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 3e7i_1_A DATA FIRST_RESID 77 DATA SEQUENCE QYVRIKNWGS GEILHDTLHH KATSDFTCKS KSCLGSIMNP KSLTRGPRDK DATA SEQUENCE PTPLEELLPH AIEFINQYYG SFKEAKIEEH LARLEAVTKE IETTGTYQLT DATA SEQUENCE LDELIFATKM AWRNAPRCIG RIQWSNLQVF DARNCSTAQE MFQHICRHIL DATA SEQUENCE YATNNGNIRS AITVFPQRSD GKHDFRLWNS QLIRYAGYQM PDGTIRGDAA DATA SEQUENCE TLEFTQLCID LGWKPRYGRF DVLPLVLQAD GQDPEVFEIP PDLVLEVTME DATA SEQUENCE HPKYEWFQEL GLKWYALPAV ANMLLEVGGL EFPACPFNGW YMGTEIGVRD DATA SEQUENCE FCDTQRYNIL EEVGRRMGLE THTLASLWKD RAVTEINVAV LHSFQKQNVT DATA SEQUENCE IMDHHTASES FMKHMQNEYR ARGGCPADWI WLVPPVSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ IEPWKTHIWQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 77 Q HA 0.000 nan 4.340 nan 0.000 0.214 77 Q C 0.000 176.140 176.000 0.233 0.000 1.003 77 Q CA 0.000 55.928 55.803 0.208 0.000 1.022 77 Q CB 0.000 28.782 28.738 0.074 0.000 1.108 78 Y N -0.232 120.098 120.300 0.050 0.000 2.562 78 Y HA 0.782 5.332 4.550 0.000 0.000 0.345 78 Y C -1.401 174.501 175.900 0.004 0.000 1.045 78 Y CA -1.228 56.886 58.100 0.023 0.000 1.028 78 Y CB 1.492 39.932 38.460 -0.034 0.000 1.297 78 Y HN -0.107 nan 8.280 nan 0.000 0.463 79 V N 4.305 124.426 119.914 0.346 0.000 2.472 79 V HA 0.506 4.626 4.120 0.000 0.000 0.290 79 V C -0.009 176.260 176.094 0.292 0.000 1.037 79 V CA -0.890 61.501 62.300 0.152 0.000 0.908 79 V CB 1.433 33.233 31.823 -0.038 0.000 0.985 79 V HN 0.859 nan 8.190 nan 0.000 0.454 80 R N 3.632 124.254 120.500 0.204 0.000 2.357 80 R HA 0.627 4.967 4.340 0.000 0.000 0.296 80 R C -1.078 175.312 176.300 0.150 0.000 1.052 80 R CA -0.334 55.910 56.100 0.240 0.000 0.988 80 R CB 0.766 31.178 30.300 0.187 0.000 1.025 80 R HN 0.641 nan 8.270 nan 0.000 0.469 81 I N 3.629 124.283 120.570 0.141 0.000 2.499 81 I HA 0.258 4.428 4.170 0.000 0.000 0.288 81 I C -0.620 175.534 176.117 0.061 0.000 1.048 81 I CA -0.668 60.692 61.300 0.101 0.000 1.062 81 I CB 2.054 40.106 38.000 0.087 0.000 1.238 81 I HN 0.479 nan 8.210 nan 0.000 0.426 82 K N 5.677 126.108 120.400 0.051 0.000 2.164 82 K HA 0.331 4.651 4.320 0.000 0.000 0.258 82 K C -0.540 176.023 176.600 -0.061 0.000 0.951 82 K CA -0.628 55.598 56.287 -0.102 0.000 0.844 82 K CB 1.265 33.556 32.500 -0.348 0.000 1.099 82 K HN 0.478 nan 8.250 nan 0.000 0.435 83 N N 4.772 123.403 118.700 -0.116 0.000 2.817 83 N HA 0.069 4.809 4.740 0.000 0.000 0.234 83 N C -0.405 175.086 175.510 -0.032 0.000 1.066 83 N CA -0.387 52.669 53.050 0.010 0.000 0.926 83 N CB 0.262 38.761 38.487 0.021 0.000 1.176 83 N HN 0.652 nan 8.380 nan 0.000 0.506 84 W N 2.221 123.551 121.300 0.049 0.000 2.654 84 W HA 0.005 4.665 4.660 0.000 0.000 0.265 84 W C 1.822 178.369 176.519 0.047 0.000 1.221 84 W CA 0.402 57.778 57.345 0.053 0.000 1.213 84 W CB -0.197 29.296 29.460 0.055 0.000 1.144 84 W HN 0.542 nan 8.180 nan 0.000 0.623 85 G N -0.812 108.086 108.800 0.163 0.000 2.729 85 G HA2 -0.112 3.848 3.960 0.000 0.000 0.211 85 G HA3 -0.112 3.848 3.960 0.000 0.000 0.211 85 G C 1.484 176.426 174.900 0.070 0.000 1.182 85 G CA 0.655 45.828 45.100 0.121 0.000 0.851 85 G HN 0.233 nan 8.290 nan 0.000 0.607 86 S N -0.099 115.623 115.700 0.038 0.000 2.558 86 S HA 0.332 4.802 4.470 0.000 0.000 0.217 86 S C 1.891 176.478 174.600 -0.022 0.000 0.975 86 S CA 1.055 59.264 58.200 0.014 0.000 0.912 86 S CB 0.008 63.214 63.200 0.010 0.000 0.776 86 S HN 1.573 nan 8.310 nan 0.000 0.526 87 G N 1.337 110.101 108.800 -0.060 0.000 2.203 87 G HA2 -0.330 3.630 3.960 0.000 0.000 0.263 87 G HA3 -0.330 3.630 3.960 0.000 0.000 0.263 87 G C -0.134 174.684 174.900 -0.136 0.000 1.012 87 G CA 0.646 45.654 45.100 -0.153 0.000 0.749 87 G HN 0.720 nan 8.290 nan 0.000 0.512 88 E N -0.753 119.392 120.200 -0.091 0.000 2.371 88 E HA 0.626 4.976 4.350 0.000 0.000 0.257 88 E C 0.581 177.131 176.600 -0.083 0.000 1.134 88 E CA -0.623 55.734 56.400 -0.072 0.000 0.919 88 E CB 0.475 30.148 29.700 -0.044 0.000 1.025 88 E HN 0.381 nan 8.360 nan 0.000 0.438 89 I N 1.964 122.495 120.570 -0.065 0.000 2.957 89 I HA 0.458 4.628 4.170 0.000 0.000 0.310 89 I C -0.628 175.459 176.117 -0.051 0.000 1.063 89 I CA -0.930 60.346 61.300 -0.040 0.000 1.033 89 I CB 1.573 39.569 38.000 -0.008 0.000 1.230 89 I HN 0.408 nan 8.210 nan 0.000 0.447 90 L N 2.017 123.242 121.223 0.003 0.000 2.518 90 L HA 0.450 4.790 4.340 0.000 0.000 0.257 90 L C -1.260 175.680 176.870 0.116 0.000 0.980 90 L CA -0.640 54.180 54.840 -0.033 0.000 0.837 90 L CB 2.597 44.651 42.059 -0.008 0.000 1.410 90 L HN 0.559 nan 8.230 nan 0.000 0.410 91 H N 0.726 119.692 119.070 -0.173 0.000 2.638 91 H HA 0.180 4.736 4.556 0.000 0.000 0.317 91 H C -1.236 174.013 175.328 -0.132 0.000 1.006 91 H CA -0.781 55.079 56.048 -0.314 0.000 1.222 91 H CB 2.126 31.337 29.762 -0.918 0.000 1.419 91 H HN 0.419 nan 8.280 nan 0.000 0.489 92 D N 3.083 123.576 120.400 0.154 0.000 2.365 92 D HA 0.037 4.677 4.640 0.000 0.000 0.237 92 D C 0.446 176.825 176.300 0.130 0.000 1.190 92 D CA 0.078 54.171 54.000 0.155 0.000 0.867 92 D CB 1.293 42.221 40.800 0.212 0.000 1.050 92 D HN 0.571 nan 8.370 nan 0.000 0.491 93 T N 3.951 118.488 114.554 -0.028 0.000 2.925 93 T HA -0.027 4.323 4.350 0.000 0.000 0.245 93 T C 2.076 176.572 174.700 -0.341 0.000 1.025 93 T CA -0.141 61.855 62.100 -0.173 0.000 1.149 93 T CB -0.106 68.731 68.868 -0.052 0.000 0.866 93 T HN 0.379 nan 8.240 nan 0.000 0.437 94 L N 1.901 123.036 121.223 -0.147 0.000 2.085 94 L HA -0.321 4.019 4.340 0.000 0.000 0.218 94 L C 2.595 179.392 176.870 -0.121 0.000 1.080 94 L CA 2.381 57.165 54.840 -0.093 0.000 0.776 94 L CB -0.484 41.563 42.059 -0.020 0.000 0.891 94 L HN 0.613 nan 8.230 nan 0.000 0.437 95 H N -3.234 115.799 119.070 -0.062 0.000 2.541 95 H HA -0.206 4.350 4.556 0.000 0.000 0.289 95 H C 1.791 177.117 175.328 -0.002 0.000 1.054 95 H CA 1.788 57.798 56.048 -0.063 0.000 1.250 95 H CB -0.881 28.815 29.762 -0.111 0.000 1.369 95 H HN 0.551 nan 8.280 nan 0.000 0.578 96 H N 0.585 119.444 119.070 -0.351 0.000 2.462 96 H HA 0.073 4.629 4.556 0.000 0.000 0.292 96 H C 1.172 176.473 175.328 -0.044 0.000 1.049 96 H CA 0.587 56.540 56.048 -0.159 0.000 1.334 96 H CB 0.324 29.962 29.762 -0.207 0.000 1.404 96 H HN 0.387 nan 8.280 nan 0.000 0.544 97 K N 1.045 121.494 120.400 0.081 0.000 2.569 97 K HA 0.159 4.479 4.320 0.000 0.000 0.193 97 K C 0.336 176.975 176.600 0.064 0.000 1.026 97 K CA -0.164 56.157 56.287 0.057 0.000 1.093 97 K CB 0.522 33.043 32.500 0.035 0.000 0.849 97 K HN 0.144 nan 8.250 nan 0.000 0.509 98 A N 1.719 124.591 122.820 0.087 0.000 2.561 98 A HA -0.019 4.301 4.320 0.000 0.000 0.251 98 A C 1.075 178.708 177.584 0.083 0.000 1.062 98 A CA 0.171 52.261 52.037 0.088 0.000 0.761 98 A CB -0.062 19.001 19.000 0.104 0.000 0.986 98 A HN 0.247 nan 8.150 nan 0.000 0.510 99 T N 2.774 117.377 114.554 0.082 0.000 2.334 99 T HA -0.108 4.242 4.350 0.000 0.000 0.224 99 T C 1.697 176.441 174.700 0.073 0.000 1.464 99 T CA 2.047 64.190 62.100 0.072 0.000 1.331 99 T CB -0.251 68.662 68.868 0.074 0.000 0.874 99 T HN 0.756 nan 8.240 nan 0.000 0.385 100 S N 0.086 115.837 115.700 0.083 0.000 3.290 100 S HA 0.348 4.819 4.470 0.000 0.000 0.176 100 S C -0.277 174.382 174.600 0.097 0.000 0.815 100 S CA -0.462 57.783 58.200 0.075 0.000 1.075 100 S CB 0.001 63.235 63.200 0.056 0.000 0.879 100 S HN 0.410 nan 8.310 nan 0.000 0.795 101 D N -0.333 120.126 120.400 0.099 0.000 2.228 101 D HA 0.681 5.321 4.640 0.000 0.000 0.247 101 D C -0.951 175.460 176.300 0.185 0.000 0.995 101 D CA -0.401 53.671 54.000 0.121 0.000 0.903 101 D CB 1.223 42.065 40.800 0.071 0.000 1.205 101 D HN 0.042 nan 8.370 nan 0.000 0.459 102 F N -0.425 119.533 119.950 0.014 0.000 2.809 102 F HA 0.270 4.797 4.527 0.000 0.000 0.347 102 F C 1.804 177.606 175.800 0.004 0.000 1.306 102 F CA -0.395 57.611 58.000 0.010 0.000 1.084 102 F CB 0.463 39.470 39.000 0.012 0.000 1.761 102 F HN 0.247 nan 8.300 nan 0.000 0.485 103 T N -0.363 114.090 114.554 -0.168 0.000 3.055 103 T HA 0.000 4.350 4.350 0.000 0.000 0.265 103 T C 0.961 175.690 174.700 0.048 0.000 1.111 103 T CA 1.351 63.376 62.100 -0.125 0.000 1.118 103 T CB -0.638 68.112 68.868 -0.196 0.000 0.909 103 T HN 0.671 nan 8.240 nan 0.000 0.501 104 C N -1.307 118.086 119.300 0.156 0.000 3.839 104 C HA 0.529 4.989 4.460 0.000 0.000 0.557 104 C C 0.194 175.248 174.990 0.108 0.000 1.204 104 C CA -0.849 58.235 59.018 0.111 0.000 2.564 104 C CB -0.059 27.747 27.740 0.110 0.000 3.615 104 C HN 0.304 nan 8.230 nan 0.000 0.454 105 K N 2.261 122.748 120.400 0.145 0.000 2.185 105 K HA 0.603 4.923 4.320 0.000 0.000 0.240 105 K C -0.202 176.469 176.600 0.118 0.000 0.983 105 K CA -0.120 56.224 56.287 0.095 0.000 0.873 105 K CB 1.112 33.639 32.500 0.045 0.000 1.118 105 K HN 0.150 nan 8.250 nan 0.000 0.441 106 S N 3.129 118.876 115.700 0.079 0.000 3.944 106 S HA 0.047 4.517 4.470 0.000 0.000 0.215 106 S C -0.892 173.762 174.600 0.090 0.000 1.220 106 S CA 0.187 58.438 58.200 0.084 0.000 0.950 106 S CB -1.111 62.126 63.200 0.062 0.000 1.615 106 S HN 0.573 nan 8.310 nan 0.000 0.466 107 K N 1.356 121.840 120.400 0.139 0.000 5.934 107 K HA -0.153 4.167 4.320 0.000 0.000 0.500 107 K C -0.683 175.871 176.600 -0.077 0.000 1.231 107 K CA 0.812 57.155 56.287 0.093 0.000 1.388 107 K CB -1.534 31.038 32.500 0.120 0.000 1.841 107 K HN 0.517 nan 8.250 nan 0.000 0.357 108 S N 2.039 117.558 115.700 -0.303 0.000 2.849 108 S HA 0.250 4.720 4.470 0.000 0.000 0.298 108 S C -1.702 172.693 174.600 -0.342 0.000 0.739 108 S CA -0.309 57.691 58.200 -0.333 0.000 0.730 108 S CB 0.090 63.184 63.200 -0.177 0.000 0.937 108 S HN 0.942 nan 8.310 nan 0.000 0.551 109 C N 7.045 126.118 119.300 -0.378 0.000 2.431 109 C HA 0.703 5.163 4.460 0.000 0.000 0.321 109 C C -0.227 174.692 174.990 -0.120 0.000 1.202 109 C CA -0.555 58.346 59.018 -0.196 0.000 1.398 109 C CB 0.479 28.122 27.740 -0.161 0.000 2.047 109 C HN 0.829 nan 8.230 nan 0.000 0.465 110 L N 5.801 126.987 121.223 -0.060 0.000 3.110 110 L HA 0.299 4.639 4.340 0.000 0.000 0.266 110 L C 1.886 178.762 176.870 0.010 0.000 1.257 110 L CA 0.557 55.377 54.840 -0.034 0.000 1.038 110 L CB -0.654 41.377 42.059 -0.047 0.000 1.395 110 L HN 1.042 nan 8.230 nan 0.000 0.566 111 G N -0.283 108.536 108.800 0.032 0.000 2.509 111 G HA2 -0.227 3.733 3.960 0.000 0.000 0.218 111 G HA3 -0.227 3.733 3.960 0.000 0.000 0.218 111 G C 1.514 176.473 174.900 0.098 0.000 1.124 111 G CA 1.039 46.178 45.100 0.066 0.000 0.776 111 G HN 0.411 nan 8.290 nan 0.000 0.547 112 S N -0.268 115.487 115.700 0.091 0.000 2.562 112 S HA 0.200 4.670 4.470 0.000 0.000 0.221 112 S C 0.963 175.639 174.600 0.127 0.000 0.975 112 S CA -0.523 57.748 58.200 0.119 0.000 0.918 112 S CB -0.237 63.023 63.200 0.100 0.000 0.772 112 S HN 0.044 nan 8.310 nan 0.000 0.531 113 I N 2.771 123.399 120.570 0.096 0.000 2.529 113 I HA 0.113 4.283 4.170 0.000 0.000 0.284 113 I C 1.581 177.749 176.117 0.084 0.000 1.082 113 I CA 0.093 61.453 61.300 0.100 0.000 1.406 113 I CB 0.700 38.733 38.000 0.054 0.000 1.405 113 I HN 0.311 nan 8.210 nan 0.000 0.548 114 M N 4.444 124.103 119.600 0.099 0.000 2.062 114 M HA -0.101 4.380 4.480 0.000 0.000 0.259 114 M C 0.418 176.628 176.300 -0.149 0.000 1.076 114 M CA 1.634 56.936 55.300 0.003 0.000 1.122 114 M CB -0.318 32.176 32.600 -0.177 0.000 1.312 114 M HN 0.491 nan 8.290 nan 0.000 0.412 115 N N 1.483 120.104 118.700 -0.132 0.000 3.044 115 N HA 0.309 5.049 4.740 0.000 0.000 0.254 115 N C -2.393 173.020 175.510 -0.163 0.000 1.253 115 N CA -0.776 52.095 53.050 -0.297 0.000 0.944 115 N CB 0.614 38.970 38.487 -0.220 0.000 1.217 115 N HN 0.278 nan 8.380 nan 0.000 0.498 116 P HA 0.203 nan 4.420 nan 0.000 0.278 116 P C 0.582 177.846 177.300 -0.059 0.000 1.238 116 P CA -0.336 62.721 63.100 -0.072 0.000 0.794 116 P CB 2.007 33.673 31.700 -0.058 0.000 0.955 117 K N 0.731 121.116 120.400 -0.026 0.000 2.211 117 K HA -0.109 4.211 4.320 0.000 0.000 0.204 117 K C 2.078 178.694 176.600 0.027 0.000 1.047 117 K CA 1.868 58.153 56.287 -0.003 0.000 0.935 117 K CB -0.309 32.186 32.500 -0.010 0.000 0.728 117 K HN 0.558 nan 8.250 nan 0.000 0.452 118 S N 0.857 116.567 115.700 0.017 0.000 2.400 118 S HA -0.139 4.331 4.470 0.000 0.000 0.232 118 S C 1.585 176.248 174.600 0.104 0.000 1.025 118 S CA 1.040 59.263 58.200 0.037 0.000 0.993 118 S CB -0.164 63.039 63.200 0.005 0.000 0.808 118 S HN 0.119 nan 8.310 nan 0.000 0.478 119 L N 1.409 122.698 121.223 0.110 0.000 2.667 119 L HA 0.350 4.690 4.340 0.000 0.000 0.232 119 L C 0.482 177.649 176.870 0.494 0.000 1.138 119 L CA 0.381 55.360 54.840 0.231 0.000 0.921 119 L CB -0.090 42.044 42.059 0.126 0.000 1.180 119 L HN 0.218 nan 8.230 nan 0.000 0.487 120 T N -1.009 113.753 114.554 0.347 0.000 2.944 120 T HA 0.631 4.981 4.350 0.000 0.000 0.284 120 T C -0.330 174.465 174.700 0.157 0.000 1.010 120 T CA -0.588 61.695 62.100 0.305 0.000 1.025 120 T CB 2.165 71.110 68.868 0.129 0.000 1.079 120 T HN -0.138 nan 8.240 nan 0.000 0.516 121 R N 0.508 121.037 120.500 0.049 0.000 2.631 121 R HA 0.544 4.884 4.340 0.000 0.000 0.289 121 R C 0.017 176.283 176.300 -0.058 0.000 1.303 121 R CA -0.257 55.756 56.100 -0.146 0.000 0.989 121 R CB 0.484 30.566 30.300 -0.364 0.000 1.208 121 R HN 0.879 nan 8.270 nan 0.000 0.461 122 G N 2.838 111.604 108.800 -0.057 0.000 2.510 122 G HA2 0.456 4.416 3.960 0.000 0.000 0.280 122 G HA3 0.456 4.416 3.960 0.000 0.000 0.280 122 G C -1.949 172.923 174.900 -0.047 0.000 1.386 122 G CA -1.221 43.852 45.100 -0.045 0.000 1.047 122 G HN 0.469 nan 8.290 nan 0.000 0.527 123 P HA 0.234 nan 4.420 nan 0.000 0.272 123 P C -0.188 177.092 177.300 -0.033 0.000 1.239 123 P CA 0.219 63.298 63.100 -0.035 0.000 0.807 123 P CB 0.379 32.058 31.700 -0.034 0.000 0.951 124 R N -0.257 120.226 120.500 -0.029 0.000 2.716 124 R HA 0.252 4.592 4.340 0.000 0.000 0.271 124 R C -0.531 175.750 176.300 -0.031 0.000 1.028 124 R CA -0.576 55.507 56.100 -0.029 0.000 0.883 124 R CB 1.457 31.740 30.300 -0.028 0.000 1.250 124 R HN 0.335 nan 8.270 nan 0.000 0.465 125 D N 0.160 120.542 120.400 -0.029 0.000 2.448 125 D HA 0.154 4.794 4.640 0.000 0.000 0.256 125 D C -0.613 175.668 176.300 -0.031 0.000 1.108 125 D CA 0.805 54.784 54.000 -0.034 0.000 0.848 125 D CB 0.972 41.756 40.800 -0.026 0.000 1.281 125 D HN 0.264 nan 8.370 nan 0.000 0.509 126 K N 0.508 120.896 120.400 -0.021 0.000 2.444 126 K HA 0.548 4.868 4.320 0.000 0.000 0.252 126 K C -2.701 173.896 176.600 -0.006 0.000 0.993 126 K CA -1.757 54.524 56.287 -0.011 0.000 0.847 126 K CB 1.807 34.303 32.500 -0.006 0.000 1.340 126 K HN -0.291 nan 8.250 nan 0.000 0.446 127 P HA -0.024 nan 4.420 nan 0.000 0.281 127 P C -0.629 176.675 177.300 0.008 0.000 1.274 127 P CA -0.096 63.011 63.100 0.011 0.000 0.794 127 P CB 0.251 31.963 31.700 0.021 0.000 1.201 