 0.872 38.899 38.000 0.046 0.000 1.407 119 I HN 0.445 nan 8.210 nan 0.000 0.501 120 M N 5.021 124.681 119.600 0.100 0.000 2.073 120 M HA -0.157 4.324 4.480 0.001 0.000 0.258 120 M C 0.750 177.024 176.300 -0.044 0.000 1.070 120 M CA 1.983 57.360 55.300 0.129 0.000 1.103 120 M CB -0.162 32.492 32.600 0.092 0.000 1.321 120 M HN 0.685 nan 8.290 nan 0.000 0.405 121 T N -1.373 113.108 114.554 -0.121 0.000 3.209 121 T HA 0.558 4.908 4.350 0.001 0.000 0.366 121 T C -2.603 172.027 174.700 -0.115 0.000 1.293 121 T CA -1.525 60.407 62.100 -0.280 0.000 1.417 121 T CB 0.356 68.984 68.868 -0.401 0.000 1.013 121 T HN 0.038 nan 8.240 nan 0.000 0.572 122 P HA 0.266 nan 4.420 nan 0.000 0.269 122 P C 1.117 178.438 177.300 0.035 0.000 1.215 122 P CA -0.632 62.476 63.100 0.012 0.000 0.780 122 P CB 0.864 32.587 31.700 0.039 0.000 0.898 123 K N 1.077 121.497 120.400 0.034 0.000 2.211 123 K HA -0.091 4.230 4.320 0.001 0.000 0.203 123 K C 1.810 178.454 176.600 0.073 0.000 1.050 123 K CA 1.727 58.039 56.287 0.041 0.000 0.945 123 K CB -0.668 31.845 32.500 0.023 0.000 0.732 123 K HN 0.599 nan 8.250 nan 0.000 0.451 124 S N 0.317 116.064 115.700 0.079 0.000 2.419 124 S HA -0.080 4.390 4.470 0.001 0.000 0.233 124 S C 1.920 176.637 174.600 0.196 0.000 1.016 124 S CA 0.761 59.022 58.200 0.100 0.000 0.974 124 S CB -0.306 62.936 63.200 0.071 0.000 0.786 124 S HN 0.261 nan 8.310 nan 0.000 0.492 125 L N 1.328 122.695 121.223 0.240 0.000 2.592 125 L HA 0.190 4.530 4.340 0.001 0.000 0.227 125 L C 0.249 177.451 176.870 0.554 0.000 1.127 125 L CA 0.113 55.200 54.840 0.412 0.000 0.884 125 L CB -0.338 41.969 42.059 0.414 0.000 1.065 125 L HN 0.277 nan 8.230 nan 0.000 0.457 126 T N -0.321 114.443 114.554 0.349 0.000 2.907 126 T HA 0.400 4.751 4.350 0.001 0.000 0.284 126 T C -0.095 174.685 174.700 0.134 0.000 1.004 126 T CA -0.438 61.822 62.100 0.268 0.000 1.063 126 T CB 2.097 71.044 68.868 0.131 0.000 0.992 126 T HN -0.075 nan 8.240 nan 0.000 0.483 127 R N 1.439 121.983 120.500 0.074 0.000 2.513 127 R HA 0.482 4.823 4.340 0.001 0.000 0.283 127 R C 0.499 176.774 176.300 -0.041 0.000 1.535 127 R CA -0.403 55.640 56.100 -0.096 0.000 1.315 127 R CB 0.002 30.155 30.300 -0.245 0.000 1.163 127 R HN 0.870 nan 8.270 nan 0.000 0.573 128 G N 3.007 111.780 108.800 -0.045 0.000 2.661 128 G HA2 0.169 4.129 3.960 0.001 0.000 0.272 128 G HA3 0.169 4.129 3.960 0.001 0.000 0.272 128 G C -1.948 172.921 174.900 -0.051 0.000 1.296 128 G CA -0.629 44.444 45.100 -0.045 0.000 0.998 128 G HN 0.526 nan 8.290 nan 0.000 0.553 129 P HA 0.410 nan 4.420 nan 0.000 0.281 129 P C -0.793 176.482 177.300 -0.041 0.000 1.281 129 P CA -0.486 62.586 63.100 -0.047 0.000 0.811 129 P CB 1.405 33.070 31.700 -0.058 0.000 1.154 130 R N -0.513 119.968 120.500 -0.031 0.000 2.817 130 R HA 0.508 4.849 4.340 0.001 0.000 0.268 130 R C -0.462 175.828 176.300 -0.016 0.000 1.027 130 R CA -0.739 55.345 56.100 -0.027 0.000 0.928 130 R CB 0.831 31.113 30.300 -0.031 0.000 1.228 130 R HN 0.304 nan 8.270 nan 0.000 0.469 131 D N -0.140 120.252 120.400 -0.013 0.000 2.500 131 D HA 0.164 4.804 4.640 0.001 0.000 0.218 131 D C -0.546 175.753 176.300 -0.002 0.000 1.140 131 D CA -0.146 53.851 54.000 -0.004 0.000 0.830 131 D CB 0.663 41.458 40.800 -0.009 0.000 1.055 131 D HN 0.425 nan 8.370 nan 0.000 0.512 132 K N 0.950 121.344 120.400 -0.010 0.000 2.427 132 K HA 0.523 4.844 4.320 0.001 0.000 0.252 132 K C -2.869 173.719 176.600 -0.021 0.000 0.931 132 K CA -1.885 54.394 56.287 -0.013 0.000 0.793 132 K CB 2.590 35.082 32.500 -0.013 0.000 1.211 132 K HN -0.215 nan 8.250 nan 0.000 0.426 133 P HA -0.041 nan 4.420 nan 0.000 0.269 133 P C -0.746 176.538 177.300 -0.027 0.000 1.217 133 P CA -0.118 62.962 63.100 -0.033 0.000 0.783 133 P CB 0.317 31.996 31.700 -0.035 0.000 0.898 134 T N 3.251 117.787 114.554 -0.030 0.000 2.817 134 T HA 0.150 4.501 4.350 0.001 0.000 0.295 134 T C -2.152 172.544 174.700 -0.007 0.000 0.958 134 T CA -0.883 61.205 62.100 -0.021 0.000 1.157 134 T CB -0.697 68.157 68.868 -0.022 0.000 0.898 134 T HN 0.274 nan 8.240 nan 0.000 0.536 135 P HA 0.062 nan 4.420 nan 0.000 0.256 135 P C -1.800 175.504 177.300 0.007 0.000 1.173 135 P CA -1.035 62.064 63.100 -0.001 0.000 0.768 135 P CB 0.145 31.843 31.700 -0.004 0.000 0.758 136 P HA -0.242 nan 4.420 nan 0.000 0.216 136 P C 0.956 178.262 177.300 0.010 0.000 1.154 136 P CA 1.523 64.632 63.100 0.015 0.000 0.865 136 P CB -0.028 31.678 31.700 0.010 0.000 0.789 137 D N -0.547 119.856 120.400 0.004 0.000 2.144 137 D HA -0.173 4.468 4.640 0.001 0.000 0.199 137 D C 1.858 178.160 176.300 0.004 0.000 0.984 137 D CA 1.295 55.295 54.000 0.001 0.000 0.834 137 D CB -0.201 40.598 40.800 -0.001 0.000 0.955 137 D HN 0.520 nan 8.370 nan 0.000 0.465 138 E N 0.521 120.725 120.200 0.007 0.000 2.385 138 E HA -0.060 4.291 4.350 0.001 0.000 0.194 138 E C 2.131 178.744 176.600 0.021 0.000 1.013 138 E CA 0.056 56.461 56.400 0.010 0.000 0.866 138 E CB -0.145 29.558 29.700 0.004 0.000 0.832 138 E HN 0.092 nan 8.360 nan 0.000 0.500 139 L N 0.786 122.027 121.223 0.029 0.000 2.179 139 L HA 0.046 4.387 4.340 0.001 0.000 0.208 139 L C 2.057 178.957 176.870 0.050 0.000 1.096 139 L CA 0.974 55.849 54.840 0.058 0.000 0.779 139 L CB -0.356 41.751 42.059 0.080 0.000 0.922 139 L HN 0.267 nan 8.230 nan 0.000 0.443 140 L N 0.507 121.737 121.223 0.013 0.000 1.989 140 L HA -0.086 4.254 4.340 0.001 0.000 0.211 140 L C -0.482 176.385 176.870 -0.006 0.000 1.071 140 L CA 2.107 56.934 54.840 -0.022 0.000 0.749 140 L CB -1.775 40.269 42.059 -0.025 0.000 0.890 140 L HN 0.170 nan 8.230 nan 0.000 0.431 141 P HA -0.213 nan 4.420 nan 0.000 0.216 141 P C 1.461 178.792 177.300 0.052 0.000 1.153 141 P CA 1.691 64.805 63.100 0.024 0.000 0.858 141 P CB -0.099 31.614 31.700 0.021 0.000 0.789 142 Q N -0.853 118.987 119.800 0.067 0.000 2.079 142 Q HA -0.105 4.235 4.340 0.001 0.000 0.200 142 Q C 2.264 178.362 176.000 0.164 0.000 0.974 142 Q CA 1.535 57.405 55.803 0.111 0.000 0.840 142 Q CB -0.736 28.065 28.738 0.106 0.000 0.898 142 Q HN 0.180 nan 8.270 nan 0.000 0.430 143 A N 1.367 124.256 122.820 0.116 0.000 1.877 143 A HA -0.188 4.133 4.320 0.001 0.000 0.216 143 A C 2.045 179.697 177.584 0.113 0.000 1.186 143 A CA 1.244 53.328 52.037 0.078 0.000 0.620 143 A CB -0.526 18.295 19.000 -0.297 0.000 0.822 143 A HN 0.234 nan 8.150 nan 0.000 0.443 144 I N -0.084 120.517 120.570 0.051 0.000 2.179 144 I HA -0.190 3.981 4.170 0.001 0.000 0.242 144 I C 2.466 178.661 176.117 0.129 0.000 1.088 144 I CA 1.376 62.718 61.300 0.070 0.000 1.357 144 I CB -1.620 36.400 38.000 0.032 0.000 1.051 144 I HN 0.359 nan 8.210 nan 0.000 0.409 145 E N 0.605 120.885 120.200 0.132 0.000 2.086 145 E HA -0.282 4.069 4.350 0.001 0.000 0.200 145 E C 2.174 178.890 176.600 0.193 0.000 1.012 145 E CA 1.586 58.072 56.400 0.143 0.000 0.812 145 E CB -0.498 29.284 29.700 0.136 0.000 0.743 145 E HN 0.458 nan 8.360 nan 0.000 0.453 146 F N 1.121 121.150 119.950 0.131 0.000 2.051 146 F HA -0.216 4.312 4.527 0.001 0.000 0.296 146 F C 2.327 178.236 175.800 0.183 0.000 1.122 146 F CA 1.379 59.483 58.000 0.173 0.000 1.201 146 F CB -0.634 38.484 39.000 0.198 0.000 0.978 146 F HN -0.174 nan 8.300 nan 0.000 0.472 147 V N 1.385 121.300 119.914 0.002 0.000 2.370 147 V HA -0.392 3.728 4.120 0.001 0.000 0.252 147 V C 2.223 178.333 176.094 0.026 0.000 1.068 147 V CA 2.223 64.504 62.300 -0.030 0.000 1.061 147 V CB -1.086 30.858 31.823 0.202 0.000 0.656 147 V HN 0.402 nan 8.190 nan 0.000 0.455 148 N N -0.039 118.713 118.700 0.088 0.000 2.106 148 N HA -0.192 4.548 4.740 0.001 0.000 0.188 148 N C 1.916 177.404 175.510 -0.037 0.000 1.029 148 N CA 1.652 54.773 53.050 0.117 0.000 0.848 148 N CB -0.458 38.120 38.487 0.152 0.000 1.007 148 N HN 0.645 nan 8.380 nan 0.000 0.423 149 Q N -0.467 119.288 119.800 -0.075 0.000 2.096 149 Q HA -0.216 4.125 4.340 0.001 0.000 0.204 149 Q C 1.974 177.776 176.000 -0.329 0.000 0.982 149 Q CA 1.349 57.098 55.803 -0.090 0.000 0.850 149 Q CB -0.193 28.575 28.738 0.050 0.000 0.901 149 Q HN 0.480 nan 8.270 nan 0.000 0.422 150 Y N -0.258 119.572 120.300 -0.783 0.000 2.114 150 Y HA -0.288 4.263 4.550 0.001 0.000 0.284 150 Y C 1.541 176.950 175.900 -0.819 0.000 1.143 150 Y CA 1.992 59.329 58.100 -1.272 0.000 1.135 150 Y CB -0.528 37.169 38.460 -1.272 0.000 0.980 150 Y HN 0.181 nan 8.280 nan 0.000 0.499 151 Y N -0.046 119.979 120.300 -0.457 0.000 2.439 151 Y HA 0.017 4.568 4.550 0.001 0.000 0.292 151 Y C 2.582 178.344 175.900 -0.230 0.000 1.130 151 Y CA 1.131 59.016 58.100 -0.358 0.000 1.254 151 Y CB -0.752 37.267 38.460 -0.735 0.000 1.000 151 Y HN 0.248 nan 8.280 nan 0.000 0.554 152 G N -1.163 107.545 108.800 -0.154 0.000 2.534 152 G HA2 -0.211 3.750 3.960 0.001 0.000 0.217 152 G HA3 -0.211 3.750 3.960 0.001 0.000 0.217 152 G C 1.811 176.631 174.900 -0.133 0.000 1.128 152 G CA 0.992 46.042 45.100 -0.083 0.000 0.784 152 G HN 0.467 nan 8.290 nan 0.000 0.542 153 S N 0.157 115.663 115.700 -0.323 0.000 2.406 153 S HA 0.154 4.625 4.470 0.001 0.000 0.228 153 S C 0.857 175.226 174.600 -0.384 0.000 1.020 153 S CA -0.267 57.712 58.200 -0.369 0.000 0.965 153 S CB -0.383 62.463 63.200 -0.589 0.000 0.798 153 S HN 0.071 nan 8.310 nan 0.000 0.488 154 F N 3.720 123.498 119.950 -0.286 0.000 2.553 154 F HA 0.256 4.784 4.527 0.001 0.000 0.356 154 F C 1.921 177.658 175.800 -0.105 0.000 1.142 154 F CA -0.628 57.254 58.000 -0.196 0.000 1.322 154 F CB 0.579 39.451 39.000 -0.213 0.000 1.126 154 F HN 0.053 nan 8.300 nan 0.000 0.599 155 K N 1.642 122.108 120.400 0.110 0.000 1.965 155 K HA -0.163 4.158 4.320 0.001 0.000 0.214 155 K C -0.002 176.637 176.600 0.065 0.000 1.046 155 K CA 1.248 57.570 56.287 0.059 0.000 0.944 155 K CB -0.959 31.568 32.500 0.044 0.000 0.726 155 K HN 0.593 nan 8.250 nan 0.000 0.441 156 E N 1.775 122.017 120.200 0.071 0.000 2.167 156 E HA 0.492 4.843 4.350 0.001 0.000 0.284 156 E C -0.790 175.833 176.600 0.039 0.000 1.016 156 E CA -0.510 55.914 56.400 0.040 0.000 0.817 156 E CB 1.178 30.890 29.700 0.020 0.000 1.080 156 E HN 0.402 nan 8.360 nan 0.000 0.397 157 A N 4.414 127.255 122.820 0.035 0.000 2.540 157 A HA 0.102 4.423 4.320 0.001 0.000 0.239 157 A C 0.001 177.581 177.584 -0.008 0.000 1.061 157 A CA -0.347 51.711 52.037 0.035 0.000 0.758 157 A CB 0.139 19.165 19.000 0.043 0.000 0.991 157 A HN 0.474 nan 8.150 nan 0.000 0.502 158 K N 4.256 124.638 120.400 -0.030 0.000 2.559 158 K HA 0.175 4.495 4.320 0.001 0.000 0.236 158 K C 0.769 177.312 176.600 -0.095 0.000 1.185 158 K CA -0.511 55.728 56.287 -0.080 0.000 1.157 158 K CB 0.094 32.528 32.500 -0.110 0.000 1.782 158 K HN 0.660 nan 8.250 nan 0.000 0.419 159 I N 0.571 121.109 120.570 -0.052 0.000 2.185 159 I HA -0.332 3.839 4.170 0.001 0.000 0.246 159 I C 2.239 178.294 176.117 -0.104 0.000 1.088 159 I CA 1.610 62.872 61.300 -0.062 0.000 1.347 159 I CB -0.650 37.317 38.000 -0.055 0.000 1.041 159 I HN 0.423 nan 8.210 nan 0.000 0.415 160 E N 1.663 121.808 120.200 -0.092 0.000 2.000 160 E HA -0.231 4.120 4.350 0.001 0.000 0.199 160 E C 2.102 178.632 176.600 -0.117 0.000 1.011 160 E CA 1.908 58.254 56.400 -0.090 0.000 0.836 160 E CB -0.253 29.408 29.700 -0.064 0.000 0.778 160 E HN 0.488 nan 8.360 nan 0.000 0.462 161 E N -0.884 119.240 120.200 -0.128 0.000 2.130 161 E HA -0.269 4.082 4.350 0.001 0.000 0.196 161 E C 2.146 178.542 176.600 -0.341 0.000 0.998 161 E CA 1.260 57.576 56.400 -0.139 0.000 0.806 161 E CB -0.352 29.326 29.700 -0.036 0.000 0.738 161 E HN 0.511 nan 8.360 nan 0.000 0.459 162 H N 0.641 119.248 119.070 -0.773 0.000 2.253 162 H HA -0.144 4.412 4.556 0.001 0.000 0.296 162 H C 2.377 177.428 175.328 -0.461 0.000 1.074 162 H CA 1.187 56.602 56.048 -1.054 0.000 1.263 162 H CB 0.005 29.313 29.762 -0.757 0.000 1.363 162 H HN 0.101 nan 8.280 nan 0.000 0.489 163 L N 0.933 122.020 121.223 -0.225 0.000 2.043 163 L HA -0.185 4.156 4.340 0.001 0.000 0.212 163 L C 2.561 179.364 176.870 -0.112 0.000 1.075 163 L CA 1.915 56.636 54.840 -0.198 0.000 0.752 163 L CB -1.510 40.445 42.059 -0.173 0.000 0.891 163 L HN 0.504 nan 8.230 nan 0.000 0.432 164 A N 0.066 122.829 122.820 -0.095 0.000 1.883 164 A HA -0.292 4.029 4.320 0.001 0.000 0.217 164 A C 2.331 179.906 177.584 -0.016 0.000 1.186 164 A CA 1.978 53.986 52.037 -0.049 0.000 0.624 164 A CB -0.586 18.391 19.000 -0.038 0.000 0.822 164 A HN 0.472 nan 8.150 nan 0.000 0.444 165 R N -0.093 120.407 120.500 -0.000 0.000 2.070 165 R HA -0.076 4.264 4.340 0.001 0.000 0.233 165 R C 1.883 178.218 176.300 0.057 0.000 1.137 165 R CA 2.049 58.195 56.100 0.077 0.000 0.945 165 R CB -1.228 29.198 30.300 0.210 0.000 0.845 165 R HN 0.258 nan 8.270 nan 0.000 0.430 166 V N 0.858 120.798 119.914 0.042 0.000 2.324 166 V HA -0.264 3.856 4.120 0.001 0.000 0.250 166 V C 2.210 178.291 176.094 -0.021 0.000 1.060 166 V CA 2.333 64.641 62.300 0.014 0.000 1.042 166 V CB -0.608 31.201 31.823 -0.023 0.000 0.650 166 V HN 0.379 nan 8.190 nan 0.000 0.450 167 E N 0.192 120.376 120.200 -0.027 0.000 2.015 167 E HA -0.143 4.207 4.350 0.001 0.000 0.191 167 E C 2.309 178.898 176.600 -0.018 0.000 0.991 167 E CA 1.472 57.855 56.400 -0.029 0.000 0.802 167 E CB -0.600 29.082 29.700 -0.030 0.000 0.759 167 E HN 0.511 nan 8.360 nan 0.000 0.447 168 A N 0.145 122.963 122.820 -0.003 0.000 1.927 168 A HA -0.237 4.084 4.320 0.001 0.000 0.220 168 A C 2.453 180.040 177.584 0.006 0.000 1.185 168 A CA 1.949 