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 3e7g_1_A DATA FIRST_RESID 83 DATA SEQUENCE RHVRIKNWGS GMTFQDTLHH KAKGILTCRS KSCLGSIMTP KSLTRGPRDK DATA SEQUENCE PTPPDELLPQ AIEFVNQYYG SFKEAKIEEH LARVEAVTKE IETTGTYQLT DATA SEQUENCE GDELIFATKQ AWRNAPRCIG RIQWSNLQVF DARSCSTARE MFEHICRHVR DATA SEQUENCE YSTNNGNIRS AITVFPQRSD GKHDFRVWNA QLIRYAGYQM PDGSIRGDPA DATA SEQUENCE NVEFTQLCID LGWKPKYGRF DVVPLVLQAN GRDPELFEIP PDLVLEVAME DATA SEQUENCE HPKYEWFREL ELKWYALPAV ANMLLEVGGL EFPGCPFNGW YMGTEIGVRD DATA SEQUENCE FCDVQRYNIL EEVGRRMGLE THKLASLWKD QAVVEINIAV LHSFQKQNVT DATA SEQUENCE IMDHHSAAES FMKYMQNEYR SRGGCPADWI WLVPPMSGSI TPVFHQEMLN DATA SEQUENCE YVLSPFYYYQ VEAWKTHVWQ D VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 83 R HA 0.000 nan 4.340 nan 0.000 0.208 83 R C 0.000 176.591 176.300 0.485 0.000 0.893 83 R CA 0.000 56.228 56.100 0.213 0.000 0.921 83 R CB 0.000 30.368 30.300 0.114 0.000 0.687 84 H N -2.523 116.716 119.070 0.283 0.000 3.094 84 H HA 0.698 5.253 4.556 -0.001 0.000 0.335 84 H C -1.611 173.797 175.328 0.133 0.000 1.254 84 H CA -0.517 55.672 56.048 0.235 0.000 1.240 84 H CB 1.222 31.082 29.762 0.163 0.000 1.936 84 H HN 0.136 nan 8.280 nan 0.000 0.536 85 V N 3.306 123.378 119.914 0.263 0.000 2.435 85 V HA 0.425 4.544 4.120 -0.001 0.000 0.290 85 V C 0.520 176.754 176.094 0.234 0.000 1.030 85 V CA -0.818 61.542 62.300 0.100 0.000 0.881 85 V CB 1.221 32.951 31.823 -0.154 0.000 0.983 85 V HN 0.845 nan 8.190 nan 0.000 0.445 86 R N 4.480 125.095 120.500 0.192 0.000 2.298 86 R HA 0.439 4.778 4.340 -0.001 0.000 0.310 86 R C -1.200 175.133 176.300 0.055 0.000 1.068 86 R CA -0.481 55.699 56.100 0.134 0.000 0.957 86 R CB 0.622 30.989 30.300 0.112 0.000 1.003 86 R HN 0.496 nan 8.270 nan 0.000 0.454 87 I N 4.213 124.796 120.570 0.022 0.000 2.474 87 I HA 0.343 4.512 4.170 -0.001 0.000 0.294 87 I C -0.306 175.747 176.117 -0.106 0.000 1.005 87 I CA -0.585 60.725 61.300 0.017 0.000 1.113 87 I CB 1.702 39.750 38.000 0.079 0.000 1.289 87 I HN 0.645 nan 8.210 nan 0.000 0.436 88 K N 4.722 125.054 120.400 -0.113 0.000 2.371 88 K HA 0.405 4.724 4.320 -0.001 0.000 0.251 88 K C -0.986 175.469 176.600 -0.243 0.000 0.934 88 K CA -0.625 55.475 56.287 -0.311 0.000 0.798 88 K CB 1.866 34.047 32.500 -0.532 0.000 1.204 88 K HN 0.582 nan 8.250 nan 0.000 0.427 89 N N 3.314 121.835 118.700 -0.299 0.000 2.457 89 N HA 0.200 4.940 4.740 -0.001 0.000 0.250 89 N C -0.344 175.106 175.510 -0.100 0.000 0.982 89 N CA -0.650 52.361 53.050 -0.066 0.000 0.941 89 N CB 0.520 38.961 38.487 -0.076 0.000 1.120 89 N HN 0.557 nan 8.380 nan 0.000 0.505 90 W N 2.160 123.518 121.300 0.096 0.000 2.825 90 W HA 0.237 4.896 4.660 -0.001 0.000 0.243 90 W C 1.939 178.493 176.519 0.059 0.000 1.293 90 W CA -0.079 57.320 57.345 0.090 0.000 1.403 90 W CB 0.160 29.707 29.460 0.146 0.000 1.134 90 W HN 0.661 nan 8.180 nan 0.000 0.666 91 G N -0.419 108.511 108.800 0.218 0.000 2.441 91 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.212 91 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.212 91 G C 1.499 176.401 174.900 0.003 0.000 1.164 91 G CA 1.125 46.238 45.100 0.021 0.000 0.811 91 G HN 0.260 nan 8.290 nan 0.000 0.535 92 S N -1.335 114.363 115.700 -0.004 0.000 2.512 92 S HA 0.392 4.861 4.470 -0.001 0.000 0.216 92 S C 1.864 176.412 174.600 -0.086 0.000 1.006 92 S CA 1.032 59.207 58.200 -0.041 0.000 0.915 92 S CB 0.421 63.595 63.200 -0.043 0.000 0.824 92 S HN 1.470 nan 8.310 nan 0.000 0.497 93 G N 1.649 110.375 108.800 -0.124 0.000 2.212 93 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.266 93 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.266 93 G C 0.045 174.796 174.900 -0.249 0.000 0.978 93 G CA 0.483 45.468 45.100 -0.192 0.000 0.632 93 G HN 0.658 nan 8.290 nan 0.000 0.537 94 M N 1.635 121.079 119.600 -0.259 0.000 2.248 94 M HA 0.464 4.944 4.480 -0.001 0.000 0.337 94 M C 0.223 176.225 176.300 -0.497 0.000 1.121 94 M CA 0.876 55.968 55.300 -0.347 0.000 1.155 94 M CB 0.482 32.859 32.600 -0.372 0.000 1.514 94 M HN 0.164 nan 8.290 nan 0.000 0.452 95 T N 4.269 118.526 114.554 -0.495 0.000 2.924 95 T HA 0.674 5.023 4.350 -0.001 0.000 0.291 95 T C -1.287 173.099 174.700 -0.523 0.000 1.045 95 T CA -0.410 61.403 62.100 -0.478 0.000 1.015 95 T CB 1.044 69.752 68.868 -0.266 0.000 1.103 95 T HN 0.560 nan 8.240 nan 0.000 0.496 96 F N 0.755 120.544 119.950 -0.269 0.000 2.576 96 F HA 0.446 4.972 4.527 -0.001 0.000 0.313 96 F C 0.186 175.824 175.800 -0.271 0.000 1.078 96 F CA -1.224 56.534 58.000 -0.404 0.000 0.921 96 F CB 2.216 40.669 39.000 -0.912 0.000 1.232 96 F HN 0.163 nan 8.300 nan 0.000 0.459 97 Q N 2.559 122.380 119.800 0.036 0.000 2.357 97 Q HA 0.160 4.500 4.340 -0.001 0.000 0.266 97 Q C -1.534 174.576 176.000 0.183 0.000 1.021 97 Q CA -0.561 55.234 55.803 -0.013 0.000 0.784 97 Q CB 2.562 31.132 28.738 -0.280 0.000 1.243 97 Q HN 0.508 nan 8.270 nan 0.000 0.465 98 D N 1.979 122.540 120.400 0.269 0.000 2.317 98 D HA 0.130 4.770 4.640 -0.001 0.000 0.234 98 D C 0.532 177.011 176.300 0.299 0.000 1.112 98 D CA -0.009 54.205 54.000 0.358 0.000 0.840 98 D CB 1.340 42.355 40.800 0.358 0.000 1.078 98 D HN 0.612 nan 8.370 nan 0.000 0.486 99 T N 0.997 115.655 114.554 0.175 0.000 2.969 99 T HA -0.048 4.302 4.350 -0.001 0.000 0.250 99 T C 1.904 176.481 174.700 -0.204 0.000 1.021 99 T CA -0.231 61.879 62.100 0.015 0.000 1.003 99 T CB 0.015 68.949 68.868 0.111 0.000 1.040 99 T HN 0.244 nan 8.240 nan 0.000 0.492 100 L N 3.389 124.557 121.223 -0.091 0.000 2.129 100 L HA -0.148 4.192 4.340 -0.001 0.000 0.212 100 L C 2.520 179.188 176.870 -0.336 0.000 1.087 100 L CA 1.993 56.754 54.840 -0.131 0.000 0.757 100 L CB -0.971 41.069 42.059 -0.031 0.000 0.896 100 L HN 0.608 nan 8.230 nan 0.000 0.434 101 H N -2.546 116.093 119.070 -0.718 0.000 2.541 101 H HA -0.179 4.377 4.556 -0.001 0.000 0.289 101 H C 1.646 176.662 175.328 -0.520 0.000 1.054 101 H CA 1.791 57.176 56.048 -1.106 0.000 1.250 101 H CB -1.034 28.056 29.762 -1.119 0.000 1.369 101 H HN 0.607 nan 8.280 nan 0.000 0.578 102 H N 0.993 119.634 119.070 -0.716 0.000 2.462 102 H HA 0.058 4.614 4.556 -0.001 0.000 0.292 102 H C 1.743 176.934 175.328 -0.228 0.000 1.049 102 H CA 0.775 56.547 56.048 -0.461 0.000 1.334 102 H CB 0.400 29.923 29.762 -0.398 0.000 1.404 102 H HN 0.331 nan 8.280 nan 0.000 0.544 103 K N 0.721 121.074 120.400 -0.078 0.000 2.459 103 K HA 0.171 4.490 4.320 -0.001 0.000 0.193 103 K C 0.740 177.335 176.600 -0.009 0.000 1.030 103 K CA 0.016 56.289 56.287 -0.024 0.000 1.026 103 K CB 0.536 33.032 32.500 -0.007 0.000 0.809 103 K HN 0.135 nan 8.250 nan 0.000 0.504 104 A N 2.171 124.970 122.820 -0.035 0.000 2.466 104 A HA 0.023 4.343 4.320 -0.001 0.000 0.238 104 A C -0.209 177.383 177.584 0.012 0.000 1.074 104 A CA 0.123 52.171 52.037 0.019 0.000 0.774 104 A CB 0.177 19.195 19.000 0.031 0.000 1.015 104 A HN 0.138 nan 8.150 nan 0.000 0.498 105 K N 1.305 121.709 120.400 0.007 0.000 2.297 105 K HA 0.284 4.603 4.320 -0.001 0.000 0.286 105 K C 0.625 177.229 176.600 0.006 0.000 1.053 105 K CA 0.309 56.598 56.287 0.002 0.000 0.940 105 K CB 0.994 33.488 32.500 -0.009 0.000 1.019 105 K HN 0.761 nan 8.250 nan 0.000 0.475 106 G N 3.963 112.771 108.800 0.012 0.000 2.778 106 G HA2 0.194 4.153 3.960 -0.001 