128 T N 1.167 115.730 114.554 0.014 0.000 2.832 128 T HA 0.286 4.636 4.350 0.000 0.000 0.313 128 T C -2.343 172.370 174.700 0.022 0.000 1.035 128 T CA -1.250 60.861 62.100 0.018 0.000 0.950 128 T CB -0.276 68.608 68.868 0.027 0.000 0.984 128 T HN 0.234 nan 8.240 nan 0.000 0.486 129 P HA -0.076 nan 4.420 nan 0.000 0.252 129 P C 1.189 178.490 177.300 0.002 0.000 1.126 129 P CA 0.025 63.129 63.100 0.006 0.000 0.777 129 P CB 0.273 31.975 31.700 0.002 0.000 0.711 130 L N 4.032 125.254 121.223 -0.001 0.000 2.103 130 L HA -0.216 4.125 4.340 0.000 0.000 0.215 130 L C 2.195 179.046 176.870 -0.032 0.000 1.080 130 L CA 2.141 56.974 54.840 -0.011 0.000 0.764 130 L CB -1.176 40.877 42.059 -0.010 0.000 0.890 130 L HN 0.530 nan 8.230 nan 0.000 0.435 131 E N -0.356 119.823 120.200 -0.035 0.000 2.515 131 E HA -0.182 4.168 4.350 0.000 0.000 0.201 131 E C 1.133 177.677 176.600 -0.092 0.000 1.071 131 E CA 0.855 57.222 56.400 -0.054 0.000 0.880 131 E CB 0.065 29.740 29.700 -0.041 0.000 0.828 131 E HN 0.626 nan 8.360 nan 0.000 0.540 132 E N 0.373 120.522 120.200 -0.086 0.000 2.419 132 E HA 0.188 4.538 4.350 0.000 0.000 0.197 132 E C 2.022 178.555 176.600 -0.111 0.000 0.920 132 E CA -0.136 56.169 56.400 -0.158 0.000 1.085 132 E CB -0.204 29.481 29.700 -0.026 0.000 1.084 132 E HN 0.040 nan 8.360 nan 0.000 0.490 133 L N 1.653 122.885 121.223 0.015 0.000 2.270 133 L HA -0.200 4.140 4.340 0.000 0.000 0.217 133 L C 2.134 179.007 176.870 0.005 0.000 1.107 133 L CA 0.784 55.665 54.840 0.069 0.000 0.772 133 L CB 0.063 42.162 42.059 0.067 0.000 0.902 133 L HN 0.163 nan 8.230 nan 0.000 0.439 134 L N -0.396 120.792 121.223 -0.059 0.000 2.145 134 L HA 0.124 4.464 4.340 0.000 0.000 0.201 134 L C -0.640 176.176 176.870 -0.090 0.000 1.075 134 L CA 1.166 55.950 54.840 -0.093 0.000 0.773 134 L CB -1.398 40.612 42.059 -0.081 0.000 0.936 134 L HN -0.006 nan 8.230 nan 0.000 0.451 135 P HA -0.134 nan 4.420 nan 0.000 0.216 135 P C 1.166 178.428 177.300 -0.063 0.000 1.153 135 P CA 1.553 64.566 63.100 -0.145 0.000 0.848 135 P CB -0.138 31.406 31.700 -0.260 0.000 0.787 136 H N -0.705 118.392 119.070 0.044 0.000 2.389 136 H HA 0.033 4.589 4.556 0.000 0.000 0.299 136 H C 1.959 177.364 175.328 0.129 0.000 1.081 136 H CA 1.431 57.530 56.048 0.085 0.000 1.345 136 H CB -1.091 28.716 29.762 0.075 0.000 1.393 136 H HN 0.040 nan 8.280 nan 0.000 0.520 137 A N 1.757 124.680 122.820 0.173 0.000 1.865 137 A HA -0.157 4.163 4.320 0.000 0.000 0.217 137 A C 2.421 180.083 177.584 0.131 0.000 1.191 137 A CA 1.665 53.750 52.037 0.081 0.000 0.623 137 A CB -0.574 18.222 19.000 -0.340 0.000 0.826 137 A HN 0.207 nan 8.150 nan 0.000 0.444 138 I N 0.157 120.766 120.570 0.065 0.000 2.226 138 I HA -0.225 3.945 4.170 0.000 0.000 0.245 138 I C 2.321 178.532 176.117 0.156 0.000 1.100 138 I CA 1.517 62.869 61.300 0.086 0.000 1.374 138 I CB -1.873 36.152 38.000 0.042 0.000 1.057 138 I HN 0.473 nan 8.210 nan 0.000 0.413 139 E N 0.359 120.669 120.200 0.184 0.000 2.058 139 E HA -0.266 4.084 4.350 0.000 0.000 0.194 139 E C 2.176 178.936 176.600 0.266 0.000 0.997 139 E CA 1.479 58.005 56.400 0.211 0.000 0.801 139 E CB -0.344 29.495 29.700 0.232 0.000 0.746 139 E HN 0.385 nan 8.360 nan 0.000 0.450 140 F N 1.753 121.811 119.950 0.180 0.000 2.046 140 F HA -0.188 4.339 4.527 0.000 0.000 0.297 140 F C 2.094 178.019 175.800 0.209 0.000 1.123 140 F CA 1.365 59.494 58.000 0.216 0.000 1.199 140 F CB -0.422 38.728 39.000 0.250 0.000 0.972 140 F HN -0.099 nan 8.300 nan 0.000 0.474 141 I N 0.593 121.196 120.570 0.053 0.000 2.300 141 I HA -0.392 3.778 4.170 0.000 0.000 0.252 141 I C 2.174 178.271 176.117 -0.033 0.000 1.119 141 I CA 1.399 62.662 61.300 -0.062 0.000 1.384 141 I CB -0.729 37.348 38.000 0.128 0.000 1.062 141 I HN 0.316 nan 8.210 nan 0.000 0.426 142 N N 0.507 119.239 118.700 0.053 0.000 2.148 142 N HA -0.201 4.539 4.740 0.000 0.000 0.186 142 N C 1.881 177.353 175.510 -0.063 0.000 1.031 142 N CA 1.139 54.218 53.050 0.048 0.000 0.848 142 N CB -0.262 38.327 38.487 0.170 0.000 1.005 142 N HN 0.475 nan 8.380 nan 0.000 0.427 143 Q N 0.182 119.975 119.800 -0.013 0.000 2.062 143 Q HA -0.256 4.084 4.340 0.000 0.000 0.209 143 Q C 2.044 177.916 176.000 -0.214 0.000 0.996 143 Q CA 1.652 57.454 55.803 -0.002 0.000 0.859 143 Q CB -0.321 28.517 28.738 0.165 0.000 0.920 143 Q HN 0.371 nan 8.270 nan 0.000 0.415 144 Y N 0.198 120.133 120.300 -0.608 0.000 2.006 144 Y HA -0.328 4.222 4.550 0.000 0.000 0.266 144 Y C 1.883 177.311 175.900 -0.787 0.000 1.133 144 Y CA 2.244 59.710 58.100 -1.057 0.000 1.098 144 Y CB -1.066 36.705 38.460 -1.149 0.000 0.969 144 Y HN 0.241 nan 8.280 nan 0.000 0.482 145 Y N 0.107 120.381 120.300 -0.043 0.000 2.465 145 Y HA -0.037 4.513 4.550 0.000 0.000 0.289 145 Y C 2.428 178.168 175.900 -0.266 0.000 1.150 145 Y CA 1.253 59.253 58.100 -0.166 0.000 1.293 145 Y CB -0.843 37.310 38.460 -0.511 0.000 0.977 145 Y HN 0.310 nan 8.280 nan 0.000 0.556 146 G N -1.965 106.736 108.800 -0.165 0.000 3.327 146 G HA2 0.071 4.031 3.960 0.000 0.000 0.240 146 G HA3 0.071 4.031 3.960 0.000 0.000 0.240 146 G C 1.383 176.229 174.900 -0.090 0.000 1.222 146 G CA 0.681 45.734 45.100 -0.079 0.000 0.871 146 G HN 0.347 nan 8.290 nan 0.000 0.525 147 S N -0.204 115.388 115.700 -0.180 0.000 2.583 147 S HA 0.275 4.745 4.470 0.000 0.000 0.203 147 S C 0.619 175.164 174.600 -0.091 0.000 0.952 147 S CA -0.594 57.493 58.200 -0.188 0.000 0.887 147 S CB -0.304 62.613 63.200 -0.472 0.000 0.857 147 S HN 0.131 nan 8.310 nan 0.000 0.611 148 F N 4.696 124.521 119.950 -0.208 0.000 2.623 148 F HA 0.202 4.729 4.527 0.000 0.000 0.383 148 F C 0.561 176.333 175.800 -0.046 0.000 1.077 148 F CA -0.093 57.841 58.000 -0.110 0.000 1.268 148 F CB 0.299 39.233 39.000 -0.109 0.000 1.053 148 F HN 0.213 nan 8.300 nan 0.000 0.571 149 K N 6.320 126.588 120.400 -0.220 0.000 2.524 149 K HA -0.074 4.246 4.320 0.000 0.000 0.279 149 K C -0.350 176.409 176.600 0.265 0.000 0.993 149 K CA 0.385 56.658 56.287 -0.024 0.000 1.030 149 K CB 0.042 32.438 32.500 -0.172 0.000 0.891 149 K HN 0.827 nan 8.250 nan 0.000 0.488 150 E N 0.066 120.361 120.200 0.158 0.000 5.234 150 E HA -0.196 4.154 4.350 0.000 0.000 0.170 150 E C -0.857 175.846 176.600 0.172 0.000 1.556 150 E CA 0.314 56.805 56.400 0.151 0.000 1.185 150 E CB -1.277 28.519 29.700 0.159 0.000 1.023 150 E HN 0.744 nan 8.360 nan 0.000 0.337 151 A N 3.384 126.283 122.820 0.132 0.000 2.445 151 A HA 0.171 4.491 4.320 0.000 0.000 0.242 151 A C 0.558 178.201 177.584 0.098 0.000 1.075 151 A CA 0.027 52.146 52.037 0.136 0.000 0.777 151 A CB 0.399 19.479 19.000 0.133 0.000 1.013 151 A HN 0.400 nan 8.150 nan 0.000 0.493 152 K N 3.208 123.669 120.400 0.101 0.000 2.758 152 K HA 0.240 4.560 4.320 0.000 0.000 0.250 152 K C 0.609 177.189 176.600 -0.033 0.000 1.268 152 K CA -0.092 56.214 56.287 0.031 0.000 1.228 152 K CB -0.198 32.333 32.500 0.051 0.000 1.715 152 K HN 0.702 nan 8.250 nan 0.000 0.334 153 I N 1.775 122.348 120.570 0.005 0.000 2.141 153 I HA -0.476 3.694 4.170 0.000 0.000 0.243 153 I C 2.631 178.690 176.117 -0.097 0.000 1.035 153 I CA 1.689 62.978 61.300 -0.018 0.000 1.302 153 I CB -0.449 37.541 38.000 -0.017 0.000 1.006 153 I HN 0.547 nan 8.210 nan 0.000 0.413 154 E N 1.768 121.914 120.200 -0.089 0.000 2.118 154 E HA -0.262 4.088 4.350 0.000 0.000 0.195 154 E C 1.677 178.185 176.600 -0.154 0.000 0.992 154 E CA 1.690 58.027 56.400 -0.104 0.000 0.804 154 E CB -0.610 29.048 29.700 -0.070 0.000 0.741 154 E HN 0.662 nan 8.360 nan 0.000 0.458 155 E N 0.197 120.275 120.200 -0.202 0.000 2.107 155 E HA -0.148 4.202 4.350 0.000 0.000 0.191 155 E C 2.207 178.412 176.600 -0.659 0.000 0.982 155 E CA 0.812 57.024 56.400 -0.314 0.000 0.809 155 E CB -0.399 29.162 29.700 -0.231 0.000 0.756 155 E HN 0.565 nan 8.360 nan 0.000 0.459 156 H N 0.351 118.867 119.070 -0.923 0.000 2.352 156 H HA -0.133 4.423 4.556 0.000 0.000 0.299 156 H C 1.843 176.916 175.328 -0.425 0.000 1.097 156 H CA 0.785 56.251 56.048 -0.970 0.000 1.311 156 H CB 0.301 29.793 29.762 -0.450 0.000 1.377 156 H HN 0.036 nan 8.280 nan 0.000 0.504 157 L N 0.616 121.683 121.223 -0.260 0.000 2.095 157 L HA 0.018 4.358 4.340 0.000 0.000 0.204 157 L C 2.935 179.720 176.870 -0.141 0.000 1.080 157 L CA 1.462 56.173 54.840 -0.216 0.000 0.759 157 L CB -1.111 40.834 42.059 -0.189 0.000 0.914 157 L HN 0.359 nan 8.230 nan 0.000 0.439 158 A N -0.235 122.496 122.820 -0.149 0.000 1.873 158 A HA -0.294 4.026 4.320 0.000 0.000 0.218 158 A C 2.487 180.032 177.584 -0.064 0.000 1.193 158 A CA 2.200 54.177 52.037 -0.099 0.000 0.629 158 A CB -0.556 18.385 19.000 -0.098 0.000 0.826 158 A HN 0.311 nan 8.150 nan 0.000 0.447 159 R N -0.269 120.184 120.500 -0.078 0.000 2.088 159 R HA -0.053 4.287 4.340 0.000 0.000 0.232 159 R C 2.015 178.339 176.300 0.039 0.000 1.136 159 R CA 1.906 58.025 56.100 0.032 0.000 0.926 159 R CB -1.012 29.401 30.300 0.189 0.000 0.837 159 R HN 0.471 nan 8.270 nan 0.000 0.429 160 L N 0.782 122.029 121.223 0.040 0.000 2.123 160 L HA -0.304 4.036 4.340 0.000 0.000 0.217 160 L C 2.669 179.532 176.870 -0.011 0.000 1.081 160 L CA 1.777 56.633 54.840 0.028 0.000 0.772 160 L CB -0.584 41.482 42.059 0.013 0.000 0.890 160 L HN 0.420 nan 8.230 nan 0.000 0.437 161 E N 0.084 120.269 120.200 -0.024 0.000 2.001 161 E HA -0.236 4.114 4.350 0.000 0.000 0.195 161 E C 2.226 178.819 176.600 -0.011 0.000 1.002 161 E CA 1.516 57.900 56.400 -0.026 0.000 0.819 161 E CB -0.182 29.497 29.700 -0.034 0.000 0.769 161 E HN 0.428 nan 8.360 nan 0.000 0.454 162 A N 0.910 123.732 122.820 0.002 0.000 1.948 162 A HA -0.185 4.135 4.320 0.000 0.000 0.220 162 A C 2.589 180.192 177.584 0.031 0.000 1.177 162 A CA 1.917 53.966 52.037 0.020 0.000 0.636 162 A CB -0.838 18.182 19.000 0.032 0.000 0.815 162 A HN 0.202 nan 8.150 nan 0.000 0.449 163 V N -0.314 119.617 119.914 0.029 0.000 2.220 163 V HA -0.284 3.836 4.120 0.000 0.000 0.246 163 V C 2.726 178.786 176.094 -0.057 0.000 1.049 163 V CA 2.610 64.912 62.300 0.003 0.000 1.003 163 V CB -1.600 30.198 31.823 -0.042 0.000 0.634 163 V HN 0.622 nan 8.190 nan 0.000 0.444 164 T N -0.203 114.313 114.554 -0.063 0.000 2.597 164 T HA -0.310 4.040 4.350 0.000 0.000 0.267 164 T C 1.890 176.571 174.700 -0.033 0.000 1.053 164 T CA 2.065 64.127 62.100 -0.062 0.000 1.165 164 T CB -0.352 68.489 68.868 -0.046 0.000 0.863 164 T HN 0.425 nan 8.240 nan 0.000 0.427 165 K N 0.641 121.032 120.400 -0.014 0.000 2.001 165 K HA -0.257 4.063 4.320 0.000 0.000 0.223 165 K C 2.459 179.067 176.600 0.013 0.000 1.055 165 K CA 2.081 58.367 56.287 -0.000 0.000 0.965 165 K CB -0.348 32.155 32.500 0.006 0.000 0.730 165 K HN 0.510 nan 8.250 nan 0.000 0.449 166 E N 0.880 121.099 120.200 0.031 0.000 2.114 166 E HA -0.244 4.106 4.350 0.000 0.000 0.199 166 E C 1.973 178.611 176.600 0.063 0.000 1.008 166 E CA 1.586 58.022 56.400 0.060 0.000 0.810 166 E CB -0.113 29.650 29.700 0.106 0.000 0.739 166 E HN 0.299 nan 8.360 nan 0.000 0.456 167 I N 1.311 121.902 120.570 0.035 0.000 2.142 167 I HA -0.265 3.905 4.170 0.000 0.000 0.240 167 I C 2.010 178.137 176.117 0.017 0.000 1.078 167 I CA 1.699 63.011 61.300 0.022 0.000 1.343 167 I CB -0.580 37.382 38.000 -0.064 0.000 1.046 167 I HN 0.259 nan 8.210 nan 0.000 0.405 168 E N 0.512 120.713 120.200 0.001 0.000 2.322 168 E HA -0.001 4.349 4.350 0.000 0.000 0.195 168 E C 0.578 177.185 176.600 0.011 0.000 1.198 168 E CA 0.379 56.780 56.400 0.002 0.000 1.132 168 E CB -0.184 29.511 29.700 -0.008 0.000 1.213 168 E HN 0.376 nan 8.360 nan 0.000 0.450 169 T N -0.789 113.778 114.554 0.021 0.000 3.029 169 T HA 0.025 4.375 4.350 0.000 0.000 0.256 169 T C 1.119 175.837 174.700 0.030 0.000 0.914 169 T CA 0.638 62.752 62.100 0.024 0.000 0.880 169 T CB 0.838 69.722 68.868 0.026 0.000 1.246 169 T HN 0.377 nan 8.240 nan 0.000 0.523 170 T N -1.449 113.128 114.554 0.039 0.000 3.252 170 T HA 0.547 4.897 4.350 0.000 0.000 0.295 170 T C 1.377 176.105 174.700 0.047 0.000 0.897 170 T CA 0.530 62.656 62.100 0.042 0.000 0.905 170 T CB 0.707 69.604 68.868 0.049 0.000 1.202 170 T HN 0.520 nan 8.240 nan 0.000 0.592 171 G N 2.416 111.244 108.800 0.047 0.000 4.315 171 G HA2 -0.264 3.696 3.960 0.000 0.000 0.280 171 G HA3 -0.264 3.696 3.960 0.000 0.000 0.280 171 G C 0.521 175.469 174.900 0.079 0.000 1.649 171 G CA 0.534 45.664 45.100 0.049 0.000 1.108 171 G HN 1.320 nan 8.290 nan 0.000 0.667 172 T N -0.104 114.507 114.554 0.094 0.000 2.698 172 T HA 0.583 4.933 4.350 0.000 0.000 0.295 172 T C 0.023 174.869 174.700 0.243 0.000 1.007 172 T CA 1.103 63.298 62.100 0.158 0.000 0.980 172 T CB 1.400 70.312 68.868 0.074 0.000 1.036 172 T HN 2.035 nan 8.240 nan 0.000 0.526 173 Y N -2.310 117.995 120.300 0.008 0.000 2.588 173 Y HA 0.687 5.237 4.550 0.000 0.000 0.343 173 Y C -0.953 174.965 175.900 0.031 0.000 1.065 173 Y CA -1.688 56.428 58.100 0.026 0.000 1.038 173 Y CB 0.957 39.443 38.460 0.042 0.000 1.297 173 Y HN 0.504 nan 8.280 nan 0.000 0.467 174 Q N 2.067 121.808 119.800 -0.098 0.000 2.214 174 Q HA 0.518 4.858 4.340 0.000 0.000 0.251 174 Q C -1.031 174.879 176.000 -0.151 0.000 0.936 174 Q CA -0.786 54.922 55.803 -0.158 0.000 0.894 174 Q CB 2.619 31.342 28.738 -0.025 0.000 1.252 174 Q HN 0.872 nan 8.270 nan 0.000 0.448 175 L N 0.853 122.017 121.223 -0.097 0.000 2.343 175 L HA 0.378 4.718 4.340 0.000 0.000 0.275 175 L C 0.758 177.661 176.870 0.056 0.000 1.056 175 L CA -0.551 54.300 54.840 0.018 0.000 0.804 175 L CB 1.316 43.429 42.059 0.089 0.000 1.203 175 L HN 0.656 nan 8.230 nan 0.000 0.440 176 T N -0.453 114.142 114.554 0.069 0.000 2.897 176 T HA 0.166 4.516 4.350 0.000 0.000 0.294 176 T C 1.001 175.747 174.700 0.077 0.000 1.004 176 T CA -0.701 61.428 62.100 0.049 0.000 1.106 176 T CB 1.005 69.878 68.868 0.008 0.000 0.949 176 T HN 0.498 nan 8.240 nan 0.000 0.520 177 L N 1.624 122.882 121.223 0.059 0.000 2.089 177 L HA -0.119 4.221 4.340 0.000 0.000 0.213 177 L C 2.163 179.094 176.870 0.101 0.000 1.079 177 L CA 2.004 56.880 54.840 0.060 0.000 0.758 177 L CB -0.882 41.198 42.059 0.035 0.000 0.891 177 L HN 0.909 nan 8.230 nan 0.000 0.433 178 D N -0.877 119.599 120.400 0.127 0.000 2.219 178 D HA -0.167 4.473 4.640 0.000 0.000 0.205 178 D C 1.849 178.361 176.300 0.354 0.000 0.970 178 D CA 0.961 55.077 54.000 0.193 0.000 0.851 178 D CB 0.261 41.178 40.800 0.195 0.000 0.943 178 D HN 0.606 nan 8.370 nan 0.000 0.488 179 E N 0.271 120.694 120.200 0.373 0.000 2.046 179 E HA -0.097 4.253 4.350 0.000 0.000 0.190 179 E C 2.383 179.277 176.600 0.490 0.000 0.982 179 E CA 0.177 56.912 56.400 0.558 0.000 0.800 179 E CB 0.036 29.969 29.700 0.389 0.000 0.756 179 E HN 0.240 nan 8.360 nan 0.000 0.449 180 L N 1.191 122.570 121.223 0.260 0.000 1.990 180 L HA -0.250 4.090 4.340 0.000 0.000 0.213 180 L C 2.476 179.415 176.870 0.115 