53.993 52.037 0.011 0.000 0.639 168 A CB -0.956 18.063 19.000 0.032 0.000 0.820 168 A HN 0.199 nan 8.150 nan 0.000 0.451 169 V N -0.400 119.505 119.914 -0.014 0.000 2.270 169 V HA -0.237 3.884 4.120 0.001 0.000 0.245 169 V C 2.747 178.773 176.094 -0.114 0.000 1.043 169 V CA 2.488 64.736 62.300 -0.087 0.000 1.014 169 V CB -1.486 30.232 31.823 -0.175 0.000 0.645 169 V HN 0.632 nan 8.190 nan 0.000 0.447 170 T N 0.117 114.617 114.554 -0.090 0.000 2.635 170 T HA -0.315 4.035 4.350 0.001 0.000 0.267 170 T C 1.917 176.592 174.700 -0.042 0.000 1.040 170 T CA 2.160 64.216 62.100 -0.072 0.000 1.156 170 T CB -0.309 68.528 68.868 -0.052 0.000 0.863 170 T HN 0.430 nan 8.240 nan 0.000 0.430 171 K N 1.426 121.811 120.400 -0.026 0.000 2.001 171 K HA -0.193 4.128 4.320 0.001 0.000 0.214 171 K C 2.279 178.879 176.600 0.001 0.000 1.050 171 K CA 2.109 58.390 56.287 -0.010 0.000 0.934 171 K CB -0.410 32.088 32.500 -0.004 0.000 0.718 171 K HN 0.446 nan 8.250 nan 0.000 0.443 172 E N -0.030 120.177 120.200 0.011 0.000 2.097 172 E HA -0.211 4.140 4.350 0.001 0.000 0.196 172 E C 1.989 178.616 176.600 0.046 0.000 1.000 172 E CA 1.820 58.244 56.400 0.040 0.000 0.804 172 E CB -0.148 29.599 29.700 0.079 0.000 0.740 172 E HN 0.461 nan 8.360 nan 0.000 0.454 173 I N 1.270 121.853 120.570 0.022 0.000 2.226 173 I HA -0.263 3.908 4.170 0.001 0.000 0.245 173 I C 2.408 178.537 176.117 0.020 0.000 1.100 173 I CA 1.593 62.912 61.300 0.031 0.000 1.374 173 I CB -0.495 37.491 38.000 -0.022 0.000 1.057 173 I HN 0.258 nan 8.210 nan 0.000 0.413 174 E N 0.529 120.731 120.200 0.004 0.000 2.371 174 E HA -0.119 4.231 4.350 0.001 0.000 0.194 174 E C 1.795 178.398 176.600 0.006 0.000 1.012 174 E CA 1.475 57.876 56.400 0.002 0.000 0.860 174 E CB -0.314 29.383 29.700 -0.005 0.000 0.811 174 E HN 0.538 nan 8.360 nan 0.000 0.502 175 T N -1.184 113.375 114.554 0.009 0.000 3.051 175 T HA -0.006 4.345 4.350 0.001 0.000 0.255 175 T C 1.995 176.703 174.700 0.013 0.000 1.085 175 T CA 1.078 63.184 62.100 0.010 0.000 1.109 175 T CB 0.156 69.030 68.868 0.010 0.000 0.921 175 T HN 0.253 nan 8.240 nan 0.000 0.488 176 T N -3.394 111.172 114.554 0.020 0.000 2.975 176 T HA 0.539 4.889 4.350 0.001 0.000 0.261 176 T C 1.890 176.601 174.700 0.018 0.000 0.984 176 T CA 0.745 62.857 62.100 0.019 0.000 0.911 176 T CB 0.126 69.010 68.868 0.028 0.000 1.127 176 T HN 0.867 nan 8.240 nan 0.000 0.514 177 G N 0.267 109.083 108.800 0.025 0.000 2.217 177 G HA2 -0.192 3.769 3.960 0.001 0.000 0.246 177 G HA3 -0.192 3.769 3.960 0.001 0.000 0.246 177 G C 0.236 175.163 174.900 0.046 0.000 0.990 177 G CA 0.610 45.724 45.100 0.023 0.000 0.627 177 G HN 1.010 nan 8.290 nan 0.000 0.522 178 T N -1.425 113.174 114.554 0.075 0.000 2.612 178 T HA 0.695 5.046 4.350 0.001 0.000 0.296 178 T C -1.715 173.135 174.700 0.250 0.000 1.148 178 T CA 0.583 62.763 62.100 0.134 0.000 1.077 178 T CB 1.224 70.098 68.868 0.009 0.000 1.591 178 T HN 1.668 nan 8.240 nan 0.000 0.479 179 Y N -0.533 119.753 120.300 -0.023 0.000 2.677 179 Y HA 0.776 5.326 4.550 0.001 0.000 0.334 179 Y C -1.455 174.443 175.900 -0.004 0.000 1.196 179 Y CA -1.219 56.878 58.100 -0.005 0.000 1.059 179 Y CB 0.710 39.178 38.460 0.015 0.000 1.315 179 Y HN 0.410 nan 8.280 nan 0.000 0.455 180 Q N 2.210 122.033 119.800 0.038 0.000 2.266 180 Q HA 0.560 4.900 4.340 0.001 0.000 0.261 180 Q C -0.958 175.065 176.000 0.039 0.000 0.985 180 Q CA -0.823 54.958 55.803 -0.038 0.000 0.873 180 Q CB 2.725 31.472 28.738 0.014 0.000 1.306 180 Q HN 0.858 nan 8.270 nan 0.000 0.447 181 L N 1.240 122.458 121.223 -0.007 0.000 2.357 181 L HA 0.372 4.712 4.340 0.001 0.000 0.273 181 L C 1.051 177.943 176.870 0.035 0.000 1.080 181 L CA -0.648 54.218 54.840 0.043 0.000 0.803 181 L CB 1.217 43.273 42.059 -0.006 0.000 1.174 181 L HN 0.700 nan 8.230 nan 0.000 0.443 182 T N -0.869 113.701 114.554 0.026 0.000 2.766 182 T HA 0.151 4.502 4.350 0.001 0.000 0.295 182 T C 1.344 176.046 174.700 0.003 0.000 1.024 182 T CA -0.102 62.004 62.100 0.009 0.000 1.018 182 T CB 1.306 70.166 68.868 -0.013 0.000 1.002 182 T HN 0.705 nan 8.240 nan 0.000 0.532 183 G N 0.446 109.256 108.800 0.015 0.000 2.514 183 G HA2 -0.274 3.687 3.960 0.001 0.000 0.217 183 G HA3 -0.274 3.687 3.960 0.001 0.000 0.217 183 G C 1.181 176.102 174.900 0.035 0.000 1.198 183 G CA 1.170 46.279 45.100 0.015 0.000 0.780 183 G HN 0.895 nan 8.290 nan 0.000 0.565 184 D N -0.034 120.410 120.400 0.073 0.000 2.218 184 D HA -0.037 4.604 4.640 0.001 0.000 0.204 184 D C 2.385 178.810 176.300 0.208 0.000 0.976 184 D CA 0.997 55.091 54.000 0.156 0.000 0.853 184 D CB -0.073 40.873 40.800 0.243 0.000 0.939 184 D HN 0.512 nan 8.370 nan 0.000 0.481 185 E N -0.708 119.499 120.200 0.012 0.000 2.077 185 E HA -0.154 4.197 4.350 0.001 0.000 0.193 185 E C 1.897 178.634 176.600 0.228 0.000 0.989 185 E CA 0.454 56.819 56.400 -0.058 0.000 0.800 185 E CB -0.042 29.537 29.700 -0.201 0.000 0.746 185 E HN 0.243 nan 8.360 nan 0.000 0.452 186 L N 1.125 122.396 121.223 0.080 0.000 1.994 186 L HA -0.170 4.170 4.340 0.001 0.000 0.208 186 L C 2.016 178.899 176.870 0.022 0.000 1.071 186 L CA 1.555 56.387 54.840 -0.012 0.000 0.745 186 L CB -0.387 41.617 42.059 -0.093 0.000 0.892 186 L HN 0.144 nan 8.230 nan 0.000 0.431 187 I N -1.080 119.523 120.570 0.056 0.000 2.118 187 I HA -0.380 3.790 4.170 0.001 0.000 0.241 187 I C 2.434 178.629 176.117 0.131 0.000 1.070 187 I CA 2.067 63.399 61.300 0.054 0.000 1.327 187 I CB -0.535 37.502 38.000 0.061 0.000 1.034 187 I HN 0.364 nan 8.210 nan 0.000 0.405 188 F N 1.781 121.800 119.950 0.115 0.000 2.095 188 F HA -0.271 4.256 4.527 0.001 0.000 0.298 188 F C 2.465 178.362 175.800 0.162 0.000 1.104 188 F CA 1.584 59.676 58.000 0.155 0.000 1.232 188 F CB -0.419 38.740 39.000 0.265 0.000 0.987 188 F HN 0.016 nan 8.300 nan 0.000 0.475 189 A N 0.184 123.119 122.820 0.192 0.000 1.908 189 A HA -0.234 4.087 4.320 0.001 0.000 0.218 189 A C 2.293 179.768 177.584 -0.182 0.000 1.181 189 A CA 2.807 54.852 52.037 0.013 0.000 0.627 189 A CB -1.698 17.314 19.000 0.020 0.000 0.818 189 A HN 0.586 nan 8.150 nan 0.000 0.445 190 T N -1.413 113.062 114.554 -0.132 0.000 2.708 190 T HA -0.169 4.181 4.350 0.001 0.000 0.266 190 T C 1.817 176.528 174.700 0.018 0.000 1.037 190 T CA 1.584 63.629 62.100 -0.093 0.000 1.146 190 T CB -0.411 68.421 68.868 -0.060 0.000 0.865 190 T HN 0.542 nan 8.240 nan 0.000 0.435 191 K N 0.601 121.025 120.400 0.040 0.000 2.097 191 K HA -0.090 4.231 4.320 0.001 0.000 0.206 191 K C 2.646 179.293 176.600 0.078 0.000 1.049 191 K CA 1.391 57.796 56.287 0.196 0.000 0.933 191 K CB -0.212 32.412 32.500 0.206 0.000 0.717 191 K HN 0.283 nan 8.250 nan 0.000 0.442 192 Q N 0.791 120.444 119.800 -0.244 0.000 2.083 192 Q HA -0.021 4.320 4.340 0.001 0.000 0.198 192 Q C 1.922 177.755 176.000 -0.278 0.000 0.969 192 Q CA 1.688 57.240 55.803 -0.419 0.000 0.838 192 Q CB -0.242 28.081 28.738 -0.692 0.000 0.900 192 Q HN 0.313 nan 8.270 nan 0.000 0.436 193 A N -0.521 122.137 122.820 -0.270 0.000 1.972 193 A HA -0.181 4.140 4.320 0.001 0.000 0.219 193 A C 1.814 179.323 177.584 -0.126 0.000 1.169 193 A CA 1.465 53.263 52.037 -0.398 0.000 0.635 193 A CB -1.114 17.292 19.000 -0.989 0.000 0.810 193 A HN 0.694 nan 8.150 nan 0.000 0.446 194 W N 0.970 122.228 121.300 -0.070 0.000 2.378 194 W HA -0.113 4.548 4.660 0.001 0.000 0.313 194 W C 2.284 178.711 176.519 -0.153 0.000 1.197 194 W CA 1.508 58.828 57.345 -0.041 0.000 1.304 194 W CB -0.770 28.658 29.460 -0.052 0.000 1.148 194 W HN 0.360 nan 8.180 nan 0.000 0.494 195 R N 0.469 120.882 120.500 -0.145 0.000 2.159 195 R HA -0.174 4.166 4.340 0.001 0.000 0.237 195 R C 1.366 177.512 176.300 -0.256 0.000 1.131 195 R CA 1.739 57.570 56.100 -0.449 0.000 0.982 195 R CB -0.510 29.224 30.300 -0.943 0.000 0.868 195 R HN 0.105 nan 8.270 nan 0.000 0.453 196 N N 0.114 118.710 118.700 -0.174 0.000 2.336 196 N HA 0.040 4.780 4.740 0.001 0.000 0.189 196 N C -0.532 174.941 175.510 -0.061 0.000 1.113 196 N CA 0.516 53.514 53.050 -0.086 0.000 0.858 196 N CB 0.816 39.296 38.487 -0.011 0.000 0.970 196 N HN 0.148 nan 8.380 nan 0.000 0.471 197 A N 2.568 125.313 122.820 -0.125 0.000 2.410 197 A HA 0.236 4.557 4.320 0.001 0.000 0.292 197 A C -1.098 176.439 177.584 -0.078 0.000 1.232 197 A CA -1.089 50.820 52.037 -0.213 0.000 0.893 197 A CB 0.456 19.358 19.000 -0.164 0.000 1.131 197 A HN -0.005 nan 8.150 nan 0.000 0.530 198 P HA -0.118 nan 4.420 nan 0.000 0.230 198 P C 0.792 178.084 177.300 -0.013 0.000 1.158 198 P CA 0.948 64.039 63.100 -0.016 0.000 0.769 198 P CB 0.242 31.927 31.700 -0.024 0.000 0.807 199 R N -1.572 118.889 120.500 -0.065 0.000 2.334 199 R HA 0.145 4.486 4.340 0.001 0.000 0.212 199 R C 0.735 177.069 176.300 0.056 0.000 0.897 199 R CA -0.148 55.942 56.100 -0.016 0.000 1.056 199 R CB -0.185 29.985 30.300 -0.218 0.000 1.046 199 R HN 0.144 nan 8.270 nan 0.000 0.513 200 C N 1.173 120.490 119.300 0.029 0.000 2.394 200 C HA 0.270 4.730 4.460 0.001 0.000 0.362 200 C C 1.847 176.863 174.990 0.043 0.000 1.268 200 C CA -0.673 58.385 59.018 0.066 0.000 1.828 200 C CB -0.599 27.232 27.740 0.152 0.000 2.442 200 C HN 0.553 nan 8.230 nan 0.000 0.549 201 I N 4.360 124.918 120.570 -0.021 0.000 3.226 201 I HA 0.196 4.367 4.170 0.001 0.000 0.277 201 I C 1.844 178.033 176.117 0.119 0.000 1.243 201 I CA 1.064 62.304 61.300 -0.099 0.000 1.459 201 I CB 0.024 37.909 38.000 -0.192 0.000 1.093 201 I HN 0.882 nan 8.210 nan 0.000 0.453 202 G N 0.261 109.107 108.800 0.077 0.000 3.314 202 G HA2 0.023 3.983 3.960 0.001 0.000 0.238 202 G HA3 0.023 3.983 3.960 0.001 0.000 0.238 202 G C 1.253 176.141 174.900 -0.020 0.000 1.184 202 G CA -0.370 44.760 45.100 0.050 0.000 0.806 202 G HN 0.256 nan 8.290 nan 0.000 0.536 203 R N -0.217 120.169 120.500 -0.190 0.000 2.355 203 R HA 0.042 4.382 4.340 0.001 0.000 0.219 203 R C 1.970 177.747 176.300 -0.873 0.000 1.107 203 R CA 0.295 55.953 56.100 -0.736 0.000 1.021 203 R CB -0.170 29.544 30.300 -0.976 0.000 0.852 203 R HN 0.488 nan 8.270 nan 0.000 0.475 204 I N 0.646 120.916 120.570 -0.499 0.000 2.756 204 I HA -0.210 3.961 4.170 0.001 0.000 0.262 204 I C 1.223 177.235 176.117 -0.174 0.000 1.225 204 I CA 1.135 62.351 61.300 -0.140 0.000 1.472 204 I CB 0.180 38.189 38.000 0.015 0.000 1.094 204 I HN 0.158 nan 8.210 nan 0.000 0.454 205 Q N 0.624 120.232 119.800 -0.320 0.000 2.320 205 Q HA -0.078 4.262 4.340 0.001 0.000 0.201 205 Q C 1.551 177.064 176.000 -0.811 0.000 0.910 205 Q CA 0.215 55.812 55.803 -0.344 0.000 0.946 205 Q CB -0.162 28.538 28.738 -0.063 0.000 1.062 205 Q HN 0.778 nan 8.270 nan 0.000 0.503 206 W N 1.115 121.647 121.300 -1.281 0.000 2.313 206 W HA -0.232 4.429 4.660 0.001 0.000 0.293 206 W C 1.227 177.429 176.519 -0.527 0.000 1.216 206 W CA 1.524 58.009 57.345 -1.432 0.000 1.223 206 W CB -1.191 27.633 29.460 -1.060 0.000 1.138 206 W HN 0.147 nan 8.180 nan 0.000 0.535 207 S N 0.829 115.807 115.700 -1.203 0.000 2.436 207 S HA -0.083 4.387 4.470 0.001 0.000 0.228 207 S C 0.414 174.789 174.600 -0.376 0.000 1.014 207 S CA 0.488 58.115 58.200 -0.955 0.000 0.950 207 S CB -0.825 61.707 63.200 -1.113 0.000 0.784 207 S HN 0.175 nan 8.310 nan 0.000 0.504 208 N N 1.781 120.340 118.700 -0.234 0.000 2.602 208 N HA 0.599 5.339 4.740 0.001 0.000 0.238 208 N C -1.258 174.338 175.510 0.144 0.000 1.084 208 N CA -0.216 52.819 53.050 -0.024 0.000 0.952 208 N CB 1.038 39.547 38.487 0.036 0.000 1.244 208 N HN 0.310 nan 8.380 nan 0.000 0.512 209 L N 1.579 122.858 121.223 0.092 0.000 2.493 209 L HA 0.400 4.740 4.340 0.001 0.000 0.265 209 L C -1.255 175.583 176.870 -0.053 0.000 0.954 209 L CA -0.782 54.118 54.840 0.101 0.000 0.844 209 L CB 2.006 44.181 42.059 0.193 0.000 1.302 209 L HN 0.276 nan 8.230 nan 0.000 0.405 210 Q N 3.162 122.877 119.800 -0.141 0.000 2.274 210 Q HA 0.638 4.978 4.340 0.001 0.000 0.256 210 Q C -1.705 173.919 176.000 -0.626 0.000 0.927 210 Q CA -0.256 55.286 55.803 -0.434 0.000 0.939 210 Q CB 1.501 29.842 28.738 -0.661 0.000 1.201 210 Q HN 0.514 nan 8.270 nan 0.000 0.426 211 V N 5.629 125.172 119.914 -0.617 0.000 2.384 211 V HA 0.445 4.566 4.120 0.001 0.000 0.287 211 V C -0.818 174.890 176.094 -0.643 0.000 1.020 211 V CA -0.627 61.354 62.300 -0.532 0.000 0.850 211 V CB 0.614 32.270 31.823 -0.278 0.000 0.987 211 V HN 0.655 nan 8.190 nan 0.000 0.436 212 F N 2.567 122.333 119.950 -0.308 0.000 2.361 212 F HA 0.376 4.904 4.527 0.001 0.000 0.364 212 F C 0.543 176.170 175.800 -0.288 0.000 1.120 212 F CA -1.013 56.812 58.000 -0.293 0.000 1.102 212 F CB 0.949 39.747 39.000 -0.336 0.000 1.183 212 F HN 0.431 nan 8.300 nan 0.000 0.476 213 D N 3.329 123.694 120.400 -0.058 0.000 2.352 213 D HA 0.357 4.998 4.640 0.001 0.000 0.245 213 D C 0.131 176.335 176.300 -0.159 0.000 1.224 213 D CA 0.221 54.156 54.000 -0.108 0.000 0.879 213 D CB 1.068 41.830 40.800 -0.064 0.000 1.057 213 D HN 0.620 nan 8.370 nan 0.000 0.491 214 A N 4.637 127.299 122.820 -0.263 0.000 2.701 214 A HA 0.168 4.489 4.320 0.001 0.000 0.297 214 A C 1.560 179.093 177.584 -0.084 0.000 1.197 214 A CA -0.411 51.410 52.037 -0.360 0.000 0.963 214 A CB 0.100 18.675 19.000 -0.708 0.000 1.175 214 A HN 0.522 nan 8.150 nan 0.000 0.531 215 R N 0.254 120.720 120.500 -0.056 0.000 2.235 215 R HA -0.073 4.268 4.340 0.001 0.000 0.213 215 R C 1.945 178.211 176.300 -0.056 0.000 1.059 215 R CA 1.358 57.441 56.100 -0.028 0.000 0.997 215 R CB -0.012 30.296 