0.000 0.287 106 G HA3 0.194 4.153 3.960 -0.001 0.000 0.287 106 G C 0.664 175.573 174.900 0.016 0.000 0.747 106 G CA -0.113 44.998 45.100 0.018 0.000 1.961 106 G HN 0.796 nan 8.290 nan 0.000 0.539 107 I N -0.685 119.894 120.570 0.015 0.000 4.442 107 I HA 0.388 4.558 4.170 -0.001 0.000 0.331 107 I C 0.227 176.361 176.117 0.027 0.000 1.364 107 I CA -0.471 60.840 61.300 0.018 0.000 1.207 107 I CB 0.089 38.100 38.000 0.018 0.000 1.298 107 I HN 0.031 nan 8.210 nan 0.000 0.463 108 L N 2.690 123.932 121.223 0.031 0.000 2.426 108 L HA 0.167 4.506 4.340 -0.001 0.000 0.271 108 L C 1.743 178.637 176.870 0.040 0.000 1.169 108 L CA 0.182 55.046 54.840 0.040 0.000 0.836 108 L CB 1.229 43.317 42.059 0.048 0.000 1.112 108 L HN 0.322 nan 8.230 nan 0.000 0.465 109 T N -2.468 112.112 114.554 0.044 0.000 3.160 109 T HA 0.020 4.369 4.350 -0.001 0.000 0.257 109 T C 0.571 175.292 174.700 0.036 0.000 1.147 109 T CA -0.395 61.728 62.100 0.039 0.000 1.064 109 T CB -0.612 68.281 68.868 0.041 0.000 0.949 109 T HN 0.481 nan 8.240 nan 0.000 0.526 110 C N 2.716 122.039 119.300 0.039 0.000 2.576 110 C HA 0.554 5.014 4.460 -0.001 0.000 0.401 110 C C 1.119 176.127 174.990 0.030 0.000 1.314 110 C CA -0.948 58.092 59.018 0.035 0.000 1.855 110 C CB -0.749 27.014 27.740 0.040 0.000 2.537 110 C HN 0.588 nan 8.230 nan 0.000 0.578 111 R N 1.494 122.009 120.500 0.024 0.000 2.981 111 R HA 0.401 4.741 4.340 -0.001 0.000 0.228 111 R C 1.340 177.650 176.300 0.017 0.000 1.421 111 R CA -0.276 55.836 56.100 0.021 0.000 1.073 111 R CB 0.564 30.875 30.300 0.018 0.000 1.568 111 R HN 0.730 nan 8.270 nan 0.000 0.514 112 S N -0.270 115.439 115.700 0.015 0.000 2.470 112 S HA 0.009 4.478 4.470 -0.001 0.000 0.225 112 S C 1.099 175.704 174.600 0.009 0.000 1.006 112 S CA 0.470 58.678 58.200 0.012 0.000 0.934 112 S CB 0.110 63.317 63.200 0.011 0.000 0.778 112 S HN 0.388 nan 8.310 nan 0.000 0.517 113 K N 1.466 121.872 120.400 0.010 0.000 2.314 113 K HA 0.165 4.484 4.320 -0.001 0.000 0.198 113 K C 0.314 176.919 176.600 0.009 0.000 1.045 113 K CA 0.727 57.019 56.287 0.009 0.000 0.988 113 K CB 0.260 32.765 32.500 0.009 0.000 0.783 113 K HN 0.562 nan 8.250 nan 0.000 0.484 114 S N -0.432 115.275 115.700 0.012 0.000 2.548 114 S HA 0.184 4.653 4.470 -0.001 0.000 0.278 114 S C -0.870 173.740 174.600 0.016 0.000 1.150 114 S CA -1.237 56.970 58.200 0.012 0.000 0.907 114 S CB 1.152 64.360 63.200 0.014 0.000 1.108 114 S HN 0.213 nan 8.310 nan 0.000 0.459 115 C N 4.333 123.642 119.300 0.015 0.000 2.307 115 C HA 0.732 5.192 4.460 -0.001 0.000 0.340 115 C C 0.324 175.331 174.990 0.028 0.000 1.275 115 C CA -0.610 58.420 59.018 0.020 0.000 1.811 115 C CB -1.291 26.456 27.740 0.012 0.000 2.372 115 C HN 0.871 nan 8.230 nan 0.000 0.531 116 L N 6.145 127.391 121.223 0.038 0.000 3.062 116 L HA 0.344 4.684 4.340 -0.001 0.000 0.255 116 L C 2.013 178.922 176.870 0.065 0.000 1.274 116 L CA 0.632 55.501 54.840 0.049 0.000 1.047 116 L CB -0.043 42.045 42.059 0.048 0.000 1.402 116 L HN 1.019 nan 8.230 nan 0.000 0.550 117 G N -0.306 108.533 108.800 0.064 0.000 2.448 117 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.219 117 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.219 117 G C 1.527 176.499 174.900 0.120 0.000 1.127 117 G CA 1.093 46.244 45.100 0.086 0.000 0.766 117 G HN 0.514 nan 8.290 nan 0.000 0.552 118 S N -0.034 115.732 115.700 0.110 0.000 2.605 118 S HA 0.311 4.781 4.470 -0.001 0.000 0.217 118 S C 0.727 175.415 174.600 0.146 0.000 0.958 118 S CA -0.605 57.679 58.200 0.140 0.000 0.919 118 S CB -0.081 63.182 63.200 0.106 0.000 0.780 118 S HN 0.028 nan 8.310 nan 0.000 0.507 119 I N 2.755 123.402 120.570 0.130 0.000 2.533 119 I HA 0.116 4.286 4.170 -0.001 0.000 0.284 119 I C 1.742 177.959 176.117 0.167 0.000 1.109 119 I CA -0.059 61.313 61.300 0.120 0.000 1.412 119 I CB 0.001 38.056 38.000 0.091 0.000 1.396 119 I HN 0.315 nan 8.210 nan 0.000 0.543 120 M N 4.468 124.168 119.600 0.168 0.000 2.115 120 M HA -0.143 4.336 4.480 -0.001 0.000 0.258 120 M C 0.575 176.964 176.300 0.149 0.000 1.071 120 M CA 1.855 57.292 55.300 0.229 0.000 1.100 120 M CB -0.342 32.352 32.600 0.157 0.000 1.292 120 M HN 0.543 nan 8.290 nan 0.000 0.415 121 T N 2.287 116.857 114.554 0.027 0.000 3.331 121 T HA 0.355 4.705 4.350 -0.001 0.000 0.381 121 T C -2.248 172.467 174.700 0.025 0.000 1.656 121 T CA -1.114 60.929 62.100 -0.095 0.000 1.453 121 T CB 0.712 69.403 68.868 -0.294 0.000 1.066 121 T HN 0.246 nan 8.240 nan 0.000 0.655 122 P HA 0.265 nan 4.420 nan 0.000 0.272 122 P C 0.581 177.955 177.300 0.124 0.000 1.223 122 P CA -0.425 62.739 63.100 0.107 0.000 0.784 122 P CB 1.579 33.348 31.700 0.115 0.000 0.923 123 K N 0.644 121.097 120.400 0.088 0.000 2.211 123 K HA -0.082 4.238 4.320 -0.001 0.000 0.203 123 K C 2.078 178.740 176.600 0.104 0.000 1.050 123 K CA 1.711 58.047 56.287 0.082 0.000 0.945 123 K CB -0.262 32.267 32.500 0.048 0.000 0.732 123 K HN 0.549 nan 8.250 nan 0.000 0.451 124 S N 0.850 116.613 115.700 0.104 0.000 2.442 124 S HA -0.076 4.393 4.470 -0.001 0.000 0.236 124 S C 1.575 176.279 174.600 0.174 0.000 1.007 124 S CA 0.821 59.085 58.200 0.106 0.000 0.965 124 S CB -0.194 63.053 63.200 0.077 0.000 0.773 124 S HN 0.225 nan 8.310 nan 0.000 0.504 125 L N 1.161 122.525 121.223 0.235 0.000 2.769 125 L HA 0.294 4.633 4.340 -0.001 0.000 0.240 125 L C -0.252 176.907 176.870 0.481 0.000 1.163 125 L CA -0.085 54.958 54.840 0.338 0.000 0.962 125 L CB 0.235 42.453 42.059 0.265 0.000 1.258 125 L HN 0.165 nan 8.230 nan 0.000 0.513 126 T N 0.098 114.863 114.554 0.353 0.000 2.770 126 T HA 0.381 4.730 4.350 -0.001 0.000 0.283 126 T C -0.248 174.519 174.700 0.112 0.000 0.988 126 T CA -0.423 61.842 62.100 0.276 0.000 0.957 126 T CB 1.889 70.865 68.868 0.179 0.000 0.930 126 T HN -0.096 nan 8.240 nan 0.000 0.443 127 R N 2.262 122.794 120.500 0.053 0.000 2.233 127 R HA 0.576 4.915 4.340 -0.001 0.000 0.334 127 R C 0.728 177.001 176.300 -0.044 0.000 1.037 127 R CA -0.300 55.730 56.100 -0.117 0.000 0.920 127 R CB 0.242 30.385 30.300 -0.261 0.000 1.137 127 R HN 0.835 nan 8.270 nan 0.000 0.492 128 G N 3.732 112.503 108.800 -0.049 0.000 2.611 128 G HA2 0.279 4.238 3.960 -0.001 0.000 0.273 128 G HA3 0.279 4.238 3.960 -0.001 0.000 0.273 128 G C -1.935 172.935 174.900 -0.050 0.000 1.305 128 G CA -0.788 44.285 45.100 -0.045 0.000 1.010 128 G HN 0.506 nan 8.290 nan 0.000 0.509 129 P HA 0.367 nan 4.420 nan 0.000 0.277 129 P C -0.691 176.585 177.300 -0.040 0.000 1.276 129 P CA -0.326 62.746 63.100 -0.045 0.000 0.788 129 P CB 1.134 32.802 31.700 -0.054 0.000 1.114 130 R N -0.763 119.717 120.500 -0.033 0.000 2.774 130 R HA 0.308 4.647 4.340 -0.001 0.000 0.272 130 R C -0.348 175.937 176.300 -0.024 0.000 1.000 130 R CA -0.464 55.620 56.100 -0.028 0.000 0.906 130 R CB 1.298 31.582 30.300 -0.026 0.000 1.227 130 R HN 0.418 nan 8.270 nan 0.000 0.468 131 D N -0.657 119.731 120.400 -0.020 0.000 2.500 131 D HA 0.161 4.801 4.640 -0.001 0.000 0.217 131 D C -0.462 175.835 176.300 -0.005 0.000 1.159 131 D CA -0.100 53.889 54.000 -0.018 0.000 0.828 131 D CB 0.661 41.448 40.800 -0.022 0.000 1.039 131 D HN 0.122 nan 8.370 nan 0.000 0.512 132 K N 0.224 120.623 120.400 -0.002 0.000 2.527 132 K HA 0.462 4.781 4.320 -0.001 0.000 0.260 132 