0.000 1.072 180 L CA 1.328 56.237 54.840 0.114 0.000 0.755 180 L CB -0.307 41.749 42.059 -0.005 0.000 0.889 180 L HN 0.224 nan 8.230 nan 0.000 0.432 181 I N -1.133 119.512 120.570 0.126 0.000 2.194 181 I HA -0.389 3.781 4.170 0.000 0.000 0.246 181 I C 2.456 178.673 176.117 0.167 0.000 1.093 181 I CA 1.594 62.956 61.300 0.104 0.000 1.355 181 I CB -0.457 37.599 38.000 0.093 0.000 1.046 181 I HN 0.249 nan 8.210 nan 0.000 0.413 182 F N 1.824 121.841 119.950 0.111 0.000 2.084 182 F HA -0.180 4.347 4.527 0.000 0.000 0.296 182 F C 2.559 178.461 175.800 0.170 0.000 1.111 182 F CA 1.316 59.376 58.000 0.101 0.000 1.224 182 F CB -0.620 38.390 39.000 0.018 0.000 0.991 182 F HN 0.003 nan 8.300 nan 0.000 0.471 183 A N 0.172 123.143 122.820 0.253 0.000 1.884 183 A HA -0.346 3.974 4.320 0.000 0.000 0.219 183 A C 2.313 179.814 177.584 -0.138 0.000 1.197 183 A CA 3.465 55.539 52.037 0.062 0.000 0.637 183 A CB -1.817 17.208 19.000 0.042 0.000 0.827 183 A HN 0.585 nan 8.150 nan 0.000 0.450 184 T N -1.924 112.587 114.554 -0.072 0.000 2.746 184 T HA -0.174 4.176 4.350 0.000 0.000 0.267 184 T C 1.789 176.520 174.700 0.052 0.000 1.039 184 T CA 1.724 63.805 62.100 -0.032 0.000 1.142 184 T CB -0.380 68.506 68.868 0.031 0.000 0.866 184 T HN 0.579 nan 8.240 nan 0.000 0.444 185 K N -0.001 120.433 120.400 0.056 0.000 2.103 185 K HA 0.088 4.408 4.320 0.000 0.000 0.204 185 K C 2.494 179.085 176.600 -0.015 0.000 1.052 185 K CA 0.977 57.368 56.287 0.173 0.000 0.945 185 K CB -0.225 32.414 32.500 0.233 0.000 0.722 185 K HN 0.249 nan 8.250 nan 0.000 0.443 186 M N 0.909 120.348 119.600 -0.268 0.000 2.059 186 M HA -0.107 4.373 4.480 0.000 0.000 0.259 186 M C 2.489 178.620 176.300 -0.281 0.000 1.072 186 M CA 1.601 56.663 55.300 -0.397 0.000 1.117 186 M CB -1.320 30.949 32.600 -0.551 0.000 1.320 186 M HN 0.154 nan 8.290 nan 0.000 0.408 187 A N -0.117 122.516 122.820 -0.312 0.000 1.869 187 A HA -0.256 4.064 4.320 0.000 0.000 0.218 187 A C 2.029 179.450 177.584 -0.271 0.000 1.203 187 A CA 2.170 53.909 52.037 -0.495 0.000 0.638 187 A CB -1.573 16.753 19.000 -1.122 0.000 0.831 187 A HN 0.702 nan 8.150 nan 0.000 0.450 188 W N 0.855 122.029 121.300 -0.210 0.000 2.301 188 W HA -0.245 4.415 4.660 0.000 0.000 0.325 188 W C 2.328 178.748 176.519 -0.164 0.000 1.250 188 W CA 2.068 59.367 57.345 -0.078 0.000 1.261 188 W CB -1.064 28.354 29.460 -0.070 0.000 1.157 188 W HN 0.385 nan 8.180 nan 0.000 0.473 189 R N 0.310 120.697 120.500 -0.188 0.000 2.226 189 R HA -0.202 4.138 4.340 0.000 0.000 0.246 189 R C 1.127 177.272 176.300 -0.259 0.000 1.161 189 R CA 1.774 57.618 56.100 -0.427 0.000 0.997 189 R CB -0.526 29.383 30.300 -0.652 0.000 0.870 189 R HN 0.160 nan 8.270 nan 0.000 0.465 190 N N -0.260 118.331 118.700 -0.181 0.000 2.251 190 N HA 0.080 4.820 4.740 0.000 0.000 0.217 190 N C -0.935 174.498 175.510 -0.128 0.000 1.124 190 N CA 0.311 53.290 53.050 -0.118 0.000 0.843 190 N CB 1.348 39.819 38.487 -0.026 0.000 1.024 190 N HN 0.121 nan 8.380 nan 0.000 0.501 191 A N 2.296 125.032 122.820 -0.139 0.000 2.666 191 A HA 0.265 4.585 4.320 0.000 0.000 0.312 191 A C -0.988 176.533 177.584 -0.105 0.000 1.471 191 A CA -1.150 50.767 52.037 -0.201 0.000 1.134 191 A CB 0.394 19.318 19.000 -0.125 0.000 1.129 191 A HN -0.017 nan 8.150 nan 0.000 0.539 192 P HA -0.199 nan 4.420 nan 0.000 0.222 192 P C 0.866 178.117 177.300 -0.081 0.000 1.142 192 P CA 1.195 64.247 63.100 -0.079 0.000 0.788 192 P CB 0.204 31.851 31.700 -0.088 0.000 0.767 193 R N -1.757 118.664 120.500 -0.132 0.000 2.312 193 R HA 0.137 4.477 4.340 0.000 0.000 0.205 193 R C 0.858 177.159 176.300 0.001 0.000 0.904 193 R CA -0.223 55.823 56.100 -0.091 0.000 1.052 193 R CB -0.189 29.884 30.300 -0.378 0.000 1.014 193 R HN 0.183 nan 8.270 nan 0.000 0.503 194 C N 0.533 119.816 119.300 -0.029 0.000 2.452 194 C HA 0.312 4.772 4.460 0.000 0.000 0.379 194 C C 1.649 176.613 174.990 -0.043 0.000 1.275 194 C CA -0.571 58.451 59.018 0.006 0.000 2.056 194 C CB -0.100 27.699 27.740 0.098 0.000 2.506 194 C HN 0.544 nan 8.230 nan 0.000 0.560 195 I N 3.607 124.132 120.570 -0.074 0.000 4.057 195 I HA 0.267 4.437 4.170 0.000 0.000 0.334 195 I C 1.608 177.773 176.117 0.079 0.000 1.308 195 I CA 0.562 61.764 61.300 -0.163 0.000 1.125 195 I CB 0.097 37.975 38.000 -0.205 0.000 1.034 195 I HN 0.891 nan 8.210 nan 0.000 0.401 196 G N 0.145 108.997 108.800 0.087 0.000 3.605 196 G HA2 0.106 4.066 3.960 0.000 0.000 0.277 196 G HA3 0.106 4.066 3.960 0.000 0.000 0.277 196 G C 1.077 176.048 174.900 0.120 0.000 1.093 196 G CA -0.370 44.784 45.100 0.090 0.000 0.821 196 G HN 0.186 nan 8.290 nan 0.000 0.532 197 R N -0.154 120.383 120.500 0.062 0.000 2.377 197 R HA 0.092 4.432 4.340 0.000 0.000 0.207 197 R C 1.883 177.778 176.300 -0.675 0.000 1.075 197 R CA 0.241 56.132 56.100 -0.348 0.000 1.035 197 R CB -0.134 29.957 30.300 -0.349 0.000 0.857 197 R HN 0.452 nan 8.270 nan 0.000 0.475 198 I N 0.683 121.028 120.570 -0.375 0.000 3.001 198 I HA -0.193 3.977 4.170 0.000 0.000 0.268 198 I C 1.072 177.078 176.117 -0.185 0.000 1.267 198 I CA 1.043 62.209 61.300 -0.223 0.000 1.472 198 I CB 0.193 38.206 38.000 0.020 0.000 1.089 198 I HN 0.187 nan 8.210 nan 0.000 0.468 199 Q N 0.377 120.037 119.800 -0.233 0.000 2.280 199 Q HA -0.047 4.293 4.340 0.000 0.000 0.201 199 Q C 1.448 177.063 176.000 -0.641 0.000 0.890 199 Q CA 0.018 55.688 55.803 -0.221 0.000 0.947 199 Q CB -0.129 28.656 28.738 0.078 0.000 1.081 199 Q HN 0.762 nan 8.270 nan 0.000 0.502 200 W N 0.146 120.718 121.300 -1.215 0.000 2.401 200 W HA -0.149 4.511 4.660 0.000 0.000 0.264 200 W C 1.020 177.127 176.519 -0.686 0.000 1.209 200 W CA 1.004 57.326 57.345 -1.705 0.000 1.170 200 W CB -0.831 27.847 29.460 -1.305 0.000 1.134 200 W HN 0.044 nan 8.180 nan 0.000 0.587 201 S N 1.298 116.245 115.700 -1.255 0.000 2.441 201 S HA -0.015 4.455 4.470 0.000 0.000 0.224 201 S C 0.303 174.672 174.600 -0.385 0.000 1.043 201 S CA 0.075 57.672 58.200 -1.004 0.000 0.948 201 S CB -0.439 62.036 63.200 -1.209 0.000 0.810 201 S HN 0.251 nan 8.310 nan 0.000 0.504 202 N N 2.066 120.626 118.700 -0.234 0.000 2.555 202 N HA 0.458 5.198 4.740 0.000 0.000 0.244 202 N C -1.025 174.541 175.510 0.093 0.000 1.114 202 N CA -0.146 52.876 53.050 -0.046 0.000 0.963 202 N CB 1.122 39.611 38.487 0.003 0.000 1.276 202 N HN 0.236 nan 8.380 nan 0.000 0.510 203 L N 0.980 122.241 121.223 0.064 0.000 2.455 203 L HA 0.459 4.799 4.340 0.000 0.000 0.264 203 L C -1.153 175.676 176.870 -0.068 0.000 0.968 203 L CA -0.868 54.014 54.840 0.070 0.000 0.827 203 L CB 2.122 44.297 42.059 0.192 0.000 1.317 203 L HN 0.292 nan 8.230 nan 0.000 0.407 204 Q N 2.818 122.511 119.800 -0.179 0.000 2.256 204 Q HA 0.671 5.011 4.340 0.000 0.000 0.254 204 Q C -1.724 173.907 176.000 -0.614 0.000 0.916 204 Q CA -0.265 55.268 55.803 -0.450 0.000 0.932 204 Q CB 1.627 29.942 28.738 -0.705 0.000 1.207 204 Q HN 0.559 nan 8.270 nan 0.000 0.426 205 V N 5.423 124.994 119.914 -0.573 0.000 2.448 205 V HA 0.492 4.613 4.120 0.000 0.000 0.295 205 V C -1.004 174.800 176.094 -0.483 0.000 1.025 205 V CA -0.634 61.397 62.300 -0.447 0.000 0.859 205 V CB 0.976 32.681 31.823 -0.196 0.000 0.988 205 V HN 0.653 nan 8.190 nan 0.000 0.431 206 F N 2.304 122.137 119.950 -0.195 0.000 2.426 206 F HA 0.411 4.938 4.527 0.000 0.000 0.348 206 F C 0.411 176.102 175.800 -0.183 0.000 1.124 206 F CA -1.438 56.446 58.000 -0.193 0.000 1.008 206 F CB 1.268 40.144 39.000 -0.207 0.000 1.139 206 F HN 0.417 nan 8.300 nan 0.000 0.452 207 D N 3.037 123.462 120.400 0.043 0.000 2.352 207 D HA 0.399 5.039 4.640 0.000 0.000 0.245 207 D C 0.247 176.471 176.300 -0.127 0.000 1.224 207 D CA 0.296 54.260 54.000 -0.060 0.000 0.879 207 D CB 1.195 41.975 40.800 -0.032 0.000 1.057 207 D HN 0.655 nan 8.370 nan 0.000 0.491 208 A N 4.484 127.118 122.820 -0.310 0.000 2.564 208 A HA 0.118 4.438 4.320 0.000 0.000 0.279 208 A C 1.759 179.072 177.584 -0.452 0.000 1.232 208 A CA -0.323 51.368 52.037 -0.577 0.000 0.950 208 A CB 0.152 18.356 19.000 -1.326 0.000 1.138 208 A HN 0.516 nan 8.150 nan 0.000 0.526 209 R N 0.927 121.278 120.500 -0.248 0.000 2.261 209 R HA -0.182 4.158 4.340 0.000 0.000 0.236 209 R C 0.509 176.720 176.300 -0.148 0.000 1.141 209 R CA 1.580 57.590 56.100 -0.150 0.000 1.001 209 R CB -0.224 30.050 30.300 -0.043 0.000 0.866 209 R HN 0.763 nan 8.270 nan 0.000 0.468 210 N N -0.909 117.712 118.700 -0.132 0.000 2.273 210 N HA 0.017 4.757 4.740 0.000 0.000 0.231 210 N C -0.132 175.346 175.510 -0.054 0.000 1.134 210 N CA -0.377 52.630 53.050 -0.071 0.000 0.856 210 N CB -0.027 38.444 38.487 -0.028 0.000 1.068 210 N HN 0.030 nan 8.380 nan 0.000 0.510 211 C N -0.212 119.011 119.300 -0.129 0.000 2.656 211 C HA 0.452 4.912 4.460 0.000 0.000 0.391 211 C C 1.419 176.494 174.990 0.142 0.000 1.300 211 C CA 0.006 59.016 59.018 -0.013 0.000 2.302 211 C CB 0.215 27.919 27.740 -0.059 0.000 2.655 211 C HN 0.643 nan 8.230 nan 0.000 0.656 212 S N 0.467 116.319 115.700 0.253 0.000 3.056 212 S HA 0.187 4.657 4.470 0.000 0.000 0.255 212 S C 0.416 175.199 174.600 0.306 0.000 1.079 212 S CA 0.495 58.870 58.200 0.292 0.000 0.810 212 S CB 0.073 63.372 63.200 0.164 0.000 0.810 212 S HN 0.989 nan 8.310 nan 0.000 0.477 213 T N -0.534 114.162 114.554 0.236 0.000 2.940 213 T HA 0.826 5.176 4.350 0.000 0.000 0.288 213 T C 1.234 176.039 174.700 0.174 0.000 1.045 213 T CA -0.173 62.024 62.100 0.161 0.000 1.018 213 T CB 1.523 70.464 68.868 0.121 0.000 1.151 213 T HN 0.099 nan 8.240 nan 0.000 0.529 214 A N 0.458 123.352 122.820 0.123 0.000 1.873 214 A HA -0.160 4.160 4.320 0.000 0.000 0.218 214 A C 2.323 179.938 177.584 0.052 0.000 1.193 214 A CA 2.356 54.479 52.037 0.145 0.000 0.629 214 A CB -1.464 17.698 19.000 0.270 0.000 0.826 214 A HN 0.900 nan 8.150 nan 0.000 0.447 215 Q N -0.143 119.721 119.800 0.106 0.000 2.248 215 Q HA -0.197 4.144 4.340 0.000 0.000 0.208 215 Q C 1.745 177.785 176.000 0.068 0.000 0.984 215 Q CA 2.240 58.054 55.803 0.017 0.000 0.875 215 Q CB -0.324 28.498 28.738 0.141 0.000 0.910 215 Q HN 0.789 nan 8.270 nan 0.000 0.433 216 E N -1.215 119.073 120.200 0.147 0.000 2.230 216 E HA -0.060 4.290 4.350 0.000 0.000 0.192 216 E C 1.840 178.662 176.600 0.371 0.000 0.987 216 E CA 0.696 57.234 56.400 0.230 0.000 0.841 216 E CB 0.021 29.872 29.700 0.253 0.000 0.783 216 E HN 0.454 nan 8.360 nan 0.000 0.481 217 M N -0.012 119.789 119.600 0.336 0.000 2.062 217 M HA -0.123 4.357 4.480 0.000 0.000 0.259 217 M C 2.175 178.642 176.300 0.277 0.000 1.076 217 M CA 1.244 56.827 55.300 0.472 0.000 1.122 217 M CB -0.458 32.259 32.600 0.195 0.000 1.312 217 M HN 0.135 nan 8.290 nan 0.000 0.412 218 F N 1.477 121.329 119.950 -0.164 0.000 2.214 218 F HA -0.312 4.215 4.527 0.000 0.000 0.302 218 F C 2.263 177.982 175.800 -0.135 0.000 1.063 218 F CA 1.856 59.662 58.000 -0.323 0.000 1.319 218 F CB -0.320 38.093 39.000 -0.978 0.000 1.046 218 F HN 0.232 nan 8.300 nan 0.000 0.505 219 Q N -1.393 118.335 119.800 -0.121 0.000 2.062 219 Q HA -0.160 4.180 4.340 0.000 0.000 0.196 219 Q C 2.037 177.920 176.000 -0.196 0.000 0.967 219 Q CA 1.662 57.341 55.803 -0.208 0.000 0.832 219 Q CB -0.279 28.391 28.738 -0.114 0.000 0.899 219 Q HN 0.528 nan 8.270 nan 0.000 0.442 220 H N 0.181 119.189 119.070 -0.103 0.000 2.387 220 H HA -0.082 4.474 4.556 0.000 0.000 0.299 220 H C 1.840 177.137 175.328 -0.052 0.000 1.090 220 H CA 1.397 57.371 56.048 -0.122 0.000 1.332 220 H CB -0.014 29.659 29.762 -0.148 0.000 1.386 220 H HN 0.194 nan 8.280 nan 0.000 0.516 221 I N -0.544 120.103 120.570 0.128 0.000 2.226 221 I HA -0.322 3.848 4.170 0.000 0.000 0.245 221 I C 2.016 178.090 176.117 -0.071 0.000 1.100 221 I CA 0.856 62.187 61.300 0.051 0.000 1.374 221 I CB -0.299 37.700 38.000 -0.002 0.000 1.057 221 I HN 0.384 nan 8.210 nan 0.000 0.413 222 C N 0.343 119.501 119.300 -0.237 0.000 2.453 222 C HA -0.139 4.321 4.460 0.000 0.000 0.277 222 C C 2.987 177.904 174.990 -0.122 0.000 1.262 222 C CA 0.734 59.607 59.018 -0.242 0.000 1.718 222 C CB -1.130 26.375 27.740 -0.391 0.000 2.031 222 C HN 0.481 nan 8.230 nan 0.000 0.480 223 R N 0.338 120.745 120.500 -0.155 0.000 2.094 223 R HA -0.241 4.099 4.340 0.000 0.000 0.239 223 R C 2.152 178.418 176.300 -0.056 0.000 1.137 223 R CA 2.420 58.412 56.100 -0.180 0.000 0.943 223 R CB -0.890 29.197 30.300 -0.356 0.000 0.850 223 R HN 0.760 nan 8.270 nan 0.000 0.433 224 H N -0.015 118.994 119.070 -0.102 0.000 2.251 224 H HA -0.152 4.404 4.556 0.000 0.000 0.294 224 H C 2.275 177.702 175.328 0.165 0.000 1.078 224 H CA 2.562 58.686 56.048 0.126 0.000 1.246 224 H CB -0.187 29.672 29.762 0.161 0.000 1.358 224 H HN 0.234 nan 8.280 nan 0.000 0.488 225 I N 0.007 120.743 120.570 0.277 0.000 2.143 225 I HA -0.317 3.853 4.170 0.000 0.000 0.245 225 I C 2.526 178.731 176.117 0.147 0.000 1.068 225 I CA 1.169 62.561 61.300 0.152 0.000 1.326 225 I CB -0.315 37.695 38.000 0.016 0.000 1.028 225 I HN 0.350 nan 8.210 nan 0.000 0.412 226 L N 0.112 121.399 121.223 0.107 0.000 2.046 226 L HA -0.267 4.073 4.340 0.000 0.000 0.208 226 L C 2.477 179.421 176.870 0.123 0.000 1.077 226 L CA 1.881 56.768 54.840 0.077 0.000 0.747 226 L CB -0.925 41.152 42.059 0.030 0.000 0.896 226 L HN 0.261 nan 8.230 nan 0.000 0.432 227 Y N -0.026 120.324 120.300 0.083 0.000 2.145 227 Y HA -0.179 4.371 4.550 0.000 0.000 0.286 227 Y C 2.325 178.302 175.900 0.128 0.000 1.145 227 Y CA 1.963 60.135 58.100 0.120 0.000 1.148 227 Y CB -0.447 38.151 38.460 0.231 0.000 0.981 227 Y HN 0.216 nan 8.280 nan 0.000 0.507 228 A N -1.126 121.833 122.820 0.231 0.000 2.014 228 A HA -0.087 4.233 4.320 0.000 0.000 0.218 228 A C 2.152 179.766 177.584 0.050 0.000 1.163 228 A CA 1.832 53.948 52.037 0.132 0.000 0.652 228 A CB -1.095 18.097 19.000 0.320 0.000 0.808 228 A HN 0.494 nan 8.150 nan 0.000 0.449 229 T N 0.117 114.709 114.554 0.065 0.000 2.904 229 T HA -0.090 4.260 4.350 0.000 0.000 0.267 229 T C 1.147 175.846 174.700 -0.001 0.000 1.059 229 T CA 1.026 63.158 62.100 0.053 0.000 1.137 229 T CB -0.426 68.477 68.868 0.058 0.000 0.879 229 T HN 0.629 nan 8.240 nan 0.000 0.467 230 N N 2.288 120.953 118.700 -0.057 0.000 2.693 230 N HA -0.290 4.450 4.740 0.000 0.000 0.255 230 N C 0.060 175.543 175.510 -0.045 0.000 0.975 230 N CA 0.857 53.853 53.050 -0.089 0.000 0.792 230 N CB -2.058 36.328 38.487 -0.169 0.000 0.931 230 N HN 0.640 nan 8.380 nan 0.000 0.541 231 N N -1.920 116.768 118.700 -0.020 0.000 2.740 231 N HA -0.243 4.497 4.740 0.000 0.000 0.248 231 N C 0.899 176.403 175.510 -0.010 0.000 1.062 231 N CA 0.995 54.038 53.050 -0.013 0.000 0.704 231 N CB -1.223 37.253 38.487 -0.018 0.000 0.968 231 N HN 0.946 nan 8.380 nan 0.000 0.547 232 G N 0.333 109.136 108.800 0.005 0.000 2.308 232 G HA2 -0.328 3.632 3.960 0.000 0.000 0.221 232 G HA3 -0.328 3.632 3.960 0.000 0.000 