30.300 0.013 0.000 0.884 215 R HN 0.635 nan 8.270 nan 0.000 0.462 216 S N -0.191 115.500 115.700 -0.015 0.000 2.461 216 S HA -0.061 4.409 4.470 0.001 0.000 0.228 216 S C 1.284 175.909 174.600 0.042 0.000 1.005 216 S CA -0.219 57.992 58.200 0.018 0.000 0.942 216 S CB -0.378 62.855 63.200 0.055 0.000 0.776 216 S HN 0.327 nan 8.310 nan 0.000 0.514 217 C N 3.129 122.470 119.300 0.067 0.000 2.692 217 C HA 0.408 4.869 4.460 0.001 0.000 0.409 217 C C 1.879 176.910 174.990 0.068 0.000 1.284 217 C CA 0.626 59.731 59.018 0.145 0.000 1.909 217 C CB 0.298 28.187 27.740 0.248 0.000 2.713 217 C HN 0.738 nan 8.230 nan 0.000 0.649 218 S N 1.234 117.068 115.700 0.224 0.000 2.617 218 S HA 0.185 4.656 4.470 0.001 0.000 0.278 218 S C 0.210 175.021 174.600 0.352 0.000 1.082 218 S CA 0.219 58.624 58.200 0.342 0.000 1.228 218 S CB 0.000 63.321 63.200 0.202 0.000 1.130 218 S HN 0.886 nan 8.310 nan 0.000 0.621 219 T N 0.623 115.316 114.554 0.232 0.000 2.924 219 T HA 0.735 5.086 4.350 0.001 0.000 0.291 219 T C 1.250 175.983 174.700 0.056 0.000 1.045 219 T CA 0.104 62.273 62.100 0.116 0.000 1.015 219 T CB 1.461 70.386 68.868 0.096 0.000 1.103 219 T HN 0.299 nan 8.240 nan 0.000 0.496 220 A N 3.167 125.985 122.820 -0.004 0.000 1.892 220 A HA -0.096 4.225 4.320 0.001 0.000 0.218 220 A C 2.197 179.682 177.584 -0.164 0.000 1.188 220 A CA 2.402 54.405 52.037 -0.056 0.000 0.631 220 A CB -0.758 18.294 19.000 0.087 0.000 0.822 220 A HN 0.915 nan 8.150 nan 0.000 0.447 221 R N -0.056 120.452 120.500 0.014 0.000 2.091 221 R HA -0.189 4.151 4.340 0.001 0.000 0.238 221 R C 2.001 178.284 176.300 -0.029 0.000 1.136 221 R CA 2.001 58.092 56.100 -0.015 0.000 0.959 221 R CB -0.395 30.027 30.300 0.202 0.000 0.856 221 R HN 0.673 nan 8.270 nan 0.000 0.437 222 E N 0.032 120.249 120.200 0.028 0.000 2.110 222 E HA -0.226 4.125 4.350 0.001 0.000 0.193 222 E C 2.106 178.772 176.600 0.109 0.000 0.988 222 E CA 1.811 58.243 56.400 0.054 0.000 0.804 222 E CB -0.106 29.672 29.700 0.129 0.000 0.745 222 E HN 0.446 nan 8.360 nan 0.000 0.458 223 M N -0.057 119.581 119.600 0.064 0.000 2.065 223 M HA -0.187 4.293 4.480 0.001 0.000 0.259 223 M C 2.248 178.620 176.300 0.121 0.000 1.069 223 M CA 1.409 56.752 55.300 0.071 0.000 1.110 223 M CB -0.439 31.993 32.600 -0.281 0.000 1.328 223 M HN 0.129 nan 8.290 nan 0.000 0.405 224 F N 1.647 121.414 119.950 -0.306 0.000 2.091 224 F HA -0.249 4.279 4.527 0.001 0.000 0.299 224 F C 2.066 177.779 175.800 -0.144 0.000 1.103 224 F CA 2.056 59.841 58.000 -0.358 0.000 1.228 224 F CB -0.438 38.059 39.000 -0.840 0.000 0.984 224 F HN 0.177 nan 8.300 nan 0.000 0.477 225 E N -1.266 118.782 120.200 -0.255 0.000 2.110 225 E HA -0.230 4.120 4.350 0.001 0.000 0.193 225 E C 2.176 178.605 176.600 -0.284 0.000 0.988 225 E CA 1.264 57.460 56.400 -0.340 0.000 0.804 225 E CB -0.412 29.154 29.700 -0.222 0.000 0.745 225 E HN 0.514 nan 8.360 nan 0.000 0.458 226 H N 0.407 119.421 119.070 -0.095 0.000 2.357 226 H HA -0.049 4.508 4.556 0.001 0.000 0.301 226 H C 2.222 177.461 175.328 -0.148 0.000 1.082 226 H CA 1.072 57.066 56.048 -0.090 0.000 1.342 226 H CB -0.037 29.781 29.762 0.093 0.000 1.389 226 H HN 0.187 nan 8.280 nan 0.000 0.511 227 I N -0.203 120.400 120.570 0.056 0.000 2.252 227 I HA -0.279 3.892 4.170 0.001 0.000 0.245 227 I C 2.619 178.657 176.117 -0.131 0.000 1.102 227 I CA 0.795 62.093 61.300 -0.004 0.000 1.385 227 I CB -0.302 37.715 38.000 0.028 0.000 1.064 227 I HN 0.202 nan 8.210 nan 0.000 0.414 228 C N 0.277 119.406 119.300 -0.285 0.000 2.425 228 C HA -0.150 4.311 4.460 0.001 0.000 0.277 228 C C 2.950 177.830 174.990 -0.183 0.000 1.280 228 C CA 0.799 59.642 59.018 -0.291 0.000 1.744 228 C CB -1.265 26.193 27.740 -0.470 0.000 1.989 228 C HN 0.454 nan 8.230 nan 0.000 0.491 229 R N -0.162 120.212 120.500 -0.211 0.000 2.075 229 R HA -0.144 4.196 4.340 0.001 0.000 0.232 229 R C 2.204 178.377 176.300 -0.213 0.000 1.126 229 R CA 1.621 57.586 56.100 -0.225 0.000 0.963 229 R CB -0.559 29.544 30.300 -0.329 0.000 0.858 229 R HN 0.770 nan 8.270 nan 0.000 0.435 230 H N -0.650 118.186 119.070 -0.391 0.000 2.290 230 H HA -0.119 4.438 4.556 0.001 0.000 0.298 230 H C 1.884 177.238 175.328 0.044 0.000 1.087 230 H CA 1.829 57.740 56.048 -0.228 0.000 1.291 230 H CB 0.151 29.825 29.762 -0.146 0.000 1.369 230 H HN 0.057 nan 8.280 nan 0.000 0.492 231 V N 0.920 120.888 119.914 0.090 0.000 2.287 231 V HA -0.273 3.847 4.120 0.001 0.000 0.248 231 V C 2.607 178.747 176.094 0.077 0.000 1.053 231 V CA 2.189 64.505 62.300 0.027 0.000 1.027 231 V CB -0.655 31.131 31.823 -0.062 0.000 0.646 231 V HN 0.404 nan 8.190 nan 0.000 0.447 232 R N -1.217 119.315 120.500 0.054 0.000 2.083 232 R HA -0.238 4.103 4.340 0.001 0.000 0.237 232 R C 2.374 178.741 176.300 0.111 0.000 1.137 232 R CA 2.338 58.470 56.100 0.054 0.000 0.951 232 R CB -0.468 29.846 30.300 0.024 0.000 0.851 232 R HN 0.658 nan 8.270 nan 0.000 0.434 233 Y N 0.632 120.981 120.300 0.082 0.000 2.089 233 Y HA -0.208 4.343 4.550 0.001 0.000 0.282 233 Y C 2.402 178.400 175.900 0.164 0.000 1.139 233 Y CA 2.174 60.364 58.100 0.151 0.000 1.123 233 Y CB -0.480 38.152 38.460 0.286 0.000 0.980 233 Y HN -0.001 nan 8.280 nan 0.000 0.493 234 S N -0.333 115.524 115.700 0.261 0.000 2.370 234 S HA -0.221 4.250 4.470 0.001 0.000 0.226 234 S C 1.903 176.525 174.600 0.038 0.000 1.033 234 S CA 1.776 60.067 58.200 0.152 0.000 1.011 234 S CB -0.748 62.653 63.200 0.336 0.000 0.852 234 S HN 0.614 nan 8.310 nan 0.000 0.457 235 T N 1.649 116.231 114.554 0.048 0.000 2.684 235 T HA -0.134 4.216 4.350 0.001 0.000 0.267 235 T C 1.071 175.764 174.700 -0.012 0.000 1.036 235 T CA 1.331 63.449 62.100 0.031 0.000 1.148 235 T CB -0.647 68.237 68.868 0.027 0.000 0.863 235 T HN 0.490 nan 8.240 nan 0.000 0.436 236 N N 1.723 120.389 118.700 -0.056 0.000 2.716 236 N HA -0.276 4.464 4.740 0.001 0.000 0.250 236 N C 0.106 175.586 175.510 -0.050 0.000 1.033 236 N CA 0.964 53.962 53.050 -0.088 0.000 0.727 236 N CB -2.159 36.236 38.487 -0.154 0.000 0.950 236 N HN 0.652 nan 8.380 nan 0.000 0.541 237 N N -1.723 116.959 118.700 -0.029 0.000 2.735 237 N HA -0.254 4.487 4.740 0.001 0.000 0.248 237 N C 0.928 176.420 175.510 -0.030 0.000 1.083 237 N CA 1.497 54.532 53.050 -0.026 0.000 0.703 237 N CB -1.262 37.209 38.487 -0.026 0.000 1.005 237 N HN 1.130 nan 8.380 nan 0.000 0.550 238 G N -0.447 108.340 108.800 -0.022 0.000 2.349 238 G HA2 -0.263 3.698 3.960 0.001 0.000 0.213 238 G HA3 -0.263 3.698 3.960 0.001 0.000 0.213 238 G C -0.070 174.819 174.900 -0.018 0.000 1.044 238 G CA 0.144 45.230 45.100 -0.022 0.000 0.633 238 G HN 0.444 nan 8.290 nan 0.000 0.506 239 N N 2.621 121.297 118.700 -0.039 0.000 2.807 239 N HA 0.387 5.128 4.740 0.001 0.000 0.259 239 N C 0.646 176.134 175.510 -0.035 0.000 1.149 239 N CA -0.199 52.814 53.050 -0.061 0.000 1.042 239 N CB 0.126 38.569 38.487 -0.074 0.000 1.367 239 N HN 0.369 nan 8.380 nan 0.000 0.516 240 I N 1.232 121.814 120.570 0.020 0.000 2.845 240 I HA -0.116 4.055 4.170 0.001 0.000 0.296 240 I C 1.019 177.256 176.117 0.200 0.000 1.216 240 I CA 0.728 62.108 61.300 0.134 0.000 1.438 240 I CB -0.200 37.968 38.000 0.279 0.000 1.342 240 I HN 0.207 nan 8.210 nan 0.000 0.577 241 R N 3.725 124.327 120.500 0.170 0.000 2.686 241 R HA 0.444 4.784 4.340 0.001 0.000 0.286 241 R C -0.493 175.966 176.300 0.265 0.000 0.969 241 R CA -0.707 55.511 56.100 0.196 0.000 0.898 241 R CB 2.023 32.276 30.300 -0.078 0.000 1.183 241 R HN 0.560 nan 8.270 nan 0.000 0.456 242 S N 1.156 117.012 115.700 0.260 0.000 2.565 242 S HA 0.641 5.111 4.470 0.001 0.000 0.276 242 S C -0.422 174.278 174.600 0.167 0.000 1.326 242 S CA -0.419 57.855 58.200 0.124 0.000 1.045 242 S CB 1.505 64.705 63.200 0.001 0.000 0.918 242 S HN 0.710 nan 8.310 nan 0.000 0.505 243 A N 2.300 125.192 122.820 0.120 0.000 2.601 243 A HA 0.820 5.141 4.320 0.001 0.000 0.291 243 A C -1.492 176.059 177.584 -0.055 0.000 1.075 243 A CA -0.659 51.362 52.037 -0.026 0.000 0.671 243 A CB 1.083 20.086 19.000 0.006 0.000 1.277 243 A HN 0.810 nan 8.150 nan 0.000 0.417 244 I N 0.212 120.624 120.570 -0.263 0.000 2.752 244 I HA 0.613 4.783 4.170 0.001 0.000 0.295 244 I C -1.228 174.785 176.117 -0.173 0.000 1.219 244 I CA -0.127 61.122 61.300 -0.084 0.000 1.030 244 I CB 2.406 40.382 38.000 -0.040 0.000 1.259 244 I HN 0.595 nan 8.210 nan 0.000 0.423 245 T N 6.335 120.849 114.554 -0.066 0.000 2.772 245 T HA 0.424 4.775 4.350 0.001 0.000 0.288 245 T C -0.624 173.837 174.700 -0.399 0.000 0.994 245 T CA -0.314 61.662 62.100 -0.206 0.000 0.951 245 T CB 1.296 70.034 68.868 -0.216 0.000 0.933 245 T HN 0.265 nan 8.240 nan 0.000 0.447 246 V N 5.351 125.037 119.914 -0.381 0.000 2.383 246 V HA 0.466 4.587 4.120 0.001 0.000 0.275 246 V C -0.349 175.562 176.094 -0.306 0.000 1.036 246 V CA -0.689 61.418 62.300 -0.322 0.000 0.889 246 V CB 0.142 31.774 31.823 -0.319 0.000 0.985 246 V HN 0.671 nan 8.190 nan 0.000 0.459 247 F N 5.081 125.069 119.950 0.063 0.000 2.411 247 F HA 0.538 5.065 4.527 0.001 0.000 0.324 247 F C -1.874 173.961 175.800 0.059 0.000 1.086 247 F CA -2.775 55.242 58.000 0.029 0.000 1.028 247 F CB 0.425 39.498 39.000 0.122 0.000 1.284 247 F HN 0.296 nan 8.300 nan 0.000 0.501 248 P HA -0.057 nan 4.420 nan 0.000 0.261 248 P C -0.971 176.303 177.300 -0.043 0.000 1.165 248 P CA 0.188 63.201 63.100 -0.145 0.000 0.759 248 P CB 0.093 31.395 31.700 -0.664 0.000 0.772 249 Q N 3.011 122.686 119.800 -0.210 0.000 2.474 249 Q HA 0.098 4.439 4.340 0.001 0.000 0.256 249 Q C 0.249 176.055 176.000 -0.323 0.000 1.048 249 Q CA -0.538 54.862 55.803 -0.672 0.000 0.922 249 Q CB 0.651 28.723 28.738 -1.110 0.000 1.288 249 Q HN 0.342 nan 8.270 nan 0.000 0.484 250 R N 1.057 121.373 120.500 -0.307 0.000 2.537 250 R HA 0.023 4.364 4.340 0.001 0.000 0.280 250 R C 0.030 176.246 176.300 -0.139 0.000 1.058 250 R CA 0.677 56.703 56.100 -0.123 0.000 1.057 250 R CB 0.574 30.818 30.300 -0.094 0.000 0.973 250 R HN 0.963 nan 8.270 nan 0.000 0.438 251 S N 2.568 118.228 115.700 -0.067 0.000 2.696 251 S HA -0.042 4.429 4.470 0.001 0.000 0.172 251 S C 0.933 175.490 174.600 -0.071 0.000 0.767 251 S CA 0.237 58.383 58.200 -0.090 0.000 0.856 251 S CB -0.219 62.917 63.200 -0.107 0.000 0.782 251 S HN 0.816 nan 8.310 nan 0.000 0.582 252 D N 0.493 120.855 120.400 -0.064 0.000 2.348 252 D HA 0.252 4.893 4.640 0.001 0.000 0.211 252 D C 1.414 177.720 176.300 0.009 0.000 0.998 252 D CA 0.889 54.868 54.000 -0.035 0.000 0.873 252 D CB -0.377 40.392 40.800 -0.051 0.000 0.925 252 D HN 0.924 nan 8.370 nan 0.000 0.524 253 G N 0.669 109.490 108.800 0.035 0.000 2.157 253 G HA2 -0.303 3.658 3.960 0.001 0.000 0.239 253 G HA3 -0.303 3.658 3.960 0.001 0.000 0.239 253 G C 0.968 175.911 174.900 0.072 0.000 0.982 253 G CA 0.375 45.498 45.100 0.038 0.000 0.650 253 G HN 0.449 nan 8.290 nan 0.000 0.527 254 K N -0.822 119.674 120.400 0.160 0.000 2.391 254 K HA 0.200 4.521 4.320 0.001 0.000 0.197 254 K C 0.397 177.091 176.600 0.157 0.000 1.087 254 K CA 0.185 56.568 56.287 0.160 0.000 1.012 254 K CB 0.423 33.043 32.500 0.200 0.000 0.925 254 K HN 0.417 nan 8.250 nan 0.000 0.547 255 H N 1.160 120.254 119.070 0.040 0.000 2.476 255 H HA 0.222 4.779 4.556 0.001 0.000 0.256 255 H C -1.084 174.328 175.328 0.140 0.000 1.321 255 H CA -0.889 55.204 56.048 0.075 0.000 1.056 255 H CB -0.267 29.558 29.762 0.106 0.000 1.643 255 H HN -0.030 nan 8.280 nan 0.000 0.541 256 D N 0.395 120.900 120.400 0.175 0.000 2.350 256 D HA 0.071 4.712 4.640 0.001 0.000 0.249 256 D C -0.204 176.198 176.300 0.170 0.000 1.119 256 D CA 0.077 54.190 54.000 0.189 0.000 0.886 256 D CB 0.638 41.509 40.800 0.119 0.000 1.195 256 D HN 0.163 nan 8.370 nan 0.000 0.437 257 F N 2.873 122.870 119.950 0.078 0.000 2.332 257 F HA 0.344 4.872 4.527 0.001 0.000 0.368 257 F C 0.774 176.630 175.800 0.094 0.000 1.110 257 F CA -0.625 57.397 58.000 0.036 0.000 1.087 257 F CB 0.691 39.697 39.000 0.011 0.000 1.235 257 F HN 0.179 nan 8.300 nan 0.000 0.470 258 R N 1.624 122.242 120.500 0.197 0.000 2.680 258 R HA 0.757 5.098 4.340 0.001 0.000 0.269 258 R C -2.260 174.229 176.300 0.315 0.000 1.026 258 R CA -1.053 55.208 56.100 0.268 0.000 0.889 258 R CB 1.322 31.762 30.300 0.234 0.000 1.241 258 R HN 0.177 nan 8.270 nan 0.000 0.463 259 V N 2.164 122.271 119.914 0.322 0.000 2.465 259 V HA 0.129 4.250 4.120 0.001 0.000 0.279 259 V C 0.062 176.437 176.094 0.468 0.000 1.045 259 V CA -0.422 62.079 62.300 0.334 0.000 0.938 259 V CB 0.893 32.857 31.823 0.234 0.000 0.986 259 V HN 0.760 nan 8.190 nan 0.000 0.467 260 W N 1.839 123.248 121.300 0.181 0.000 2.518 260 W HA 0.082 4.743 4.660 0.001 0.000 0.273 260 W C 0.954 177.651 176.519 0.296 0.000 1.247 260 W CA -0.655 56.883 57.345 0.323 0.000 1.288 260 W CB -0.848 28.913 29.460 0.502 0.000 1.107 260 W HN 0.509 nan 8.180 nan 0.000 0.586 261 N N 0.341 119.226 118.700 0.309 0.000 2.458 261 N HA 0.208 4.949 4.740 0.001 0.000 0.258 261 N C 1.178 176.588 175.510 -0.166 0.000 1.219 261 N CA 0.755 53.669 53.050 -0.227 0.000 0.902 261 N CB 0.821 39.208 38.487 -0.166 0.000 1.076 261 N HN -0.039 nan 8.380 nan 0.000 0.455 262 A N 2.433 125.085 122.820 -0.280 0.000 1.898 262 A HA -0.107 4.214 4.320 0.001 0.000 0.216 262 A C 0.430 177.921 177.584 -0.155 0.000 1.181 262 A CA 1.361 53.319 52.037 -0.131 0.000 0.620 262 A CB -0.055 18.895 19.000 -0.084 0.000 0.819 262 A HN 0.746 nan 8.150 nan 0.000 0.442 263 Q N -1.706 117.971 119.800 -0.205 0.000 2.423 263 Q HA 0.559 4.900 4.340 0.001 0.000 0.278 263 Q C 0.289 176.144 176.000 -0.242 0.000 1.097 263 Q CA -0.643 55.032 55.803 -0.213 0.000 0.809 263 Q CB 1.905 30.544 28.738 -0.165 0.000 1.391 263 Q HN 0.257 nan 8.270 nan 0.000 0.428 264 L N 0.535 121.612 121.223 -0.243 0.000 1.994 264 L HA -0.035 4.306 4.340 0.001 0.000 0.208 264 L C 0.637 177.343 176.870 -0.273 0.000 1.071 264 L CA 1.385 56.096 54.840 -0.215 0.000 0.745 264 L CB -0.052 41.870 42.059 -0.228 0.000 0.892 264 L HN 0.519 nan 8.230 nan 0.000 0.431 265 I N -0.226 120.098 120.570 -0.410 0.000 2.339 265 I HA 0.346 4.516 4.170 0.001 0.000 0.290 265 I C -0.088 175.404 176.117 -1.041 0.000 0.994 265 I CA -0.302 60.603 61.300 -0.657 0.000 1.191 265 I CB 1.583 39.139 38.000 -0.740 0.000 1.343 265 I HN 0.125 nan 8.210 nan 0.000 0.458 266 R N 4.606 124.613 120.500 -0.822 0.000 2.594 266 R HA 0.406 4.747 4.340 0.001 0.000 0.265 266 R C -1.697 174.369 176.300 -0.390 0.000 1.070 266 R CA -0.699 54.996 56.100 -0.674 0.000 0.909 266 R CB 1.808 31.924 30.300 -0.308 0.000 1.243 266 R HN 0.307 nan 8.270 nan 0.000 0.455 267 Y N 0.957 121.238 120.300 -0.033 0.000 2.326 267 Y HA 0.436 4.986 4.550 0.001 0.000 0.333 267 Y C 0.922 176.845 175.900 0.038 0.000 1.240 267 Y CA -0.156 57.990 58.100 0.077 0.000 1.365 267 Y CB 0.913 39.538 38.460 0.274 0.000 1.289 267 Y HN 0.675 nan 8.280 nan 0.000 0.548 268 A N 0.860 123.788 122.820 0.180 0.000 2.304 268 A HA 0.685 5.005 4.320 0.001 0.000 0.271 268 A C 0.357 177.784 177.584 -0.262 0.000 1.091 268 A CA 0.149 52.101 52.037 -0.142 0.000 0.812 268 A CB -0.051 18.764 19.000 -0.309 0.000 1.056 268 A HN 0.910 nan 8.150 nan 0.000 0.489 269 G N 0.082 108.637 108.800 -0.409 0.000 2.737 269 G HA2 0.570 4.530 3.960 0.001 0.000 0.290 269 G HA3 0.570 4.530 3.960 0.001 0.000 0.290 269 G C -1.339 173.382 174.900 -0.298 0.000 1.482 269 G CA -0.244 44.698 45.100 -0.263 0.000 1.017 269 G HN 0.511 nan 8.290 nan 0.000 0.529 270 Y N 0.439 120.799 120.300 0.099 0.000 2.393 270 Y HA 0.499 5.050 4.550 0.001 0.000 0.341 270 Y C 0.476 176.445 175.900 0.116 0.000 0.988 270 Y CA -0.970 57.210 58.100 0.133 0.000 1.078 270 Y CB 2.328 40.926 38.460 0.230 0.000 1.203 270 Y HN 0.448 nan 8.280 nan 0.000 0.453 271 Q N 4.081 124.039 119.800 0.263 0.000 2.377 271 Q HA 0.318 4.658 4.340 0.001 0.000 0.249 271 Q C -0.802 175.287 176.000 0.149 0.000 1.005 271 Q CA -0.820 55.079 55.803 0.160 0.000 0.912 271 Q CB 0.551 29.355 28.738 0.110 0.000 1.223 271 Q HN 0.594 nan 8.270 nan 0.000 0.459 272 M N 4.527 124.192 119.600 0.109 0.000 2.232 272 M HA 0.130 4.611 4.480 0.001 0.000 0.321 272 M C -1.626 174.679 176.300 0.009 0.000 1.101 272 M CA -2.295 53.029 55.300 0.039 0.000 1.181 272 M CB -0.574 32.035 32.600 0.014 0.000 1.432 272 M HN 0.397 nan 8.290 nan 0.000 0.457 273 P HA -0.179 nan 4.420 nan 0.000 0.216 273 P C 0.567 177.856 177.300 -0.018 0.000 1.150 273 P CA 1.418 64.499 63.100 -0.032 0.000 0.843 273 P CB -0.050 31.612 31.700 -0.064 0.000 0.787 274 D N -1.872 118.517 120.400 -0.019 0.000 2.352 274 D HA 0.013 4.654 4.640 0.001 0.000 0.232 274 D C 1.470 177.771 176.300 0.001 0.000 1.055 274 D CA 0.897 54.891 54.000 -0.011 0.000 0.891 274 D CB -0.820 39.971 40.800 -0.015 0.000 0.897 274 D HN 0.280 nan 8.370 nan 0.000 0.529 275 G N 0.353 109.158 108.800 0.009 0.000 2.268 275 G HA2 -0.328 3.633 3.960 0.001 0.000 0.240 275 G HA3 -0.328 3.633 3.960 0.001 0.000 0.240 275 G C 0.549 175.465 174.900 0.026 0.000 1.010 275 G CA 0.520 45.631 45.100 0.019 0.000 0.618 275 G HN 0.850 nan 8.290 nan 0.000 0.516 276 S N 0.124 115.836 115.700 0.021 0.000 2.606 276 S HA 0.638 5.109 4.470 0.001 0.000 0.257 276 S C 0.260 174.885 174.600 0.042 0.000 1.327 276 S CA 0.135 58.351 58.200 0.026 0.000 0.984 276 S CB 1.175 64.386 63.200 0.018 0.000 0.941 276 S HN 0.794 nan 8.310 nan 0.000 0.576 277 I N 0.642 121.236 120.570 0.040 0.000 2.498 277 I HA 0.451 4.622 4.170 0.001 0.000 0.290 277 I C 0.169 176.316 176.117 0.051 0.000 1.032 277 I CA -0.549 60.785 61.300 0.056 0.000 1.073 277 I CB 1.965 39.985 38.000 0.033 0.000 1.251 277 I HN 0.650 nan 8.210 nan 0.000 0.426 278 R N 4.363 124.933 120.500 0.115 0.000 2.338 278 R HA 0.700 5.041 4.340 0.001 0.000 0.317 278 R C 0.177 176.550 176.300 0.121 0.000 0.968 278 R CA 0.358 56.535 56.100 0.127 0.000 0.849 278 R CB 1.486 31.911 30.300 0.209 0.000 1.128 278 R HN 0.936 nan 8.270 nan 0.000 0.448 279 G N 2.877 111.672 108.800 -0.009 0.000 2.466 279 G HA2 -0.250 3.711 3.960 0.001 0.000 0.218 279 G HA3 -0.250 3.711 3.960 0.001 0.000 0.218 279 G C -1.230 173.422 174.900 -0.413 0.000 1.237 279 G CA -0.153 44.911 45.100 -0.060 0.000 0.954 279 G HN 0.617 nan 8.290 nan 0.000 0.580 280 D N 1.705 122.000 120.400 -0.176 0.000 2.411 280 D HA 0.530 5.170 4.640 0.001 0.000 0.225 280 D C -0.878 175.375 176.300 -0.079 0.000 1.156 280 D CA -1.908 51.988 54.000 -0.173 0.000 0.874 280 D CB 1.267 42.260 40.800 0.322 0.000 1.034 280 D HN -0.010 nan 8.370 nan 0.000 0.502 281 P HA -0.138 nan 4.420 nan 0.000 0.217 281 P C 0.940 178.258 177.300 0.030 0.000 1.148 281 P CA 1.182 64.263 63.100 -0.031 0.000 0.828 281 P CB 0.264 31.943 31.700 -0.034 0.000 0.783 282 A N -1.037 121.821 122.820 0.062 0.000 2.067 282 A HA -0.158 4.163 4.320 0.001 0.000 0.219 282 A C 1.991 179.641 177.584 0.110 0.000 1.158 282 A CA 1.238 53.334 52.037 0.099 0.000 0.661 282 A CB -1.261 17.817 19.000 0.129 0.000 0.801 282 A HN 0.221 nan 8.150 nan 0.000 0.452 283 N N -0.146 118.613 118.700 0.098 0.000 2.251 283 N HA 0.130 4.870 4.740 0.001 0.000 0.217 283 N C 0.932 176.485 175.510 0.070 0.000 1.124 283 N CA 0.078 53.189 53.050 0.102 0.000 0.843 283 N CB 0.299 38.846 38.487 0.099 0.000 1.024 283 N HN 0.198 nan 8.380 nan 0.000 0.501 284 V N 0.895 120.837 119.914 0.047 0.000 2.261 284 V HA -0.222 3.898 4.120 0.001 0.000 0.246 284 V C 2.319 178.424 176.094 0.018 0.000 1.047 284 V CA 1.739 64.052 62.300 0.021 0.000 1.015 284 V CB -0.487 31.359 31.823 0.038 0.000 0.642 284 V HN 0.425 nan 8.190 nan 0.000 0.446 285 E N -0.424 119.801 120.200 0.042 0.000 2.058 285 E HA -0.291 4.060 4.350 0.001 0.000 0.194 285 E C 2.120 178.642 176.600 -0.129 0.000 0.997 285 E CA 1.901 58.298 56.400 -0.005 0.000 0.801 285 E CB -0.241 29.503 29.700 0.074 0.000 0.746 285 E HN 0.537 nan 8.360 nan 0.000 0.450 286 F N 1.501 121.309 119.950 -0.237 0.000 2.134 286 F HA -0.214 4.313 4.527 0.001 0.000 0.299 286 F C 2.602 178.242 175.800 -0.267 0.000 1.097 286 F CA 2.279 60.058 58.000 -0.367 0.000 1.264 286 F CB -0.712 38.153 39.000 -0.225 0.000 1.001 286 F HN 0.136 nan 8.300 nan 0.000 0.479 287 T N -2.186 112.297 114.554 -0.119 0.000 2.746 287 T HA -0.239 4.112 4.350 0.001 0.000 0.267 287 T C 1.949 176.549 174.700 -0.167 0.000 1.039 287 T CA 1.256 63.243 62.100 -0.187 0.000 1.142 287 T CB -0.629 68.153 68.868 -0.143 0.000 0.866 287 T HN 0.240 nan 8.240 nan 0.000 0.444 288 Q N 0.673 120.398 119.800 -0.126 0.000 2.112 288 Q HA -0.050 4.291 4.340 0.001 0.000 0.206 288 Q C 2.299 178.201 176.000 -0.164 0.000 0.987 288 Q CA 1.288 57.041 55.803 -0.083 0.000 0.858 288 Q CB -0.796 27.906 28.738 -0.059 0.000 0.905 288 Q HN 0.570 nan 8.270 nan 0.000 0.420 289 L N 0.022 121.050 121.223 -0.325 0.000 1.994 289 L HA -0.193 4.147 4.340 0.001 0.000 0.208 289 L C 2.442 179.115 176.870 -0.329 0.000 1.071 289 L CA 1.850 56.467 54.840 -0.373 0.000 0.745 289 L CB -0.970 40.716 42.059 -0.621 0.000 0.892 289 L HN 0.223 nan 8.230 nan 0.000 0.431 290 C N -0.291 118.740 119.300 -0.448 0.000 2.403 290 C HA -0.199 4.261 4.460 0.001 0.000 0.277 290 C C 2.726 177.703 174.990 -0.022 0.000 1.248 290 C CA 1.033 59.864 59.018 -0.310 0.000 1.762 290 C CB -1.148 26.316 27.740 -0.460 0.000 2.014 290 C HN 0.596 nan 8.230 nan 0.000 0.486 291 I N 1.145 121.741 120.570 0.043 0.000 2.179 291 I HA -0.194 3.977 4.170 0.001 0.000 0.242 291 I C 2.141 178.255 176.117 -0.005 0.000 1.088 291 I CA 1.631 62.987 61.300 0.093 0.000 1.357 291 I CB -0.627 37.425 38.000 0.086 0.000 1.051 291 I HN 0.319 nan 8.210 nan 0.000 0.409 292 D N 0.883 121.245 120.400 -0.063 0.000 2.182 292 D HA -0.135 4.505 4.640 0.001 0.000 0.201 292 D C 2.035 178.262 176.300 -0.122 0.000 0.986 292 D CA 1.233 55.173 54.000 -0.099 0.000 0.847 292 D CB -0.190 40.532 40.800 -0.131 0.000 0.942 292 D HN 0.355 nan 8.370 nan 0.000 0.467 293 L N -0.769 120.382 121.223 -0.119 0.000 2.599 293 L HA 0.190 4.531 4.340 0.001 0.000 0.230 293 L C 1.630 178.453 176.870 -0.079 0.000 1.141 293 L CA 0.416 55.181 54.840 -0.125 0.000 0.877 293 L CB 0.060 42.031 42.059 -0.146 0.000 1.009 293 L HN 0.161 nan 8.230 nan 0.000 0.447 294 G N -1.346 107.430 108.800 -0.040 0.000 2.253 294 G HA2 -0.293 3.667 3.960 0.001 0.000 0.209 294 G HA3 -0.293 3.667 3.960 0.001 0.000 0.209 294 G C -0.080 174.838 174.900 0.030 0.000 0.997 294 G CA -0.410 44.675 45.100 -0.026 0.000 0.640 294 G HN 0.262 nan 8.290 nan 0.000 0.496 295 W N 4.185 125.409 121.300 -0.127 0.000 2.264 295 W HA 0.537 5.197 4.660 0.001 0.000 0.331 295 W C 0.905 177.371 176.519 -0.089 0.000 1.364 295 W CA 0.313 57.593 57.345 -0.107 0.000 1.253 295 W CB 0.529 29.923 29.460 -0.110 0.000 1.215 295 W HN 0.372 nan 8.180 nan 0.000 0.561 296 K N 8.473 128.493 120.400 -0.632 0.000 2.248 296 K HA 0.435 4.756 4.320 0.001 0.000 0.281 296 K C -2.373 173.558 176.600 -1.115 0.000 1.054 296 K CA -1.643 54.268 56.287 -0.627 0.000 0.903 296 K CB 1.003 33.259 32.500 -0.408 0.000 1.077 296 K HN 0.191 nan 8.250 nan 0.000 0.474 297 P HA -0.034 nan 4.420 nan 0.000 0.267 297 P C -0.663 176.126 177.300 -0.852 0.000 1.205 297 P CA -0.231 62.330 63.100 -0.899 0.000 0.765 297 P CB 0.768 31.882 31.700 -0.976 0.000 0.828 298 K N 1.842 121.875 120.400 -0.611 0.000 2.374 298 K HA 0.043 4.364 4.320 0.001 0.000 0.196 298 K C 0.169 176.621 176.600 -0.246 0.000 1.023 298 K CA -0.446 55.660 56.287 -0.302 0.000 1.103 298 K CB -0.498 31.953 32.500 -0.081 0.000 0.848 298 K HN 0.389 nan 8.250 nan 0.000 0.528 299 Y N 0.629 120.535 120.300 -0.657 0.000 3.001 299 Y HA -0.230 4.320 4.550 0.001 0.000 0.207 299 Y C 0.857 176.611 175.900 -0.243 0.000 1.231 299 Y CA 0.797 58.395 58.100 -0.836 0.000 1.024 299 Y CB -1.955 36.173 38.460 -0.553 0.000 1.267 299 Y HN 0.165 nan 8.280 nan 0.000 0.501 300 G N -0.509 108.385 108.800 0.156 0.000 2.533 300 G HA2 0.580 4.540 3.960 0.001 0.000 0.304 300 G HA3 0.580 4.540 3.960 0.001 0.000 0.304 300 G C 0.414 175.442 174.900 0.213 0.000 1.263 300 G CA -1.086 44.120 45.100 0.175 0.000 0.964 300 G HN 0.230 nan 8.290 nan 0.000 0.479 301 R N -0.532 119.965 120.500 -0.005 0.000 2.115 301 R HA -0.008 4.333 4.340 0.001 0.000 0.230 301 R C -0.062 175.920 176.300 -0.531 0.000 1.111 301 R CA 1.132 57.064 56.100 -0.280 0.000 0.976 301 R CB -0.079 29.881 30.300 -0.567 0.000 0.870 301 R HN 0.382 nan 8.270 nan 0.000 0.445 302 F N 1.025 120.953 119.950 -0.037 0.000 2.542 302 F HA 0.262 4.789 4.527 0.001 0.000 0.323 302 F C -0.872 174.854 175.800 -0.124 0.000 1.411 302 F CA -1.327 56.392 58.000 -0.468 0.000 1.124 302 F CB 0.598 39.180 39.000 -0.697 0.000 1.331 302 F HN -0.292 nan 8.300 nan 0.000 0.560 303 D N 1.320 121.888 120.400 0.280 0.000 2.317 303 D HA 0.267 4.908 4.640 0.001 0.000 0.234 303 D C -0.020 176.539 176.300 0.432 0.000 1.112 303 D CA -0.125 54.109 54.000 0.391 0.000 0.840 303 D CB 2.258 43.347 40.800 0.481 0.000 1.078 303 D HN -0.046 nan 8.370 nan 0.000 0.486 304 V N 3.271 123.412 119.914 0.379 0.000 2.479 304 V HA 0.046 4.166 4.120 0.001 0.000 0.281 304 V C 1.040 177.162 176.094 0.046 0.000 1.031 304 V CA -0.584 61.828 62.300 0.187 0.000 1.038 304 V CB 0.667 32.553 31.823 0.104 0.000 0.981 304 V HN 0.372 nan 8.190 nan 0.000 0.478 305 V N 5.398 125.231 119.914 -0.136 0.000 3.237 305 V HA 0.417 4.537 4.120 0.001 0.000 0.305 305 V C -1.538 174.337 176.094 -0.365 0.000 1.096 305 V CA -1.195 60.838 62.300 -0.444 0.000 1.130 305 V CB 0.230 31.883 31.823 -0.283 0.000 1.048 305 V HN 0.766 nan 8.190 nan 0.000 0.484 306 P HA 0.318 nan 4.420 nan 0.000 0.278 306 P C -1.039 176.199 177.300 -0.103 0.000 1.266 306 P CA -0.676 62.247 63.100 -0.295 0.000 0.807 306 P CB 0.976 32.414 31.700 -0.437 0.000 1.094 307 L N 1.246 122.481 121.223 0.019 0.000 2.265 307 L HA 0.174 4.515 4.340 0.001 0.000 0.288 307 L C -0.097 176.837 176.870 0.107 0.000 1.058 307 L CA -0.308 54.597 54.840 0.107 0.000 0.809 307 L CB 0.621 42.798 42.059 0.196 0.000 1.179 307 L HN 0.063 nan 8.230 nan 0.000 0.429 308 V N 6.512 126.495 119.914 0.114 0.000 2.304 308 V HA 0.251 4.372 4.120 0.001 0.000 0.262 308 V C -0.097 175.943 176.094 -0.090 0.000 1.061 308 V CA -0.632 61.652 62.300 -0.027 0.000 0.872 308 V CB 0.768 32.583 31.823 -0.012 0.000 1.077 308 V HN 0.358 nan 8.190 nan 0.000 0.480 309 L N 4.497 125.678 121.223 -0.069 0.000 2.275 309 L HA 0.495 4.836 4.340 0.001 0.000 0.288 309 L C 0.086 176.825 176.870 -0.219 0.000 1.046 309 L CA 0.242 55.025 54.840 -0.096 0.000 0.805 309 L CB 1.376 43.395 42.059 -0.066 0.000 1.193 309 L HN 0.642 nan 8.230 nan 0.000 0.426 310 Q N 2.692 122.367 119.800 -0.208 0.000 2.348 310 Q HA 0.770 5.111 4.340 0.001 0.000 0.265 310 Q C -1.294 174.506 176.000 -0.333 0.000 0.998 310 Q CA -0.640 55.030 55.803 -0.221 0.000 0.831 310 Q CB 1.713 30.471 28.738 0.032 0.000 1.251 310 Q HN 0.773 nan 8.270 nan 0.000 0.456 311 A N 4.217 126.755 122.820 -0.470 0.000 2.331 311 A HA 