K C -2.916 173.687 176.600 0.006 0.000 0.937 132 K CA -1.972 54.319 56.287 0.006 0.000 0.826 132 K CB 2.412 34.913 32.500 0.003 0.000 1.359 132 K HN -0.201 nan 8.250 nan 0.000 0.434 133 P HA -0.012 nan 4.420 nan 0.000 0.270 133 P C -0.684 176.616 177.300 0.001 0.000 1.227 133 P CA -0.073 63.032 63.100 0.008 0.000 0.788 133 P CB 0.376 32.084 31.700 0.014 0.000 0.926 134 T N 2.681 117.234 114.554 -0.003 0.000 2.832 134 T HA 0.295 4.644 4.350 -0.001 0.000 0.296 134 T C -2.162 172.544 174.700 0.010 0.000 0.968 134 T CA -0.888 61.212 62.100 -0.001 0.000 1.107 134 T CB -0.109 68.756 68.868 -0.005 0.000 0.916 134 T HN 0.266 nan 8.240 nan 0.000 0.517 135 P HA 0.164 nan 4.420 nan 0.000 0.271 135 P C -1.614 175.698 177.300 0.019 0.000 1.220 135 P CA -1.478 61.630 63.100 0.013 0.000 0.768 135 P CB 0.396 32.100 31.700 0.008 0.000 0.848 136 P HA -0.233 nan 4.420 nan 0.000 0.220 136 P C 0.634 177.945 177.300 0.018 0.000 1.144 136 P CA 1.382 64.497 63.100 0.024 0.000 0.800 136 P CB 0.011 31.724 31.700 0.021 0.000 0.772 137 D N 0.379 120.787 120.400 0.013 0.000 2.219 137 D HA -0.178 4.461 4.640 -0.001 0.000 0.205 137 D C 1.599 177.906 176.300 0.013 0.000 0.970 137 D CA 1.193 55.199 54.000 0.010 0.000 0.851 137 D CB -0.820 39.985 40.800 0.007 0.000 0.943 137 D HN 0.322 nan 8.370 nan 0.000 0.488 138 E N -0.701 119.509 120.200 0.016 0.000 2.201 138 E HA 0.068 4.417 4.350 -0.001 0.000 0.193 138 E C 1.922 178.542 176.600 0.033 0.000 0.957 138 E CA -0.234 56.178 56.400 0.020 0.000 0.858 138 E CB 0.058 29.767 29.700 0.014 0.000 0.816 138 E HN 0.090 nan 8.360 nan 0.000 0.475 139 L N 1.334 122.580 121.223 0.039 0.000 2.027 139 L HA -0.122 4.218 4.340 -0.001 0.000 0.206 139 L C 2.155 179.052 176.870 0.045 0.000 1.074 139 L CA 1.307 56.186 54.840 0.066 0.000 0.745 139 L CB -0.484 41.625 42.059 0.084 0.000 0.898 139 L HN 0.112 nan 8.230 nan 0.000 0.433 140 L N 0.135 121.366 121.223 0.014 0.000 2.012 140 L HA -0.118 4.222 4.340 -0.001 0.000 0.210 140 L C -0.470 176.396 176.870 -0.008 0.000 1.073 140 L CA 2.211 57.039 54.840 -0.021 0.000 0.748 140 L CB -1.869 40.181 42.059 -0.015 0.000 0.891 140 L HN 0.200 nan 8.230 nan 0.000 0.431 141 P HA -0.184 nan 4.420 nan 0.000 0.215 141 P C 1.534 178.865 177.300 0.052 0.000 1.157 141 P CA 1.485 64.602 63.100 0.027 0.000 0.863 141 P CB -0.080 31.636 31.700 0.026 0.000 0.787 142 Q N -0.592 119.247 119.800 0.066 0.000 2.084 142 Q HA -0.116 4.224 4.340 -0.001 0.000 0.202 142 Q C 2.262 178.354 176.000 0.153 0.000 0.978 142 Q CA 1.624 57.493 55.803 0.109 0.000 0.844 142 Q CB -0.779 28.024 28.738 0.108 0.000 0.898 142 Q HN 0.172 nan 8.270 nan 0.000 0.426 143 A N 1.242 124.118 122.820 0.093 0.000 1.902 143 A HA -0.175 4.145 4.320 -0.001 0.000 0.217 143 A C 2.027 179.652 177.584 0.068 0.000 1.181 143 A CA 1.166 53.214 52.037 0.017 0.000 0.623 143 A CB -0.460 18.292 19.000 -0.415 0.000 0.818 143 A HN 0.244 nan 8.150 nan 0.000 0.443 144 I N 0.036 120.632 120.570 0.042 0.000 2.252 144 I HA -0.200 3.969 4.170 -0.001 0.000 0.245 144 I C 2.288 178.482 176.117 0.128 0.000 1.102 144 I CA 1.369 62.714 61.300 0.076 0.000 1.385 144 I CB -1.787 36.242 38.000 0.049 0.000 1.064 144 I HN 0.460 nan 8.210 nan 0.000 0.414 145 E N 0.568 120.847 120.200 0.131 0.000 2.049 145 E HA -0.281 4.069 4.350 -0.001 0.000 0.198 145 E C 2.171 178.876 176.600 0.176 0.000 1.007 145 E CA 1.676 58.160 56.400 0.140 0.000 0.809 145 E CB -0.350 29.434 29.700 0.140 0.000 0.749 145 E HN 0.386 nan 8.360 nan 0.000 0.450 146 F N 1.414 121.441 119.950 0.128 0.000 2.069 146 F HA -0.242 4.284 4.527 -0.001 0.000 0.298 146 F C 2.158 178.057 175.800 0.165 0.000 1.113 146 F CA 1.223 59.323 58.000 0.167 0.000 1.214 146 F CB -0.530 38.593 39.000 0.205 0.000 0.978 146 F HN -0.198 nan 8.300 nan 0.000 0.474 147 V N 1.228 121.151 119.914 0.015 0.000 2.287 147 V HA -0.376 3.744 4.120 -0.001 0.000 0.248 147 V C 2.322 178.389 176.094 -0.046 0.000 1.053 147 V CA 2.245 64.540 62.300 -0.009 0.000 1.027 147 V CB -0.965 30.999 31.823 0.235 0.000 0.646 147 V HN 0.401 nan 8.190 nan 0.000 0.447 148 N N -0.139 118.585 118.700 0.041 0.000 2.120 148 N HA -0.222 4.518 4.740 -0.001 0.000 0.188 148 N C 1.938 177.381 175.510 -0.111 0.000 1.024 148 N CA 1.695 54.763 53.050 0.030 0.000 0.852 148 N CB -0.357 38.213 38.487 0.139 0.000 1.003 148 N HN 0.626 nan 8.380 nan 0.000 0.424 149 Q N -0.176 119.554 119.800 -0.117 0.000 2.050 149 Q HA -0.182 4.158 4.340 -0.001 0.000 0.202 149 Q C 2.025 177.813 176.000 -0.354 0.000 0.980 149 Q CA 1.212 56.941 55.803 -0.123 0.000 0.840 149 Q CB -0.170 28.582 28.738 0.023 0.000 0.898 149 Q HN 0.511 nan 8.270 nan 0.000 0.424 150 Y N -0.475 119.324 120.300 -0.834 0.000 2.128 150 Y HA -0.317 4.232 4.550 -0.001 0.000 0.284 150 Y C 1.625 176.922 175.900 -1.005 0.000 1.154 150 Y CA 1.859 59.142 58.100 -1.363 0.000 1.149 150 Y CB -0.222 37.369 38.460 -1.449 0.000 0.976 150 Y HN 0.177 nan 8.280 nan 0.000 0.505 151 Y N 0.016 119.917 120.300 -0.665 0.000 2.373 151 Y HA -0.019 4.530 4.550 -0.001 0.000 0.293 151 Y C 2.574 178.323 175.900 -0.251 0.000 1.129 151 Y CA 1.119 58.963 58.100 -0.427 0.000 1.226 151 Y CB -0.909 37.123 38.460 -0.713 0.000 1.000 151 Y HN 0.235 nan 8.280 nan 0.000 0.549 152 G N -0.902 107.778 108.800 -0.200 0.000 2.422 152 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.218 152 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.218 152 G C 1.759 176.568 174.900 -0.152 0.000 1.140 152 G CA 1.068 46.107 45.100 -0.102 0.000 0.775 152 G HN 0.451 nan 8.290 nan 0.000 0.545 153 S N -0.283 115.204 115.700 -0.355 0.000 2.595 153 S HA 0.187 4.656 4.470 -0.001 0.000 0.235 153 S C 0.428 174.765 174.600 -0.438 0.000 0.974 153 S CA -0.297 57.679 58.200 -0.373 0.000 0.942 153 S CB -0.456 62.455 63.200 -0.482 0.000 0.766 153 S HN 0.041 nan 8.310 nan 0.000 0.536 154 F N 2.103 121.906 119.950 -0.244 0.000 2.412 154 F HA 0.443 4.969 4.527 -0.001 0.000 0.348 154 F C 1.458 177.201 175.800 -0.095 0.000 1.102 154 F CA -0.909 56.981 58.000 -0.184 0.000 1.196 154 F CB 1.009 39.888 39.000 -0.202 0.000 1.144 154 F HN -0.035 nan 8.300 nan 0.000 0.541 155 K N 0.887 121.370 120.400 0.138 0.000 2.211 155 K HA -0.030 4.289 4.320 -0.001 0.000 0.203 155 K C -0.328 176.314 176.600 0.069 0.000 1.050 155 K CA 1.203 57.534 56.287 0.074 0.000 0.945 155 K CB 0.160 32.695 32.500 0.058 0.000 0.732 155 K HN 0.624 nan 8.250 nan 0.000 0.451 156 E N 0.533 120.787 120.200 0.089 0.000 2.460 156 E HA 0.238 4.587 4.350 -0.001 0.000 0.249 156 E C -1.309 175.293 176.600 0.003 0.000 0.962 156 E CA -0.570 55.849 56.400 0.031 0.000 0.787 156 E CB 1.661 31.364 29.700 0.006 0.000 1.341 156 E HN 0.229 nan 8.360 nan 0.000 0.407 157 A N 3.407 126.235 122.820 0.014 0.000 2.639 157 A HA -0.081 4.238 4.320 -0.001 0.000 0.229 157 A C 0.165 177.698 177.584 -0.085 0.000 1.062 157 A CA 0.681 52.714 52.037 -0.007 0.000 0.761 157 A CB 0.192 19.198 19.000 0.009 0.000 0.988 157 A HN 0.591 nan 8.150 nan 0.000 0.510 158 K N 2.400 122.726 120.400 -0.123 0.000 2.992 158 K HA 0.280 4.599 4.320 -0.001 0.000 0.178 158 K C 0.343 176.848 176.600 -0.158 0.000 1.122 158 K CA -0.190 55.995 56.287 -0.171 0.000 0.926 158 K CB 0.584 32.913 32.500 -0.285 0.000 1.121 158 K HN 0.672 nan 8.250 nan 0.000 