0.221 232 G C 0.008 174.909 174.900 0.003 0.000 1.032 232 G CA 0.290 45.399 45.100 0.015 0.000 0.623 232 G HN 0.586 nan 8.290 nan 0.000 0.506 233 N N 1.953 120.637 118.700 -0.027 0.000 3.178 233 N HA 0.317 5.057 4.740 0.000 0.000 0.300 233 N C 0.690 176.174 175.510 -0.043 0.000 1.242 233 N CA -0.703 52.314 53.050 -0.055 0.000 1.192 233 N CB -0.228 38.221 38.487 -0.063 0.000 1.463 233 N HN 0.251 nan 8.380 nan 0.000 0.539 234 I N 1.890 122.462 120.570 0.004 0.000 3.017 234 I HA -0.152 4.018 4.170 0.000 0.000 0.310 234 I C 0.803 177.008 176.117 0.147 0.000 1.220 234 I CA 1.180 62.541 61.300 0.101 0.000 1.450 234 I CB -0.102 38.038 38.000 0.233 0.000 1.317 234 I HN 0.408 nan 8.210 nan 0.000 0.570 235 R N 3.638 124.217 120.500 0.131 0.000 2.575 235 R HA 0.366 4.706 4.340 0.000 0.000 0.293 235 R C -0.559 175.860 176.300 0.199 0.000 0.983 235 R CA -0.647 55.538 56.100 0.142 0.000 0.887 235 R CB 1.974 32.205 30.300 -0.115 0.000 1.184 235 R HN 0.560 nan 8.270 nan 0.000 0.445 236 S N 1.525 117.329 115.700 0.174 0.000 2.531 236 S HA 0.523 4.994 4.470 0.000 0.000 0.279 236 S C -0.348 174.268 174.600 0.027 0.000 1.305 236 S CA -0.232 57.976 58.200 0.013 0.000 1.058 236 S CB 1.272 64.384 63.200 -0.147 0.000 0.899 236 S HN 0.690 nan 8.310 nan 0.000 0.493 237 A N 2.935 125.743 122.820 -0.019 0.000 2.609 237 A HA 0.858 5.178 4.320 0.000 0.000 0.291 237 A C -1.344 176.179 177.584 -0.102 0.000 1.096 237 A CA -0.656 51.263 52.037 -0.196 0.000 0.684 237 A CB 1.206 20.000 19.000 -0.343 0.000 1.282 237 A HN 0.782 nan 8.150 nan 0.000 0.412 238 I N 0.182 120.617 120.570 -0.226 0.000 2.692 238 I HA 0.616 4.786 4.170 0.000 0.000 0.293 238 I C -0.918 175.208 176.117 0.015 0.000 1.200 238 I CA -0.070 61.274 61.300 0.074 0.000 1.036 238 I CB 2.422 40.448 38.000 0.044 0.000 1.258 238 I HN 0.685 nan 8.210 nan 0.000 0.421 239 T N 6.865 121.582 114.554 0.271 0.000 2.977 239 T HA 0.440 4.790 4.350 0.000 0.000 0.346 239 T C -0.783 173.976 174.700 0.098 0.000 1.140 239 T CA -0.369 61.866 62.100 0.226 0.000 1.040 239 T CB 0.157 69.288 68.868 0.438 0.000 1.046 239 T HN 0.277 nan 8.240 nan 0.000 0.494 240 V N 7.134 127.017 119.914 -0.052 0.000 2.446 240 V HA 0.323 4.443 4.120 0.000 0.000 0.276 240 V C 0.319 176.299 176.094 -0.190 0.000 1.030 240 V CA -0.158 62.069 62.300 -0.121 0.000 1.033 240 V CB -0.837 30.798 31.823 -0.313 0.000 0.993 240 V HN 0.709 nan 8.190 nan 0.000 0.477 241 F N 5.496 125.388 119.950 -0.097 0.000 2.294 241 F HA 0.471 4.998 4.527 0.000 0.000 0.319 241 F C -1.777 173.934 175.800 -0.148 0.000 1.107 241 F CA -2.243 55.656 58.000 -0.168 0.000 1.094 241 F CB 0.214 39.135 39.000 -0.132 0.000 1.508 241 F HN 0.299 nan 8.300 nan 0.000 0.506 242 P HA 0.010 nan 4.420 nan 0.000 0.263 242 P C -1.044 176.248 177.300 -0.012 0.000 1.195 242 P CA -0.015 62.904 63.100 -0.301 0.000 0.762 242 P CB 0.112 31.223 31.700 -0.982 0.000 0.799 243 Q N 3.567 123.397 119.800 0.049 0.000 2.841 243 Q HA 0.066 4.406 4.340 0.000 0.000 0.198 243 Q C 0.137 176.064 176.000 -0.122 0.000 1.135 243 Q CA -0.367 55.292 55.803 -0.239 0.000 1.167 243 Q CB 0.498 28.814 28.738 -0.702 0.000 1.288 243 Q HN 0.317 nan 8.270 nan 0.000 0.670 244 R N 0.264 120.651 120.500 -0.189 0.000 2.312 244 R HA 0.173 4.513 4.340 0.000 0.000 0.311 244 R C 0.072 176.348 176.300 -0.039 0.000 1.004 244 R CA 0.372 56.444 56.100 -0.046 0.000 0.902 244 R CB 1.008 31.278 30.300 -0.049 0.000 1.073 244 R HN 0.898 nan 8.270 nan 0.000 0.457 245 S N 3.162 118.888 115.700 0.044 0.000 2.440 245 S HA -0.061 4.409 4.470 0.000 0.000 0.194 245 S C 1.031 175.661 174.600 0.049 0.000 0.952 245 S CA 0.588 58.822 58.200 0.056 0.000 0.898 245 S CB -0.204 63.071 63.200 0.125 0.000 0.875 245 S HN 0.829 nan 8.310 nan 0.000 0.581 246 D N 0.005 120.447 120.400 0.069 0.000 2.414 246 D HA 0.288 4.928 4.640 0.000 0.000 0.237 246 D C 1.540 177.832 176.300 -0.013 0.000 0.975 246 D CA 1.224 55.238 54.000 0.023 0.000 0.917 246 D CB -0.250 40.558 40.800 0.013 0.000 1.061 246 D HN 0.756 nan 8.370 nan 0.000 0.480 247 G N 0.424 109.206 108.800 -0.031 0.000 2.902 247 G HA2 -0.171 3.789 3.960 0.000 0.000 0.215 247 G HA3 -0.171 3.789 3.960 0.000 0.000 0.215 247 G C 0.952 175.805 174.900 -0.077 0.000 0.976 247 G CA 0.217 45.295 45.100 -0.037 0.000 0.794 247 G HN 0.298 nan 8.290 nan 0.000 0.557 248 K N 0.999 121.278 120.400 -0.201 0.000 2.358 248 K HA 0.315 4.635 4.320 0.000 0.000 0.200 248 K C 0.505 176.897 176.600 -0.346 0.000 1.030 248 K CA 0.039 56.151 56.287 -0.291 0.000 1.097 248 K CB 0.028 32.292 32.500 -0.393 0.000 0.862 248 K HN 0.368 nan 8.250 nan 0.000 0.534 249 H N 0.554 119.655 119.070 0.052 0.000 2.534 249 H HA 0.269 4.825 4.556 0.000 0.000 0.250 249 H C -0.894 174.512 175.328 0.129 0.000 1.256 249 H CA -0.631 55.458 56.048 0.067 0.000 1.000 249 H CB 0.049 29.870 29.762 0.098 0.000 1.801 249 H HN 0.068 nan 8.280 nan 0.000 0.569 250 D N 0.492 120.986 120.400 0.157 0.000 2.304 250 D HA 0.127 4.767 4.640 0.000 0.000 0.247 250 D C 0.004 176.396 176.300 0.154 0.000 1.089 250 D CA 0.049 54.166 54.000 0.195 0.000 0.910 250 D CB 1.131 41.995 40.800 0.107 0.000 1.199 250 D HN 0.038 nan 8.370 nan 0.000 0.426 251 F N 1.892 121.880 119.950 0.064 0.000 2.411 251 F HA 0.375 4.902 4.527 0.000 0.000 0.352 251 F C 0.751 176.548 175.800 -0.005 0.000 1.123 251 F CA -0.506 57.509 58.000 0.026 0.000 1.044 251 F CB 1.010 40.034 39.000 0.039 0.000 1.135 251 F HN -0.153 nan 8.300 nan 0.000 0.461 252 R N 3.584 124.149 120.500 0.107 0.000 2.673 252 R HA 0.536 4.876 4.340 0.000 0.000 0.281 252 R C -1.693 174.699 176.300 0.154 0.000 0.991 252 R CA -1.147 55.023 56.100 0.118 0.000 0.896 252 R CB 2.364 32.752 30.300 0.146 0.000 1.201 252 R HN 0.464 nan 8.270 nan 0.000 0.457 253 L N 1.765 123.041 121.223 0.087 0.000 2.275 253 L HA 0.329 4.669 4.340 0.000 0.000 0.288 253 L C 0.797 177.835 176.870 0.280 0.000 1.046 253 L CA -0.081 54.825 54.840 0.110 0.000 0.805 253 L CB 0.690 42.726 42.059 -0.038 0.000 1.193 253 L HN 0.581 nan 8.230 nan 0.000 0.426 254 W N 0.744 122.093 121.300 0.081 0.000 2.518 254 W HA 0.038 4.698 4.660 0.000 0.000 0.273 254 W C 0.812 177.519 176.519 0.314 0.000 1.247 254 W CA -0.292 57.206 57.345 0.255 0.000 1.288 254 W CB -0.711 28.972 29.460 0.372 0.000 1.107 254 W HN 0.510 nan 8.180 nan 0.000 0.586 255 N N -0.220 118.656 118.700 0.292 0.000 2.371 255 N HA 0.010 4.750 4.740 0.000 0.000 0.243 255 N C 1.401 176.745 175.510 -0.277 0.000 1.287 255 N CA 0.932 53.804 53.050 -0.298 0.000 0.911 255 N CB 0.453 38.822 38.487 -0.197 0.000 1.142 255 N HN -0.122 nan 8.380 nan 0.000 0.451 256 S N -0.645 114.811 115.700 -0.406 0.000 2.406 256 S HA -0.058 4.412 4.470 0.000 0.000 0.224 256 S C 0.198 174.661 174.600 -0.229 0.000 1.030 256 S CA 0.347 58.409 58.200 -0.231 0.000 0.958 256 S CB -0.345 62.754 63.200 -0.168 0.000 0.811 256 S HN 0.752 nan 8.310 nan 0.000 0.489 257 Q N -0.827 118.821 119.800 -0.254 0.000 2.377 257 Q HA 0.537 4.877 4.340 0.000 0.000 0.279 257 Q C -0.264 175.580 176.000 -0.261 0.000 1.049 257 Q CA -1.015 54.638 55.803 -0.250 0.000 0.825 257 Q CB 0.963 29.586 28.738 -0.192 0.000 1.401 257 Q HN -0.052 nan 8.270 nan 0.000 0.404 258 L N 0.898 121.961 121.223 -0.266 0.000 1.991 258 L HA -0.086 4.255 4.340 0.000 0.000 0.221 258 L C 0.783 177.486 176.870 -0.277 0.000 1.079 258 L CA 1.987 56.679 54.840 -0.245 0.000 0.778 258 L CB -0.412 41.492 42.059 -0.257 0.000 0.893 258 L HN 0.684 nan 8.230 nan 0.000 0.437 259 I N -1.136 119.199 120.570 -0.392 0.000 2.389 259 I HA 0.405 4.575 4.170 0.000 0.000 0.288 259 I C -0.244 175.303 176.117 -0.950 0.000 0.999 259 I CA -0.600 60.315 61.300 -0.641 0.000 1.129 259 I CB 1.605 39.157 38.000 -0.746 0.000 1.288 259 I HN 0.044 nan 8.210 nan 0.000 0.444 260 R N 5.416 125.463 120.500 -0.755 0.000 2.561 260 R HA 0.418 4.758 4.340 0.000 0.000 0.266 260 R C -1.804 174.292 176.300 -0.340 0.000 1.091 260 R CA -0.717 55.042 56.100 -0.569 0.000 0.927 260 R CB 0.896 31.033 30.300 -0.272 0.000 1.240 260 R HN 0.280 nan 8.270 nan 0.000 0.449 261 Y N 1.455 121.709 120.300 -0.077 0.000 2.357 261 Y HA 0.570 5.120 4.550 0.000 0.000 0.340 261 Y C 0.930 176.829 175.900 -0.001 0.000 1.260 261 Y CA 0.080 58.194 58.100 0.022 0.000 1.425 261 Y CB 0.854 39.423 38.460 0.182 0.000 1.326 261 Y HN 0.707 nan 8.280 nan 0.000 0.580 262 A N 0.559 123.465 122.820 0.144 0.000 2.303 262 A HA 0.728 5.048 4.320 0.000 0.000 0.317 262 A C 0.173 177.520 177.584 -0.395 0.000 1.149 262 A CA -0.090 51.878 52.037 -0.115 0.000 0.822 262 A CB 0.279 19.213 19.000 -0.111 0.000 1.131 262 A HN 0.888 nan 8.150 nan 0.000 0.493 263 G N 0.856 109.418 108.800 -0.396 0.000 2.574 263 G HA2 0.562 4.522 3.960 0.000 0.000 0.306 263 G HA3 0.562 4.522 3.960 0.000 0.000 0.306 263 G C -1.023 173.673 174.900 -0.340 0.000 1.334 263 G CA -0.263 44.611 45.100 -0.376 0.000 0.954 263 G HN 0.545 nan 8.290 nan 0.000 0.500 264 Y N 0.517 120.887 120.300 0.117 0.000 2.361 264 Y HA 0.392 4.942 4.550 0.000 0.000 0.332 264 Y C 0.992 176.954 175.900 0.105 0.000 1.101 264 Y CA -0.913 57.281 58.100 0.157 0.000 1.137 264 Y CB 2.084 40.719 38.460 0.292 0.000 1.207 264 Y HN 0.472 nan 8.280 nan 0.000 0.463 265 Q N 4.343 124.280 119.800 0.228 0.000 3.122 265 Q HA 0.221 4.561 4.340 0.000 0.000 0.360 265 Q C -0.374 175.691 176.000 0.108 0.000 1.300 265 Q CA -0.315 55.566 55.803 0.130 0.000 0.982 265 Q CB -0.060 28.732 28.738 0.090 0.000 1.534 265 Q HN 0.744 nan 8.270 nan 0.000 0.474 266 M N 1.747 121.418 119.600 0.119 0.000 2.178 266 M HA -0.154 4.326 4.480 0.000 0.000 0.298 266 M C -1.109 175.192 176.300 0.001 0.000 0.973 266 M CA -0.167 55.155 55.300 0.036 0.000 1.044 266 M CB -0.223 32.395 32.600 0.029 0.000 1.396 266 M HN 0.315 nan 8.290 nan 0.000 0.420 267 P HA -0.252 nan 4.420 nan 0.000 0.209 267 P C 0.419 177.707 177.300 -0.019 0.000 1.167 267 P CA 2.066 65.144 63.100 -0.036 0.000 0.941 267 P CB -0.635 31.029 31.700 -0.061 0.000 0.787 268 D N -1.023 119.366 120.400 -0.019 0.000 2.436 268 D HA -0.104 4.536 4.640 0.000 0.000 0.233 268 D C 1.461 177.761 176.300 -0.000 0.000 1.028 268 D CA 1.305 55.299 54.000 -0.010 0.000 0.988 268 D CB -1.124 39.671 40.800 -0.010 0.000 0.864 268 D HN 0.521 nan 8.370 nan 0.000 0.520 269 G N 0.378 109.180 108.800 0.004 0.000 2.253 269 G HA2 -0.356 3.604 3.960 0.000 0.000 0.251 269 G HA3 -0.356 3.604 3.960 0.000 0.000 0.251 269 G C 0.744 175.655 174.900 0.018 0.000 0.998 269 G CA 0.781 45.888 45.100 0.011 0.000 0.621 269 G HN 0.727 nan 8.290 nan 0.000 0.524 270 T N -0.946 113.619 114.554 0.018 0.000 2.750 270 T HA 0.628 4.978 4.350 0.000 0.000 0.351 270 T C 0.474 175.194 174.700 0.033 0.000 1.082 270 T CA 0.470 62.584 62.100 0.023 0.000 1.022 270 T CB 1.224 70.104 68.868 0.020 0.000 1.249 270 T HN 0.867 nan 8.240 nan 0.000 0.520 271 I N 0.151 120.741 120.570 0.032 0.000 2.667 271 I HA 0.368 4.538 4.170 0.000 0.000 0.288 271 I C -0.200 175.926 176.117 0.016 0.000 1.267 271 I CA -0.773 60.550 61.300 0.038 0.000 1.055 271 I CB 2.275 40.289 38.000 0.023 0.000 1.294 271 I HN 0.582 nan 8.210 nan 0.000 0.429 272 R N 2.780 123.315 120.500 0.057 0.000 2.720 272 R HA 0.802 5.142 4.340 0.000 0.000 0.272 272 R C 0.617 176.874 176.300 -0.073 0.000 0.991 272 R CA 0.293 56.406 56.100 0.022 0.000 1.010 272 R CB 1.820 32.199 30.300 0.130 0.000 1.141 272 R HN 0.885 nan 8.270 nan 0.000 0.494 273 G N 1.251 109.925 108.800 -0.210 0.000 2.552 273 G HA2 -0.276 3.684 3.960 0.000 0.000 0.267 273 G HA3 -0.276 3.684 3.960 0.000 0.000 0.267 273 G C -0.854 173.673 174.900 -0.623 0.000 1.174 273 G CA 0.240 45.147 45.100 -0.322 0.000 0.955 273 G HN 0.588 nan 8.290 nan 0.000 0.546 274 D N 1.616 121.848 120.400 -0.279 0.000 2.460 274 D HA 0.662 5.302 4.640 0.000 0.000 0.232 274 D C 1.348 177.624 176.300 -0.040 0.000 1.079 274 D CA 0.637 54.565 54.000 -0.120 0.000 0.864 274 D CB 0.817 41.764 40.800 0.245 0.000 1.048 274 D HN 0.861 nan 8.370 nan 0.000 0.523 275 A N 3.588 126.381 122.820 -0.044 0.000 2.032 275 A HA -0.123 4.197 4.320 0.000 0.000 0.221 275 A C 2.039 179.672 177.584 0.082 0.000 1.165 275 A CA 1.975 54.024 52.037 0.021 0.000 0.645 275 A CB -0.238 18.784 19.000 0.037 0.000 0.807 275 A HN 0.609 nan 8.150 nan 0.000 0.453 276 A N 0.015 122.913 122.820 0.129 0.000 1.834 276 A HA -0.152 4.168 4.320 0.000 0.000 0.216 276 A C 2.532 180.205 177.584 0.148 0.000 1.203 276 A CA 2.979 55.117 52.037 0.169 0.000 0.621 276 A CB -1.697 17.428 19.000 0.208 0.000 0.841 276 A HN 0.925 nan 8.150 nan 0.000 0.446 277 T N -1.322 113.310 114.554 0.130 0.000 2.685 277 T HA -0.253 4.097 4.350 0.000 0.000 0.268 277 T C 1.675 176.447 174.700 0.119 0.000 1.034 277 T CA 1.573 63.746 62.100 0.123 0.000 1.149 277 T CB -1.008 67.919 68.868 0.098 0.000 0.860 277 T HN 0.381 nan 8.240 nan 0.000 0.449 278 L N 0.770 122.034 121.223 0.068 0.000 2.500 278 L HA -0.471 3.869 4.340 0.000 0.000 0.237 278 L C 2.607 179.512 176.870 0.058 0.000 1.254 278 L CA 2.712 57.585 54.840 0.055 0.000 0.793 278 L CB -1.178 40.917 42.059 0.061 0.000 1.065 278 L HN 0.521 nan 8.230 nan 0.000 0.408 279 E N -0.709 119.529 120.200 0.063 0.000 2.035 279 E HA -0.310 4.040 4.350 0.000 0.000 0.204 279 E C 2.027 178.590 176.600 -0.062 0.000 1.025 279 E CA 2.280 58.682 56.400 0.004 0.000 0.835 279 E CB -0.352 29.367 29.700 0.032 0.000 0.764 279 E HN 0.397 nan 8.360 nan 0.000 0.457 280 F N 1.418 121.264 119.950 -0.174 0.000 2.120 280 F HA -0.227 4.300 4.527 0.000 0.000 0.300 280 F C 2.370 178.093 175.800 -0.129 0.000 1.095 280 F CA 2.216 60.083 58.000 -0.221 0.000 1.249 280 F CB -0.637 38.303 39.000 -0.100 0.000 0.995 280 F HN 0.060 nan 8.300 nan 0.000 0.480 281 T N -0.399 114.196 114.554 0.069 0.000 2.822 281 T HA -0.295 4.055 4.350 0.000 0.000 0.270 281 T C 1.669 176.368 174.700 -0.003 0.000 1.064 281 T CA 1.580 63.691 62.100 0.018 0.000 1.131 281 T CB -0.334 68.551 68.868 0.029 0.000 0.858 281 T HN 0.313 nan 8.240 nan 0.000 0.483 282 Q N 0.691 120.464 119.800 -0.045 0.000 2.020 282 Q HA 0.039 4.379 4.340 0.000 0.000 0.198 282 Q C 2.135 178.065 176.000 -0.116 0.000 0.974 282 Q CA 0.966 56.748 55.803 -0.035 0.000 0.829 282 Q CB -0.741 27.970 28.738 -0.045 0.000 0.894 282 Q HN 0.382 nan 8.270 nan 0.000 0.433 283 L N 0.020 121.092 121.223 -0.253 0.000 2.129 283 L HA -0.217 4.123 4.340 0.000 0.000 0.212 283 L C 2.038 178.754 176.870 -0.257 0.000 1.087 283 L CA 1.787 56.455 54.840 -0.287 0.000 0.757 283 L CB -0.868 40.924 42.059 -0.445 0.000 0.896 283 L HN 0.438 nan 8.230 nan 0.000 0.434 284 C N -0.873 118.228 119.300 -0.330 0.000 2.432 284 C HA -0.064 4.396 4.460 0.000 0.000 0.280 284 C C 2.629 177.649 174.990 0.049 0.000 1.353 284 C CA 0.196 59.087 59.018 -0.211 0.000 1.766 284 C CB -0.867 26.688 27.740 -0.310 0.000 1.924 284 C HN 0.542 nan 8.230 