0.426 4.747 4.320 0.001 0.000 0.320 311 A C 0.177 177.213 177.584 -0.913 0.000 1.138 311 A CA -0.441 51.003 52.037 -0.987 0.000 0.790 311 A CB 0.843 19.478 19.000 -0.609 0.000 1.206 311 A HN 1.007 nan 8.150 nan 0.000 0.470 312 N N 0.539 118.375 118.700 -1.439 0.000 2.708 312 N HA -0.236 4.504 4.740 0.001 0.000 0.251 312 N C 1.069 176.415 175.510 -0.274 0.000 1.123 312 N CA 2.502 55.299 53.050 -0.422 0.000 0.739 312 N CB -0.931 37.468 38.487 -0.147 0.000 1.113 312 N HN 2.163 nan 8.380 nan 0.000 0.561 313 G N -1.058 107.603 108.800 -0.232 0.000 2.205 313 G HA2 -0.373 3.587 3.960 0.001 0.000 0.261 313 G HA3 -0.373 3.587 3.960 0.001 0.000 0.261 313 G C 0.392 175.272 174.900 -0.032 0.000 0.980 313 G CA 0.746 45.790 45.100 -0.093 0.000 0.632 313 G HN 0.588 nan 8.290 nan 0.000 0.533 314 R N 0.722 121.151 120.500 -0.118 0.000 2.863 314 R HA 0.335 4.675 4.340 0.001 0.000 0.273 314 R C 0.016 176.309 176.300 -0.013 0.000 1.057 314 R CA -0.187 55.882 56.100 -0.053 0.000 1.191 314 R CB 0.137 30.377 30.300 -0.100 0.000 1.104 314 R HN 0.224 nan 8.270 nan 0.000 0.519 315 D N 2.145 122.563 120.400 0.030 0.000 2.423 315 D HA 0.055 4.696 4.640 0.001 0.000 0.238 315 D C -1.963 174.221 176.300 -0.193 0.000 1.142 315 D CA -0.818 53.156 54.000 -0.043 0.000 0.884 315 D CB 0.291 41.221 40.800 0.217 0.000 1.199 315 D HN 0.248 nan 8.370 nan 0.000 0.438 316 P HA 0.195 nan 4.420 nan 0.000 0.276 316 P C -0.781 176.371 177.300 -0.246 0.000 1.244 316 P CA -0.332 62.489 63.100 -0.464 0.000 0.801 316 P CB 1.206 32.285 31.700 -1.034 0.000 1.006 317 E N 0.461 120.566 120.200 -0.160 0.000 2.293 317 E HA 0.417 4.768 4.350 0.001 0.000 0.270 317 E C -0.601 175.905 176.600 -0.158 0.000 0.879 317 E CA -0.899 55.410 56.400 -0.152 0.000 0.756 317 E CB 1.799 31.436 29.700 -0.105 0.000 1.208 317 E HN 0.359 nan 8.360 nan 0.000 0.428 318 L N 2.266 123.288 121.223 -0.335 0.000 2.371 318 L HA 0.469 4.810 4.340 0.001 0.000 0.272 318 L C -0.676 175.828 176.870 -0.609 0.000 1.124 318 L CA -0.233 54.435 54.840 -0.286 0.000 0.816 318 L CB 0.188 42.120 42.059 -0.213 0.000 1.129 318 L HN 0.451 nan 8.230 nan 0.000 0.448 319 F N 0.438 120.216 119.950 -0.288 0.000 2.730 319 F HA 0.277 4.805 4.527 0.001 0.000 0.335 319 F C 0.153 175.766 175.800 -0.311 0.000 1.212 319 F CA -0.659 57.022 58.000 -0.532 0.000 1.016 319 F CB 1.393 39.749 39.000 -1.074 0.000 1.290 319 F HN 0.421 nan 8.300 nan 0.000 0.495 320 E N 3.876 124.045 120.200 -0.051 0.000 2.344 320 E HA 0.282 4.633 4.350 0.001 0.000 0.270 320 E C -0.158 176.583 176.600 0.235 0.000 1.021 320 E CA -0.212 56.245 56.400 0.096 0.000 0.887 320 E CB 1.271 31.049 29.700 0.131 0.000 0.997 320 E HN 0.495 nan 8.360 nan 0.000 0.429 321 I N 5.511 126.229 120.570 0.248 0.000 2.471 321 I HA 0.068 4.238 4.170 0.001 0.000 0.286 321 I C -2.002 174.232 176.117 0.195 0.000 1.079 321 I CA -1.928 59.540 61.300 0.280 0.000 1.398 321 I CB 0.271 38.356 38.000 0.142 0.000 1.403 321 I HN 0.172 nan 8.210 nan 0.000 0.530 322 P HA 0.009 nan 4.420 nan 0.000 0.261 322 P C -1.743 175.609 177.300 0.086 0.000 1.203 322 P CA -0.846 62.333 63.100 0.130 0.000 0.767 322 P CB 0.042 31.803 31.700 0.103 0.000 0.785 323 P HA -0.240 nan 4.420 nan 0.000 0.219 323 P C 0.589 177.920 177.300 0.051 0.000 1.144 323 P CA 1.448 64.591 63.100 0.072 0.000 0.806 323 P CB 0.133 31.881 31.700 0.080 0.000 0.771 324 D N 0.079 120.506 120.400 0.045 0.000 2.178 324 D HA -0.076 4.564 4.640 0.001 0.000 0.201 324 D C 1.995 178.307 176.300 0.021 0.000 0.980 324 D CA 0.914 54.932 54.000 0.030 0.000 0.842 324 D CB -0.138 40.678 40.800 0.027 0.000 0.948 324 D HN 0.317 nan 8.370 nan 0.000 0.472 325 L N 0.903 122.138 121.223 0.020 0.000 2.492 325 L HA 0.024 4.364 4.340 0.001 0.000 0.223 325 L C 0.653 177.526 176.870 0.006 0.000 1.132 325 L CA 0.114 54.958 54.840 0.006 0.000 0.850 325 L CB 0.361 42.414 42.059 -0.009 0.000 0.966 325 L HN -0.207 nan 8.230 nan 0.000 0.454 326 V N 2.315 122.239 119.914 0.016 0.000 2.322 326 V HA 0.120 4.240 4.120 0.001 0.000 0.258 326 V C 0.011 176.123 176.094 0.030 0.000 1.074 326 V CA -0.432 61.877 62.300 0.015 0.000 0.909 326 V CB 0.999 32.834 31.823 0.021 0.000 1.090 326 V HN 0.062 nan 8.190 nan 0.000 0.486 327 L N 5.800 127.042 121.223 0.031 0.000 2.313 327 L HA 0.492 4.832 4.340 0.001 0.000 0.282 327 L C 0.139 177.029 176.870 0.033 0.000 1.092 327 L CA 0.689 55.542 54.840 0.021 0.000 0.831 327 L CB 0.526 42.592 42.059 0.011 0.000 1.159 327 L HN 0.635 nan 8.230 nan 0.000 0.442 328 E N 3.199 123.402 120.200 0.005 0.000 2.299 328 E HA 0.674 5.025 4.350 0.001 0.000 0.260 328 E C -1.425 175.110 176.600 -0.108 0.000 0.944 328 E CA -1.090 55.310 56.400 -0.000 0.000 0.815 328 E CB 2.425 32.150 29.700 0.042 0.000 1.252 328 E HN 0.395 nan 8.360 nan 0.000 0.418 329 V N 1.342 121.171 119.914 -0.141 0.000 2.483 329 V HA 0.451 4.572 4.120 0.001 0.000 0.297 329 V C -0.508 175.527 176.094 -0.098 0.000 1.027 329 V CA -0.820 61.333 62.300 -0.245 0.000 0.855 329 V CB 1.475 32.915 31.823 -0.639 0.000 0.995 329 V HN 0.788 nan 8.190 nan 0.000 0.424 330 A N 6.898 129.669 122.820 -0.082 0.000 2.409 330 A HA 0.685 5.006 4.320 0.001 0.000 0.262 330 A C 0.069 177.665 177.584 0.021 0.000 1.113 330 A CA -0.328 51.695 52.037 -0.024 0.000 0.790 330 A CB 0.202 19.192 19.000 -0.017 0.000 1.046 330 A HN 0.700 nan 8.150 nan 0.000 0.496 331 M N 2.788 122.447 119.600 0.099 0.000 2.146 331 M HA 0.309 4.790 4.480 0.001 0.000 0.357 331 M C 0.121 176.541 176.300 0.200 0.000 1.261 331 M CA 0.331 55.734 55.300 0.172 0.000 1.106 331 M CB 0.020 32.813 32.600 0.323 0.000 1.612 331 M HN 0.858 nan 8.290 nan 0.000 0.470 332 E N 1.749 121.986 120.200 0.060 0.000 2.335 332 E HA 0.343 4.694 4.350 0.001 0.000 0.280 332 E C -1.335 175.198 176.600 -0.112 0.000 0.918 332 E CA -0.840 55.596 56.400 0.061 0.000 0.765 332 E CB 1.765 31.522 29.700 0.095 0.000 1.218 332 E HN 0.632 nan 8.360 nan 0.000 0.425 333 H N 3.967 122.811 119.070 -0.376 0.000 2.525 333 H HA 0.195 4.752 4.556 0.001 0.000 0.339 333 H C -1.592 173.519 175.328 -0.362 0.000 1.109 333 H CA -1.957 53.793 56.048 -0.497 0.000 1.352 333 H CB 1.730 31.100 29.762 -0.654 0.000 1.461 333 H HN 0.481 nan 8.280 nan 0.000 0.533 334 P HA -0.131 nan 4.420 nan 0.000 0.215 334 P C 0.660 177.803 177.300 -0.262 0.000 1.153 334 P CA 1.468 64.145 63.100 -0.706 0.000 0.853 334 P CB 0.750 31.836 31.700 -1.023 0.000 0.788 335 K N -1.467 118.884 120.400 -0.082 0.000 2.121 335 K HA 0.030 4.351 4.320 0.001 0.000 0.203 335 K C 0.581 177.233 176.600 0.086 0.000 1.041 335 K CA 0.487 56.764 56.287 -0.017 0.000 0.969 335 K CB -0.237 32.197 32.500 -0.110 0.000 0.799 335 K HN 0.068 nan 8.250 nan 0.000 0.456 336 Y N 3.059 123.280 120.300 -0.132 0.000 2.624 336 Y HA 0.061 4.611 4.550 0.001 0.000 0.354 336 Y C 1.017 176.629 175.900 -0.479 0.000 1.051 336 Y CA -0.621 57.132 58.100 -0.578 0.000 1.377 336 Y CB -0.299 37.364 38.460 -1.328 0.000 1.168 336 Y HN 0.159 nan 8.280 nan 0.000 0.525 337 E N 3.115 123.267 120.200 -0.080 0.000 2.274 337 E HA -0.152 4.198 4.350 0.001 0.000 0.194 337 E C 1.417 178.063 176.600 0.076 0.000 0.996 337 E CA 0.845 57.258 56.400 0.022 0.000 0.840 337 E CB -0.070 29.680 29.700 0.083 0.000 0.772 337 E HN 0.882 nan 8.360 nan 0.000 0.491 338 W N -0.174 121.224 121.300 0.162 0.000 2.611 338 W HA -0.050 4.611 4.660 0.001 0.000 0.251 338 W C 1.277 177.859 176.519 0.105 0.000 1.265 338 W CA -0.199 57.200 57.345 0.090 0.000 1.295 338 W CB -0.774 28.694 29.460 0.013 0.000 1.129 338 W HN -0.054 nan 8.180 nan 0.000 0.630 339 F N 2.782 122.614 119.950 -0.198 0.000 2.134 339 F HA -0.140 4.387 4.527 0.001 0.000 0.299 339 F C 2.702 178.546 175.800 0.074 0.000 1.097 339 F CA 2.100 60.039 58.000 -0.101 0.000 1.264 339 F CB -0.354 38.489 39.000 -0.262 0.000 1.001 339 F HN -0.257 nan 8.300 nan 0.000 0.479 340 R N 0.125 120.787 120.500 0.271 0.000 2.127 340 R HA -0.197 4.143 4.340 0.001 0.000 0.238 340 R C 1.949 178.338 176.300 0.149 0.000 1.134 340 R CA 1.728 57.949 56.100 0.201 0.000 0.975 340 R CB -0.617 29.771 30.300 0.147 0.000 0.865 340 R HN 0.429 nan 8.270 nan 0.000 0.447 341 E N 0.757 121.049 120.200 0.154 0.000 2.204 341 E HA -0.152 4.199 4.350 0.001 0.000 0.195 341 E C 1.863 178.508 176.600 0.075 0.000 0.990 341 E CA 0.778 57.249 56.400 0.119 0.000 0.821 341 E CB -0.075 29.711 29.700 0.144 0.000 0.750 341 E HN 0.351 nan 8.360 nan 0.000 0.477 342 L N 0.631 121.875 121.223 0.036 0.000 2.275 342 L HA -0.090 4.250 4.340 0.001 0.000 0.215 342 L C 0.280 177.172 176.870 0.036 0.000 1.119 342 L CA 0.566 55.387 54.840 -0.031 0.000 0.790 342 L CB -0.463 41.465 42.059 -0.219 0.000 0.919 342 L HN 0.115 nan 8.230 nan 0.000 0.443 343 E N 0.805 121.052 120.200 0.078 0.000 2.246 343 E HA -0.198 4.152 4.350 0.001 0.000 0.211 343 E C -0.634 176.060 176.600 0.157 0.000 1.278 343 E CA 0.022 56.493 56.400 0.118 0.000 0.694 343 E CB -1.491 28.287 29.700 0.130 0.000 1.166 343 E HN 0.402 nan 8.360 nan 0.000 0.370 344 L N 0.690 121.969 121.223 0.094 0.000 2.334 344 L HA 0.673 5.014 4.340 0.001 0.000 0.270 344 L C 0.454 177.271 176.870 -0.087 0.000 1.018 344 L CA -0.549 54.301 54.840 0.016 0.000 0.811 344 L CB 1.443 43.440 42.059 -0.104 0.000 1.271 344 L HN 0.209 nan 8.230 nan 0.000 0.443 345 K N -0.263 119.949 120.400 -0.313 0.000 2.617 345 K HA 0.522 4.843 4.320 0.001 0.000 0.293 345 K C -2.052 174.592 176.600 0.072 0.000 1.034 345 K CA -1.072 55.117 56.287 -0.164 0.000 0.884 345 K CB 2.165 34.476 32.500 -0.315 0.000 1.541 345 K HN 0.595 nan 8.250 nan 0.000 0.409 346 W N 1.471 122.739 121.300 -0.053 0.000 3.275 346 W HA 0.285 4.945 4.660 0.001 0.000 0.306 346 W C -1.376 175.185 176.519 0.070 0.000 1.259 346 W CA -0.770 56.602 57.345 0.045 0.000 1.194 346 W CB 1.325 30.689 29.460 -0.160 0.000 1.375 346 W HN 0.683 nan 8.180 nan 0.000 0.564 347 Y N 1.265 121.376 120.300 -0.315 0.000 2.379 347 Y HA 0.484 5.035 4.550 0.001 0.000 0.337 347 Y C 0.811 176.862 175.900 0.250 0.000 1.238 347 Y CA 0.318 58.349 58.100 -0.115 0.000 1.405 347 Y CB 0.091 38.357 38.460 -0.323 0.000 1.310 347 Y HN 0.333 nan 8.280 nan 0.000 0.569 348 A N 2.159 125.201 122.820 0.370 0.000 2.081 348 A HA 0.149 4.470 4.320 0.001 0.000 0.214 348 A C 0.379 178.274 177.584 0.520 0.000 1.158 348 A CA 0.103 52.424 52.037 0.473 0.000 0.724 348 A CB -0.166 18.972 19.000 0.229 0.000 0.826 348 A HN 0.641 nan 8.150 nan 0.000 0.463 349 L N 2.228 123.696 121.223 0.409 0.000 2.264 349 L HA 0.388 4.728 4.340 0.001 0.000 0.287 349 L C -2.493 174.472 176.870 0.159 0.000 1.039 349 L CA -2.144 52.834 54.840 0.230 0.000 0.829 349 L CB 1.515 43.635 42.059 0.100 0.000 1.211 349 L HN -0.004 nan 8.230 nan 0.000 0.427 350 P HA 0.360 nan 4.420 nan 0.000 0.291 350 P C -1.436 175.711 177.300 -0.254 0.000 1.340 350 P CA -0.347 62.540 63.100 -0.355 0.000 0.799 350 P CB 1.417 32.529 31.700 -0.980 0.000 0.917 351 A N 4.266 126.951 122.820 -0.224 0.000 2.385 351 A HA 0.459 4.780 4.320 0.001 0.000 0.290 351 A C -0.498 176.836 177.584 -0.416 0.000 1.094 351 A CA -0.655 51.181 52.037 -0.336 0.000 0.729 351 A CB 1.198 20.007 19.000 -0.320 0.000 1.194 351 A HN 0.284 nan 8.150 nan 0.000 0.442 352 V N 2.537 122.041 119.914 -0.683 0.000 2.455 352 V HA 0.436 4.556 4.120 0.001 0.000 0.273 352 V C 1.142 176.785 176.094 -0.751 0.000 1.045 352 V CA 0.807 62.665 62.300 -0.736 0.000 0.976 352 V CB 0.720 31.957 31.823 -0.977 0.000 0.993 352 V HN 1.118 nan 8.190 nan 0.000 0.475 353 A N 4.370 126.968 122.820 -0.370 0.000 2.026 353 A HA 0.061 4.382 4.320 0.001 0.000 0.201 353 A C 1.628 179.181 177.584 -0.052 0.000 1.318 353 A CA 0.568 52.493 52.037 -0.187 0.000 0.857 353 A CB -0.339 18.608 19.000 -0.089 0.000 0.939 353 A HN 0.911 nan 8.150 nan 0.000 0.476 354 N N -0.738 117.936 118.700 -0.043 0.000 2.627 354 N HA 0.055 4.796 4.740 0.001 0.000 0.196 354 N C 0.425 175.969 175.510 0.056 0.000 1.268 354 N CA 0.180 53.246 53.050 0.027 0.000 0.904 354 N CB -0.267 38.232 38.487 0.020 0.000 1.016 354 N HN 0.425 nan 8.380 nan 0.000 0.448 355 M N 0.716 120.354 119.600 0.063 0.000 2.573 355 M HA 0.353 4.834 4.480 0.001 0.000 0.309 355 M C -0.628 175.808 176.300 0.225 0.000 1.202 355 M CA -1.027 54.356 55.300 0.138 0.000 0.975 355 M CB 2.181 34.869 32.600 0.146 0.000 1.600 355 M HN 0.119 nan 8.290 nan 0.000 0.479 356 L N 2.255 123.627 121.223 0.249 0.000 2.329 356 L HA 0.603 4.943 4.340 0.001 0.000 0.279 356 L C -1.578 175.486 176.870 0.324 0.000 1.014 356 L CA -0.980 54.027 54.840 0.279 0.000 0.814 356 L CB 1.504 43.698 42.059 0.225 0.000 1.257 356 L HN 0.593 nan 8.230 nan 0.000 0.424 357 L N 4.759 126.162 121.223 0.300 0.000 2.272 357 L HA 0.475 4.816 4.340 0.001 0.000 0.289 357 L C -0.536 176.464 176.870 0.216 0.000 1.032 357 L CA 0.208 55.131 54.840 0.138 0.000 0.810 357 L CB 1.238 43.302 42.059 0.008 0.000 1.205 357 L HN 0.636 nan 8.230 nan 0.000 0.422 358 E N 4.952 125.255 120.200 0.171 0.000 2.133 358 E HA 0.440 4.791 4.350 0.001 0.000 0.274 358 E C -1.858 174.790 176.600 0.081 0.000 0.930 358 E CA -0.443 56.076 56.400 0.198 0.000 0.770 358 E CB 1.593 31.503 29.700 0.349 0.000 1.104 358 E HN 0.495 nan 8.360 nan 0.000 0.403 359 V N 3.216 123.155 119.914 0.041 0.000 2.447 359 V HA 0.338 4.459 4.120 0.001 0.000 0.292 359 V C 0.682 176.685 176.094 -0.151 0.000 1.021 359 V CA -0.322 61.898 62.300 -0.133 0.000 0.850 359 V CB 1.421 33.070 31.823 -0.290 0.000 1.005 