0.610 159 I N 0.137 120.644 120.570 -0.105 0.000 2.208 159 I HA -0.340 3.830 4.170 -0.001 0.000 0.245 159 I C 2.403 178.423 176.117 -0.162 0.000 1.097 159 I CA 1.563 62.796 61.300 -0.111 0.000 1.363 159 I CB -0.132 37.813 38.000 -0.092 0.000 1.051 159 I HN 0.587 nan 8.210 nan 0.000 0.413 160 E N 1.610 121.726 120.200 -0.140 0.000 2.051 160 E HA -0.245 4.104 4.350 -0.001 0.000 0.192 160 E C 2.071 178.577 176.600 -0.157 0.000 0.991 160 E CA 1.555 57.877 56.400 -0.130 0.000 0.799 160 E CB 0.023 29.666 29.700 -0.095 0.000 0.748 160 E HN 0.529 nan 8.360 nan 0.000 0.449 161 E N -0.516 119.574 120.200 -0.183 0.000 2.110 161 E HA -0.238 4.111 4.350 -0.001 0.000 0.193 161 E C 2.133 178.481 176.600 -0.420 0.000 0.988 161 E CA 1.149 57.430 56.400 -0.198 0.000 0.804 161 E CB -0.391 29.230 29.700 -0.131 0.000 0.745 161 E HN 0.532 nan 8.360 nan 0.000 0.458 162 H N 0.575 119.123 119.070 -0.871 0.000 2.352 162 H HA -0.129 4.426 4.556 -0.001 0.000 0.299 162 H C 2.219 177.253 175.328 -0.490 0.000 1.097 162 H CA 0.600 55.927 56.048 -1.201 0.000 1.311 162 H CB 0.222 29.488 29.762 -0.827 0.000 1.377 162 H HN 0.060 nan 8.280 nan 0.000 0.504 163 L N 1.002 122.056 121.223 -0.283 0.000 2.017 163 L HA -0.126 4.213 4.340 -0.001 0.000 0.208 163 L C 2.845 179.645 176.870 -0.117 0.000 1.073 163 L CA 1.823 56.532 54.840 -0.219 0.000 0.745 163 L CB -1.687 40.262 42.059 -0.183 0.000 0.894 163 L HN 0.454 nan 8.230 nan 0.000 0.432 164 A N -0.490 122.271 122.820 -0.099 0.000 1.865 164 A HA -0.281 4.038 4.320 -0.001 0.000 0.217 164 A C 2.402 179.990 177.584 0.007 0.000 1.191 164 A CA 1.968 53.981 52.037 -0.040 0.000 0.623 164 A CB -0.546 18.437 19.000 -0.029 0.000 0.826 164 A HN 0.351 nan 8.150 nan 0.000 0.444 165 R N -0.030 120.491 120.500 0.035 0.000 2.083 165 R HA -0.109 4.230 4.340 -0.001 0.000 0.237 165 R C 1.874 178.242 176.300 0.114 0.000 1.137 165 R CA 2.092 58.276 56.100 0.141 0.000 0.951 165 R CB -1.317 29.181 30.300 0.330 0.000 0.851 165 R HN 0.290 nan 8.270 nan 0.000 0.434 166 V N 1.006 120.971 119.914 0.085 0.000 2.332 166 V HA -0.260 3.860 4.120 -0.001 0.000 0.248 166 V C 2.123 178.223 176.094 0.011 0.000 1.055 166 V CA 2.319 64.650 62.300 0.052 0.000 1.038 166 V CB -0.525 31.303 31.823 0.008 0.000 0.651 166 V HN 0.436 nan 8.190 nan 0.000 0.450 167 E N 0.347 120.547 120.200 -0.000 0.000 2.015 167 E HA -0.169 4.180 4.350 -0.001 0.000 0.191 167 E C 2.415 179.020 176.600 0.010 0.000 0.991 167 E CA 1.238 57.635 56.400 -0.005 0.000 0.802 167 E CB -0.438 29.255 29.700 -0.013 0.000 0.759 167 E HN 0.563 nan 8.360 nan 0.000 0.447 168 A N 1.203 124.040 122.820 0.028 0.000 1.884 168 A HA -0.224 4.096 4.320 -0.001 0.000 0.219 168 A C 2.552 180.162 177.584 0.043 0.000 1.197 168 A CA 1.810 53.874 52.037 0.044 0.000 0.637 168 A CB -1.012 18.029 19.000 0.069 0.000 0.827 168 A HN 0.148 nan 8.150 nan 0.000 0.450 169 V N -0.278 119.656 119.914 0.033 0.000 2.407 169 V HA -0.219 3.900 4.120 -0.001 0.000 0.248 169 V C 2.736 178.795 176.094 -0.059 0.000 1.055 169 V CA 2.419 64.703 62.300 -0.028 0.000 1.049 169 V CB -1.182 30.564 31.823 -0.128 0.000 0.662 169 V HN 0.672 nan 8.190 nan 0.000 0.455 170 T N -0.500 114.031 114.554 -0.038 0.000 2.737 170 T HA -0.181 4.168 4.350 -0.001 0.000 0.265 170 T C 2.019 176.714 174.700 -0.009 0.000 1.038 170 T CA 1.362 63.443 62.100 -0.032 0.000 1.144 170 T CB -0.206 68.649 68.868 -0.023 0.000 0.866 170 T HN 0.285 nan 8.240 nan 0.000 0.434 171 K N 1.248 121.650 120.400 0.003 0.000 2.057 171 K HA 0.009 4.328 4.320 -0.001 0.000 0.206 171 K C 2.244 178.859 176.600 0.024 0.000 1.050 171 K CA 1.060 57.354 56.287 0.013 0.000 0.935 171 K CB -0.334 32.175 32.500 0.015 0.000 0.715 171 K HN 0.453 nan 8.250 nan 0.000 0.439 172 E N 0.426 120.649 120.200 0.037 0.000 2.058 172 E HA -0.167 4.183 4.350 -0.001 0.000 0.194 172 E C 1.768 178.407 176.600 0.065 0.000 0.997 172 E CA 1.296 57.733 56.400 0.061 0.000 0.801 172 E CB -0.080 29.679 29.700 0.099 0.000 0.746 172 E HN 0.231 nan 8.360 nan 0.000 0.450 173 I N 0.762 121.365 120.570 0.055 0.000 2.567 173 I HA -0.223 3.947 4.170 -0.001 0.000 0.257 173 I C 2.495 178.634 176.117 0.038 0.000 1.184 173 I CA 0.983 62.318 61.300 0.058 0.000 1.451 173 I CB -0.250 37.763 38.000 0.021 0.000 1.089 173 I HN 0.251 nan 8.210 nan 0.000 0.441 174 E N 0.661 120.876 120.200 0.026 0.000 2.060 174 E HA -0.172 4.178 4.350 -0.001 0.000 0.189 174 E C 2.147 178.760 176.600 0.022 0.000 0.974 174 E CA 1.681 58.093 56.400 0.019 0.000 0.808 174 E CB 0.153 29.860 29.700 0.012 0.000 0.768 174 E HN 0.491 nan 8.360 nan 0.000 0.453 175 T N -2.361 112.209 114.554 0.025 0.000 3.088 175 T HA -0.017 4.332 4.350 -0.001 0.000 0.259 175 T C 1.694 176.410 174.700 0.027 0.000 1.122 175 T CA 1.291 63.406 62.100 0.024 0.000 1.095 175 T CB 0.200 69.082 68.868 0.024 0.000 0.930 175 T HN 0.202 nan 8.240 nan 0.000 0.508 176 T N -3.667 110.907 114.554 0.034 0.000 3.010 176 T HA 0.513 4.863 4.350 -0.001 0.000 0.253 176 T C 1.841 176.562 174.700 0.035 0.000 0.939 176 T CA 0.843 62.963 62.100 0.034 0.000 0.910 176 T CB 0.076 68.969 68.868 0.041 0.000 1.226 176 T HN 0.914 nan 8.240 nan 0.000 0.508 177 G N 0.307 109.133 108.800 0.044 0.000 2.195 177 G HA2 -0.093 3.867 3.960 -0.001 0.000 0.224 177 G HA3 -0.093 3.867 3.960 -0.001 0.000 0.224 177 G C 0.200 175.139 174.900 0.065 0.000 0.990 177 G CA 0.549 45.676 45.100 0.044 0.000 0.639 177 G HN 1.096 nan 8.290 nan 0.000 0.514 178 T N -1.189 113.419 114.554 0.090 0.000 2.665 178 T HA 0.679 5.028 4.350 -0.001 0.000 0.303 178 T C -1.486 173.352 174.700 0.231 0.000 1.334 178 T CA 0.378 62.562 62.100 0.141 0.000 1.011 178 T CB 1.354 70.245 68.868 0.038 0.000 1.573 178 T HN 1.512 nan 8.240 nan 0.000 0.492 179 Y N -0.342 119.958 120.300 0.001 0.000 2.638 179 Y HA 0.861 5.411 4.550 -0.001 0.000 0.339 179 Y C -1.152 174.758 175.900 0.017 0.000 1.084 179 Y CA -1.239 56.873 58.100 0.020 0.000 1.068 179 Y CB 0.946 39.433 38.460 0.045 0.000 1.294 179 Y HN 0.396 nan 8.280 nan 0.000 0.480 180 Q N 1.859 121.682 119.800 0.037 0.000 2.337 180 Q HA 0.511 4.851 4.340 -0.001 0.000 0.266 180 Q C -0.998 175.012 176.000 0.017 0.000 1.023 180 Q CA -0.767 55.006 55.803 -0.049 0.000 0.829 180 Q CB 3.028 31.777 28.738 0.019 0.000 1.306 180 Q HN 0.852 nan 8.270 nan 0.000 0.449 181 L N 1.303 122.504 121.223 -0.036 0.000 2.418 181 L HA 0.367 4.706 4.340 -0.001 0.000 0.265 181 L C 1.164 178.055 176.870 0.036 0.000 1.143 181 L CA -0.434 54.424 54.840 0.031 0.000 0.809 181 L CB 0.685 42.723 42.059 -0.035 0.000 1.124 181 L HN 0.691 nan 8.230 nan 0.000 0.456 182 T N -1.532 113.047 114.554 0.042 0.000 2.788 182 T HA 0.228 4.578 4.350 -0.001 0.000 0.280 182 T C 1.279 175.972 174.700 -0.013 0.000 0.984 182 T CA -0.185 61.931 62.100 0.026 0.000 0.972 182 T CB 1.287 70.180 68.868 0.042 0.000 1.039 182 T HN 0.681 nan 8.240 nan 0.000 0.530 183 G N 0.132 108.929 108.800 -0.006 0.000 2.446 183 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.217 183 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.217 183 G C 1.174 176.058 174.900 -0.026 0.000 1.168 183 G CA 0.732 45.818 45.100 -0.024 0.000 0.771 183 G HN 0.825 nan 8.290 nan 0.000 0.551 184 D N 0.534 120.933 120.400 -0.001 0.000 2.224 184 D HA -0.037 4.603 4.640 -0.001 0.000 0.205 184 D C 2.365 178.628 176.300 -0.062 0.000 0.965 184 D CA 0.665 54.682 54.000 0.028 0.000 0.852 184 D CB -0.064 40.816 40.800 0.134 0.000 0.947 184 D HN 0.495 nan 8.370 nan 0.000 0.494 185 E N 0.280 120.346 120.200 -0.224 0.000 2.152 185 E HA -0.120 4.229 4.350 -0.001 0.000 0.192 185 E C 2.034 178.657 176.600 0.039 0.000 0.983 185 E CA 0.174 56.396 56.400 -0.298 0.000 0.818 185 E CB 0.077 29.667 29.700 -0.183 0.000 0.758 185 E HN 0.109 nan 8.360 nan 0.000 0.467 186 L N 1.071 122.264 121.223 -0.049 0.000 2.072 186 L HA -0.108 4.231 4.340 -0.001 0.000 0.205 186 L C 2.009 178.827 176.870 -0.086 0.000 1.079 186 L CA 1.397 56.163 54.840 -0.123 0.000 0.752 186 L CB -0.154 41.796 42.059 -0.181 0.000 0.906 186 L HN 0.084 nan 8.230 nan 0.000 0.436 187 I N -1.202 119.347 120.570 -0.034 0.000 2.127 187 I HA -0.335 3.835 4.170 -0.001 0.000 0.241 187 I C 2.401 178.553 176.117 0.059 0.000 1.075 187 I CA 1.804 63.098 61.300 -0.010 0.000 1.334 187 I CB -0.501 37.506 38.000 0.012 0.000 1.040 187 I HN 0.324 nan 8.210 nan 0.000 0.405 188 F N 2.010 121.968 119.950 0.013 0.000 2.091 188 F HA -0.315 4.212 4.527 -0.001 0.000 0.299 188 F C 2.468 178.325 175.800 0.094 0.000 1.103 188 F CA 1.694 59.744 58.000 0.083 0.000 1.228 188 F CB -0.486 38.595 39.000 0.134 0.000 0.984 188 F HN 0.027 nan 8.300 nan 0.000 0.477 189 A N -0.121 122.717 122.820 0.031 0.000 1.908 189 A HA -0.216 4.104 4.320 -0.001 0.000 0.218 189 A C 2.258 179.703 177.584 -0.232 0.000 1.181 189 A CA 2.634 54.604 52.037 -0.112 0.000 0.627 189 A CB -1.651 17.282 19.000 -0.111 0.000 0.818 189 A HN 0.584 nan 8.150 nan 0.000 0.445 190 T N -1.854 112.601 114.554 -0.166 0.000 2.777 190 T HA -0.095 4.255 4.350 -0.001 0.000 0.266 190 T C 1.818 176.516 174.700 -0.004 0.000 1.040 190 T CA 1.478 63.518 62.100 -0.101 0.000 1.141 190 T CB -0.281 68.549 68.868 -0.063 0.000 0.868 190 T HN 0.526 nan 8.240 nan 0.000 0.444 191 K N 0.525 120.930 120.400 0.008 0.000 2.097 191 K HA 0.005 4.325 4.320 -0.001 0.000 0.205 191 K C 2.824 179.429 176.600 0.009 0.000 1.050 191 K CA 0.958 57.343 56.287 0.163 0.000 0.938 191 K CB -0.094 32.536 32.500 0.216 0.000 0.718 191 K HN 0.275 nan 8.250 nan 0.000 0.442 192 Q N 0.215 119.838 119.800 -0.295 0.000 2.119 192 Q HA -0.043 4.297 4.340 -0.001 0.000 0.201 192 Q C 2.162 177.977 176.000 -0.309 0.000 0.972 192 Q CA 1.313 56.853 55.803 -0.438 0.000 0.847 192 Q CB -0.157 28.185 28.738 -0.661 0.000 0.903 192 Q HN 0.304 nan 8.270 nan 0.000 0.433 193 A N 0.031 122.669 122.820 -0.304 0.000 1.972 193 A HA -0.172 4.148 4.320 -0.001 0.000 0.219 193 A C 1.768 179.229 177.584 -0.206 0.000 1.169 193 A CA 1.243 53.018 52.037 -0.437 0.000 0.635 193 A CB -0.798 17.630 19.000 -0.952 0.000 0.810 193 A HN 0.526 nan 8.150 nan 0.000 0.446 194 W N 0.871 122.063 121.300 -0.179 0.000 2.409 194 W HA -0.049 4.610 4.660 -0.001 0.000 0.299 194 W C 2.236 178.634 176.519 -0.202 0.000 1.203 194 W CA 1.275 58.550 57.345 -0.116 0.000 1.298 194 W CB -0.639 28.760 29.460 -0.101 0.000 1.127 194 W HN 0.342 nan 8.180 nan 0.000 0.528 195 R N 0.419 120.788 120.500 -0.218 0.000 2.127 195 R HA -0.166 4.174 4.340 -0.001 0.000 0.238 195 R C 1.211 177.339 176.300 -0.287 0.000 1.134 195 R CA 1.688 57.489 56.100 -0.498 0.000 0.975 195 R CB -0.474 29.286 30.300 -0.899 0.000 0.865 195 R HN 0.053 nan 8.270 nan 0.000 0.447 196 N N 0.092 118.663 118.700 -0.216 0.000 2.322 196 N HA 0.057 4.796 4.740 -0.001 0.000 0.194 196 N C -0.725 174.704 175.510 -0.135 0.000 1.126 196 N CA 0.410 53.377 53.050 -0.139 0.000 0.845 196 N CB 0.982 39.432 38.487 -0.062 0.000 0.976 196 N HN 0.146 nan 8.380 nan 0.000 0.475 197 A N 1.743 124.466 122.820 -0.162 0.000 2.437 197 A HA 0.329 4.648 4.320 -0.001 0.000 0.303 197 A C -1.295 176.213 177.584 -0.127 0.000 1.324 197 A CA -1.093 50.804 52.037 -0.234 0.000 0.983 197 A CB 0.502 19.417 19.000 -0.141 0.000 1.142 197 A HN -0.021 nan 8.150 nan 0.000 0.541 198 P HA -0.144 nan 4.420 nan 0.000 0.218 198 P C 0.945 178.198 177.300 -0.078 0.000 1.148 198 P CA 1.208 64.263 63.100 -0.073 0.000 0.822 198 P CB 0.151 31.811 31.700 -0.067 0.000 0.784 199 R N -1.805 118.601 120.500 -0.157 0.000 2.356 199 R HA 0.186 4.525 4.340 -0.001 0.000 0.234 199 R C 0.070 176.367 176.300 -0.005 0.000 0.929 199 R CA -0.180 55.847 56.100 -0.121 0.000 1.084 199 R CB -0.480 29.548 30.300 -0.453 0.000 1.105 199 R HN 0.191 nan 8.270 nan 0.000 0.515 200 C N 0.472 119.756 119.300 -0.028 0.000 2.281 200 C HA 0.364 4.823 4.460 -0.001 0.000 0.325 200 C C 1.604 176.587 174.990 -0.012 0.000 1.282 200 C CA -0.872 58.156 59.018 0.016 0.000 1.640 200 C CB -0.289 27.494 27.740 0.073 0.000 2.288 200 C HN 0.596 nan 8.230 nan 0.000 0.507 201 I N 4.198 124.737 120.570 -0.052 0.000 3.419 201 I HA 0.205 4.375 4.170 -0.001 0.000 0.286 201 I C 1.805 177.977 176.117 0.092 0.000 1.268 201 I CA 0.980 62.209 61.300 -0.119 0.000 1.414 201 I CB 0.134 38.035 38.000 -0.164 0.000 1.074 201 I HN 0.916 nan 8.210 nan 0.000 0.457 202 G N 0.287 109.131 108.800 0.074 0.000 3.440 202 G HA2 0.054 4.013 3.960 -0.001 0.000 0.263 202 G HA3 0.054 4.013 3.960 -0.001 0.000 0.263 202 G C 1.175 176.078 174.900 0.005 0.000 1.236 202 G CA -0.379 44.762 45.100 0.068 0.000 0.927 202 G HN 0.263 nan 8.290 nan 0.000 0.530 203 R N -0.318 120.067 120.500 -0.192 0.000 2.285 203 R HA 0.095 4.434 4.340 -0.001 0.000 0.213 203 R C 2.024 177.792 176.300 -0.887 0.000 1.068 203 R CA 0.191 55.847 56.100 -0.740 0.000 1.004 203 R CB -0.125 29.583 30.300 -0.986 0.000 0.873 203 R HN 0.477 nan 8.270 nan 0.000 0.467 204 I N 0.980 121.236 120.570 -0.524 0.000 2.700 204 I HA -0.243 3.926 4.170 -0.001 0.000 0.261 204 I C 1.281 177.282 176.117 -0.193 0.000 1.219 204 I CA 1.283 62.477 61.300 -0.178 0.000 1.463 204 I CB 0.173 38.185 38.000 0.021 0.000 1.092 204 I HN 0.171 nan 8.210 nan 0.000 0.452 205 Q N 0.451 120.063 119.800 -0.314 0.000 2.320 205 Q HA -0.070 4.269 4.340 -0.001 0.000 0.201 205 Q C 1.515 177.060 176.000 -0.758 0.000 0.910 205 Q CA 0.180 55.794 55.803 -0.316 0.000 0.946 205 Q CB -0.144 28.593 28.738 -0.002 0.000 1.062 205 Q HN 0.784 nan 8.270 nan 0.000 0.503 206 W N 1.151 121.683 121.300 -1.280 0.000 2.313 206 W HA -0.217 4.442 4.660 -0.001 0.000 0.293 206 W C 1.194 177.394 176.519 -0.533 0.000 1.216 206 W CA 1.508 57.939 57.345 -1.524 0.000 1.223 206 W CB -1.179 27.593 29.460 -1.147 0.000 1.138 206 W HN 0.150 nan 8.180 nan 0.000 0.535 207 S N -0.030 114.979 115.700 -1.152 0.000 2.527 207 S HA -0.025 4.444 4.470 -0.001 0.000 0.222 207 S C 0.770 175.160 174.600 -0.350 0.000 0.985 207 S CA 0.168 57.836 58.200 -0.886 0.000 0.921 207 S CB -0.615 61.853 63.200 -1.220 0.000 0.772 207 S HN 0.199 nan 8.310 nan 0.000 0.529 208 N N 1.497 120.064 118.700 -0.221 0.000 2.801 208 N HA 0.408 5.147 4.740 -0.001 0.000 0.235 208 N C -1.519 174.084 175.510 0.156 0.000 1.069 208 N CA -0.304 52.733 53.050 -0.023 0.000 0.946 208 N CB 0.702 39.195 38.487 0.010 0.000 1.212 208 N HN 0.410 nan 8.380 nan 0.000 0.509 209 L N 2.466 123.754 121.223 0.108 0.000 2.516 209 L HA 0.373 4.712 4.340 -0.001 0.000 0.267 209 L C -0.789 176.048 176.870 -0.054 0.000 0.957 209 L CA -0.639 54.261 54.840 0.100 0.000 0.860 209 L CB 1.908 44.086 42.059 0.199 0.000 1.265 209 L HN 0.257 