nan 0.000 0.509 285 I N 1.142 121.753 120.570 0.068 0.000 2.333 285 I HA -0.083 4.087 4.170 0.000 0.000 0.246 285 I C 2.060 178.191 176.117 0.024 0.000 1.106 285 I CA 1.610 62.969 61.300 0.099 0.000 1.411 285 I CB -1.445 36.609 38.000 0.091 0.000 1.082 285 I HN 0.339 nan 8.210 nan 0.000 0.420 286 D N 0.967 121.352 120.400 -0.026 0.000 2.178 286 D HA -0.085 4.555 4.640 0.000 0.000 0.202 286 D C 2.000 178.271 176.300 -0.050 0.000 0.974 286 D CA 0.929 54.896 54.000 -0.054 0.000 0.841 286 D CB 0.012 40.754 40.800 -0.097 0.000 0.953 286 D HN 0.318 nan 8.370 nan 0.000 0.478 287 L N -0.060 121.138 121.223 -0.042 0.000 2.653 287 L HA 0.238 4.578 4.340 0.000 0.000 0.232 287 L C 0.767 177.620 176.870 -0.027 0.000 1.169 287 L CA -0.092 54.726 54.840 -0.035 0.000 0.951 287 L CB -0.200 41.823 42.059 -0.060 0.000 1.181 287 L HN 0.011 nan 8.230 nan 0.000 0.460 288 G N -0.089 108.712 108.800 0.001 0.000 2.401 288 G HA2 -0.278 3.682 3.960 0.000 0.000 0.283 288 G HA3 -0.278 3.682 3.960 0.000 0.000 0.283 288 G C -0.814 174.136 174.900 0.083 0.000 1.117 288 G CA -0.362 44.746 45.100 0.013 0.000 1.051 288 G HN 0.359 nan 8.290 nan 0.000 0.510 289 W N 1.351 122.598 121.300 -0.089 0.000 2.627 289 W HA 0.733 5.393 4.660 0.000 0.000 0.339 289 W C -0.138 176.339 176.519 -0.071 0.000 1.058 289 W CA -1.688 55.610 57.345 -0.079 0.000 1.223 289 W CB 1.140 30.557 29.460 -0.071 0.000 1.389 289 W HN 0.006 nan 8.180 nan 0.000 0.541 290 K N 6.333 126.225 120.400 -0.847 0.000 2.231 290 K HA 0.198 4.518 4.320 0.000 0.000 0.275 290 K C -2.321 173.489 176.600 -1.315 0.000 1.105 290 K CA -1.630 54.175 56.287 -0.804 0.000 0.931 290 K CB 0.647 32.826 32.500 -0.536 0.000 1.296 290 K HN 0.259 nan 8.250 nan 0.000 0.446 291 P HA 0.077 nan 4.420 nan 0.000 0.268 291 P C 0.158 176.799 177.300 -1.098 0.000 1.282 291 P CA -0.045 62.352 63.100 -1.172 0.000 0.880 291 P CB 0.251 31.275 31.700 -1.127 0.000 0.971 292 R N 3.225 123.284 120.500 -0.735 0.000 2.346 292 R HA -0.024 4.316 4.340 0.000 0.000 0.208 292 R C -0.126 176.013 176.300 -0.269 0.000 1.052 292 R CA -0.411 55.470 56.100 -0.365 0.000 1.116 292 R CB -0.981 29.224 30.300 -0.158 0.000 1.003 292 R HN 0.331 nan 8.270 nan 0.000 0.482 293 Y N -1.055 118.931 120.300 -0.523 0.000 3.014 293 Y HA -0.300 4.250 4.550 0.000 0.000 0.209 293 Y C 0.861 176.671 175.900 -0.150 0.000 1.287 293 Y CA 0.896 58.576 58.100 -0.701 0.000 0.819 293 Y CB -1.337 36.799 38.460 -0.540 0.000 1.273 293 Y HN 0.348 nan 8.280 nan 0.000 0.370 294 G N 0.923 109.883 108.800 0.267 0.000 3.243 294 G HA2 0.627 4.588 3.960 0.000 0.000 0.248 294 G HA3 0.627 4.588 3.960 0.000 0.000 0.248 294 G C 0.384 175.395 174.900 0.184 0.000 1.267 294 G CA -1.007 44.214 45.100 0.202 0.000 0.906 294 G HN 0.278 nan 8.290 nan 0.000 0.592 295 R N -1.382 119.113 120.500 -0.008 0.000 2.335 295 R HA 0.279 4.620 4.340 0.000 0.000 0.210 295 R C -0.502 175.447 176.300 -0.584 0.000 0.892 295 R CA 0.296 56.223 56.100 -0.289 0.000 1.048 295 R CB 0.561 30.591 30.300 -0.450 0.000 1.067 295 R HN 0.257 nan 8.270 nan 0.000 0.524 296 F N 0.967 120.837 119.950 -0.133 0.000 2.520 296 F HA 0.237 4.764 4.527 0.000 0.000 0.371 296 F C -0.940 174.765 175.800 -0.159 0.000 1.540 296 F CA -1.413 56.202 58.000 -0.641 0.000 1.091 296 F CB 0.677 39.287 39.000 -0.651 0.000 1.488 296 F HN -0.253 nan 8.300 nan 0.000 0.538 297 D N 1.755 122.321 120.400 0.277 0.000 2.347 297 D HA 0.206 4.846 4.640 0.000 0.000 0.235 297 D C 0.266 176.850 176.300 0.474 0.000 1.149 297 D CA 0.039 54.291 54.000 0.419 0.000 0.850 297 D CB 2.322 43.424 40.800 0.503 0.000 1.061 297 D HN -0.072 nan 8.370 nan 0.000 0.487 298 V N 4.160 124.316 119.914 0.404 0.000 2.458 298 V HA -0.062 4.058 4.120 0.000 0.000 0.287 298 V C 1.208 177.324 176.094 0.036 0.000 1.009 298 V CA -0.100 62.293 62.300 0.155 0.000 1.091 298 V CB -0.266 31.589 31.823 0.053 0.000 0.960 298 V HN 0.354 nan 8.190 nan 0.000 0.476 299 L N 8.456 129.607 121.223 -0.119 0.000 2.492 299 L HA 0.212 4.552 4.340 0.000 0.000 0.280 299 L C -1.630 175.038 176.870 -0.337 0.000 1.240 299 L CA -1.074 53.550 54.840 -0.360 0.000 0.831 299 L CB 0.325 42.270 42.059 -0.188 0.000 1.100 299 L HN 0.466 nan 8.230 nan 0.000 0.505 300 P HA 0.143 nan 4.420 nan 0.000 0.282 300 P C -0.987 176.276 177.300 -0.063 0.000 1.249 300 P CA -0.711 62.202 63.100 -0.312 0.000 0.806 300 P CB 1.269 32.605 31.700 -0.607 0.000 0.984 301 L N 3.162 124.435 121.223 0.084 0.000 2.418 301 L HA 0.094 4.434 4.340 0.000 0.000 0.274 301 L C 0.320 177.298 176.870 0.179 0.000 1.135 301 L CA 0.139 55.081 54.840 0.170 0.000 0.870 301 L CB 0.372 42.602 42.059 0.284 0.000 1.154 301 L HN 0.138 nan 8.230 nan 0.000 0.462 302 V N 6.216 126.246 119.914 0.192 0.000 2.240 302 V HA 0.268 4.388 4.120 0.000 0.000 0.265 302 V C -0.172 175.935 176.094 0.022 0.000 1.073 302 V CA -0.743 61.605 62.300 0.079 0.000 0.857 302 V CB 0.756 32.655 31.823 0.126 0.000 1.114 302 V HN 0.350 nan 8.190 nan 0.000 0.469 303 L N 4.880 126.125 121.223 0.036 0.000 2.312 303 L HA 0.604 4.944 4.340 0.000 0.000 0.281 303 L C 0.132 176.901 176.870 -0.168 0.000 1.070 303 L CA -0.280 54.560 54.840 0.001 0.000 0.805 303 L CB 1.346 43.486 42.059 0.136 0.000 1.174 303 L HN 0.821 nan 8.230 nan 0.000 0.434 304 Q N 2.013 121.687 119.800 -0.210 0.000 2.310 304 Q HA 0.888 5.228 4.340 0.000 0.000 0.270 304 Q C -1.282 174.559 176.000 -0.266 0.000 1.025 304 Q CA -0.714 54.916 55.803 -0.288 0.000 0.772 304 Q CB 2.135 30.660 28.738 -0.355 0.000 1.253 304 Q HN 0.671 nan 8.270 nan 0.000 0.450 305 A N 2.449 125.059 122.820 -0.351 0.000 2.350 305 A HA 0.653 4.973 4.320 0.000 0.000 0.324 305 A C -0.051 177.036 177.584 -0.829 0.000 1.118 305 A CA 0.016 51.600 52.037 -0.755 0.000 0.783 305 A CB 1.099 19.835 19.000 -0.440 0.000 1.236 305 A HN 0.996 nan 8.150 nan 0.000 0.457 306 D N 0.279 119.744 120.400 -1.559 0.000 3.006 306 D HA -0.187 4.453 4.640 0.000 0.000 0.208 306 D C 1.031 177.256 176.300 -0.125 0.000 1.116 306 D CA 3.335 56.998 54.000 -0.561 0.000 0.998 306 D CB -1.112 39.556 40.800 -0.220 0.000 1.124 306 D HN 2.256 nan 8.370 nan 0.000 0.413 307 G N -1.486 107.204 108.800 -0.183 0.000 2.163 307 G HA2 -0.294 3.666 3.960 0.000 0.000 0.213 307 G HA3 -0.294 3.666 3.960 0.000 0.000 0.213 307 G C 0.271 175.177 174.900 0.009 0.000 0.991 307 G CA 0.895 45.989 45.100 -0.010 0.000 0.653 307 G HN 0.663 nan 8.290 nan 0.000 0.518 308 Q N 0.516 120.272 119.800 -0.073 0.000 2.591 308 Q HA 0.485 4.825 4.340 0.000 0.000 0.204 308 Q C 0.311 176.276 176.000 -0.060 0.000 1.148 308 Q CA 0.403 56.177 55.803 -0.048 0.000 0.981 308 Q CB 0.210 28.895 28.738 -0.088 0.000 3.255 308 Q HN 0.312 nan 8.270 nan 0.000 0.512 309 D N 0.334 120.658 120.400 -0.125 0.000 2.272 309 D HA 0.356 4.996 4.640 0.000 0.000 0.247 309 D C -2.323 173.720 176.300 -0.429 0.000 0.990 309 D CA -1.375 52.468 54.000 -0.262 0.000 0.931 309 D CB 1.092 41.817 40.800 -0.125 0.000 1.195 309 D HN 0.343 nan 8.370 nan 0.000 0.477 310 P HA 0.145 nan 4.420 nan 0.000 0.276 310 P C -0.831 176.193 177.300 -0.462 0.000 1.235 310 P CA -0.074 62.554 63.100 -0.786 0.000 0.772 310 P CB 1.129 31.886 31.700 -1.572 0.000 0.871 311 E N 1.409 121.416 120.200 -0.321 0.000 2.171 311 E HA 0.330 4.681 4.350 0.000 0.000 0.271 311 E C -0.458 175.847 176.600 -0.492 0.000 0.916 311 E CA -1.174 55.010 56.400 -0.361 0.000 0.774 311 E CB 1.886 31.404 29.700 -0.304 0.000 1.128 311 E HN 0.209 nan 8.360 nan 0.000 0.403 312 V N 3.628 123.211 119.914 -0.551 0.000 2.583 312 V HA 0.236 4.356 4.120 0.000 0.000 0.287 312 V C -0.501 175.113 176.094 -0.800 0.000 1.051 312 V CA 0.041 62.063 62.300 -0.463 0.000 1.010 312 V CB -0.171 31.496 31.823 -0.260 0.000 0.988 312 V HN 0.503 nan 8.190 nan 0.000 0.478 313 F N 2.023 121.851 119.950 -0.204 0.000 2.562 313 F HA 0.424 4.951 4.527 0.000 0.000 0.319 313 F C 0.157 175.886 175.800 -0.118 0.000 1.154 313 F CA -0.663 57.118 58.000 -0.364 0.000 0.931 313 F CB 1.658 40.194 39.000 -0.773 0.000 1.198 313 F HN 0.499 nan 8.300 nan 0.000 0.444 314 E N 3.269 123.544 120.200 0.125 0.000 2.343 314 E HA 0.486 4.836 4.350 0.000 0.000 0.269 314 E C -0.714 176.086 176.600 0.332 0.000 1.047 314 E CA -0.394 56.142 56.400 0.226 0.000 0.874 314 E CB 0.925 30.788 29.700 0.271 0.000 1.033 314 E HN 0.515 nan 8.360 nan 0.000 0.409 315 I N 4.912 125.641 120.570 0.265 0.000 2.396 315 I HA 0.216 4.386 4.170 0.000 0.000 0.292 315 I C -1.999 174.229 176.117 0.184 0.000 0.999 315 I CA -2.380 59.062 61.300 0.238 0.000 1.310 315 I CB 1.148 39.216 38.000 0.112 0.000 1.404 315 I HN 0.402 nan 8.210 nan 0.000 0.496 316 P HA 0.077 nan 4.420 nan 0.000 0.257 316 P C -2.029 175.318 177.300 0.077 0.000 1.227 316 P CA -0.830 62.335 63.100 0.109 0.000 0.981 316 P CB 0.060 31.800 31.700 0.066 0.000 1.044 317 P HA -0.278 nan 4.420 nan 0.000 0.220 317 P C 1.142 178.473 177.300 0.052 0.000 1.155 317 P CA 1.489 64.635 63.100 0.075 0.000 0.880 317 P CB -0.051 31.697 31.700 0.081 0.000 0.790 318 D N -1.338 119.088 120.400 0.045 0.000 2.271 318 D HA -0.128 4.512 4.640 0.000 0.000 0.207 318 D C 1.810 178.123 176.300 0.021 0.000 0.983 318 D CA 0.997 55.016 54.000 0.030 0.000 0.878 318 D CB -0.166 40.650 40.800 0.027 0.000 0.920 318 D HN 0.254 nan 8.370 nan 0.000 0.479 319 L N 0.102 121.337 121.223 0.020 0.000 2.249 319 L HA 0.013 4.353 4.340 0.000 0.000 0.207 319 L C 0.808 177.686 176.870 0.012 0.000 1.090 319 L CA 0.164 55.010 54.840 0.010 0.000 0.802 319 L CB 0.338 42.393 42.059 -0.007 0.000 0.947 319 L HN -0.239 nan 8.230 nan 0.000 0.453 320 V N 2.794 122.716 119.914 0.013 0.000 2.381 320 V HA 0.034 4.154 4.120 0.000 0.000 0.257 320 V C 0.108 176.218 176.094 0.027 0.000 1.057 320 V CA -0.316 61.989 62.300 0.008 0.000 1.013 320 V CB 0.584 32.402 31.823 -0.009 0.000 1.069 320 V HN 0.055 nan 8.190 nan 0.000 0.484 321 L N 6.456 127.701 121.223 0.036 0.000 2.331 321 L HA 0.491 4.831 4.340 0.000 0.000 0.278 321 L C 0.096 176.981 176.870 0.025 0.000 1.106 321 L CA 0.406 55.261 54.840 0.025 0.000 0.824 321 L CB 0.624 42.699 42.059 0.026 0.000 1.142 321 L HN 0.676 nan 8.230 nan 0.000 0.443 322 E N 3.445 123.631 120.200 -0.024 0.000 2.288 322 E HA 0.538 4.888 4.350 0.000 0.000 0.268 322 E C -1.420 175.074 176.600 -0.178 0.000 0.885 322 E CA -1.033 55.324 56.400 -0.071 0.000 0.767 322 E CB 2.522 32.197 29.700 -0.043 0.000 1.220 322 E HN 0.390 nan 8.360 nan 0.000 0.427 323 V N 1.842 121.573 119.914 -0.304 0.000 2.483 323 V HA 0.282 4.402 4.120 0.000 0.000 0.295 323 V C -0.223 175.709 176.094 -0.270 0.000 1.035 323 V CA -0.592 61.461 62.300 -0.412 0.000 0.896 323 V CB 1.769 33.034 31.823 -0.930 0.000 0.986 323 V HN 0.757 nan 8.190 nan 0.000 0.447 324 T N 4.835 119.267 114.554 -0.204 0.000 2.771 324 T HA 0.436 4.786 4.350 0.000 0.000 0.291 324 T C -0.052 174.576 174.700 -0.119 0.000 0.954 324 T CA -0.760 61.254 62.100 -0.144 0.000 1.045 324 T CB 0.721 69.523 68.868 -0.109 0.000 0.917 324 T HN 0.326 nan 8.240 nan 0.000 0.484 325 M N 4.711 124.256 119.600 -0.093 0.000 2.350 325 M HA 0.195 4.675 4.480 0.000 0.000 0.338 325 M C 0.505 176.764 176.300 -0.069 0.000 1.559 325 M CA 0.094 55.364 55.300 -0.051 0.000 1.217 325 M CB -1.020 31.532 32.600 -0.081 0.000 1.808 325 M HN 0.800 nan 8.290 nan 0.000 0.458 326 E N 2.170 122.411 120.200 0.069 0.000 2.263 326 E HA 0.325 4.675 4.350 0.000 0.000 0.268 326 E C -0.966 175.820 176.600 0.311 0.000 0.884 326 E CA -0.835 55.663 56.400 0.164 0.000 0.766 326 E CB 1.700 31.413 29.700 0.021 0.000 1.196 326 E HN 0.505 nan 8.360 nan 0.000 0.416 327 H N 4.471 123.748 119.070 0.345 0.000 2.652 327 H HA 0.127 4.683 4.556 0.000 0.000 0.349 327 H C -1.562 173.906 175.328 0.234 0.000 1.099 327 H CA -1.858 54.268 56.048 0.130 0.000 1.417 327 H CB 1.554 31.166 29.762 -0.250 0.000 1.457 327 H HN 0.487 nan 8.280 nan 0.000 0.568 328 P HA 0.003 nan 4.420 nan 0.000 0.242 328 P C 0.157 177.591 177.300 0.225 0.000 1.197 328 P CA 0.710 63.931 63.100 0.201 0.000 0.765 328 P CB 0.961 32.432 31.700 -0.381 0.000 0.936 329 K N -0.910 119.680 120.400 0.316 0.000 2.804 329 K HA 0.213 4.533 4.320 0.000 0.000 0.248 329 K C -0.169 176.364 176.600 -0.111 0.000 1.516 329 K CA -0.064 56.227 56.287 0.006 0.000 0.881 329 K CB -0.768 31.676 32.500 -0.094 0.000 1.964 329 K HN -0.248 nan 8.250 nan 0.000 0.358 330 Y N 3.766 123.724 120.300 -0.571 0.000 2.839 330 Y HA -0.126 4.424 4.550 0.000 0.000 0.381 330 Y C 0.806 176.375 175.900 -0.551 0.000 1.362 330 Y CA 0.590 58.340 58.100 -0.583 0.000 1.750 330 Y CB -0.827 36.988 38.460 -1.076 0.000 1.227 330 Y HN 0.331 nan 8.280 nan 0.000 0.504 331 E N 2.980 123.134 120.200 -0.075 0.000 2.418 331 E HA -0.135 4.215 4.350 0.000 0.000 0.197 331 E C 1.184 177.810 176.600 0.044 0.000 1.026 331 E CA 0.673 57.082 56.400 0.015 0.000 0.862 331 E CB -0.069 29.680 29.700 0.083 0.000 0.799 331 E HN 0.901 nan 8.360 nan 0.000 0.518 332 W N -0.508 120.897 121.300 0.176 0.000 3.180 332 W HA 0.058 4.718 4.660 0.000 0.000 0.254 332 W C 0.931 177.576 176.519 0.210 0.000 1.318 332 W CA -0.354 57.084 57.345 0.155 0.000 1.608 332 W CB -0.659 28.883 29.460 0.137 0.000 1.124 332 W HN -0.038 nan 8.180 nan 0.000 0.694 333 F N 3.401 122.992 119.950 -0.598 0.000 2.325 333 F HA -0.126 4.401 4.527 0.000 0.000 0.299 333 F C 2.760 178.470 175.800 -0.150 0.000 1.090 333 F CA 2.065 59.756 58.000 -0.515 0.000 1.392 333 F CB -0.408 38.261 39.000 -0.551 0.000 1.053 333 F HN 0.054 nan 8.300 nan 0.000 0.521 334 Q N -0.514 119.220 119.800 -0.110 0.000 2.311 334 Q HA -0.130 4.210 4.340 0.000 0.000 0.203 334 Q C 1.550 177.499 176.000 -0.084 0.000 0.954 334 Q CA 1.318 57.042 55.803 -0.132 0.000 0.885 334 Q CB -0.746 27.970 28.738 -0.036 0.000 0.963 334 Q HN 0.451 nan 8.270 nan 0.000 0.471 335 E N 0.622 120.826 120.200 0.005 0.000 2.333 335 E HA -0.129 4.221 4.350 0.000 0.000 0.198 335 E C 1.501 178.118 176.600 0.028 0.000 1.007 335 E CA 0.664 57.102 56.400 0.064 0.000 0.845 335 E CB 0.044 29.849 29.700 0.175 0.000 0.766 335 E HN 0.358 nan 8.360 nan 0.000 0.507 336 L N -0.820 120.366 121.223 -0.063 0.000 2.291 336 L HA 0.037 4.377 4.340 0.000 0.000 0.214 336 L C 1.819 178.638 176.870 -0.086 0.000 1.120 336 L CA 1.169 55.954 54.840 -0.092 0.000 0.799 336 L CB -0.185 41.719 42.059 -0.259 0.000 0.925 336 L HN 0.246 nan 8.230 nan 0.000 0.446 337 G N -0.952 107.787 108.800 -0.101 0.000 2.184 337 G HA2 -0.289 3.671 3.960 0.000 0.000 0.264 337 G HA3 -0.289 3.671 3.960 0.000 0.000 0.264 337 G C 0.278 175.219 174.900 0.069 0.000 0.975 337 G CA 0.078 45.170 45.100 -0.013 0.000 0.642 337 G HN 0.146 nan 8.290 nan 0.000 0.536 338 L N 0.582 121.797 121.223 -0.013 0.000 2.499 338 L HA 0.528 4.868 4.340 0.000 0.000 0.281 338 L C 0.933 177.810 176.870 0.011 0.000 1.234 338 L CA 1.356 56.279 54.840 0.140 0.000 