359 V HN 0.894 nan 8.190 nan 0.000 0.426 360 G N 3.541 112.316 108.800 -0.041 0.000 2.421 360 G HA2 0.073 4.033 3.960 0.001 0.000 0.300 360 G HA3 0.073 4.033 3.960 0.001 0.000 0.300 360 G C 1.293 176.284 174.900 0.152 0.000 0.974 360 G CA 1.191 46.367 45.100 0.127 0.000 1.062 360 G HN 2.291 nan 8.290 nan 0.000 0.514 361 G N -1.671 107.185 108.800 0.094 0.000 2.299 361 G HA2 -0.252 3.709 3.960 0.001 0.000 0.237 361 G HA3 -0.252 3.709 3.960 0.001 0.000 0.237 361 G C 0.643 175.550 174.900 0.011 0.000 1.027 361 G CA 0.379 45.522 45.100 0.073 0.000 0.619 361 G HN 1.240 nan 8.290 nan 0.000 0.513 362 L N 0.994 122.197 121.223 -0.032 0.000 2.436 362 L HA 0.579 4.919 4.340 0.001 0.000 0.265 362 L C 0.463 177.268 176.870 -0.108 0.000 1.168 362 L CA -0.061 54.682 54.840 -0.162 0.000 0.815 362 L CB 0.781 42.682 42.059 -0.262 0.000 1.109 362 L HN 0.271 nan 8.230 nan 0.000 0.462 363 E N 1.794 121.839 120.200 -0.259 0.000 2.248 363 E HA 0.440 4.791 4.350 0.001 0.000 0.267 363 E C -1.621 174.792 176.600 -0.312 0.000 0.877 363 E CA -0.488 55.835 56.400 -0.128 0.000 0.759 363 E CB 2.168 31.815 29.700 -0.088 0.000 1.182 363 E HN 0.242 nan 8.360 nan 0.000 0.418 364 F N 3.179 123.143 119.950 0.023 0.000 2.552 364 F HA 0.260 4.787 4.527 0.001 0.000 0.369 364 F C -1.622 174.249 175.800 0.119 0.000 1.112 364 F CA -1.963 56.074 58.000 0.062 0.000 1.129 364 F CB 1.535 40.560 39.000 0.042 0.000 1.360 364 F HN 0.325 nan 8.300 nan 0.000 0.473 365 P HA -0.015 nan 4.420 nan 0.000 0.226 365 P C 0.606 178.075 177.300 0.282 0.000 1.153 365 P CA 0.717 63.949 63.100 0.220 0.000 0.777 365 P CB 0.559 32.353 31.700 0.156 0.000 0.794 366 G N 0.438 109.466 108.800 0.379 0.000 2.671 366 G HA2 0.449 4.409 3.960 0.001 0.000 0.318 366 G HA3 0.449 4.409 3.960 0.001 0.000 0.318 366 G C -0.489 174.665 174.900 0.424 0.000 1.250 366 G CA -0.363 45.028 45.100 0.485 0.000 1.028 366 G HN 0.293 nan 8.290 nan 0.000 0.501 367 C N 1.226 120.701 119.300 0.291 0.000 3.354 367 C HA 0.470 4.930 4.460 0.001 0.000 0.314 367 C C -3.051 172.053 174.990 0.192 0.000 1.019 367 C CA -2.140 56.984 59.018 0.176 0.000 1.293 367 C CB 0.567 28.432 27.740 0.209 0.000 1.747 367 C HN 0.425 nan 8.230 nan 0.000 0.580 368 P HA 0.552 nan 4.420 nan 0.000 0.280 368 P C -0.536 176.817 177.300 0.088 0.000 1.244 368 P CA 0.334 63.410 63.100 -0.040 0.000 0.784 368 P CB 0.326 32.011 31.700 -0.026 0.000 0.913 369 F N 0.414 120.297 119.950 -0.112 0.000 2.599 369 F HA 0.707 5.234 4.527 0.001 0.000 0.311 369 F C -0.677 174.992 175.800 -0.218 0.000 1.076 369 F CA -1.031 56.878 58.000 -0.152 0.000 0.937 369 F CB 1.749 40.510 39.000 -0.398 0.000 1.282 369 F HN 0.236 nan 8.300 nan 0.000 0.460 370 N N 0.276 118.975 118.700 -0.002 0.000 2.525 370 N HA 0.789 5.530 4.740 0.001 0.000 0.270 370 N C -1.240 174.169 175.510 -0.168 0.000 1.321 370 N CA -0.457 52.519 53.050 -0.123 0.000 0.797 370 N CB 2.124 40.572 38.487 -0.064 0.000 1.529 370 N HN 1.080 nan 8.380 nan 0.000 0.491 371 G N -0.909 107.759 108.800 -0.220 0.000 3.085 371 G HA2 0.646 4.607 3.960 0.001 0.000 0.264 371 G HA3 0.646 4.607 3.960 0.001 0.000 0.264 371 G C -1.881 172.952 174.900 -0.112 0.000 1.206 371 G CA -0.810 44.105 45.100 -0.308 0.000 0.809 371 G HN 0.698 nan 8.290 nan 0.000 0.592 372 W N -1.411 119.867 121.300 -0.037 0.000 2.736 372 W HA 0.827 5.488 4.660 0.001 0.000 0.355 372 W C -1.206 175.282 176.519 -0.053 0.000 1.102 372 W CA -2.110 55.227 57.345 -0.013 0.000 1.164 372 W CB 0.376 29.870 29.460 0.057 0.000 1.422 372 W HN 0.427 nan 8.180 nan 0.000 0.572 373 Y N 2.171 122.638 120.300 0.279 0.000 2.357 373 Y HA 0.247 4.797 4.550 0.001 0.000 0.340 373 Y C 0.669 176.603 175.900 0.057 0.000 1.260 373 Y CA -0.530 57.611 58.100 0.068 0.000 1.425 373 Y CB 0.983 39.393 38.460 -0.083 0.000 1.326 373 Y HN 0.451 nan 8.280 nan 0.000 0.580 374 M N 1.889 121.621 119.600 0.221 0.000 2.190 374 M HA 0.378 4.859 4.480 0.001 0.000 0.312 374 M C 0.999 177.266 176.300 -0.056 0.000 0.990 374 M CA -0.209 55.141 55.300 0.084 0.000 0.927 374 M CB 1.444 34.082 32.600 0.064 0.000 1.571 374 M HN 0.817 nan 8.290 nan 0.000 0.427 375 G N 2.115 110.848 108.800 -0.111 0.000 2.783 375 G HA2 -0.413 3.547 3.960 0.001 0.000 0.225 375 G HA3 -0.413 3.547 3.960 0.001 0.000 0.225 375 G C 1.147 175.903 174.900 -0.239 0.000 1.191 375 G CA 2.375 47.359 45.100 -0.192 0.000 0.774 375 G HN 0.915 nan 8.290 nan 0.000 0.632 376 T N -0.790 113.649 114.554 -0.193 0.000 2.737 376 T HA -0.157 4.194 4.350 0.001 0.000 0.269 376 T C 1.967 176.495 174.700 -0.288 0.000 1.040 376 T CA 1.961 63.896 62.100 -0.275 0.000 1.142 376 T CB -0.501 68.155 68.868 -0.354 0.000 0.861 376 T HN 0.599 nan 8.240 nan 0.000 0.456 377 E N 0.884 120.939 120.200 -0.243 0.000 2.070 377 E HA -0.112 4.238 4.350 0.001 0.000 0.197 377 E C 2.207 178.527 176.600 -0.467 0.000 1.004 377 E CA 1.757 58.019 56.400 -0.231 0.000 0.805 377 E CB -0.344 29.355 29.700 -0.001 0.000 0.744 377 E HN 0.622 nan 8.360 nan 0.000 0.451 378 I N 0.138 120.276 120.570 -0.720 0.000 2.270 378 I HA -0.065 4.105 4.170 0.001 0.000 0.239 378 I C 2.625 178.128 176.117 -1.024 0.000 1.080 378 I CA 0.825 61.397 61.300 -1.212 0.000 1.383 378 I CB -0.678 36.476 38.000 -1.410 0.000 1.097 378 I HN 0.120 nan 8.210 nan 0.000 0.420 379 G N 1.057 109.494 108.800 -0.605 0.000 2.480 379 G HA2 -0.193 3.768 3.960 0.001 0.000 0.216 379 G HA3 -0.193 3.768 3.960 0.001 0.000 0.216 379 G C 1.650 176.466 174.900 -0.140 0.000 1.200 379 G CA 1.357 46.302 45.100 -0.259 0.000 0.782 379 G HN 0.217 nan 8.290 nan 0.000 0.554 380 V N 0.537 120.333 119.914 -0.197 0.000 2.331 380 V HA -0.011 4.110 4.120 0.001 0.000 0.242 380 V C 2.934 178.949 176.094 -0.131 0.000 1.034 380 V CA 1.497 63.712 62.300 -0.142 0.000 1.027 380 V CB -0.407 31.302 31.823 -0.190 0.000 0.667 380 V HN 0.162 nan 8.190 nan 0.000 0.457 381 R N 0.547 120.927 120.500 -0.199 0.000 2.052 381 R HA -0.036 4.305 4.340 0.001 0.000 0.224 381 R C 2.032 178.256 176.300 -0.128 0.000 1.165 381 R CA 1.479 57.484 56.100 -0.157 0.000 0.939 381 R CB -1.292 28.901 30.300 -0.177 0.000 0.834 381 R HN 0.455 nan 8.270 nan 0.000 0.435 382 D N 0.422 120.640 120.400 -0.304 0.000 2.133 382 D HA -0.148 4.493 4.640 0.001 0.000 0.195 382 D C 1.825 178.168 176.300 0.072 0.000 0.997 382 D CA 1.205 55.011 54.000 -0.324 0.000 0.840 382 D CB -0.126 39.950 40.800 -1.206 0.000 0.947 382 D HN 0.103 nan 8.370 nan 0.000 0.452 383 F N 0.005 119.880 119.950 -0.125 0.000 2.374 383 F HA 0.060 4.587 4.527 0.001 0.000 0.291 383 F C 2.405 178.250 175.800 0.075 0.000 1.084 383 F CA -0.330 57.682 58.000 0.020 0.000 1.413 383 F CB -0.711 38.280 39.000 -0.016 0.000 1.099 383 F HN 0.033 nan 8.300 nan 0.000 0.534 384 C N -1.137 118.289 119.300 0.209 0.000 2.611 384 C HA 0.133 4.593 4.460 0.001 0.000 0.282 384 C C 0.452 175.492 174.990 0.083 0.000 1.321 384 C CA -0.595 58.499 59.018 0.126 0.000 1.747 384 C CB -0.630 27.150 27.740 0.066 0.000 2.124 384 C HN 0.108 nan 8.230 nan 0.000 0.531 385 D N 1.232 121.672 120.400 0.066 0.000 2.533 385 D HA 0.054 4.695 4.640 0.001 0.000 0.236 385 D C 1.146 177.487 176.300 0.068 0.000 1.137 385 D CA 0.333 54.360 54.000 0.045 0.000 0.867 385 D CB 0.863 41.686 40.800 0.037 0.000 1.170 385 D HN -0.002 nan 8.370 nan 0.000 0.474 386 V N 3.010 122.953 119.914 0.049 0.000 2.407 386 V HA -0.257 3.864 4.120 0.001 0.000 0.248 386 V C 2.326 178.449 176.094 0.048 0.000 1.055 386 V CA 1.684 64.015 62.300 0.052 0.000 1.049 386 V CB -0.591 31.256 31.823 0.041 0.000 0.662 386 V HN 0.672 nan 8.190 nan 0.000 0.455 387 Q N -0.207 119.619 119.800 0.044 0.000 2.482 387 Q HA -0.049 4.292 4.340 0.001 0.000 0.209 387 Q C 1.260 177.287 176.000 0.044 0.000 0.961 387 Q CA 0.712 56.539 55.803 0.041 0.000 0.945 387 Q CB 0.087 28.851 28.738 0.043 0.000 1.012 387 Q HN 0.468 nan 8.270 nan 0.000 0.515 388 R N -0.230 120.309 120.500 0.066 0.000 2.893 388 R HA 0.245 4.586 4.340 0.001 0.000 0.159 388 R C 1.595 177.922 176.300 0.045 0.000 1.366 388 R CA -0.473 55.682 56.100 0.092 0.000 0.929 388 R CB -1.161 29.260 30.300 0.201 0.000 1.796 388 R HN 0.060 nan 8.270 nan 0.000 0.464 389 Y N 1.478 121.909 120.300 0.219 0.000 2.421 389 Y HA -0.038 4.513 4.550 0.001 0.000 0.292 389 Y C 0.557 176.538 175.900 0.135 0.000 1.136 389 Y CA 1.104 59.330 58.100 0.210 0.000 1.255 389 Y CB -0.304 38.355 38.460 0.331 0.000 0.991 389 Y HN 0.541 nan 8.280 nan 0.000 0.552 390 N N 1.124 119.967 118.700 0.238 0.000 2.620 390 N HA -0.220 4.520 4.740 0.001 0.000 0.293 390 N C 0.386 175.981 175.510 0.141 0.000 1.178 390 N CA 0.379 53.523 53.050 0.157 0.000 0.750 390 N CB -0.720 37.828 38.487 0.102 0.000 0.949 390 N HN 0.631 nan 8.380 nan 0.000 0.555 391 I N -0.796 119.860 120.570 0.143 0.000 4.082 391 I HA 0.088 4.258 4.170 0.001 0.000 0.337 391 I C 1.632 177.817 176.117 0.114 0.000 1.352 391 I CA -0.538 60.819 61.300 0.095 0.000 1.097 391 I CB 0.033 38.050 38.000 0.028 0.000 1.048 391 I HN 0.268 nan 8.210 nan 0.000 0.393 392 L N 2.300 123.612 121.223 0.147 0.000 1.997 392 L HA -0.256 4.085 4.340 0.001 0.000 0.216 392 L C 2.551 179.599 176.870 0.297 0.000 1.074 392 L CA 2.546 57.502 54.840 0.194 0.000 0.763 392 L CB -0.677 41.457 42.059 0.125 0.000 0.890 392 L HN 0.492 nan 8.230 nan 0.000 0.434 393 E N -0.285 120.068 120.200 0.254 0.000 2.033 393 E HA -0.317 4.033 4.350 0.001 0.000 0.199 393 E C 2.086 178.706 176.600 0.034 0.000 1.011 393 E CA 1.876 58.385 56.400 0.182 0.000 0.815 393 E CB -0.356 29.401 29.700 0.095 0.000 0.755 393 E HN 0.552 nan 8.360 nan 0.000 0.451 394 E N -0.207 120.004 120.200 0.018 0.000 2.033 394 E HA -0.200 4.151 4.350 0.001 0.000 0.199 394 E C 2.163 178.709 176.600 -0.090 0.000 1.011 394 E CA 2.361 58.728 56.400 -0.055 0.000 0.815 394 E CB -0.569 29.105 29.700 -0.044 0.000 0.755 394 E HN 0.285 nan 8.360 nan 0.000 0.451 395 V N -0.847 119.073 119.914 0.011 0.000 2.759 395 V HA -0.009 4.111 4.120 0.001 0.000 0.256 395 V C 2.045 178.171 176.094 0.053 0.000 1.080 395 V CA 2.091 64.430 62.300 0.066 0.000 1.101 395 V CB -1.053 30.939 31.823 0.282 0.000 0.698 395 V HN 0.323 nan 8.190 nan 0.000 0.477 396 G N 0.648 109.507 108.800 0.098 0.000 2.402 396 G HA2 -0.176 3.784 3.960 0.001 0.000 0.216 396 G HA3 -0.176 3.784 3.960 0.001 0.000 0.216 396 G C 1.743 176.525 174.900 -0.196 0.000 1.162 396 G CA 0.825 45.966 45.100 0.069 0.000 0.777 396 G HN 0.546 nan 8.290 nan 0.000 0.539 397 R N -0.021 120.312 120.500 -0.279 0.000 2.073 397 R HA 0.027 4.368 4.340 0.001 0.000 0.234 397 R C 2.694 178.764 176.300 -0.384 0.000 1.134 397 R CA 0.825 56.731 56.100 -0.323 0.000 0.952 397 R CB -0.357 29.772 30.300 -0.285 0.000 0.850 397 R HN 0.149 nan 8.270 nan 0.000 0.433 398 R N 0.762 120.948 120.500 -0.523 0.000 2.105 398 R HA -0.070 4.271 4.340 0.001 0.000 0.239 398 R C 2.055 177.812 176.300 -0.904 0.000 1.135 398 R CA 1.357 56.869 56.100 -0.980 0.000 0.967 398 R CB -0.358 28.926 30.300 -1.694 0.000 0.861 398 R HN 0.345 nan 8.270 nan 0.000 0.442 399 M N -0.465 118.859 119.600 -0.461 0.000 2.595 399 M HA 0.091 4.572 4.480 0.001 0.000 0.248 399 M C 0.643 176.833 176.300 -0.183 0.000 1.119 399 M CA 0.726 55.901 55.300 -0.208 0.000 1.079 399 M CB 0.265 32.894 32.600 0.047 0.000 1.472 399 M HN 0.340 nan 8.290 nan 0.000 0.501 400 G N 2.273 110.933 108.800 -0.232 0.000 2.272 400 G HA2 -0.234 3.727 3.960 0.001 0.000 0.280 400 G HA3 -0.234 3.727 3.960 0.001 0.000 0.280 400 G C -0.259 174.566 174.900 -0.124 0.000 1.067 400 G CA -0.106 44.886 45.100 -0.181 0.000 0.902 400 G HN 0.398 nan 8.290 nan 0.000 0.500 401 L N -0.989 120.154 121.223 -0.133 0.000 2.387 401 L HA 0.462 4.802 4.340 0.001 0.000 0.266 401 L C 1.018 177.762 176.870 -0.211 0.000 1.059 401 L CA -0.983 53.806 54.840 -0.085 0.000 0.801 401 L CB 0.826 42.912 42.059 0.046 0.000 1.223 401 L HN 0.155 nan 8.230 nan 0.000 0.456 402 E N 0.539 120.653 120.200 -0.142 0.000 1.858 402 E HA -0.027 4.323 4.350 0.001 0.000 0.278 402 E C 0.675 176.952 176.600 -0.539 0.000 1.172 402 E CA -0.027 56.256 56.400 -0.196 0.000 1.127 402 E CB -0.028 29.654 29.700 -0.029 0.000 1.084 402 E HN 0.632 nan 8.360 nan 0.000 0.455 403 T N -2.072 111.901 114.554 -0.968 0.000 3.219 403 T HA -0.132 4.219 4.350 0.001 0.000 0.264 403 T C 0.878 174.883 174.700 -1.159 0.000 1.178 403 T CA 1.002 62.012 62.100 -1.817 0.000 1.057 403 T CB -0.202 67.705 68.868 -1.602 0.000 0.919 403 T HN 0.454 nan 8.240 nan 0.000 0.545 404 H N -0.574 118.294 119.070 -0.336 0.000 2.788 404 H HA 0.396 4.952 4.556 0.001 0.000 0.262 404 H C 0.831 176.183 175.328 0.041 0.000 0.968 404 H CA -0.209 55.784 56.048 -0.091 0.000 1.218 404 H CB 0.576 30.283 29.762 -0.091 0.000 1.443 404 H HN 0.227 nan 8.280 nan 0.000 0.478 405 K N 2.138 122.624 120.400 0.145 0.000 2.263 405 K HA 0.107 4.428 4.320 0.001 0.000 0.282 405 K C 0.475 177.244 176.600 0.281 0.000 1.089 405 K CA -0.126 56.265 56.287 0.172 0.000 0.907 405 K CB 0.470 33.042 32.500 0.120 0.000 1.148 405 K HN 0.246 nan 8.250 nan 0.000 0.470 406 L N 3.135 124.511 121.223 0.255 0.000 2.042 406 L HA -0.191 4.149 4.340 0.001 0.000 0.210 406 L C 2.123 179.073 176.870 0.134 0.000 1.076 406 L CA 1.528 56.499 54.840 0.219 0.000 0.749 406 L CB -0.323 41.810 42.059 0.124 0.000 0.893 406 L HN 0.788 nan 8.230 nan 0.000 0.432 407 A N -0.404 122.483 122.820 0.111 0.000 2.225 407 A HA -0.160 4.160 4.320 0.001 0.000 0.215 407 A C 2.336 179.975 