nan 8.230 nan 0.000 0.403 210 Q N 3.242 122.965 119.800 -0.130 0.000 2.304 210 Q HA 0.562 4.901 4.340 -0.001 0.000 0.260 210 Q C -1.632 174.040 176.000 -0.546 0.000 0.965 210 Q CA -0.017 55.552 55.803 -0.390 0.000 0.898 210 Q CB 1.343 29.754 28.738 -0.545 0.000 1.196 210 Q HN 0.529 nan 8.270 nan 0.000 0.402 211 V N 6.097 125.670 119.914 -0.568 0.000 2.378 211 V HA 0.404 4.524 4.120 -0.001 0.000 0.288 211 V C -0.856 174.887 176.094 -0.585 0.000 1.016 211 V CA -0.605 61.411 62.300 -0.473 0.000 0.840 211 V CB 0.578 32.241 31.823 -0.267 0.000 0.994 211 V HN 0.672 nan 8.190 nan 0.000 0.431 212 F N 2.769 122.541 119.950 -0.297 0.000 2.391 212 F HA 0.367 4.893 4.527 -0.001 0.000 0.359 212 F C 0.603 176.227 175.800 -0.293 0.000 1.122 212 F CA -0.802 57.029 58.000 -0.282 0.000 1.120 212 F CB 0.950 39.776 39.000 -0.290 0.000 1.142 212 F HN 0.424 nan 8.300 nan 0.000 0.483 213 D N 3.509 123.859 120.400 -0.084 0.000 2.393 213 D HA 0.350 4.989 4.640 -0.001 0.000 0.232 213 D C 0.035 176.213 176.300 -0.202 0.000 1.192 213 D CA 0.053 53.959 54.000 -0.156 0.000 0.882 213 D CB 1.002 41.735 40.800 -0.112 0.000 1.038 213 D HN 0.602 nan 8.370 nan 0.000 0.499 214 A N 4.615 127.215 122.820 -0.368 0.000 2.713 214 A HA 0.178 4.497 4.320 -0.001 0.000 0.296 214 A C 1.605 179.024 177.584 -0.275 0.000 1.255 214 A CA -0.423 51.301 52.037 -0.521 0.000 0.955 214 A CB -0.007 18.347 19.000 -1.076 0.000 1.149 214 A HN 0.524 nan 8.150 nan 0.000 0.538 215 R N 0.320 120.717 120.500 -0.172 0.000 2.237 215 R HA -0.069 4.270 4.340 -0.001 0.000 0.219 215 R C 1.528 177.764 176.300 -0.106 0.000 1.080 215 R CA 1.379 57.416 56.100 -0.105 0.000 0.995 215 R CB 0.001 30.276 30.300 -0.041 0.000 0.875 215 R HN 0.602 nan 8.270 nan 0.000 0.462 216 S N -0.784 114.875 115.700 -0.068 0.000 2.614 216 S HA 0.049 4.518 4.470 -0.001 0.000 0.230 216 S C 0.643 175.243 174.600 0.001 0.000 0.952 216 S CA -0.791 57.392 58.200 -0.030 0.000 0.949 216 S CB -0.368 62.837 63.200 0.007 0.000 0.786 216 S HN 0.284 nan 8.310 nan 0.000 0.478 217 C N 2.701 121.986 119.300 -0.025 0.000 2.644 217 C HA 0.636 5.095 4.460 -0.001 0.000 0.417 217 C C 1.699 176.737 174.990 0.079 0.000 1.304 217 C CA 0.382 59.451 59.018 0.084 0.000 2.035 217 C CB 0.463 28.301 27.740 0.163 0.000 2.673 217 C HN 0.708 nan 8.230 nan 0.000 0.602 218 S N 1.855 117.708 115.700 0.254 0.000 2.651 218 S HA 0.209 4.678 4.470 -0.001 0.000 0.259 218 S C 0.268 175.084 174.600 0.360 0.000 1.073 218 S CA 0.358 58.787 58.200 0.383 0.000 1.090 218 S CB -0.156 63.176 63.200 0.220 0.000 1.042 218 S HN 1.025 nan 8.310 nan 0.000 0.581 219 T N -1.237 113.472 114.554 0.257 0.000 2.924 219 T HA 0.841 5.191 4.350 -0.001 0.000 0.291 219 T C 1.183 175.944 174.700 0.102 0.000 1.045 219 T CA -0.232 61.953 62.100 0.141 0.000 1.015 219 T CB 1.578 70.511 68.868 0.107 0.000 1.103 219 T HN 0.163 nan 8.240 nan 0.000 0.496 220 A N 1.100 123.943 122.820 0.039 0.000 1.972 220 A HA -0.047 4.272 4.320 -0.001 0.000 0.219 220 A C 2.342 179.861 177.584 -0.109 0.000 1.169 220 A CA 1.852 53.889 52.037 -0.000 0.000 0.635 220 A CB -0.855 18.210 19.000 0.107 0.000 0.810 220 A HN 0.862 nan 8.150 nan 0.000 0.446 221 R N 0.398 120.902 120.500 0.007 0.000 2.081 221 R HA -0.107 4.233 4.340 -0.001 0.000 0.235 221 R C 1.825 178.094 176.300 -0.051 0.000 1.131 221 R CA 2.129 58.191 56.100 -0.063 0.000 0.960 221 R CB -0.612 29.770 30.300 0.136 0.000 0.856 221 R HN 0.654 nan 8.270 nan 0.000 0.436 222 E N -0.324 119.895 120.200 0.031 0.000 2.110 222 E HA -0.188 4.162 4.350 -0.001 0.000 0.193 222 E C 2.019 178.699 176.600 0.134 0.000 0.988 222 E CA 1.653 58.090 56.400 0.063 0.000 0.804 222 E CB -0.126 29.669 29.700 0.158 0.000 0.745 222 E HN 0.376 nan 8.360 nan 0.000 0.458 223 M N -0.083 119.577 119.600 0.100 0.000 2.080 223 M HA -0.173 4.306 4.480 -0.001 0.000 0.260 223 M C 2.215 178.546 176.300 0.051 0.000 1.068 223 M CA 1.341 56.679 55.300 0.064 0.000 1.109 223 M CB -0.349 32.096 32.600 -0.259 0.000 1.342 223 M HN 0.146 nan 8.290 nan 0.000 0.405 224 F N 1.631 121.367 119.950 -0.356 0.000 2.095 224 F HA -0.230 4.297 4.527 -0.001 0.000 0.298 224 F C 2.068 177.743 175.800 -0.208 0.000 1.104 224 F CA 1.918 59.654 58.000 -0.439 0.000 1.232 224 F CB -0.458 37.933 39.000 -1.016 0.000 0.987 224 F HN 0.172 nan 8.300 nan 0.000 0.475 225 E N -1.231 118.743 120.200 -0.376 0.000 2.150 225 E HA -0.217 4.132 4.350 -0.001 0.000 0.193 225 E C 2.150 178.533 176.600 -0.362 0.000 0.985 225 E CA 1.107 57.228 56.400 -0.465 0.000 0.814 225 E CB -0.408 29.107 29.700 -0.309 0.000 0.752 225 E HN 0.549 nan 8.360 nan 0.000 0.466 226 H N 0.446 119.440 119.070 -0.126 0.000 2.357 226 H HA -0.042 4.513 4.556 -0.001 0.000 0.301 226 H C 2.237 177.484 175.328 -0.135 0.000 1.082 226 H CA 1.003 56.992 56.048 -0.099 0.000 1.342 226 H CB 0.004 29.819 29.762 0.088 0.000 1.389 226 H HN 0.182 nan 8.280 nan 0.000 0.511 227 I N -0.148 120.451 120.570 0.049 0.000 2.315 227 I HA -0.271 3.898 4.170 -0.001 0.000 0.248 227 I C 2.584 178.611 176.117 -0.151 0.000 1.117 227 I CA 0.675 61.962 61.300 -0.021 0.000 1.404 227 I CB -0.199 37.810 38.000 0.016 0.000 1.071 227 I HN 0.209 nan 8.210 nan 0.000 0.419 228 C N 0.294 119.407 119.300 -0.312 0.000 2.425 228 C HA -0.144 4.316 4.460 -0.001 0.000 0.277 228 C C 2.962 177.835 174.990 -0.195 0.000 1.280 228 C CA 0.834 59.669 59.018 -0.304 0.000 1.744 228 C CB -1.188 26.252 27.740 -0.499 0.000 1.989 228 C HN 0.479 nan 8.230 nan 0.000 0.491 229 R N 0.155 120.515 120.500 -0.234 0.000 2.075 229 R HA -0.170 4.169 4.340 -0.001 0.000 0.232 229 R C 2.204 178.369 176.300 -0.225 0.000 1.126 229 R CA 1.910 57.864 56.100 -0.243 0.000 0.963 229 R CB -0.690 29.396 30.300 -0.357 0.000 0.858 229 R HN 0.776 nan 8.270 nan 0.000 0.435 230 H N -0.361 118.469 119.070 -0.400 0.000 2.290 230 H HA -0.105 4.450 4.556 -0.001 0.000 0.298 230 H C 1.961 177.302 175.328 0.021 0.000 1.087 230 H CA 1.878 57.772 56.048 -0.257 0.000 1.291 230 H CB 0.123 29.790 29.762 -0.159 0.000 1.369 230 H HN 0.068 nan 8.280 nan 0.000 0.492 231 V N 1.061 121.057 119.914 0.137 0.000 2.332 231 V HA -0.270 3.850 4.120 -0.001 0.000 0.248 231 V C 2.653 178.808 176.094 0.102 0.000 1.055 231 V CA 2.217 64.564 62.300 0.079 0.000 1.038 231 V CB -0.628 31.177 31.823 -0.031 0.000 0.651 231 V HN 0.430 nan 8.190 nan 0.000 0.450 232 R N -1.119 119.421 120.500 0.067 0.000 2.066 232 R HA -0.212 4.127 4.340 -0.001 0.000 0.232 232 R C 2.421 178.786 176.300 0.107 0.000 1.131 232 R CA 2.125 58.260 56.100 0.059 0.000 0.955 232 R CB -0.479 29.833 30.300 0.021 0.000 0.851 232 R HN 0.610 nan 8.270 nan 0.000 0.432 233 Y N 0.907 121.245 120.300 0.064 0.000 2.128 233 Y HA -0.205 4.344 4.550 -0.001 0.000 0.284 233 Y C 2.310 178.300 175.900 0.149 0.000 1.154 233 Y CA 2.217 60.394 58.100 0.128 0.000 1.149 233 Y CB -0.288 38.318 38.460 0.243 0.000 0.976 233 Y HN 0.037 nan 8.280 nan 0.000 0.505 234 S N -0.652 115.189 115.700 0.235 0.000 2.383 234 S HA -0.157 4.312 4.470 -0.001 0.000 0.227 234 S C 1.881 176.519 174.600 0.063 0.000 1.026 234 S CA 1.581 59.877 58.200 0.160 0.000 0.981 234 S CB -0.539 62.877 63.200 0.360 0.000 0.818 234 S HN 0.582 nan 8.310 nan 0.000 0.472 235 T N 1.682 116.279 114.554 0.071 0.000 2.737 235 T HA -0.075 4.275 