0.839 338 L CB 0.622 42.530 42.059 -0.252 0.000 1.104 338 L HN 0.730 nan 8.230 nan 0.000 0.500 339 K N 0.489 120.799 120.400 -0.151 0.000 2.614 339 K HA 0.559 4.879 4.320 0.000 0.000 0.293 339 K C -1.777 174.688 176.600 -0.226 0.000 1.045 339 K CA -1.043 55.063 56.287 -0.302 0.000 0.880 339 K CB 1.680 33.902 32.500 -0.464 0.000 1.552 339 K HN 0.485 nan 8.250 nan 0.000 0.404 340 W N 1.657 122.729 121.300 -0.381 0.000 3.700 340 W HA 0.228 4.888 4.660 0.000 0.000 0.279 340 W C -1.444 174.917 176.519 -0.264 0.000 1.270 340 W CA -0.702 56.469 57.345 -0.290 0.000 1.216 340 W CB 1.098 30.299 29.460 -0.430 0.000 1.292 340 W HN 0.674 nan 8.180 nan 0.000 0.557 341 Y N 1.458 121.594 120.300 -0.273 0.000 2.578 341 Y HA 0.430 4.980 4.550 0.000 0.000 0.339 341 Y C 0.721 176.729 175.900 0.180 0.000 1.231 341 Y CA 0.439 58.465 58.100 -0.123 0.000 1.461 341 Y CB 0.159 38.451 38.460 -0.280 0.000 1.323 341 Y HN 0.341 nan 8.280 nan 0.000 0.590 342 A N 3.183 126.187 122.820 0.307 0.000 2.337 342 A HA 0.303 4.623 4.320 0.000 0.000 0.227 342 A C -0.164 177.733 177.584 0.523 0.000 1.259 342 A CA -0.157 52.160 52.037 0.467 0.000 0.870 342 A CB -0.423 18.750 19.000 0.289 0.000 0.927 342 A HN 0.638 nan 8.150 nan 0.000 0.497 343 L N 1.611 123.142 121.223 0.513 0.000 2.353 343 L HA 0.472 4.812 4.340 0.000 0.000 0.270 343 L C -2.736 174.294 176.870 0.266 0.000 1.003 343 L CA -2.079 52.959 54.840 0.330 0.000 0.862 343 L CB 1.954 44.124 42.059 0.186 0.000 1.221 343 L HN -0.061 nan 8.230 nan 0.000 0.430 344 P HA 0.469 nan 4.420 nan 0.000 0.292 344 P C -1.430 175.768 177.300 -0.170 0.000 1.326 344 P CA -0.314 62.671 63.100 -0.192 0.000 0.787 344 P CB 1.608 32.871 31.700 -0.728 0.000 0.903 345 A N 4.060 126.772 122.820 -0.180 0.000 2.375 345 A HA 0.470 4.790 4.320 0.000 0.000 0.295 345 A C -0.629 176.727 177.584 -0.379 0.000 1.066 345 A CA -0.684 51.186 52.037 -0.279 0.000 0.722 345 A CB 1.378 20.212 19.000 -0.276 0.000 1.206 345 A HN 0.297 nan 8.150 nan 0.000 0.435 346 V N 2.579 122.144 119.914 -0.581 0.000 2.488 346 V HA 0.405 4.525 4.120 0.000 0.000 0.277 346 V C 1.219 176.859 176.094 -0.757 0.000 1.046 346 V CA 0.884 62.772 62.300 -0.685 0.000 0.986 346 V CB 0.956 32.237 31.823 -0.904 0.000 0.989 346 V HN 1.157 nan 8.190 nan 0.000 0.475 347 A N 4.358 126.887 122.820 -0.485 0.000 1.993 347 A HA 0.044 4.364 4.320 0.000 0.000 0.207 347 A C 1.536 178.944 177.584 -0.293 0.000 1.224 347 A CA 0.652 52.464 52.037 -0.375 0.000 0.749 347 A CB -0.169 18.675 19.000 -0.259 0.000 0.884 347 A HN 0.899 nan 8.150 nan 0.000 0.467 348 N N -0.901 117.642 118.700 -0.262 0.000 2.314 348 N HA 0.168 4.908 4.740 0.000 0.000 0.200 348 N C 0.357 175.776 175.510 -0.152 0.000 1.135 348 N CA -0.211 52.734 53.050 -0.176 0.000 0.835 348 N CB 0.026 38.427 38.487 -0.144 0.000 0.989 348 N HN 0.366 nan 8.380 nan 0.000 0.478 349 M N 1.060 120.540 119.600 -0.200 0.000 2.197 349 M HA 0.303 4.783 4.480 0.000 0.000 0.305 349 M C -0.393 175.961 176.300 0.090 0.000 1.162 349 M CA -0.516 54.733 55.300 -0.085 0.000 1.099 349 M CB 1.708 34.246 32.600 -0.103 0.000 1.430 349 M HN 0.105 nan 8.290 nan 0.000 0.481 350 L N 2.276 123.622 121.223 0.206 0.000 2.356 350 L HA 0.494 4.834 4.340 0.000 0.000 0.277 350 L C -1.475 175.633 176.870 0.397 0.000 0.996 350 L CA -0.995 54.012 54.840 0.278 0.000 0.822 350 L CB 1.567 43.754 42.059 0.213 0.000 1.256 350 L HN 0.538 nan 8.230 nan 0.000 0.413 351 L N 5.128 126.592 121.223 0.402 0.000 2.276 351 L HA 0.456 4.796 4.340 0.000 0.000 0.286 351 L C -0.421 176.626 176.870 0.294 0.000 1.061 351 L CA 0.454 55.478 54.840 0.307 0.000 0.807 351 L CB 1.069 43.273 42.059 0.241 0.000 1.177 351 L HN 0.608 nan 8.230 nan 0.000 0.429 352 E N 5.223 125.541 120.200 0.196 0.000 2.199 352 E HA 0.543 4.893 4.350 0.000 0.000 0.265 352 E C -1.992 174.627 176.600 0.031 0.000 0.882 352 E CA -0.459 56.026 56.400 0.142 0.000 0.759 352 E CB 1.896 31.716 29.700 0.200 0.000 1.148 352 E HN 0.530 nan 8.360 nan 0.000 0.412 353 V N 2.566 122.455 119.914 -0.043 0.000 2.969 353 V HA 0.573 4.693 4.120 0.000 0.000 0.304 353 V C 0.238 176.178 176.094 -0.257 0.000 1.192 353 V CA 0.383 62.535 62.300 -0.248 0.000 0.962 353 V CB 1.643 33.222 31.823 -0.405 0.000 1.045 353 V HN 0.871 nan 8.190 nan 0.000 0.428 354 G N 3.998 112.635 108.800 -0.272 0.000 2.412 354 G HA2 0.060 4.020 3.960 0.000 0.000 0.297 354 G HA3 0.060 4.020 3.960 0.000 0.000 0.297 354 G C 1.454 176.473 174.900 0.199 0.000 0.965 354 G CA 1.172 46.327 45.100 0.091 0.000 1.134 354 G HN 2.779 nan 8.290 nan 0.000 0.511 355 G N -1.988 106.875 108.800 0.105 0.000 2.233 355 G HA2 -0.249 3.711 3.960 0.000 0.000 0.270 355 G HA3 -0.249 3.711 3.960 0.000 0.000 0.270 355 G C 0.397 175.342 174.900 0.075 0.000 1.011 355 G CA 0.955 46.132 45.100 0.128 0.000 0.762 355 G HN 1.266 nan 8.290 nan 0.000 0.511 356 L N -0.524 120.691 121.223 -0.012 0.000 2.319 356 L HA 0.799 5.139 4.340 0.000 0.000 0.267 356 L C 0.128 176.872 176.870 -0.211 0.000 1.011 356 L CA -1.029 53.717 54.840 -0.157 0.000 0.818 356 L CB 1.877 43.762 42.059 -0.291 0.000 1.316 356 L HN 0.448 nan 8.230 nan 0.000 0.432 357 E N 1.048 121.041 120.200 -0.344 0.000 2.287 357 E HA 0.364 4.714 4.350 0.000 0.000 0.274 357 E C -1.769 174.667 176.600 -0.273 0.000 0.896 357 E CA -0.604 55.672 56.400 -0.205 0.000 0.788 357 E CB 1.213 30.860 29.700 -0.088 0.000 1.244 357 E HN 0.202 nan 8.360 nan 0.000 0.408 358 F N 3.765 123.735 119.950 0.034 0.000 2.313 358 F HA 0.312 4.839 4.527 0.000 0.000 0.369 358 F C -1.430 174.424 175.800 0.091 0.000 1.109 358 F CA -2.610 55.425 58.000 0.059 0.000 1.132 358 F CB 1.214 40.252 39.000 0.064 0.000 1.291 358 F HN 0.382 nan 8.300 nan 0.000 0.496 359 P HA -0.059 nan 4.420 nan 0.000 0.228 359 P C -0.006 177.384 177.300 0.149 0.000 1.151 359 P CA 0.702 63.896 63.100 0.157 0.000 0.770 359 P CB 0.434 32.205 31.700 0.117 0.000 0.786 360 A N 0.234 123.172 122.820 0.197 0.000 2.357 360 A HA 0.565 4.885 4.320 0.000 0.000 0.295 360 A C -0.318 177.387 177.584 0.202 0.000 1.121 360 A CA -0.424 51.683 52.037 0.117 0.000 0.742 360 A CB 0.533 19.551 19.000 0.030 0.000 1.181 360 A HN 0.296 nan 8.150 nan 0.000 0.454 361 C N 1.208 120.595 119.300 0.144 0.000 3.175 361 C HA 0.517 4.977 4.460 0.000 0.000 0.352 361 C C -3.215 171.816 174.990 0.068 0.000 0.938 361 C CA -1.332 57.805 59.018 0.198 0.000 1.236 361 C CB 0.116 27.986 27.740 0.217 0.000 1.623 361 C HN 0.588 nan 8.230 nan 0.000 0.597 362 P HA 0.476 nan 4.420 nan 0.000 0.276 362 P C -0.678 176.534 177.300 -0.146 0.000 1.230 362 P CA 0.559 63.496 63.100 -0.271 0.000 0.776 362 P CB 0.731 32.276 31.700 -0.259 0.000 0.888 363 F N 0.894 120.717 119.950 -0.211 0.000 2.593 363 F HA 0.692 5.219 4.527 0.000 0.000 0.320 363 F C -0.375 175.269 175.800 -0.260 0.000 1.060 363 F CA -1.157 56.713 58.000 -0.216 0.000 0.940 363 F CB 1.693 40.435 39.000 -0.430 0.000 1.268 363 F HN 0.286 nan 8.300 nan 0.000 0.475 364 N N -0.033 118.677 118.700 0.017 0.000 2.329 364 N HA 0.679 5.419 4.740 0.000 0.000 0.282 364 N C -1.034 174.374 175.510 -0.169 0.000 1.198 364 N CA -0.417 52.583 53.050 -0.083 0.000 0.790 364 N CB 1.956 40.450 38.487 0.012 0.000 1.579 364 N HN 0.963 nan 8.380 nan 0.000 0.475 365 G N -0.310 108.350 108.800 -0.233 0.000 3.267 365 G HA2 0.672 4.632 3.960 0.000 0.000 0.200 365 G HA3 0.672 4.632 3.960 0.000 0.000 0.200 365 G C -1.480 173.359 174.900 -0.103 0.000 1.603 365 G CA -0.275 44.602 45.100 -0.372 0.000 0.753 365 G HN 0.737 nan 8.290 nan 0.000 0.755 366 W N -1.970 119.272 121.300 -0.098 0.000 3.153 366 W HA 0.737 5.397 4.660 0.000 0.000 0.316 366 W C -1.836 174.620 176.519 -0.105 0.000 1.255 366 W CA -2.407 54.905 57.345 -0.055 0.000 1.192 366 W CB 0.045 29.512 29.460 0.012 0.000 1.400 366 W HN 0.433 nan 8.180 nan 0.000 0.568 367 Y N 2.624 123.073 120.300 0.249 0.000 2.426 367 Y HA 0.342 4.892 4.550 0.000 0.000 0.344 367 Y C 0.922 176.845 175.900 0.037 0.000 1.256 367 Y CA -0.157 57.963 58.100 0.032 0.000 1.451 367 Y CB 0.894 39.250 38.460 -0.173 0.000 1.342 367 Y HN 0.443 nan 8.280 nan 0.000 0.600 368 M N 2.324 122.027 119.600 0.171 0.000 2.134 368 M HA 0.286 4.766 4.480 0.000 0.000 0.310 368 M C 0.965 177.235 176.300 -0.050 0.000 0.966 368 M CA -0.246 55.093 55.300 0.066 0.000 0.922 368 M CB 1.186 33.815 32.600 0.048 0.000 1.537 368 M HN 0.895 nan 8.290 nan 0.000 0.424 369 G N 2.651 111.376 108.800 -0.125 0.000 2.913 369 G HA2 -0.443 3.517 3.960 0.000 0.000 0.269 369 G HA3 -0.443 3.517 3.960 0.000 0.000 0.269 369 G C 0.994 175.744 174.900 -0.250 0.000 1.091 369 G CA 2.505 47.482 45.100 -0.205 0.000 0.753 369 G HN 0.880 nan 8.290 nan 0.000 0.776 370 T N -0.661 113.742 114.554 -0.252 0.000 3.026 370 T HA -0.016 4.334 4.350 0.000 0.000 0.271 370 T C 1.832 176.365 174.700 -0.279 0.000 1.149 370 T CA 1.869 63.782 62.100 -0.311 0.000 1.088 370 T CB -0.279 68.329 68.868 -0.433 0.000 0.857 370 T HN 0.670 nan 8.240 nan 0.000 0.551 371 E N 0.861 120.919 120.200 -0.237 0.000 2.047 371 E HA 0.001 4.351 4.350 0.000 0.000 0.191 371 E C 2.087 178.451 176.600 -0.392 0.000 0.987 371 E CA 1.218 57.496 56.400 -0.203 0.000 0.799 371 E CB -0.196 29.516 29.700 0.019 0.000 0.752 371 E HN 0.558 nan 8.360 nan 0.000 0.449 372 I N 0.881 121.078 120.570 -0.621 0.000 2.188 372 I HA -0.098 4.072 4.170 0.000 0.000 0.237 372 I C 2.665 178.248 176.117 -0.889 0.000 1.073 372 I CA 1.059 61.692 61.300 -1.111 0.000 1.359 372 I CB -0.660 36.571 38.000 -1.281 0.000 1.083 372 I HN 0.129 nan 8.210 nan 0.000 0.412 373 G N 0.323 108.823 108.800 -0.500 0.000 2.475 373 G HA2 -0.168 3.792 3.960 0.000 0.000 0.220 373 G HA3 -0.168 3.792 3.960 0.000 0.000 0.220 373 G C 1.511 176.344 174.900 -0.112 0.000 1.125 373 G CA 1.373 46.368 45.100 -0.174 0.000 0.755 373 G HN 0.302 nan 8.290 nan 0.000 0.565 374 V N -0.663 119.130 119.914 -0.201 0.000 3.151 374 V HA 0.159 4.279 4.120 0.000 0.000 0.241 374 V C 2.546 178.562 176.094 -0.129 0.000 1.173 374 V CA 0.391 62.605 62.300 -0.143 0.000 1.154 374 V CB 0.187 31.899 31.823 -0.184 0.000 0.898 374 V HN 0.124 nan 8.190 nan 0.000 0.473 375 R N 0.542 120.930 120.500 -0.188 0.000 2.075 375 R HA 0.070 4.410 4.340 0.000 0.000 0.220 375 R C 1.702 177.935 176.300 -0.113 0.000 1.118 375 R CA 1.227 57.242 56.100 -0.142 0.000 0.986 375 R CB -0.619 29.583 30.300 -0.164 0.000 0.884 375 R HN 0.440 nan 8.270 nan 0.000 0.439 376 D N 0.161 120.391 120.400 -0.283 0.000 2.162 376 D HA -0.036 4.604 4.640 0.000 0.000 0.203 376 D C 1.636 177.878 176.300 -0.096 0.000 0.967 376 D CA 0.916 54.724 54.000 -0.320 0.000 0.840 376 D CB -0.023 40.147 40.800 -1.050 0.000 0.972 376 D HN 0.065 nan 8.370 nan 0.000 0.482 377 F N 0.380 120.232 119.950 -0.163 0.000 2.569 377 F HA 0.106 4.634 4.527 0.000 0.000 0.295 377 F C 1.183 177.021 175.800 0.064 0.000 1.115 377 F CA -0.489 57.501 58.000 -0.016 0.000 1.450 377 F CB 0.015 38.982 39.000 -0.055 0.000 1.107 377 F HN -0.110 nan 8.300 nan 0.000 0.563 378 C N 0.848 120.267 119.300 0.198 0.000 3.273 378 C HA 0.512 4.972 4.460 0.000 0.000 0.227 378 C C -0.610 174.433 174.990 0.089 0.000 1.409 378 C CA -0.823 58.276 59.018 0.134 0.000 1.516 378 C CB -1.027 26.759 27.740 0.077 0.000 1.853 378 C HN 0.066 nan 8.230 nan 0.000 0.472 379 D N -0.406 120.068 120.400 0.123 0.000 2.934 379 D HA 0.333 4.973 4.640 0.000 0.000 0.230 379 D C 0.959 177.331 176.300 0.119 0.000 1.204 379 D CA -0.234 53.827 54.000 0.101 0.000 0.873 379 D CB 1.955 42.815 40.800 0.099 0.000 1.645 379 D HN 0.049 nan 8.370 nan 0.000 0.502 380 T N 0.641 115.255 114.554 0.101 0.000 2.822 380 T HA -0.178 4.172 4.350 0.000 0.000 0.270 380 T C 1.281 176.043 174.700 0.104 0.000 1.064 380 T CA 1.207 63.366 62.100 0.099 0.000 1.131 380 T CB -0.009 68.910 68.868 0.086 0.000 0.858 380 T HN 0.448 nan 8.240 nan 0.000 0.483 381 Q N 0.502 120.373 119.800 0.118 0.000 2.211 381 Q HA 0.276 4.616 4.340 0.000 0.000 0.231 381 Q C 0.469 176.556 176.000 0.145 0.000 0.865 381 Q CA -0.210 55.669 55.803 0.127 0.000 0.997 381 Q CB 0.484 29.313 28.738 0.151 0.000 1.101 381 Q HN 0.275 nan 8.270 nan 0.000 0.468 382 R N -0.721 119.874 120.500 0.159 0.000 3.208 382 R HA 0.276 4.616 4.340 0.000 0.000 0.143 382 R C 1.102 177.510 176.300 0.179 0.000 0.859 382 R CA -0.533 55.699 56.100 0.219 0.000 0.568 382 R CB -1.009 29.484 30.300 0.322 0.000 0.945 382 R HN -0.015 nan 8.270 nan 0.000 0.368 383 Y N 1.940 122.392 120.300 0.253 0.000 2.242 383 Y HA -0.032 4.518 4.550 0.000 0.000 0.291 383 Y C 0.707 176.718 175.900 0.186 0.000 1.137 383 Y CA 1.363 59.615 58.100 0.255 0.000 1.181 383 Y CB -0.010 38.702 38.460 0.420 0.000 0.989 383 Y HN 0.476 nan 8.280 nan 0.000 0.527 384 N N 0.599 119.489 118.700 0.317 0.000 2.482 384 N HA -0.209 4.531 4.740 0.000 0.000 0.288 384 N C -0.045 175.588 175.510 0.205 0.000 1.319 384 N CA 0.990 54.169 53.050 0.215 0.000 0.671 384 N CB -1.070 37.509 38.487 0.153 0.000 0.911 384 N HN 0.705 nan 8.380 nan 0.000 0.531 385 I N -0.145 120.549 120.570 0.208 0.000 4.338 385 I HA 0.136 4.306 4.170 0.000 0.000 0.329 385 I C 1.665 177.893 176.117 0.186 0.000 1.378 385 I CA -0.678 60.724 61.300 0.170 0.000 1.170 385 I CB -0.011 38.052 38.000 0.105 0.000 1.206 385 I HN 0.249 nan 8.210 nan 0.000 0.432 386 L N 2.082 123.422 121.223 0.195 0.000 1.978 386 L HA -0.265 4.075 4.340 0.000 0.000 0.218 386 L C 2.509 179.586 176.870 0.346 0.000 1.075 386 L CA 3.019 57.990 54.840 0.218 0.000 0.767 386 L CB -0.390 41.758 42.059 0.148 0.000 0.890 386 L HN 0.614 nan 8.230 nan 0.000 0.434 387 E N 0.164 120.594 120.200 0.384 0.000 2.021 387 E HA -0.347 4.003 4.350 0.000 0.000 0.200 387 E C 2.007 178.711 176.600 0.172 0.000 1.015 387 E CA 2.109 58.718 56.400 0.349 0.000 0.824 387 E CB -0.365 29.453 29.700 0.196 0.000 0.762 387 E HN 0.511 nan 8.360 nan 0.000 0.454 388 E N -0.292 119.994 120.200 0.142 0.000 2.130 388 E HA -0.200 4.150 4.350 0.000 0.000 0.196 388 E C 1.980 178.680 176.600 0.166 0.000 0.998 388 E CA 1.570 58.036 56.400 0.110 0.000 0.806 388 E CB 0.024 29.794 29.700 0.116 0.000 0.738 388 E HN 0.282 nan 8.360 nan 0.000 0.459 389 V N 0.122 120.190 119.914 0.257 0.000 2.970 389 V HA -0.077 4.043 4.120 0.000 0.000 0.260 389 V C 2.048 178.321 176.094 0.297 0.000 1.100 389 V CA 1.482 64.008 62.300 0.376 0.000 1.122 389 V CB -0.063 31.958 31.823 0.330 0.000 0.721 389 V HN 0.476 nan 8.190 nan 0.000 0.483 390 G N -0.296 108.641 108.800 0.228 0.000 2.437 390 G HA2 -0.087 3.873 3.960 0.000 0.000 0.212 390 G HA3 -0.087 3.873 3.960 0.000 0.000 0.212 390 G C 1.696 176.608 174.900 0.019 0.000 1.174 390 G CA 0.075 45.294 45.100 0.199 0.000 0.811 390 G HN 0.349 nan 8.290 nan 0.000 0.537 391 R N 0.365 120.821 120.500 -0.073 0.000 2.096 391 R HA -0.036 4.304 4.340 0.000 0.000 0.240 391 R C 2.158 178.341 176.300 -0.195 