177.584 0.091 0.000 1.164 407 A CA 1.469 53.552 52.037 0.077 0.000 0.710 407 A CB -0.523 18.515 19.000 0.063 0.000 0.780 407 A HN 0.564 nan 8.150 nan 0.000 0.473 408 S N -0.733 115.056 115.700 0.149 0.000 2.522 408 S HA 0.133 4.604 4.470 0.001 0.000 0.227 408 S C 0.895 175.583 174.600 0.146 0.000 0.986 408 S CA 0.591 58.886 58.200 0.159 0.000 0.929 408 S CB -0.668 62.661 63.200 0.216 0.000 0.769 408 S HN 0.834 nan 8.310 nan 0.000 0.529 409 L N 0.600 121.879 121.223 0.092 0.000 4.040 409 L HA -0.180 4.160 4.340 0.001 0.000 0.410 409 L C 1.675 178.549 176.870 0.007 0.000 1.187 409 L CA 0.775 55.609 54.840 -0.009 0.000 0.956 409 L CB -2.571 39.493 42.059 0.009 0.000 2.022 409 L HN 0.753 nan 8.230 nan 0.000 0.897 410 W N 0.302 121.612 121.300 0.016 0.000 2.358 410 W HA -0.180 4.481 4.660 0.001 0.000 0.303 410 W C 1.751 178.285 176.519 0.025 0.000 1.208 410 W CA 1.395 58.749 57.345 0.016 0.000 1.274 410 W CB -0.739 28.715 29.460 -0.009 0.000 1.138 410 W HN 0.230 nan 8.180 nan 0.000 0.515 411 K N 1.034 120.786 120.400 -1.079 0.000 2.103 411 K HA -0.200 4.121 4.320 0.001 0.000 0.207 411 K C 1.528 177.910 176.600 -0.363 0.000 1.048 411 K CA 2.566 58.227 56.287 -1.044 0.000 0.930 411 K CB -0.290 31.548 32.500 -1.103 0.000 0.716 411 K HN 0.142 nan 8.250 nan 0.000 0.444 412 D N 0.045 120.304 120.400 -0.234 0.000 2.103 412 D HA -0.129 4.511 4.640 0.001 0.000 0.199 412 D C 1.914 178.212 176.300 -0.003 0.000 0.978 412 D CA 0.937 54.879 54.000 -0.097 0.000 0.829 412 D CB 0.026 40.784 40.800 -0.071 0.000 0.981 412 D HN 0.164 nan 8.370 nan 0.000 0.464 413 Q N 0.301 120.130 119.800 0.048 0.000 2.135 413 Q HA -0.138 4.203 4.340 0.001 0.000 0.204 413 Q C 2.232 178.328 176.000 0.160 0.000 0.981 413 Q CA 1.335 57.208 55.803 0.116 0.000 0.856 413 Q CB -0.162 28.669 28.738 0.154 0.000 0.902 413 Q HN 0.296 nan 8.270 nan 0.000 0.425 414 A N 0.223 123.145 122.820 0.171 0.000 1.858 414 A HA -0.165 4.156 4.320 0.001 0.000 0.216 414 A C 2.250 179.946 177.584 0.187 0.000 1.190 414 A CA 1.524 53.698 52.037 0.229 0.000 0.617 414 A CB -1.031 18.125 19.000 0.259 0.000 0.827 414 A HN 0.299 nan 8.150 nan 0.000 0.443 415 V N -0.136 119.834 119.914 0.093 0.000 2.407 415 V HA -0.203 3.918 4.120 0.001 0.000 0.248 415 V C 2.454 178.601 176.094 0.088 0.000 1.055 415 V CA 2.349 64.693 62.300 0.073 0.000 1.049 415 V CB -0.398 31.420 31.823 -0.007 0.000 0.662 415 V HN 0.339 nan 8.190 nan 0.000 0.455 416 V N -0.211 119.755 119.914 0.087 0.000 2.295 416 V HA -0.233 3.887 4.120 0.001 0.000 0.246 416 V C 2.545 178.712 176.094 0.122 0.000 1.049 416 V CA 2.374 64.729 62.300 0.093 0.000 1.024 416 V CB -0.786 31.091 31.823 0.090 0.000 0.648 416 V HN 0.560 nan 8.190 nan 0.000 0.447 417 E N 0.123 120.429 120.200 0.177 0.000 2.077 417 E HA -0.158 4.192 4.350 0.001 0.000 0.193 417 E C 1.991 178.738 176.600 0.245 0.000 0.989 417 E CA 1.324 57.863 56.400 0.232 0.000 0.800 417 E CB -0.345 29.534 29.700 0.297 0.000 0.746 417 E HN 0.595 nan 8.360 nan 0.000 0.452 418 I N 0.800 121.539 120.570 0.281 0.000 2.226 418 I HA -0.275 3.895 4.170 0.001 0.000 0.245 418 I C 1.941 178.154 176.117 0.160 0.000 1.100 418 I CA 0.934 62.427 61.300 0.321 0.000 1.374 418 I CB -0.341 37.875 38.000 0.360 0.000 1.057 418 I HN 0.154 nan 8.210 nan 0.000 0.413 419 N N 0.877 119.635 118.700 0.098 0.000 2.331 419 N HA -0.052 4.689 4.740 0.001 0.000 0.180 419 N C 1.954 177.459 175.510 -0.008 0.000 1.019 419 N CA 1.135 54.200 53.050 0.025 0.000 0.881 419 N CB 0.114 38.608 38.487 0.012 0.000 0.972 419 N HN 0.384 nan 8.380 nan 0.000 0.435 420 I N 1.170 121.729 120.570 -0.019 0.000 2.252 420 I HA -0.188 3.983 4.170 0.001 0.000 0.245 420 I C 2.437 178.440 176.117 -0.189 0.000 1.102 420 I CA 0.535 61.772 61.300 -0.106 0.000 1.385 420 I CB -0.253 37.652 38.000 -0.159 0.000 1.064 420 I HN 0.028 nan 8.210 nan 0.000 0.414 421 A N 0.640 123.316 122.820 -0.241 0.000 1.883 421 A HA -0.178 4.143 4.320 0.001 0.000 0.217 421 A C 2.430 179.931 177.584 -0.139 0.000 1.186 421 A CA 1.929 53.747 52.037 -0.365 0.000 0.624 421 A CB -1.010 17.515 19.000 -0.791 0.000 0.822 421 A HN 0.236 nan 8.150 nan 0.000 0.444 422 V N 0.164 120.048 119.914 -0.050 0.000 2.255 422 V HA -0.289 3.832 4.120 0.001 0.000 0.247 422 V C 2.601 178.710 176.094 0.026 0.000 1.051 422 V CA 2.089 64.400 62.300 0.018 0.000 1.018 422 V CB -0.873 30.899 31.823 -0.085 0.000 0.641 422 V HN 0.578 nan 8.190 nan 0.000 0.445 423 L N -0.497 120.701 121.223 -0.042 0.000 1.989 423 L HA -0.261 4.080 4.340 0.001 0.000 0.211 423 L C 2.666 179.558 176.870 0.037 0.000 1.071 423 L CA 2.399 57.222 54.840 -0.029 0.000 0.749 423 L CB -0.987 41.051 42.059 -0.035 0.000 0.890 423 L HN 0.494 nan 8.230 nan 0.000 0.431 424 H N 0.019 119.035 119.070 -0.090 0.000 2.319 424 H HA -0.184 4.372 4.556 0.001 0.000 0.297 424 H C 2.337 177.636 175.328 -0.048 0.000 1.097 424 H CA 2.088 58.069 56.048 -0.110 0.000 1.285 424 H CB -0.144 29.480 29.762 -0.230 0.000 1.368 424 H HN 0.167 nan 8.280 nan 0.000 0.495 425 S N -0.513 115.065 115.700 -0.203 0.000 2.370 425 S HA -0.123 4.347 4.470 0.001 0.000 0.226 425 S C 1.929 176.457 174.600 -0.120 0.000 1.033 425 S CA 1.287 59.360 58.200 -0.211 0.000 1.011 425 S CB -0.450 62.732 63.200 -0.031 0.000 0.852 425 S HN 0.342 nan 8.310 nan 0.000 0.457 426 F N 1.950 121.806 119.950 -0.156 0.000 2.128 426 F HA -0.061 4.466 4.527 0.001 0.000 0.295 426 F C 2.642 178.366 175.800 -0.125 0.000 1.100 426 F CA 1.002 58.938 58.000 -0.107 0.000 1.260 426 F CB -0.699 38.260 39.000 -0.068 0.000 1.009 426 F HN 0.196 nan 8.300 nan 0.000 0.476 427 Q N 0.001 119.832 119.800 0.050 0.000 2.061 427 Q HA -0.255 4.086 4.340 0.001 0.000 0.204 427 Q C 2.228 178.172 176.000 -0.094 0.000 0.984 427 Q CA 1.725 57.513 55.803 -0.025 0.000 0.846 427 Q CB -0.366 28.358 28.738 -0.024 0.000 0.902 427 Q HN 0.329 nan 8.270 nan 0.000 0.421 428 K N 0.709 120.988 120.400 -0.202 0.000 2.147 428 K HA -0.158 4.163 4.320 0.001 0.000 0.205 428 K C 1.415 177.921 176.600 -0.156 0.000 1.049 428 K CA 1.115 57.272 56.287 -0.216 0.000 0.936 428 K CB 0.178 32.439 32.500 -0.398 0.000 0.722 428 K HN 0.238 nan 8.250 nan 0.000 0.446 429 Q N 0.318 120.019 119.800 -0.165 0.000 2.246 429 Q HA 0.086 4.427 4.340 0.001 0.000 0.202 429 Q C -0.695 175.233 176.000 -0.119 0.000 0.883 429 Q CA -0.221 55.492 55.803 -0.149 0.000 0.952 429 Q CB 0.507 29.125 28.738 -0.200 0.000 1.078 429 Q HN 0.290 nan 8.270 nan 0.000 0.493 430 N N -0.132 118.515 118.700 -0.089 0.000 2.727 430 N HA -0.147 4.594 4.740 0.001 0.000 0.249 430 N C -1.106 174.371 175.510 -0.056 0.000 1.048 430 N CA 0.605 53.617 53.050 -0.064 0.000 0.714 430 N CB -1.586 36.865 38.487 -0.060 0.000 0.959 430 N HN 0.031 nan 8.380 nan 0.000 0.544 431 V N 0.652 120.542 119.914 -0.039 0.000 2.459 431 V HA 0.273 4.394 4.120 0.001 0.000 0.295 431 V C 0.872 177.055 176.094 0.149 0.000 1.029 431 V CA -0.645 61.664 62.300 0.015 0.000 0.874 431 V CB 2.086 33.834 31.823 -0.126 0.000 0.985 431 V HN 0.167 nan 8.190 nan 0.000 0.438 432 T N 6.091 120.690 114.554 0.075 0.000 2.867 432 T HA 0.389 4.739 4.350 0.001 0.000 0.297 432 T C -0.306 174.430 174.700 0.060 0.000 0.989 432 T CA 0.788 62.853 62.100 -0.059 0.000 1.159 432 T CB -0.034 68.679 68.868 -0.258 0.000 0.928 432 T HN 0.476 nan 8.240 nan 0.000 0.538 433 I N 2.814 123.343 120.570 -0.068 0.000 3.004 433 I HA 0.661 4.832 4.170 0.001 0.000 0.305 433 I C -1.423 174.644 176.117 -0.083 0.000 1.312 433 I CA -1.100 60.142 61.300 -0.096 0.000 0.992 433 I CB 2.288 40.121 38.000 -0.279 0.000 1.282 433 I HN 0.709 nan 8.210 nan 0.000 0.449 434 M N 6.257 125.870 119.600 0.023 0.000 2.213 434 M HA 0.394 4.875 4.480 0.001 0.000 0.286 434 M C -1.742 174.595 176.300 0.061 0.000 1.008 434 M CA -0.641 54.707 55.300 0.080 0.000 0.937 434 M CB 1.306 34.070 32.600 0.273 0.000 1.600 434 M HN 0.685 nan 8.290 nan 0.000 0.450 435 D N 4.315 124.734 120.400 0.033 0.000 2.372 435 D HA -0.014 4.627 4.640 0.001 0.000 0.243 435 D C 0.929 177.242 176.300 0.022 0.000 1.121 435 D CA -0.014 54.008 54.000 0.036 0.000 0.898 435 D CB 0.552 41.354 40.800 0.003 0.000 1.202 435 D HN 0.839 nan 8.370 nan 0.000 0.428 436 H N 1.429 120.457 119.070 -0.070 0.000 2.457 436 H HA -0.182 4.374 4.556 0.001 0.000 0.297 436 H C 1.109 176.344 175.328 -0.156 0.000 1.092 436 H CA 1.255 57.217 56.048 -0.142 0.000 1.309 436 H CB -0.592 29.026 29.762 -0.240 0.000 1.382 436 H HN 0.559 nan 8.280 nan 0.000 0.535 437 H N 1.029 119.848 119.070 -0.419 0.000 2.326 437 H HA -0.002 4.555 4.556 0.001 0.000 0.301 437 H C 2.355 177.644 175.328 -0.065 0.000 1.081 437 H CA 1.466 57.374 56.048 -0.233 0.000 1.334 437 H CB 0.115 29.712 29.762 -0.274 0.000 1.385 437 H HN 0.367 nan 8.280 nan 0.000 0.504 438 S N 0.776 116.520 115.700 0.072 0.000 2.382 438 S HA -0.097 4.374 4.470 0.001 0.000 0.228 438 S C 2.461 177.125 174.600 0.106 0.000 1.027 438 S CA 0.791 59.039 58.200 0.082 0.000 0.991 438 S CB -0.226 63.013 63.200 0.066 0.000 0.823 438 S HN 0.502 nan 8.310 nan 0.000 0.469 439 A N 1.903 124.783 122.820 0.100 0.000 1.858 439 A HA 0.055 4.375 4.320 0.001 0.000 0.216 439 A C 2.406 180.075 177.584 0.143 0.000 1.190 439 A CA 1.803 53.916 52.037 0.127 0.000 0.617 439 A CB -1.262 17.797 19.000 0.100 0.000 0.827 439 A HN 0.521 nan 8.150 nan 0.000 0.443 440 A N -0.400 122.482 122.820 0.102 0.000 1.908 440 A HA -0.204 4.117 4.320 0.001 0.000 0.218 440 A C 1.950 179.659 177.584 0.208 0.000 1.181 440 A CA 1.761 53.877 52.037 0.132 0.000 0.627 440 A CB -0.604 18.441 19.000 0.075 0.000 0.818 440 A HN 0.647 nan 8.150 nan 0.000 0.445 441 E N -0.110 120.190 120.200 0.166 0.000 2.077 441 E HA -0.169 4.181 4.350 0.001 0.000 0.193 441 E C 2.403 179.107 176.600 0.173 0.000 0.989 441 E CA 1.422 57.919 56.400 0.161 0.000 0.800 441 E CB -0.191 29.582 29.700 0.121 0.000 0.746 441 E HN 0.782 nan 8.360 nan 0.000 0.452 442 S N 0.500 116.305 115.700 0.175 0.000 2.382 442 S HA -0.195 4.275 4.470 0.001 0.000 0.228 442 S C 1.912 176.634 174.600 0.204 0.000 1.027 442 S CA 0.770 59.071 58.200 0.169 0.000 0.991 442 S CB -0.436 62.863 63.200 0.164 0.000 0.823 442 S HN 0.314 nan 8.310 nan 0.000 0.469 443 F N 2.131 122.148 119.950 0.112 0.000 2.102 443 F HA 0.008 4.536 4.527 0.001 0.000 0.298 443 F C 2.342 178.270 175.800 0.214 0.000 1.105 443 F CA 1.620 59.706 58.000 0.144 0.000 1.239 443 F CB -0.312 38.740 39.000 0.087 0.000 0.991 443 F HN 0.122 nan 8.300 nan 0.000 0.474 444 M N 0.225 120.000 119.600 0.291 0.000 2.106 444 M HA -0.226 4.254 4.480 0.001 0.000 0.259 444 M C 2.158 178.524 176.300 0.109 0.000 1.068 444 M CA 1.637 57.064 55.300 0.210 0.000 1.100 444 M CB -1.374 31.364 32.600 0.231 0.000 1.351 444 M HN 0.077 nan 8.290 nan 0.000 0.404 445 K N 0.115 120.580 120.400 0.108 0.000 2.002 445 K HA -0.201 4.119 4.320 0.001 0.000 0.209 445 K C 2.040 178.665 176.600 0.041 0.000 1.048 445 K CA 1.569 57.906 56.287 0.084 0.000 0.930 445 K CB -0.999 31.556 32.500 0.092 0.000 0.714 445 K HN 0.326 nan 8.250 nan 0.000 0.438 446 Y N 0.451 120.675 120.300 -0.127 0.000 2.114 446 Y HA -0.273 4.278 4.550 0.001 0.000 0.282 446 Y C 2.214 177.949 175.900 -0.274 0.000 1.165 446 Y CA 2.524 60.503 58.100 -0.201 0.000 1.148 446 Y CB -0.349 37.929 38.460 -0.302 0.000 0.972 446 Y HN 0.175 nan 8.280 nan 0.000 0.504 447 M N 0.186 119.504 119.600 -0.470 0.000 2.080 447 M HA -0.299 4.181 4.480 0.001 0.000 0.260 447 M C 2.530 178.680 176.300 -0.250 0.000 1.068 447 M CA 2.330 57.327 55.300 -0.504 0.000 1.109 447 M CB -0.351 32.062 32.600 -0.312 0.000 1.342 447 M HN 0.545 nan 8.290 nan 0.000 0.405 448 Q N 0.128 119.919 119.800 -0.015 0.000 2.096 448 Q HA -0.230 4.110 4.340 0.001 0.000 0.204 448 Q C 1.447 177.511 176.000 0.107 0.000 0.982 448 Q CA 1.992 57.939 55.803 0.239 0.000 0.850 448 Q CB -0.084 28.799 28.738 0.243 0.000 0.901 448 Q HN 0.588 nan 8.270 nan 0.000 0.422 449 N N 0.603 119.271 118.700 -0.053 0.000 2.166 449 N HA -0.153 4.588 4.740 0.001 0.000 0.186 449 N C 1.534 176.940 175.510 -0.174 0.000 1.019 449 N CA 1.155 54.155 53.050 -0.083 0.000 0.856 449 N CB -0.281 38.153 38.487 -0.089 0.000 0.993 449 N HN 0.300 nan 8.380 nan 0.000 0.426 450 E N 0.213 120.176 120.200 -0.395 0.000 2.118 450 E HA -0.141 4.210 4.350 0.001 0.000 0.195 450 E C 1.551 177.900 176.600 -0.418 0.000 0.992 450 E CA 0.871 56.954 56.400 -0.528 0.000 0.804 450 E CB -0.384 28.814 29.700 -0.838 0.000 0.741 450 E HN 0.543 nan 8.360 nan 0.000 0.458 451 Y N 0.579 120.751 120.300 -0.214 0.000 2.571 451 Y HA -0.035 4.516 4.550 0.001 0.000 0.294 451 Y C 2.332 178.233 175.900 0.000 0.000 1.141 451 Y CA 0.726 58.781 58.100 -0.076 0.000 1.308 451 Y CB 0.135 38.607 38.460 0.021 0.000 1.002 451 Y HN -0.009 nan 8.280 nan 0.000 0.551 452 R N -1.492 119.052 120.500 0.072 0.000 2.087 452 R HA 0.008 4.349 4.340 0.001 0.000 0.216 452 R C 2.276 178.574 176.300 -0.003 0.000 1.114 452 R CA 1.077 57.210 56.100 0.055 0.000 1.002 452 R CB -0.413 29.915 30.300 0.046 0.000 0.903 452 R HN 0.099 nan 8.270 nan 0.000 0.445 453 S N 1.659 117.328 115.700 -0.052 0.000 2.343 453 S HA -0.149 4.322 4.470 0.001 0.000 0.219 453 S C 1.647 176.195 174.600 -0.087 0.000 1.033 453 S CA 1.687 59.846 58.200 -0.068 0.000 1.014 453 S CB -0.103 63.040 63.200 -0.095 0.000 0.915 453 S HN 0.431 nan 8.310 nan 0.000 0.435 454 R N 0.178 120.590 120.500 -0.147 0.000 2.590 454 R HA 0.438 4.779 4.340 0.001 0.000 0.410 