4.350 -0.001 0.000 0.265 235 T C 1.004 175.707 174.700 0.005 0.000 1.038 235 T CA 1.168 63.301 62.100 0.055 0.000 1.144 235 T CB -0.609 68.290 68.868 0.052 0.000 0.866 235 T HN 0.475 nan 8.240 nan 0.000 0.434 236 N N 1.437 120.114 118.700 -0.037 0.000 2.708 236 N HA -0.250 4.489 4.740 -0.001 0.000 0.251 236 N C -0.467 175.020 175.510 -0.038 0.000 1.017 236 N CA 0.878 53.886 53.050 -0.070 0.000 0.742 236 N CB -2.086 36.314 38.487 -0.145 0.000 0.943 236 N HN 0.491 nan 8.380 nan 0.000 0.539 237 N N -1.580 117.110 118.700 -0.017 0.000 2.735 237 N HA -0.186 4.554 4.740 -0.001 0.000 0.248 237 N C 1.022 176.522 175.510 -0.017 0.000 1.083 237 N CA 2.113 55.154 53.050 -0.015 0.000 0.703 237 N CB -1.234 37.242 38.487 -0.019 0.000 1.005 237 N HN 1.020 nan 8.380 nan 0.000 0.550 238 G N -1.394 107.404 108.800 -0.004 0.000 2.254 238 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.225 238 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.225 238 G C 0.063 174.961 174.900 -0.004 0.000 1.003 238 G CA 0.136 45.236 45.100 0.000 0.000 0.622 238 G HN 0.526 nan 8.290 nan 0.000 0.507 239 N N 2.159 120.843 118.700 -0.026 0.000 3.188 239 N HA 0.406 5.146 4.740 -0.001 0.000 0.279 239 N C 0.433 175.925 175.510 -0.030 0.000 1.213 239 N CA -0.727 52.292 53.050 -0.053 0.000 1.138 239 N CB 0.368 38.816 38.487 -0.064 0.000 1.417 239 N HN 0.268 nan 8.380 nan 0.000 0.526 240 I N 1.457 122.043 120.570 0.027 0.000 2.845 240 I HA -0.083 4.086 4.170 -0.001 0.000 0.296 240 I C 0.877 177.119 176.117 0.208 0.000 1.216 240 I CA 0.916 62.300 61.300 0.141 0.000 1.438 240 I CB -0.179 37.996 38.000 0.292 0.000 1.342 240 I HN 0.324 nan 8.210 nan 0.000 0.577 241 R N 3.700 124.306 120.500 0.176 0.000 2.670 241 R HA 0.444 4.783 4.340 -0.001 0.000 0.289 241 R C -0.452 175.999 176.300 0.252 0.000 0.965 241 R CA -0.704 55.519 56.100 0.205 0.000 0.899 241 R CB 2.056 32.337 30.300 -0.032 0.000 1.173 241 R HN 0.564 nan 8.270 nan 0.000 0.456 242 S N 1.077 116.915 115.700 0.231 0.000 2.565 242 S HA 0.615 5.084 4.470 -0.001 0.000 0.276 242 S C -0.460 174.193 174.600 0.089 0.000 1.326 242 S CA -0.439 57.804 58.200 0.072 0.000 1.045 242 S CB 1.483 64.634 63.200 -0.083 0.000 0.918 242 S HN 0.693 nan 8.310 nan 0.000 0.505 243 A N 2.339 125.179 122.820 0.033 0.000 2.612 243 A HA 0.808 5.127 4.320 -0.001 0.000 0.293 243 A C -1.359 176.171 177.584 -0.090 0.000 1.075 243 A CA -0.651 51.322 52.037 -0.108 0.000 0.680 243 A CB 1.118 20.020 19.000 -0.164 0.000 1.279 243 A HN 0.810 nan 8.150 nan 0.000 0.411 244 I N 0.370 120.841 120.570 -0.166 0.000 2.686 244 I HA 0.671 4.840 4.170 -0.001 0.000 0.295 244 I C -1.075 175.029 176.117 -0.023 0.000 1.114 244 I CA -0.177 61.140 61.300 0.028 0.000 1.038 244 I CB 2.424 40.420 38.000 -0.007 0.000 1.238 244 I HN 0.592 nan 8.210 nan 0.000 0.420 245 T N 6.227 120.827 114.554 0.077 0.000 2.786 245 T HA 0.457 4.806 4.350 -0.001 0.000 0.283 245 T C -0.768 173.714 174.700 -0.362 0.000 0.992 245 T CA -0.343 61.688 62.100 -0.114 0.000 0.954 245 T CB 1.455 70.266 68.868 -0.094 0.000 0.934 245 T HN 0.271 nan 8.240 nan 0.000 0.440 246 V N 5.178 124.832 119.914 -0.434 0.000 2.347 246 V HA 0.487 4.606 4.120 -0.001 0.000 0.280 246 V C -0.311 175.496 176.094 -0.478 0.000 1.021 246 V CA -0.778 61.282 62.300 -0.400 0.000 0.847 246 V CB 0.233 31.823 31.823 -0.387 0.000 0.990 246 V HN 0.771 nan 8.190 nan 0.000 0.444 247 F N 4.777 124.717 119.950 -0.016 0.000 2.364 247 F HA 0.474 5.001 4.527 -0.001 0.000 0.316 247 F C -1.776 174.011 175.800 -0.021 0.000 1.133 247 F CA -2.407 55.551 58.000 -0.071 0.000 1.051 247 F CB 0.572 39.578 39.000 0.010 0.000 1.342 247 F HN 0.296 nan 8.300 nan 0.000 0.507 248 P HA -0.040 nan 4.420 nan 0.000 0.264 248 P C -1.159 176.159 177.300 0.030 0.000 1.183 248 P CA -0.021 63.011 63.100 -0.114 0.000 0.763 248 P CB 0.247 31.622 31.700 -0.542 0.000 0.807 249 Q N 3.071 122.810 119.800 -0.102 0.000 2.454 249 Q HA 0.104 4.443 4.340 -0.001 0.000 0.247 249 Q C 0.163 176.029 176.000 -0.223 0.000 1.028 249 Q CA -0.483 55.013 55.803 -0.511 0.000 0.910 249 Q CB 0.706 28.882 28.738 -0.937 0.000 1.276 249 Q HN 0.338 nan 8.270 nan 0.000 0.489 250 R N 0.769 121.133 120.500 -0.226 0.000 2.590 250 R HA 0.040 4.379 4.340 -0.001 0.000 0.274 250 R C 0.081 176.341 176.300 -0.066 0.000 1.061 250 R CA 0.719 56.779 56.100 -0.066 0.000 1.081 250 R CB 0.635 30.896 30.300 -0.064 0.000 0.984 250 R HN 0.961 nan 8.270 nan 0.000 0.448 251 S N 1.926 117.639 115.700 0.022 0.000 3.026 251 S HA -0.017 4.452 4.470 -0.001 0.000 0.169 251 S C 0.736 175.364 174.600 0.046 0.000 0.680 251 S CA 0.228 58.441 58.200 0.022 0.000 0.826 251 S CB -0.255 62.971 63.200 0.043 0.000 0.779 251 S HN 0.808 nan 8.310 nan 0.000 0.664 252 D N 0.138 120.607 120.400 0.115 0.000 2.340 252 D HA 0.403 5.043 4.640 -0.001 0.000 0.217 252 D C 1.256 177.591 176.300 0.059 0.000 1.081 252 D CA 0.492 54.546 54.000 0.091 0.000 0.842 252 D CB -0.157 40.720 40.800 0.127 0.000 0.934 252 D HN 0.901 nan 8.370 nan 0.000 0.511 253 G N 0.579 109.414 108.800 0.058 0.000 2.162 253 G HA2 -0.373 3.586 3.960 -0.001 0.000 0.260 253 G HA3 -0.373 3.586 3.960 -0.001 0.000 0.260 253 G C 0.830 175.717 174.900 -0.020 0.000 0.976 253 G CA 0.511 45.621 45.100 0.017 0.000 0.655 253 G HN 0.473 nan 8.290 nan 0.000 0.533 254 K N -0.319 120.044 120.400 -0.061 0.000 2.413 254 K HA 0.263 4.583 4.320 -0.001 0.000 0.204 254 K C 0.519 176.826 176.600 -0.488 0.000 1.041 254 K CA -0.202 55.937 56.287 -0.247 0.000 1.082 254 K CB 0.505 32.824 32.500 -0.303 0.000 0.871 254 K HN 0.493 nan 8.250 nan 0.000 0.535 255 H N 0.676 119.761 119.070 0.026 0.000 2.562 255 H HA 0.173 4.729 4.556 -0.001 0.000 0.249 255 H C -0.821 174.544 175.328 0.061 0.000 1.195 255 H CA -0.606 55.457 56.048 0.026 0.000 0.938 255 H CB 0.378 30.184 29.762 0.075 0.000 1.891 255 H HN 0.060 nan 8.280 nan 0.000 0.595 256 D N 0.802 121.259 120.400 0.095 0.000 2.455 256 D HA 0.023 4.662 4.640 -0.001 0.000 0.241 256 D C -0.051 176.309 176.300 0.100 0.000 1.138 256 D CA 0.567 54.655 54.000 0.146 0.000 0.877 256 D CB 0.556 41.415 40.800 0.099 0.000 1.187 256 D HN 0.070 nan 8.370 nan 0.000 0.451 257 F N 2.983 122.977 119.950 0.074 0.000 2.385 257 F HA 0.377 4.904 4.527 -0.001 0.000 0.360 257 F C 0.942 176.766 175.800 0.041 0.000 1.122 257 F CA -0.547 57.467 58.000 0.022 0.000 1.090 257 F CB 0.770 39.783 39.000 0.022 0.000 1.150 257 F HN 0.162 nan 8.300 nan 0.000 0.472 258 R N 1.324 121.908 120.500 0.140 0.000 2.734 258 R HA 0.778 5.117 4.340 -0.001 0.000 0.271 258 R C -2.245 174.167 176.300 0.186 0.000 1.021 258 R CA -1.125 55.086 56.100 0.184 0.000 0.893 258 R CB 1.442 31.872 30.300 0.218 0.000 1.244 258 R HN 0.194 nan 8.270 nan 0.000 0.464 259 V N 1.755 121.795 119.914 0.209 0.000 2.350 259 V HA 0.141 4.260 4.120 -0.001 0.000 0.276 259 V C 0.113 176.425 176.094 0.364 0.000 1.028 259 V CA -0.583 61.844 62.300 0.211 0.000 0.860 259 V CB 0.883 32.781 31.823 0.124 0.000 0.990 259 V HN 0.736 nan 8.190 nan 0.000 0.453 260 W N 2.163 123.529 121.300 0.110 0.000 2.402 260 W HA -0.012 4.648 4.660 -0.001 0.000 0.286 260 W C 1.065 177.695 176.519 0.186 0.000 1.221 260 W CA -0.210 57.280 57.345 0.243 0.000 1.257 260 W CB -0.752 28.957 29.460 0.414 0.000 1.120 260 W