0.000 1.139 391 R CA 1.108 57.114 56.100 -0.157 0.000 0.952 391 R CB -0.253 29.962 30.300 -0.142 0.000 0.854 391 R HN 0.198 nan 8.270 nan 0.000 0.436 392 R N 0.013 120.344 120.500 -0.283 0.000 2.340 392 R HA 0.069 4.409 4.340 0.000 0.000 0.215 392 R C 1.170 177.166 176.300 -0.507 0.000 1.017 392 R CA 0.394 56.095 56.100 -0.665 0.000 1.111 392 R CB 0.154 29.617 30.300 -1.393 0.000 1.049 392 R HN 0.296 nan 8.270 nan 0.000 0.490 393 M N -1.685 117.850 119.600 -0.110 0.000 2.289 393 M HA 0.147 4.627 4.480 0.000 0.000 0.335 393 M C 0.893 177.229 176.300 0.059 0.000 0.961 393 M CA 0.305 55.685 55.300 0.133 0.000 1.018 393 M CB 1.462 34.213 32.600 0.251 0.000 1.678 393 M HN 0.407 nan 8.290 nan 0.000 0.589 394 G N 1.230 110.006 108.800 -0.040 0.000 4.391 394 G HA2 -0.244 3.716 3.960 0.000 0.000 0.210 394 G HA3 -0.244 3.716 3.960 0.000 0.000 0.210 394 G C -0.136 174.725 174.900 -0.065 0.000 1.547 394 G CA -0.362 44.709 45.100 -0.048 0.000 1.103 394 G HN 0.184 nan 8.290 nan 0.000 0.637 395 L N 1.889 123.106 121.223 -0.009 0.000 4.459 395 L HA -0.080 4.260 4.340 0.000 0.000 0.554 395 L C 0.954 177.726 176.870 -0.163 0.000 1.098 395 L CA 1.358 56.194 54.840 -0.007 0.000 0.521 395 L CB -0.490 41.642 42.059 0.121 0.000 0.599 395 L HN 0.704 nan 8.230 nan 0.000 1.090 396 E N 1.994 122.111 120.200 -0.137 0.000 3.057 396 E HA -0.004 4.346 4.350 0.000 0.000 0.314 396 E C 1.380 177.664 176.600 -0.526 0.000 1.433 396 E CA 0.470 56.728 56.400 -0.235 0.000 1.546 396 E CB -0.375 29.275 29.700 -0.084 0.000 1.224 396 E HN 0.631 nan 8.360 nan 0.000 0.483 397 T N 0.963 114.977 114.554 -0.901 0.000 2.856 397 T HA -0.251 4.099 4.350 0.000 0.000 0.260 397 T C 0.954 174.935 174.700 -1.199 0.000 1.043 397 T CA 1.507 62.661 62.100 -1.577 0.000 1.155 397 T CB -0.344 67.752 68.868 -1.288 0.000 0.825 397 T HN 0.548 nan 8.240 nan 0.000 0.503 398 H N -0.258 118.579 119.070 -0.389 0.000 2.517 398 H HA 0.270 4.826 4.556 0.000 0.000 0.282 398 H C 0.281 175.595 175.328 -0.024 0.000 1.023 398 H CA 0.191 56.142 56.048 -0.161 0.000 1.169 398 H CB 0.126 29.821 29.762 -0.112 0.000 1.454 398 H HN 0.202 nan 8.280 nan 0.000 0.556 399 T N 3.284 117.878 114.554 0.066 0.000 3.064 399 T HA 0.116 4.466 4.350 0.000 0.000 0.367 399 T C 1.371 176.246 174.700 0.291 0.000 1.202 399 T CA -0.470 61.722 62.100 0.152 0.000 1.133 399 T CB 1.249 70.176 68.868 0.098 0.000 1.074 399 T HN -0.038 nan 8.240 nan 0.000 0.519 400 L N 2.324 123.732 121.223 0.308 0.000 2.011 400 L HA -0.252 4.088 4.340 0.000 0.000 0.225 400 L C 2.755 179.735 176.870 0.184 0.000 1.084 400 L CA 2.530 57.541 54.840 0.286 0.000 0.791 400 L CB -1.514 40.644 42.059 0.163 0.000 0.898 400 L HN 0.736 nan 8.230 nan 0.000 0.440 401 A N -0.526 122.375 122.820 0.135 0.000 2.139 401 A HA -0.210 4.110 4.320 0.000 0.000 0.221 401 A C 2.310 179.957 177.584 0.105 0.000 1.159 401 A CA 1.794 53.887 52.037 0.093 0.000 0.662 401 A CB -0.660 18.385 19.000 0.076 0.000 0.796 401 A HN 0.683 nan 8.150 nan 0.000 0.463 402 S N -0.757 115.048 115.700 0.175 0.000 2.515 402 S HA 0.081 4.551 4.470 0.000 0.000 0.231 402 S C 0.944 175.646 174.600 0.169 0.000 0.987 402 S CA 0.699 59.010 58.200 0.184 0.000 0.936 402 S CB -0.642 62.700 63.200 0.236 0.000 0.766 402 S HN 0.854 nan 8.310 nan 0.000 0.528 403 L N 0.100 121.384 121.223 0.101 0.000 4.232 403 L HA -0.173 4.167 4.340 0.000 0.000 0.415 403 L C 1.635 178.497 176.870 -0.013 0.000 1.168 403 L CA 1.003 55.833 54.840 -0.017 0.000 0.966 403 L CB -2.673 39.391 42.059 0.008 0.000 2.052 403 L HN 0.776 nan 8.230 nan 0.000 0.887 404 W N 0.169 121.475 121.300 0.011 0.000 2.402 404 W HA -0.121 4.539 4.660 0.000 0.000 0.286 404 W C 1.764 178.292 176.519 0.014 0.000 1.221 404 W CA 1.120 58.470 57.345 0.009 0.000 1.257 404 W CB -0.793 28.662 29.460 -0.008 0.000 1.120 404 W HN 0.236 nan 8.180 nan 0.000 0.551 405 K N 1.067 120.838 120.400 -1.048 0.000 2.057 405 K HA -0.170 4.150 4.320 0.000 0.000 0.207 405 K C 1.535 177.921 176.600 -0.356 0.000 1.049 405 K CA 2.362 58.089 56.287 -0.933 0.000 0.931 405 K CB -0.365 31.480 32.500 -1.091 0.000 0.714 405 K HN 0.040 nan 8.250 nan 0.000 0.440 406 D N 0.010 120.252 120.400 -0.264 0.000 2.117 406 D HA -0.110 4.530 4.640 0.000 0.000 0.197 406 D C 2.029 178.293 176.300 -0.059 0.000 0.987 406 D CA 1.048 54.970 54.000 -0.130 0.000 0.829 406 D CB 0.084 40.829 40.800 -0.091 0.000 0.961 406 D HN 0.089 nan 8.370 nan 0.000 0.460 407 R N 0.517 121.008 120.500 -0.015 0.000 2.062 407 R HA -0.017 4.323 4.340 0.000 0.000 0.231 407 R C 2.314 178.636 176.300 0.037 0.000 1.136 407 R CA 1.122 57.245 56.100 0.039 0.000 0.948 407 R CB -0.494 29.863 30.300 0.095 0.000 0.845 407 R HN 0.154 nan 8.270 nan 0.000 0.430 408 A N 1.028 123.886 122.820 0.064 0.000 1.849 408 A HA -0.183 4.137 4.320 0.000 0.000 0.217 408 A C 2.406 179.991 177.584 0.002 0.000 1.202 408 A CA 2.063 54.143 52.037 0.072 0.000 0.629 408 A CB -1.004 18.101 19.000 0.174 0.000 0.834 408 A HN 0.137 nan 8.150 nan 0.000 0.447 409 V N 0.068 119.970 119.914 -0.021 0.000 2.317 409 V HA -0.312 3.808 4.120 0.000 0.000 0.251 409 V C 2.717 178.776 176.094 -0.058 0.000 1.065 409 V CA 2.629 64.905 62.300 -0.040 0.000 1.049 409 V CB -1.525 30.254 31.823 -0.073 0.000 0.651 409 V HN 0.679 nan 8.190 nan 0.000 0.450 410 T N -0.832 113.692 114.554 -0.051 0.000 2.746 410 T HA -0.153 4.197 4.350 0.000 0.000 0.267 410 T C 1.871 176.524 174.700 -0.078 0.000 1.039 410 T CA 1.344 63.416 62.100 -0.046 0.000 1.142 410 T CB -0.236 68.628 68.868 -0.007 0.000 0.866 410 T HN 0.471 nan 8.240 nan 0.000 0.444 411 E N 1.112 121.251 120.200 -0.102 0.000 2.047 411 E HA -0.005 4.345 4.350 0.000 0.000 0.191 411 E C 2.284 178.666 176.600 -0.362 0.000 0.987 411 E CA 0.684 56.965 56.400 -0.200 0.000 0.799 411 E CB -0.507 29.058 29.700 -0.225 0.000 0.752 411 E HN 0.510 nan 8.360 nan 0.000 0.449 412 I N 1.869 122.276 120.570 -0.271 0.000 2.236 412 I HA -0.308 3.862 4.170 0.000 0.000 0.249 412 I C 1.969 178.027 176.117 -0.098 0.000 1.102 412 I CA 0.996 62.186 61.300 -0.183 0.000 1.365 412 I CB -0.349 37.666 38.000 0.025 0.000 1.051 412 I HN 0.077 nan 8.210 nan 0.000 0.420 413 N N 0.279 118.913 118.700 -0.109 0.000 2.331 413 N HA -0.078 4.662 4.740 0.000 0.000 0.180 413 N C 1.873 177.324 175.510 -0.099 0.000 1.019 413 N CA 1.065 54.059 53.050 -0.094 0.000 0.881 413 N CB 0.097 38.523 38.487 -0.103 0.000 0.972 413 N HN 0.233 nan 8.380 nan 0.000 0.435 414 V N 1.402 121.208 119.914 -0.180 0.000 2.453 414 V HA -0.102 4.018 4.120 0.000 0.000 0.247 414 V C 2.499 178.472 176.094 -0.202 0.000 1.048 414 V CA 1.482 63.659 62.300 -0.204 0.000 1.049 414 V CB -0.910 30.715 31.823 -0.330 0.000 0.672 414 V HN 0.193 nan 8.190 nan 0.000 0.457 415 A N 0.673 123.301 122.820 -0.320 0.000 1.834 415 A HA -0.199 4.121 4.320 0.000 0.000 0.216 415 A C 2.390 180.037 177.584 0.104 0.000 1.203 415 A CA 2.472 54.434 52.037 -0.125 0.000 0.621 415 A CB -1.051 17.909 19.000 -0.067 0.000 0.841 415 A HN 0.306 nan 8.150 nan 0.000 0.446 416 V N -0.542 119.455 119.914 0.139 0.000 2.380 416 V HA -0.264 3.856 4.120 0.000 0.000 0.251 416 V C 2.538 178.740 176.094 0.179 0.000 1.063 416 V CA 2.093 64.511 62.300 0.196 0.000 1.055 416 V CB -0.841 31.025 31.823 0.071 0.000 0.657 416 V HN 0.481 nan 8.190 nan 0.000 0.455 417 L N -0.822 120.443 121.223 0.070 0.000 2.023 417 L HA -0.117 4.223 4.340 0.000 0.000 0.205 417 L C 2.477 179.438 176.870 0.152 0.000 1.073 417 L CA 2.228 57.105 54.840 0.062 0.000 0.745 417 L CB -0.884 41.188 42.059 0.021 0.000 0.900 417 L HN 0.445 nan 8.230 nan 0.000 0.435 418 H N -1.238 117.837 119.070 0.008 0.000 2.251 418 H HA -0.220 4.336 4.556 0.000 0.000 0.294 418 H C 2.248 177.613 175.328 0.062 0.000 1.078 418 H CA 1.696 57.752 56.048 0.014 0.000 1.246 418 H CB 0.236 29.980 29.762 -0.031 0.000 1.358 418 H HN 0.311 nan 8.280 nan 0.000 0.488 419 S N 0.392 116.083 115.700 -0.016 0.000 2.369 419 S HA -0.218 4.252 4.470 0.000 0.000 0.225 419 S C 1.921 176.511 174.600 -0.017 0.000 1.043 419 S CA 1.827 59.958 58.200 -0.115 0.000 1.074 419 S CB -0.725 62.450 63.200 -0.042 0.000 0.962 419 S HN 0.327 nan 8.310 nan 0.000 0.433 420 F N 1.861 121.776 119.950 -0.057 0.000 2.091 420 F HA -0.190 4.337 4.527 0.000 0.000 0.299 420 F C 2.749 178.525 175.800 -0.039 0.000 1.103 420 F CA 1.476 59.449 58.000 -0.046 0.000 1.228 420 F CB -0.834 38.142 39.000 -0.039 0.000 0.984 420 F HN 0.248 nan 8.300 nan 0.000 0.477 421 Q N -0.018 119.891 119.800 0.182 0.000 2.030 421 Q HA -0.277 4.064 4.340 0.000 0.000 0.204 421 Q C 2.249 178.285 176.000 0.060 0.000 0.986 421 Q CA 2.018 57.883 55.803 0.104 0.000 0.843 421 Q CB -0.332 28.472 28.738 0.110 0.000 0.904 421 Q HN 0.370 nan 8.270 nan 0.000 0.420 422 K N 0.988 121.409 120.400 0.036 0.000 1.977 422 K HA -0.225 4.095 4.320 0.000 0.000 0.218 422 K C 1.735 178.317 176.600 -0.031 0.000 1.051 422 K CA 1.785 58.066 56.287 -0.012 0.000 0.953 422 K CB -0.029 32.390 32.500 -0.134 0.000 0.727 422 K HN 0.156 nan 8.250 nan 0.000 0.445 423 Q N 0.921 120.680 119.800 -0.069 0.000 2.547 423 Q HA -0.019 4.321 4.340 0.000 0.000 0.217 423 Q C -0.612 175.359 176.000 -0.049 0.000 0.978 423 Q CA 0.085 55.842 55.803 -0.077 0.000 0.962 423 Q CB -0.188 28.468 28.738 -0.136 0.000 0.990 423 Q HN 0.328 nan 8.270 nan 0.000 0.538 424 N N 0.010 118.702 118.700 -0.014 0.000 2.696 424 N HA -0.146 4.594 4.740 0.000 0.000 0.256 424 N C -1.609 173.910 175.510 0.014 0.000 1.031 424 N CA 0.567 53.617 53.050 -0.000 0.000 0.730 424 N CB -1.012 37.468 38.487 -0.013 0.000 0.894 424 N HN 0.012 nan 8.380 nan 0.000 0.544 425 V N 1.213 121.171 119.914 0.074 0.000 2.380 425 V HA 0.164 4.284 4.120 0.000 0.000 0.286 425 V C 0.585 176.793 176.094 0.190 0.000 1.015 425 V CA -0.705 61.687 62.300 0.154 0.000 0.834 425 V CB 1.791 33.737 31.823 0.206 0.000 1.009 425 V HN 0.308 nan 8.190 nan 0.000 0.428 426 T N 6.682 121.242 114.554 0.009 0.000 2.419 426 T HA -0.010 4.340 4.350 0.000 0.000 0.229 426 T C -0.178 174.392 174.700 -0.217 0.000 1.095 426 T CA 1.376 63.357 62.100 -0.198 0.000 1.402 426 T CB -0.507 68.138 68.868 -0.371 0.000 1.078 426 T HN 0.526 nan 8.240 nan 0.000 0.485 427 I N 2.773 123.207 120.570 -0.226 0.000 3.145 427 I HA 0.732 4.902 4.170 0.000 0.000 0.313 427 I C -0.942 175.076 176.117 -0.165 0.000 1.122 427 I CA -1.655 59.501 61.300 -0.240 0.000 0.987 427 I CB 2.314 40.048 38.000 -0.444 0.000 1.236 427 I HN 0.521 nan 8.210 nan 0.000 0.453 428 M N 4.157 123.727 119.600 -0.049 0.000 2.213 428 M HA 0.302 4.782 4.480 0.000 0.000 0.286 428 M C -1.715 174.611 176.300 0.043 0.000 1.008 428 M CA -0.651 54.670 55.300 0.036 0.000 0.937 428 M CB 1.472 34.189 32.600 0.195 0.000 1.600 428 M HN 0.588 nan 8.290 nan 0.000 0.450 429 D N 2.928 123.355 120.400 0.044 0.000 2.424 429 D HA -0.010 4.630 4.640 0.000 0.000 0.244 429 D C 1.292 177.644 176.300 0.086 0.000 1.134 429 D CA -0.011 54.043 54.000 0.089 0.000 0.881 429 D CB 0.613 41.460 40.800 0.078 0.000 1.191 429 D HN 0.668 nan 8.370 nan 0.000 0.445 430 H N 2.182 121.198 119.070 -0.090 0.000 2.422 430 H HA -0.215 4.341 4.556 0.000 0.000 0.298 430 H C 0.992 176.242 175.328 -0.131 0.000 1.098 430 H CA 1.624 57.587 56.048 -0.142 0.000 1.315 430 H CB -0.698 28.921 29.762 -0.237 0.000 1.382 430 H HN 0.614 nan 8.280 nan 0.000 0.523 431 H N 0.989 119.745 119.070 -0.523 0.000 2.387 431 H HA -0.067 4.489 4.556 0.000 0.000 0.299 431 H C 2.217 177.480 175.328 -0.108 0.000 1.090 431 H CA 2.325 58.176 56.048 -0.329 0.000 1.332 431 H CB -0.146 29.413 29.762 -0.337 0.000 1.386 431 H HN 0.669 nan 8.280 nan 0.000 0.516 432 T N -1.948 112.638 114.554 0.054 0.000 3.043 432 T HA 0.231 4.581 4.350 0.000 0.000 0.263 432 T C 2.218 176.974 174.700 0.093 0.000 1.094 432 T CA 0.587 62.728 62.100 0.069 0.000 1.127 432 T CB -0.088 68.816 68.868 0.061 0.000 0.905 432 T HN 0.271 nan 8.240 nan 0.000 0.490 433 A N 1.542 124.415 122.820 0.089 0.000 1.897 433 A HA 0.115 4.435 4.320 0.000 0.000 0.215 433 A C 2.675 180.347 177.584 0.146 0.000 1.181 433 A CA 1.521 53.632 52.037 0.123 0.000 0.620 433 A CB -1.037 18.025 19.000 0.103 0.000 0.821 433 A HN 0.474 nan 8.150 nan 0.000 0.443 434 S N -0.378 115.389 115.700 0.112 0.000 2.355 434 S HA -0.140 4.330 4.470 0.000 0.000 0.222 434 S C 1.931 176.651 174.600 0.200 0.000 1.031 434 S CA 1.360 59.655 58.200 0.157 0.000 0.993 434 S CB -0.313 62.950 63.200 0.105 0.000 0.859 434 S HN 0.641 nan 8.310 nan 0.000 0.453 435 E N 0.646 120.931 120.200 0.142 0.000 2.085 435 E HA -0.150 4.200 4.350 0.000 0.000 0.194 435 E C 2.223 178.903 176.600 0.132 0.000 0.994 435 E CA 1.278 57.751 56.400 0.122 0.000 0.801 435 E CB -0.387 29.364 29.700 0.085 0.000 0.743 435 E HN 0.418 nan 8.360 nan 0.000 0.453 436 S N 0.133 115.923 115.700 0.150 0.000 2.399 436 S HA -0.156 4.314 4.470 0.000 0.000 0.231 436 S C 1.687 176.408 174.600 0.203 0.000 1.022 436 S CA 0.734 59.027 58.200 0.156 0.000 0.983 436 S CB -0.265 63.034 63.200 0.165 0.000 0.803 436 S HN 0.287 nan 8.310 nan 0.000 0.480 437 F N 2.309 122.325 119.950 0.111 0.000 2.084 437 F HA -0.007 4.520 4.527 0.000 0.000 0.296 437 F C 2.132 178.024 175.800 0.153 0.000 1.111 437 F CA 1.610 59.695 58.000 0.142 0.000 1.224 437 F CB -0.519 38.549 39.000 0.113 0.000 0.991 437 F HN 0.148 nan 8.300 nan 0.000 0.471 438 M N 0.447 120.064 119.600 0.028 0.000 2.089 438 M HA -0.270 4.210 4.480 0.000 0.000 0.257 438 M C 2.208 178.441 176.300 -0.110 0.000 1.071 438 M CA 2.085 57.347 55.300 -0.063 0.000 1.096 438 M CB -1.388 31.255 32.600 0.071 0.000 1.330 438 M HN 0.148 nan 8.290 nan 0.000 0.403 439 K N 0.305 120.690 120.400 -0.025 0.000 1.977 439 K HA -0.258 4.062 4.320 0.000 0.000 0.218 439 K C 1.934 178.502 176.600 -0.054 0.000 1.051 439 K CA 2.450 58.729 56.287 -0.012 0.000 0.953 439 K CB -1.144 31.379 32.500 0.038 0.000 0.727 439 K HN 0.400 nan 8.250 nan 0.000 0.445 440 H N -0.008 118.984 119.070 -0.130 0.000 2.325 440 H HA -0.201 4.355 4.556 0.000 0.000 0.293 440 H C 2.064 177.245 175.328 -0.245 0.000 1.106 440 H CA 2.784 58.737 56.048 -0.158 0.000 1.247 440 H CB -0.369 29.300 29.762 -0.155 0.000 1.359 440 H HN 0.378 nan 8.280 nan 0.000 0.488 441 M N -0.119 119.093 119.600 -0.647 0.000 2.080 441 M HA -0.278 4.202 4.480 0.000 0.000 0.260 441 M C 2.316 178.480 176.300 -0.226 0.000 1.068 441 M CA 2.232 57.201 55.300 -0.553 0.000 1.109 441 M CB -0.093 32.247 32.600 -0.433 0.000 1.342 441 M HN 0.493 nan 8.290 nan 0.000 0.405 442 Q N 0.222 119.936 119.800 -0.144 0.000 1.985 442 Q HA -0.227 4.113 4.340 0.000 0.000 0.207 442 Q C 1.680 177.644 176.000 -0.060 0.000 0.996 442 Q CA 2.146 57.917 55.803 -0.053 0.000 0.851 442 Q CB -0.508 28.202 28.738 -0.047 0.000 0.921 442 Q HN 0.617 nan 8.270 nan 0.000 0.418 443 N N 0.506 119.148 118.700 -0.097 0.000 