454 R C 0.724 176.929 176.300 -0.158 0.000 1.010 454 R CA 0.283 56.296 56.100 -0.144 0.000 1.155 454 R CB -0.313 29.885 30.300 -0.171 0.000 1.455 454 R HN 0.272 nan 8.270 nan 0.000 0.567 455 G N 0.373 109.089 108.800 -0.139 0.000 2.390 455 G HA2 -0.137 3.823 3.960 0.001 0.000 0.299 455 G HA3 -0.137 3.823 3.960 0.001 0.000 0.299 455 G C 0.193 174.951 174.900 -0.235 0.000 1.002 455 G CA 0.422 45.484 45.100 -0.064 0.000 0.979 455 G HN 0.879 nan 8.290 nan 0.000 0.513 456 G N -2.574 105.778 108.800 -0.747 0.000 2.411 456 G HA2 0.591 4.551 3.960 0.001 0.000 0.295 456 G HA3 0.591 4.551 3.960 0.001 0.000 0.295 456 G C -0.995 173.370 174.900 -0.891 0.000 1.542 456 G CA 0.275 44.907 45.100 -0.780 0.000 0.814 456 G HN 1.713 nan 8.290 nan 0.000 0.557 457 C N 2.678 121.629 119.300 -0.581 0.000 3.080 457 C HA 0.581 5.042 4.460 0.001 0.000 0.388 457 C C -2.609 172.221 174.990 -0.267 0.000 1.079 457 C CA -1.119 57.652 59.018 -0.411 0.000 1.289 457 C CB 1.014 28.475 27.740 -0.465 0.000 1.702 457 C HN 0.661 nan 8.230 nan 0.000 0.516 458 P HA 0.390 nan 4.420 nan 0.000 0.267 458 P C -0.639 176.540 177.300 -0.201 0.000 1.209 458 P CA 0.609 63.296 63.100 -0.689 0.000 0.763 458 P CB 1.062 32.351 31.700 -0.686 0.000 0.816 459 A N 2.761 125.513 122.820 -0.113 0.000 2.429 459 A HA 0.327 4.648 4.320 0.001 0.000 0.289 459 A C -0.832 176.802 177.584 0.083 0.000 1.043 459 A CA -0.573 51.503 52.037 0.065 0.000 0.722 459 A CB 1.002 20.128 19.000 0.209 0.000 1.243 459 A HN 0.432 nan 8.150 nan 0.000 0.415 460 D N 2.493 122.941 120.400 0.080 0.000 2.441 460 D HA 0.094 4.735 4.640 0.001 0.000 0.221 460 D C 0.944 177.375 176.300 0.219 0.000 1.156 460 D CA -0.407 53.674 54.000 0.135 0.000 0.896 460 D CB 0.184 41.028 40.800 0.072 0.000 1.028 460 D HN 0.632 nan 8.370 nan 0.000 0.509 461 W N 4.583 125.911 121.300 0.047 0.000 2.304 461 W HA -0.258 4.402 4.660 0.001 0.000 0.315 461 W C 1.814 178.368 176.519 0.057 0.000 1.233 461 W CA 1.250 58.612 57.345 0.028 0.000 1.261 461 W CB -0.113 29.349 29.460 0.003 0.000 1.150 461 W HN 0.456 nan 8.180 nan 0.000 0.494 462 I N -0.945 119.956 120.570 0.551 0.000 2.248 462 I HA -0.332 3.838 4.170 0.001 0.000 0.248 462 I C 1.790 178.045 176.117 0.229 0.000 1.107 462 I CA 1.638 63.199 61.300 0.435 0.000 1.373 462 I CB -0.670 37.588 38.000 0.430 0.000 1.055 462 I HN 0.139 nan 8.210 nan 0.000 0.418 463 W N 0.126 121.421 121.300 -0.008 0.000 2.704 463 W HA 0.128 4.788 4.660 0.001 0.000 0.266 463 W C 2.221 178.640 176.519 -0.167 0.000 1.266 463 W CA 0.243 57.550 57.345 -0.063 0.000 1.377 463 W CB -0.320 29.129 29.460 -0.019 0.000 1.082 463 W HN -0.025 nan 8.180 nan 0.000 0.608 464 L N -0.382 120.809 121.223 -0.054 0.000 2.179 464 L HA -0.010 4.331 4.340 0.001 0.000 0.208 464 L C 0.683 177.331 176.870 -0.368 0.000 1.096 464 L CA 0.359 55.030 54.840 -0.281 0.000 0.779 464 L CB -0.914 40.880 42.059 -0.443 0.000 0.922 464 L HN -0.415 nan 8.230 nan 0.000 0.443 465 V N 1.424 121.048 119.914 -0.483 0.000 2.470 465 V HA 0.117 4.238 4.120 0.001 0.000 0.276 465 V C -1.883 174.025 176.094 -0.309 0.000 1.040 465 V CA -1.354 60.660 62.300 -0.476 0.000 1.008 465 V CB 0.258 31.622 31.823 -0.766 0.000 0.990 465 V HN 0.038 nan 8.190 nan 0.000 0.477 466 P HA 0.099 nan 4.420 nan 0.000 0.265 466 P C -2.023 175.127 177.300 -0.250 0.000 1.187 466 P CA -0.827 62.128 63.100 -0.242 0.000 0.766 466 P CB 0.016 31.584 31.700 -0.221 0.000 0.820 467 P HA -0.062 nan 4.420 nan 0.000 0.231 467 P C 0.141 177.315 177.300 -0.211 0.000 1.158 467 P CA 1.390 64.355 63.100 -0.225 0.000 0.763 467 P CB -0.122 31.440 31.700 -0.231 0.000 0.805 468 M N -5.790 113.649 119.600 -0.269 0.000 2.433 468 M HA 0.545 5.026 4.480 0.001 0.000 0.290 468 M C -0.441 175.754 176.300 -0.174 0.000 1.173 468 M CA -0.733 54.435 55.300 -0.219 0.000 0.905 468 M CB 2.123 34.576 32.600 -0.245 0.000 1.692 468 M HN -0.386 nan 8.290 nan 0.000 0.462 469 S N 1.023 116.669 115.700 -0.090 0.000 3.682 469 S HA -0.163 4.308 4.470 0.001 0.000 0.354 469 S C 1.100 175.650 174.600 -0.083 0.000 1.034 469 S CA 0.746 58.924 58.200 -0.037 0.000 1.084 469 S CB -1.802 61.459 63.200 0.101 0.000 0.903 469 S HN 1.219 nan 8.310 nan 0.000 0.470 470 G N 1.955 110.666 108.800 -0.149 0.000 2.586 470 G HA2 -0.311 3.649 3.960 0.001 0.000 0.218 470 G HA3 -0.311 3.649 3.960 0.001 0.000 0.218 470 G C 1.448 176.143 174.900 -0.341 0.000 1.216 470 G CA 1.434 46.428 45.100 -0.176 0.000 0.786 470 G HN 0.891 nan 8.290 nan 0.000 0.583 471 S N 0.040 115.279 115.700 -0.768 0.000 2.440 471 S HA -0.070 4.401 4.470 0.001 0.000 0.238 471 S C 2.127 176.687 174.600 -0.066 0.000 1.010 471 S CA 0.917 58.602 58.200 -0.859 0.000 0.972 471 S CB -0.244 62.501 63.200 -0.758 0.000 0.774 471 S HN 0.203 nan 8.310 nan 0.000 0.501 472 I N 2.130 122.691 120.570 -0.014 0.000 3.428 472 I HA 0.075 4.246 4.170 0.001 0.000 0.286 472 I C 1.072 177.305 176.117 0.194 0.000 1.287 472 I CA 0.511 61.887 61.300 0.127 0.000 1.396 472 I CB -1.936 36.163 38.000 0.163 0.000 1.062 472 I HN 0.421 nan 8.210 nan 0.000 0.471 473 T N -1.069 113.582 114.554 0.161 0.000 2.824 473 T HA 0.370 4.721 4.350 0.001 0.000 0.280 473 T C -1.422 173.452 174.700 0.290 0.000 0.995 473 T CA -1.858 60.347 62.100 0.174 0.000 1.009 473 T CB 2.429 71.336 68.868 0.065 0.000 0.955 473 T HN -0.109 nan 8.240 nan 0.000 0.452 474 P HA -0.155 nan 4.420 nan 0.000 0.218 474 P C 1.870 179.387 177.300 0.362 0.000 1.148 474 P CA 1.310 64.622 63.100 0.353 0.000 0.822 474 P CB -0.303 31.548 31.700 0.252 0.000 0.784 475 V N -3.172 116.883 119.914 0.235 0.000 2.469 475 V HA -0.230 3.891 4.120 0.001 0.000 0.251 475 V C 2.389 178.538 176.094 0.091 0.000 1.064 475 V CA 1.549 63.932 62.300 0.138 0.000 1.066 475 V CB -2.291 29.495 31.823 -0.061 0.000 0.667 475 V HN -0.090 nan 8.190 nan 0.000 0.461 476 F N 1.921 121.835 119.950 -0.060 0.000 2.161 476 F HA -0.179 4.349 4.527 0.001 0.000 0.300 476 F C 2.463 178.388 175.800 0.209 0.000 1.089 476 F CA 2.379 60.339 58.000 -0.067 0.000 1.282 476 F CB -0.348 38.520 39.000 -0.221 0.000 1.010 476 F HN 0.301 nan 8.300 nan 0.000 0.485 477 H N -1.103 118.251 119.070 0.472 0.000 2.548 477 H HA 0.072 4.628 4.556 0.001 0.000 0.265 477 H C 0.484 176.050 175.328 0.396 0.000 0.969 477 H CA 0.276 56.576 56.048 0.420 0.000 1.155 477 H CB -0.193 29.833 29.762 0.440 0.000 1.394 477 H HN 0.253 nan 8.280 nan 0.000 0.570 478 Q N 2.196 122.267 119.800 0.453 0.000 2.295 478 Q HA 0.094 4.435 4.340 0.001 0.000 0.259 478 Q C -0.501 175.729 176.000 0.383 0.000 0.976 478 Q CA -0.136 55.895 55.803 0.381 0.000 0.923 478 Q CB 0.589 29.538 28.738 0.352 0.000 1.185 478 Q HN 0.246 nan 8.270 nan 0.000 0.410 479 E N 4.088 124.456 120.200 0.280 0.000 2.354 479 E HA 0.355 4.706 4.350 0.001 0.000 0.269 479 E C -0.438 176.284 176.600 0.204 0.000 1.036 479 E CA -0.014 56.510 56.400 0.207 0.000 0.876 479 E CB 0.703 30.500 29.700 0.162 0.000 1.009 479 E HN 0.669 nan 8.360 nan 0.000 0.416 480 M N 1.098 120.814 119.600 0.193 0.000 2.520 480 M HA 0.464 4.945 4.480 0.001 0.000 0.283 480 M C -1.497 174.891 176.300 0.147 0.000 1.237 480 M CA -0.927 54.489 55.300 0.192 0.000 0.885 480 M CB 1.396 34.151 32.600 0.260 0.000 1.727 480 M HN 0.223 nan 8.290 nan 0.000 0.468 481 L N 1.920 123.231 121.223 0.147 0.000 2.295 481 L HA 0.534 4.874 4.340 0.001 0.000 0.285 481 L C -0.458 176.441 176.870 0.049 0.000 1.035 481 L CA -0.399 54.534 54.840 0.155 0.000 0.806 481 L CB 1.631 43.859 42.059 0.282 0.000 1.214 481 L HN 0.823 nan 8.230 nan 0.000 0.426 482 N N 2.672 121.416 118.700 0.074 0.000 2.408 482 N HA 0.540 5.281 4.740 0.001 0.000 0.280 482 N C -1.787 173.770 175.510 0.078 0.000 1.002 482 N CA -0.442 52.593 53.050 -0.025 0.000 0.907 482 N CB 1.240 39.751 38.487 0.040 0.000 1.161 482 N HN 0.492 nan 8.380 nan 0.000 0.488 483 Y N -0.267 120.051 120.300 0.030 0.000 2.558 483 Y HA 0.400 4.951 4.550 0.001 0.000 0.333 483 Y C -1.420 174.439 175.900 -0.067 0.000 1.125 483 Y CA -1.206 56.886 58.100 -0.014 0.000 1.039 483 Y CB 0.307 38.767 38.460 -0.001 0.000 1.331 483 Y HN -0.020 nan 8.280 nan 0.000 0.456 484 V N 4.437 124.356 119.914 0.009 0.000 2.432 484 V HA 0.423 4.544 4.120 0.001 0.000 0.275 484 V C 0.229 176.219 176.094 -0.173 0.000 1.043 484 V CA -0.307 61.778 62.300 -0.358 0.000 0.925 484 V CB 0.561 32.026 31.823 -0.595 0.000 0.985 484 V HN 0.797 nan 8.190 nan 0.000 0.466 485 L N 2.876 124.010 121.223 -0.147 0.000 2.664 485 L HA 0.789 5.129 4.340 0.001 0.000 0.253 485 L C 0.128 177.005 176.870 0.011 0.000 1.293 485 L CA -0.589 54.257 54.840 0.009 0.000 1.280 485 L CB 1.696 43.812 42.059 0.095 0.000 1.993 485 L HN 0.628 nan 8.230 nan 0.000 0.577 486 S N -0.757 114.993 115.700 0.082 0.000 2.543 486 S HA 0.517 4.987 4.470 0.001 0.000 0.273 486 S C -2.761 171.918 174.600 0.132 0.000 1.152 486 S CA -0.966 57.307 58.200 0.122 0.000 0.910 486 S CB 1.945 65.228 63.200 0.138 0.000 1.105 486 S HN 0.120 nan 8.310 nan 0.000 0.465 487 P HA 0.452 nan 4.420 nan 0.000 0.271 487 P C -1.226 176.075 177.300 0.002 0.000 1.238 487 P CA -0.067 63.038 63.100 0.009 0.000 0.794 487 P CB 0.242 31.873 31.700 -0.113 0.000 0.959 488 F N -0.160 119.602 119.950 -0.314 0.000 2.703 488 F HA 0.414 4.941 4.527 0.001 0.000 0.308 488 F C -1.696 173.779 175.800 -0.541 0.000 1.126 488 F CA -0.703 57.028 58.000 -0.449 0.000 0.959 488 F CB 1.117 39.834 39.000 -0.471 0.000 1.297 488 F HN 0.154 nan 8.300 nan 0.000 0.441 489 Y N 4.248 123.973 120.300 -0.958 0.000 2.491 489 Y HA 0.436 4.987 4.550 0.001 0.000 0.334 489 Y C -0.980 174.563 175.900 -0.595 0.000 0.969 489 Y CA -0.718 57.018 58.100 -0.606 0.000 1.241 489 Y CB 0.308 38.373 38.460 -0.658 0.000 1.105 489 Y HN 0.340 nan 8.280 nan 0.000 0.503 490 Y N 1.255 121.599 120.300 0.073 0.000 2.335 490 Y HA 0.337 4.887 4.550 0.001 0.000 0.323 490 Y C -0.158 175.749 175.900 0.012 0.000 1.224 490 Y CA -1.025 57.151 58.100 0.127 0.000 1.241 490 Y CB 0.715 39.304 38.460 0.215 0.000 1.235 490 Y HN 0.431 nan 8.280 nan 0.000 0.492 491 Y N 1.032 121.486 120.300 0.257 0.000 2.314 491 Y HA 0.260 4.811 4.550 0.001 0.000 0.334 491 Y C 0.297 176.266 175.900 0.115 0.000 1.266 491 Y CA -0.305 57.874 58.100 0.132 0.000 1.391 491 Y CB 0.600 39.106 38.460 0.077 0.000 1.306 491 Y HN 0.456 nan 8.280 nan 0.000 0.558 492 Q N 0.091 120.018 119.800 0.212 0.000 2.445 492 Q HA 0.588 4.929 4.340 0.001 0.000 0.281 492 Q C -1.377 174.615 176.000 -0.013 0.000 1.101 492 Q CA -1.332 54.519 55.803 0.079 0.000 0.833 492 Q CB 2.410 31.167 28.738 0.032 0.000 1.416 492 Q HN 0.343 nan 8.270 nan 0.000 0.451 493 V N 1.703 121.562 119.914 -0.092 0.000 2.530 493 V HA 0.046 4.166 4.120 0.001 0.000 0.282 493 V C -0.276 175.612 176.094 -0.343 0.000 1.048 493 V CA -0.288 61.903 62.300 -0.182 0.000 0.997 493 V CB 0.889 32.613 31.823 -0.166 0.000 0.987 493 V HN 0.668 nan 8.190 nan 0.000 0.477 494 E N 3.299 123.195 120.200 -0.508 0.000 2.729 494 E HA 0.051 4.402 4.350 0.001 0.000 0.246 494 E C 1.299 177.256 176.600 -1.071 0.000 0.984 494 E CA 0.628 56.445 56.400 -0.972 0.000 0.951 494 E CB 0.367 29.139 29.700 -1.548 0.000 0.914 494 E HN 0.787 nan 8.360 nan 0.000 0.509 495 A N 4.505 126.706 122.820 -1.033 0.000 1.896 495 A HA -0.255 4.066 4.320 0.001 0.000 0.220 495 A C 1.784 178.725 177.584 -1.073 0.000 1.206 495 A CA 2.263 53.605 52.037 -1.159 0.000 0.647 495 A CB -1.156 16.642 19.000 -2.005 0.000 0.828 495 A HN 0.990 nan 8.150 nan 0.000 0.455 496 W N -0.072 120.679 121.300 -0.916 0.000 2.387 496 W HA -0.062 4.598 4.660 0.001 0.000 0.272 496 W C 1.451 177.946 176.519 -0.039 0.000 1.224 496 W CA 1.148 58.320 57.345 -0.287 0.000 1.210 496 W CB -0.282 29.278 29.460 0.166 0.000 1.125 496 W HN 0.197 nan 8.180 nan 0.000 0.572 497 K N 0.178 120.359 120.400 -0.365 0.000 2.366 497 K HA -0.010 4.311 4.320 0.001 0.000 0.198 497 K C 1.882 178.426 176.600 -0.094 0.000 1.044 497 K CA 1.720 57.916 56.287 -0.152 0.000 0.973 497 K CB -0.134 32.198 32.500 -0.279 0.000 0.767 497 K HN 0.445 nan 8.250 nan 0.000 0.475 498 T N -3.606 110.851 114.554 -0.160 0.000 2.989 498 T HA -0.018 4.333 4.350 0.001 0.000 0.250 498 T C 0.622 175.264 174.700 -0.097 0.000 0.981 498 T CA -0.338 61.694 62.100 -0.112 0.000 0.980 498 T CB -0.382 68.402 68.868 -0.140 0.000 1.133 498 T HN 0.167 nan 8.240 nan 0.000 0.489 499 H N 1.788 120.710 119.070 -0.247 0.000 3.115 499 H HA 0.340 4.896 4.556 0.001 0.000 0.324 499 H C -0.641 174.505 175.328 -0.302 0.000 1.007 499 H CA 0.354 56.233 56.048 -0.282 0.000 1.385 499 H CB 0.381 29.935 29.762 -0.346 0.000 1.351 499 H HN 0.128 nan 8.280 nan 0.000 0.592 500 V N 6.827 126.206 119.914 -0.891 0.000 2.350 500 V HA 0.078 4.199 4.120 0.001 0.000 0.276 500 V C -0.269 175.405 176.094 -0.700 0.000 1.028 500 V CA -0.659 61.311 62.300 -0.550 0.000 0.860 500 V CB 0.130 31.776 31.823 -0.295 0.000 0.990 500 V HN 0.733 nan 8.190 nan 0.000 0.453 501 W N 3.218 124.469 121.300 -0.082 0.000 2.170 501 W HA 0.411 5.071 4.660 0.001 0.000 0.336 501 W C 0.700 177.232 176.519 0.023 0.000 1.283 501 W CA -0.109 57.282 57.345 0.077 0.000 1.224 501 W CB 0.354 29.898 29.460 0.140 0.000 1.132 501 W HN 0.524 nan 8.180 nan 0.000 0.571 502 Q N 0.000 120.000 119.800 0.333 0.000 2.315 502 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 502 Q CA 0.000 55.909 55.803 0.177 0.000 1.022 502 Q CB 0.000 28.812 28.738 0.123 0.000 1.108 502 Q HN 0.000 nan 8.270 nan 0.000 0.481