2.149 443 N HA -0.209 4.531 4.740 0.000 0.000 0.188 443 N C 1.675 177.108 175.510 -0.128 0.000 1.019 443 N CA 1.327 54.335 53.050 -0.071 0.000 0.857 443 N CB -0.201 38.277 38.487 -0.015 0.000 0.997 443 N HN 0.245 nan 8.380 nan 0.000 0.426 444 E N 0.307 120.334 120.200 -0.288 0.000 2.106 444 E HA -0.070 4.280 4.350 0.000 0.000 0.192 444 E C 1.584 178.025 176.600 -0.263 0.000 0.984 444 E CA 0.937 57.113 56.400 -0.373 0.000 0.806 444 E CB -0.184 29.107 29.700 -0.681 0.000 0.750 444 E HN 0.428 nan 8.360 nan 0.000 0.458 445 Y N -0.542 119.651 120.300 -0.178 0.000 2.286 445 Y HA -0.065 4.485 4.550 0.000 0.000 0.293 445 Y C 2.384 178.235 175.900 -0.082 0.000 1.124 445 Y CA 1.355 59.392 58.100 -0.105 0.000 1.178 445 Y CB 0.048 38.457 38.460 -0.085 0.000 1.010 445 Y HN -0.028 nan 8.280 nan 0.000 0.536 446 R N 0.772 121.312 120.500 0.067 0.000 2.075 446 R HA -0.099 4.241 4.340 0.000 0.000 0.232 446 R C 2.161 178.456 176.300 -0.008 0.000 1.126 446 R CA 1.564 57.678 56.100 0.023 0.000 0.963 446 R CB -0.799 29.504 30.300 0.005 0.000 0.858 446 R HN 0.200 nan 8.270 nan 0.000 0.435 447 A N 1.132 123.926 122.820 -0.042 0.000 1.845 447 A HA -0.141 4.179 4.320 0.000 0.000 0.215 447 A C 1.621 179.166 177.584 -0.064 0.000 1.195 447 A CA 1.854 53.856 52.037 -0.057 0.000 0.616 447 A CB -0.321 18.625 19.000 -0.089 0.000 0.832 447 A HN 0.560 nan 8.150 nan 0.000 0.443 448 R N -2.004 118.438 120.500 -0.096 0.000 2.616 448 R HA 0.421 4.761 4.340 0.000 0.000 0.427 448 R C 0.552 176.810 176.300 -0.070 0.000 1.030 448 R CA 0.144 56.195 56.100 -0.082 0.000 1.133 448 R CB -0.708 29.527 30.300 -0.108 0.000 1.444 448 R HN 0.839 nan 8.270 nan 0.000 0.578 449 G N 0.472 109.251 108.800 -0.035 0.000 2.296 449 G HA2 0.094 4.054 3.960 0.000 0.000 0.263 449 G HA3 0.094 4.054 3.960 0.000 0.000 0.263 449 G C 0.268 175.139 174.900 -0.050 0.000 0.887 449 G CA 0.354 45.486 45.100 0.054 0.000 1.318 449 G HN 0.924 nan 8.290 nan 0.000 0.403 450 G N -1.498 107.023 108.800 -0.465 0.000 2.321 450 G HA2 0.537 4.497 3.960 0.000 0.000 0.339 450 G HA3 0.537 4.497 3.960 0.000 0.000 0.339 450 G C -0.557 173.842 174.900 -0.834 0.000 1.518 450 G CA 0.282 44.986 45.100 -0.661 0.000 0.994 450 G HN 2.332 nan 8.290 nan 0.000 0.668 451 C N 2.824 121.761 119.300 -0.604 0.000 3.080 451 C HA 0.585 5.045 4.460 0.000 0.000 0.388 451 C C -2.522 172.325 174.990 -0.238 0.000 1.079 451 C CA -0.964 57.808 59.018 -0.410 0.000 1.289 451 C CB 0.785 28.232 27.740 -0.489 0.000 1.702 451 C HN 0.793 nan 8.230 nan 0.000 0.516 452 P HA 0.351 nan 4.420 nan 0.000 0.263 452 P C -0.535 176.668 177.300 -0.161 0.000 1.195 452 P CA 0.772 63.544 63.100 -0.546 0.000 0.762 452 P CB 0.824 32.150 31.700 -0.624 0.000 0.799 453 A N 2.696 125.473 122.820 -0.073 0.000 2.466 453 A HA 0.311 4.631 4.320 0.000 0.000 0.284 453 A C -0.859 176.778 177.584 0.088 0.000 1.049 453 A CA -0.589 51.493 52.037 0.075 0.000 0.760 453 A CB 0.976 20.122 19.000 0.243 0.000 1.274 453 A HN 0.449 nan 8.150 nan 0.000 0.412 454 D N 2.615 123.053 120.400 0.064 0.000 2.441 454 D HA 0.100 4.740 4.640 0.000 0.000 0.221 454 D C 0.927 177.355 176.300 0.213 0.000 1.156 454 D CA -0.437 53.636 54.000 0.121 0.000 0.896 454 D CB 0.249 41.069 40.800 0.033 0.000 1.028 454 D HN 0.610 nan 8.370 nan 0.000 0.509 455 W N 4.814 126.147 121.300 0.056 0.000 2.301 455 W HA -0.262 4.398 4.660 0.000 0.000 0.325 455 W C 1.864 178.414 176.519 0.051 0.000 1.250 455 W CA 1.418 58.782 57.345 0.032 0.000 1.261 455 W CB -0.255 29.201 29.460 -0.008 0.000 1.157 455 W HN 0.477 nan 8.180 nan 0.000 0.473 456 I N -0.738 120.094 120.570 0.437 0.000 2.479 456 I HA -0.330 3.840 4.170 0.000 0.000 0.258 456 I C 1.567 177.720 176.117 0.061 0.000 1.165 456 I CA 1.554 63.021 61.300 0.278 0.000 1.422 456 I CB -0.625 37.590 38.000 0.359 0.000 1.087 456 I HN 0.202 nan 8.210 nan 0.000 0.441 457 W N -0.439 120.794 121.300 -0.113 0.000 2.792 457 W HA 0.188 4.848 4.660 0.000 0.000 0.262 457 W C 2.107 178.484 176.519 -0.237 0.000 1.212 457 W CA -0.048 57.206 57.345 -0.152 0.000 1.433 457 W CB -0.273 29.125 29.460 -0.104 0.000 1.004 457 W HN -0.109 nan 8.180 nan 0.000 0.608 458 L N 0.042 121.193 121.223 -0.119 0.000 2.395 458 L HA 0.048 4.388 4.340 0.000 0.000 0.218 458 L C 0.436 177.096 176.870 -0.351 0.000 1.130 458 L CA 0.334 54.998 54.840 -0.294 0.000 0.826 458 L CB -0.529 41.269 42.059 -0.435 0.000 0.941 458 L HN -0.383 nan 8.230 nan 0.000 0.451 459 V N 0.967 120.593 119.914 -0.479 0.000 2.432 459 V HA 0.215 4.335 4.120 0.000 0.000 0.275 459 V C -1.865 174.038 176.094 -0.319 0.000 1.043 459 V CA -1.589 60.427 62.300 -0.473 0.000 0.925 459 V CB 0.890 32.182 31.823 -0.884 0.000 0.985 459 V HN 0.016 nan 8.190 nan 0.000 0.466 460 P HA 0.043 nan 4.420 nan 0.000 0.266 460 P C -1.719 175.470 177.300 -0.184 0.000 1.186 460 P CA -0.728 62.271 63.100 -0.169 0.000 0.767 460 P CB 0.077 31.735 31.700 -0.070 0.000 0.820 461 P HA -0.068 nan 4.420 nan 0.000 0.225 461 P C -0.082 177.125 177.300 -0.155 0.000 1.148 461 P CA 1.147 64.134 63.100 -0.189 0.000 0.779 461 P CB 0.174 31.749 31.700 -0.208 0.000 0.780 462 V N -6.116 113.693 119.914 -0.175 0.000 2.971 462 V HA 0.553 4.673 4.120 0.000 0.000 0.309 462 V C 0.103 176.153 176.094 -0.073 0.000 1.130 462 V CA -1.016 61.202 62.300 -0.136 0.000 0.964 462 V CB 1.385 33.103 31.823 -0.175 0.000 1.029 462 V HN -0.083 nan 8.190 nan 0.000 0.427 463 S N 1.436 117.126 115.700 -0.018 0.000 3.706 463 S HA -0.165 4.305 4.470 0.000 0.000 0.363 463 S C 1.460 176.069 174.600 0.015 0.000 0.999 463 S CA 0.965 59.188 58.200 0.040 0.000 1.143 463 S CB -1.475 61.825 63.200 0.166 0.000 0.902 463 S HN 1.934 nan 8.310 nan 0.000 0.476 464 G N 2.429 111.211 108.800 -0.030 0.000 2.511 464 G HA2 -0.228 3.732 3.960 0.000 0.000 0.216 464 G HA3 -0.228 3.732 3.960 0.000 0.000 0.216 464 G C 1.518 176.344 174.900 -0.123 0.000 1.218 464 G CA 1.305 46.398 45.100 -0.011 0.000 0.788 464 G HN 1.167 nan 8.290 nan 0.000 0.560 465 S N 0.665 116.048 115.700 -0.528 0.000 2.419 465 S HA -0.058 4.412 4.470 0.000 0.000 0.235 465 S C 2.005 176.578 174.600 -0.046 0.000 1.019 465 S CA 0.973 58.745 58.200 -0.713 0.000 0.982 465 S CB -0.205 62.541 63.200 -0.757 0.000 0.789 465 S HN 0.186 nan 8.310 nan 0.000 0.490 466 I N 1.766 122.333 120.570 -0.004 0.000 3.444 466 I HA 0.143 4.313 4.170 0.000 0.000 0.287 466 I C 1.110 177.315 176.117 0.147 0.000 1.302 466 I CA 0.545 61.895 61.300 0.083 0.000 1.368 466 I CB -1.839 36.243 38.000 0.136 0.000 1.048 466 I HN 0.334 nan 8.210 nan 0.000 0.487 467 T N 0.530 115.182 114.554 0.163 0.000 2.950 467 T HA 0.361 4.711 4.350 0.000 0.000 0.288 467 T C -1.759 173.097 174.700 0.261 0.000 1.035 467 T CA -1.589 60.621 62.100 0.182 0.000 1.028 467 T CB 2.333 71.273 68.868 0.119 0.000 1.109 467 T HN -0.180 nan 8.240 nan 0.000 0.514 468 P HA -0.036 nan 4.420 nan 0.000 0.215 468 P C 1.660 179.169 177.300 0.349 0.000 1.157 468 P CA 0.931 64.175 63.100 0.241 0.000 0.859 468 P CB -0.203 31.599 31.700 0.170 0.000 0.786 469 V N -3.008 117.089 119.914 0.305 0.000 2.688 469 V HA -0.245 3.875 4.120 0.000 0.000 0.256 469 V C 2.049 178.347 176.094 0.340 0.000 1.084 469 V CA 1.497 63.977 62.300 0.301 0.000 1.103 469 V CB -2.000 29.928 31.823 0.175 0.000 0.688 469 V HN -0.042 nan 8.190 nan 0.000 0.480 470 F N 2.507 122.591 119.950 0.224 0.000 2.146 470 F HA -0.069 4.458 4.527 0.000 0.000 0.298 470 F C 2.141 178.190 175.800 0.415 0.000 1.096 470 F CA 2.263 60.436 58.000 0.289 0.000 1.275 470 F CB -0.384 38.667 39.000 0.085 0.000 1.008 470 F HN 0.323 nan 8.300 nan 0.000 0.480 471 H N -1.129 118.304 119.070 0.604 0.000 2.547 471 H HA 0.137 4.693 4.556 0.000 0.000 0.266 471 H C 0.366 175.837 175.328 0.238 0.000 0.988 471 H CA 0.331 56.611 56.048 0.387 0.000 1.147 471 H CB -0.394 29.569 29.762 0.335 0.000 1.365 471 H HN 0.183 nan 8.280 nan 0.000 0.589 472 Q N 2.087 122.121 119.800 0.390 0.000 2.322 472 Q HA 0.117 4.457 4.340 0.000 0.000 0.256 472 Q C -0.598 175.548 176.000 0.244 0.000 0.960 472 Q CA -0.284 55.690 55.803 0.286 0.000 0.934 472 Q CB 0.478 29.400 28.738 0.307 0.000 1.200 472 Q HN 0.363 nan 8.270 nan 0.000 0.435 473 E N 4.192 124.465 120.200 0.122 0.000 2.383 473 E HA 0.368 4.718 4.350 0.000 0.000 0.264 473 E C -0.244 176.442 176.600 0.144 0.000 1.050 473 E CA 0.030 56.465 56.400 0.059 0.000 0.896 473 E CB 0.731 30.433 29.700 0.003 0.000 0.982 473 E HN 0.694 nan 8.360 nan 0.000 0.424 474 M N 0.421 120.114 119.600 0.153 0.000 2.578 474 M HA 0.453 4.933 4.480 0.000 0.000 0.276 474 M C -1.771 174.644 176.300 0.192 0.000 1.245 474 M CA -1.126 54.308 55.300 0.223 0.000 0.871 474 M CB 1.174 33.949 32.600 0.292 0.000 1.722 474 M HN 0.202 nan 8.290 nan 0.000 0.473 475 L N 2.396 123.762 121.223 0.239 0.000 2.317 475 L HA 0.565 4.905 4.340 0.000 0.000 0.281 475 L C -0.677 176.307 176.870 0.189 0.000 1.024 475 L CA 0.024 55.024 54.840 0.266 0.000 0.810 475 L CB 1.674 43.974 42.059 0.402 0.000 1.240 475 L HN 0.795 nan 8.230 nan 0.000 0.427 476 N N 2.605 121.403 118.700 0.164 0.000 2.392 476 N HA 0.623 5.363 4.740 0.000 0.000 0.283 476 N C -1.727 173.838 175.510 0.093 0.000 1.003 476 N CA -0.304 52.745 53.050 -0.003 0.000 0.892 476 N CB 0.888 39.394 38.487 0.031 0.000 1.193 476 N HN 0.385 nan 8.380 nan 0.000 0.487 477 Y N -0.147 120.156 120.300 0.005 0.000 2.592 477 Y HA 0.520 5.070 4.550 0.000 0.000 0.334 477 Y C -1.306 174.542 175.900 -0.086 0.000 1.136 477 Y CA -1.357 56.719 58.100 -0.040 0.000 1.042 477 Y CB 0.345 38.784 38.460 -0.035 0.000 1.325 477 Y HN 0.043 nan 8.280 nan 0.000 0.457 478 V N 4.196 124.063 119.914 -0.079 0.000 2.498 478 V HA 0.392 4.512 4.120 0.000 0.000 0.279 478 V C 0.240 176.210 176.094 -0.207 0.000 1.048 478 V CA -0.220 61.821 62.300 -0.431 0.000 0.967 478 V CB 0.766 32.144 31.823 -0.741 0.000 0.988 478 V HN 0.822 nan 8.190 nan 0.000 0.473 479 L N 2.757 123.878 121.223 -0.170 0.000 2.818 479 L HA 0.805 5.145 4.340 0.000 0.000 0.230 479 L C 0.123 176.977 176.870 -0.026 0.000 2.013 479 L CA -0.489 54.347 54.840 -0.006 0.000 2.420 479 L CB 1.445 43.554 42.059 0.084 0.000 2.612 479 L HN 0.668 nan 8.230 nan 0.000 0.595 480 S N -0.450 115.281 115.700 0.053 0.000 2.578 480 S HA 0.390 4.860 4.470 0.000 0.000 0.285 480 S C -2.899 171.747 174.600 0.076 0.000 1.126 480 S CA -0.928 57.316 58.200 0.073 0.000 0.878 480 S CB 1.604 64.832 63.200 0.047 0.000 1.091 480 S HN 0.268 nan 8.310 nan 0.000 0.450 481 P HA 0.396 nan 4.420 nan 0.000 0.271 481 P C -0.895 176.410 177.300 0.008 0.000 1.238 481 P CA -0.042 63.041 63.100 -0.029 0.000 0.794 481 P CB 0.132 31.748 31.700 -0.140 0.000 0.959 482 F N -0.444 119.356 119.950 -0.250 0.000 2.703 482 F HA 0.383 4.910 4.527 0.000 0.000 0.308 482 F C -1.698 173.898 175.800 -0.341 0.000 1.126 482 F CA -0.928 56.874 58.000 -0.329 0.000 0.959 482 F CB 1.098 39.927 39.000 -0.284 0.000 1.297 482 F HN 0.099 nan 8.300 nan 0.000 0.441 483 Y N 4.393 124.223 120.300 -0.783 0.000 2.367 483 Y HA 0.463 5.013 4.550 0.000 0.000 0.342 483 Y C -0.873 174.757 175.900 -0.450 0.000 0.979 483 Y CA -0.593 57.222 58.100 -0.474 0.000 1.161 483 Y CB 0.477 38.603 38.460 -0.555 0.000 1.155 483 Y HN 0.406 nan 8.280 nan 0.000 0.503 484 Y N 1.180 121.604 120.300 0.206 0.000 2.568 484 Y HA 0.430 4.980 4.550 0.000 0.000 0.327 484 Y C -0.247 175.734 175.900 0.136 0.000 1.163 484 Y CA -1.164 57.112 58.100 0.293 0.000 1.219 484 Y CB 0.922 39.561 38.460 0.299 0.000 1.308 484 Y HN 0.455 nan 8.280 nan 0.000 0.503 485 Y N 0.446 120.902 120.300 0.260 0.000 2.453 485 Y HA 0.459 5.009 4.550 0.000 0.000 0.344 485 Y C -0.527 175.430 175.900 0.096 0.000 1.323 485 Y CA -0.673 57.494 58.100 0.111 0.000 1.526 485 Y CB 0.871 39.366 38.460 0.057 0.000 1.603 485 Y HN 0.438 nan 8.280 nan 0.000 0.563 486 Q N -0.561 119.365 119.800 0.210 0.000 2.599 486 Q HA 0.337 4.677 4.340 0.000 0.000 0.248 486 Q C -1.709 174.272 176.000 -0.032 0.000 0.964 486 Q CA -0.698 55.146 55.803 0.069 0.000 1.011 486 Q CB 0.457 29.214 28.738 0.031 0.000 1.592 486 Q HN 0.589 nan 8.270 nan 0.000 0.443 487 I N 2.263 122.793 120.570 -0.066 0.000 3.153 487 I HA -0.197 3.973 4.170 0.000 0.000 0.330 487 I C 0.588 176.520 176.117 -0.308 0.000 1.198 487 I CA 0.879 62.090 61.300 -0.149 0.000 1.475 487 I CB 0.105 38.026 38.000 -0.131 0.000 1.295 487 I HN 0.587 nan 8.210 nan 0.000 0.540 488 E N 8.953 128.878 120.200 -0.459 0.000 2.558 488 E HA -0.079 4.271 4.350 0.000 0.000 0.255 488 E C -1.282 174.706 176.600 -1.019 0.000 0.968 488 E CA -0.923 54.915 56.400 -0.936 0.000 0.939 488 E CB 0.154 29.036 29.700 -1.363 0.000 0.921 488 E HN 0.467 nan 8.360 nan 0.000 0.477 489 P HA -0.224 nan 4.420 nan 0.000 0.215 489 P C 1.208 177.931 177.300 -0.962 0.000 1.163 489 P CA 1.811 64.273 63.100 -1.063 0.000 0.894 489 P CB -0.277 30.404 31.700 -1.698 0.000 0.791 490 W N 1.247 121.974 121.300 -0.954 0.000 2.387 490 W HA -0.009 4.651 4.660 0.000 0.000 0.272 490 W C 1.895 178.476 176.519 0.102 0.000 1.224 490 W CA 0.877 58.071 57.345 -0.252 0.000 1.210 490 W CB -1.602 27.896 29.460 0.062 0.000 1.125 490 W HN -0.072 nan 8.180 nan 0.000 0.572 491 K N 0.391 120.642 120.400 -0.247 0.000 2.025 491 K HA -0.065 4.255 4.320 0.000 0.000 0.207 491 K C 0.980 177.613 176.600 0.055 0.000 1.049 491 K CA 1.866 58.141 56.287 -0.020 0.000 0.933 491 K CB -0.677 31.718 32.500 -0.174 0.000 0.714 491 K HN 0.200 nan 8.250 nan 0.000 0.438 492 T N -0.522 114.015 114.554 -0.028 0.000 3.336 492 T HA 0.245 4.595 4.350 0.000 0.000 0.384 492 T C -0.961 173.805 174.700 0.111 0.000 1.704 492 T CA -0.770 61.349 62.100 0.031 0.000 1.334 492 T CB 0.087 68.937 68.868 -0.029 0.000 1.131 492 T HN 0.155 nan 8.240 nan 0.000 0.684 493 H N 1.613 120.737 119.070 0.090 0.000 2.947 493 H HA 0.539 5.095 4.556 0.000 0.000 0.354 493 H C -1.355 174.033 175.328 0.101 0.000 1.085 493 H CA -1.265 54.810 56.048 0.045 0.000 1.253 493 H CB 0.972 30.731 29.762 -0.005 0.000 1.757 493 H HN 0.371 nan 8.280 nan 0.000 0.523 494 I N 4.827 124.988 120.570 -0.682 0.000 2.329 494 I HA 0.052 4.222 4.170 0.000 0.000 0.295 494 I C -0.407 175.293 176.117 -0.695 0.000 1.109 494 I CA 0.038 61.069 61.300 -0.447 0.000 1.297 494 I CB -0.229 37.623 38.000 -0.247 0.000 1.433 494 I HN 0.499 nan 8.210 nan 0.000 0.509 495 W N 7.116 128.214 121.300 -0.336 0.000 1.664 495 W HA 0.243 4.903 4.660 0.000 0.000 0.428 495 W C 1.044 177.532 176.519 -0.052 0.000 0.726 495 W CA -0.666 56.609 57.345 -0.116 0.000 1.774 495 W CB -0.377 29.112 29.460 0.048 0.000 1.801 495 W HN 0.501 nan 8.180 nan 0.000 0.243 496 Q N 0.000 119.844 119.800 0.074 0.000 2.315 496 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 496 Q CA 0.000 55.843 55.803 0.068 0.000 1.022 496 Q CB 0.000 28.753 28.738 0.025 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481