HN 0.529 nan 8.180 nan 0.000 0.551 261 N N 0.156 118.971 118.700 0.192 0.000 2.407 261 N HA 0.182 4.922 4.740 -0.001 0.000 0.250 261 N C 1.142 176.534 175.510 -0.196 0.000 1.236 261 N CA 0.814 53.678 53.050 -0.311 0.000 0.879 261 N CB 0.597 38.952 38.487 -0.220 0.000 1.088 261 N HN -0.028 nan 8.380 nan 0.000 0.450 262 A N 1.730 124.386 122.820 -0.274 0.000 1.930 262 A HA -0.092 4.228 4.320 -0.001 0.000 0.217 262 A C 0.332 177.826 177.584 -0.149 0.000 1.175 262 A CA 1.419 53.375 52.037 -0.136 0.000 0.627 262 A CB -0.051 18.897 19.000 -0.087 0.000 0.815 262 A HN 0.720 nan 8.150 nan 0.000 0.443 263 Q N -2.216 117.471 119.800 -0.188 0.000 2.451 263 Q HA 0.633 4.972 4.340 -0.001 0.000 0.281 263 Q C 0.451 176.321 176.000 -0.218 0.000 1.099 263 Q CA -0.481 55.207 55.803 -0.192 0.000 0.806 263 Q CB 1.701 30.355 28.738 -0.139 0.000 1.419 263 Q HN 0.173 nan 8.270 nan 0.000 0.427 264 L N 0.194 121.280 121.223 -0.228 0.000 2.109 264 L HA 0.134 4.473 4.340 -0.001 0.000 0.207 264 L C 0.238 176.951 176.870 -0.261 0.000 1.086 264 L CA 0.936 55.650 54.840 -0.210 0.000 0.760 264 L CB 0.184 42.111 42.059 -0.220 0.000 0.910 264 L HN 0.497 nan 8.230 nan 0.000 0.437 265 I N 0.026 120.364 120.570 -0.388 0.000 2.418 265 I HA 0.417 4.586 4.170 -0.001 0.000 0.287 265 I C -0.492 175.059 176.117 -0.943 0.000 1.008 265 I CA -0.354 60.561 61.300 -0.642 0.000 1.104 265 I CB 1.659 39.174 38.000 -0.809 0.000 1.264 265 I HN 0.052 nan 8.210 nan 0.000 0.438 266 R N 4.725 124.771 120.500 -0.756 0.000 2.629 266 R HA 0.504 4.844 4.340 -0.001 0.000 0.266 266 R C -1.935 174.151 176.300 -0.356 0.000 1.051 266 R CA -0.620 55.149 56.100 -0.552 0.000 0.895 266 R CB 1.312 31.476 30.300 -0.227 0.000 1.246 266 R HN 0.267 nan 8.270 nan 0.000 0.459 267 Y N 1.329 121.625 120.300 -0.006 0.000 2.301 267 Y HA 0.630 5.180 4.550 -0.001 0.000 0.325 267 Y C 0.908 176.824 175.900 0.027 0.000 1.203 267 Y CA -0.272 57.865 58.100 0.063 0.000 1.255 267 Y CB 1.360 39.948 38.460 0.213 0.000 1.232 267 Y HN 0.766 nan 8.280 nan 0.000 0.501 268 A N 1.256 124.162 122.820 0.143 0.000 2.386 268 A HA 0.615 4.934 4.320 -0.001 0.000 0.246 268 A C 0.465 177.907 177.584 -0.237 0.000 1.089 268 A CA 0.275 52.223 52.037 -0.149 0.000 0.790 268 A CB -0.242 18.551 19.000 -0.345 0.000 1.042 268 A HN 0.927 nan 8.150 nan 0.000 0.497 269 G N -0.319 108.259 108.800 -0.369 0.000 2.723 269 G HA2 0.569 4.529 3.960 -0.001 0.000 0.295 269 G HA3 0.569 4.529 3.960 -0.001 0.000 0.295 269 G C -1.314 173.409 174.900 -0.295 0.000 1.464 269 G CA -0.272 44.687 45.100 -0.236 0.000 1.012 269 G HN 0.520 nan 8.290 nan 0.000 0.522 270 Y N 0.511 120.864 120.300 0.089 0.000 2.393 270 Y HA 0.510 5.059 4.550 -0.001 0.000 0.341 270 Y C 0.494 176.454 175.900 0.100 0.000 0.988 270 Y CA -0.887 57.285 58.100 0.120 0.000 1.078 270 Y CB 2.329 40.913 38.460 0.206 0.000 1.203 270 Y HN 0.464 nan 8.280 nan 0.000 0.453 271 Q N 3.614 123.563 119.800 0.249 0.000 2.274 271 Q HA 0.385 4.724 4.340 -0.001 0.000 0.256 271 Q C -0.850 175.236 176.000 0.143 0.000 0.927 271 Q CA -0.845 55.048 55.803 0.149 0.000 0.939 271 Q CB 0.749 29.546 28.738 0.099 0.000 1.201 271 Q HN 0.587 nan 8.270 nan 0.000 0.426 272 M N 4.349 124.000 119.600 0.085 0.000 2.283 272 M HA 0.233 4.712 4.480 -0.001 0.000 0.314 272 M C -1.682 174.614 176.300 -0.008 0.000 1.153 272 M CA -2.513 52.796 55.300 0.016 0.000 1.084 272 M CB -0.311 32.279 32.600 -0.016 0.000 1.468 272 M HN 0.435 nan 8.290 nan 0.000 0.474 273 P HA -0.193 nan 4.420 nan 0.000 0.217 273 P C 0.557 177.842 177.300 -0.026 0.000 1.148 273 P CA 1.452 64.528 63.100 -0.040 0.000 0.834 273 P CB -0.028 31.631 31.700 -0.069 0.000 0.783 274 D N -2.210 118.174 120.400 -0.027 0.000 2.349 274 D HA 0.045 4.684 4.640 -0.001 0.000 0.224 274 D C 1.473 177.769 176.300 -0.005 0.000 1.029 274 D CA 0.842 54.831 54.000 -0.018 0.000 0.879 274 D CB -0.668 40.119 40.800 -0.022 0.000 0.906 274 D HN 0.268 nan 8.370 nan 0.000 0.528 275 G N 0.289 109.091 108.800 0.003 0.000 2.234 275 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.235 275 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.235 275 G C 0.514 175.425 174.900 0.018 0.000 0.997 275 G CA 0.372 45.480 45.100 0.013 0.000 0.623 275 G HN 0.782 nan 8.290 nan 0.000 0.514 276 S N 0.736 116.444 115.700 0.014 0.000 2.596 276 S HA 0.671 5.140 4.470 -0.001 0.000 0.260 276 S C 0.242 174.863 174.600 0.035 0.000 1.336 276 S CA -0.145 58.065 58.200 0.017 0.000 0.993 276 S CB 1.330 64.535 63.200 0.008 0.000 0.923 276 S HN 0.597 nan 8.310 nan 0.000 0.567 277 I N 0.946 121.535 120.570 0.033 0.000 2.433 277 I HA 0.480 4.649 4.170 -0.001 0.000 0.292 277 I C 0.181 176.327 176.117 0.048 0.000 1.001 277 I CA -0.504 60.825 61.300 0.048 0.000 1.119 277 I CB 1.651 39.662 38.000 0.019 0.000 1.289 277 I HN 0.822 nan 8.210 nan 0.000 0.438 278 R N 3.416 123.984 120.500 0.113 0.000 2.437 278 R HA 0.665 5.005 4.340 -0.001 0.000 0.310 278 R C 0.245 176.615 176.300 0.117 0.000 0.955 278 R CA 0.233 56.407 56.100 0.124 0.000 0.851 278 R CB 1.449 31.870 30.300 0.202 0.000 1.161 278 R HN 0.943 nan 8.270 nan 0.000 0.446 279 G N 2.776 111.557 108.800 -0.032 0.000 2.466 279 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.218 279 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.218 279 G C -1.241 173.444 174.900 -0.358 0.000 1.237 279 G CA -0.154 44.881 45.100 -0.109 0.000 0.954 279 G HN 0.638 nan 8.290 nan 0.000 0.580 280 D N 2.355 122.647 120.400 -0.180 0.000 2.374 280 D HA 0.412 5.052 4.640 -0.001 0.000 0.240 280 D C -0.359 175.887 176.300 -0.090 0.000 1.229 280 D CA -1.497 52.400 54.000 -0.173 0.000 0.895 280 D CB 1.233 42.183 40.800 0.250 0.000 1.046 280 D HN 0.087 nan 8.370 nan 0.000 0.498 281 P HA -0.102 nan 4.420 nan 0.000 0.225 281 P C 0.783 178.095 177.300 0.020 0.000 1.148 281 P CA 0.517 63.595 63.100 -0.037 0.000 0.779 281 P CB 0.251 31.928 31.700 -0.038 0.000 0.780 282 A N -0.497 122.354 122.820 0.051 0.000 2.235 282 A HA -0.038 4.281 4.320 -0.001 0.000 0.208 282 A C 1.806 179.450 177.584 0.100 0.000 1.172 282 A CA 0.529 52.616 52.037 0.085 0.000 0.786 282 A CB -1.245 17.821 19.000 0.109 0.000 0.804 282 A HN 0.232 nan 8.150 nan 0.000 0.479 283 N N -0.294 118.459 118.700 0.088 0.000 2.282 283 N HA 0.145 4.885 4.740 -0.001 0.000 0.240 283 N C 0.755 176.300 175.510 0.058 0.000 1.182 283 N CA 0.019 53.128 53.050 0.097 0.000 0.874 283 N CB 0.424 38.975 38.487 0.106 0.000 1.126 283 N HN 0.124 nan 8.380 nan 0.000 0.516 284 V N 0.824 120.762 119.914 0.040 0.000 2.295 284 V HA -0.205 3.914 4.120 -0.001 0.000 0.246 284 V C 2.296 178.397 176.094 0.013 0.000 1.049 284 V CA 1.742 64.052 62.300 0.017 0.000 1.024 284 V CB -0.396 31.446 31.823 0.033 0.000 0.648 284 V HN 0.445 nan 8.190 nan 0.000 0.447 285 E N -0.334 119.889 120.200 0.039 0.000 2.051 285 E HA -0.269 4.080 4.350 -0.001 0.000 0.192 285 E C 2.122 178.654 176.600 -0.114 0.000 0.991 285 E CA 1.656 58.057 56.400 0.002 0.000 0.799 285 E CB -0.217 29.533 29.700 0.083 0.000 0.748 285 E HN 0.536 nan 8.360 nan 0.000 0.449 286 F N 1.277 121.090 119.950 -0.228 0.000 2.186 286 F HA -0.122 4.404 4.527 -0.001 0.000 0.299 286 F C 2.243 177.885 175.800 -0.263 0.000 1.090 286 F CA 1.746 59.519 58.000 -0.379 0.000 1.307 286 F CB -0.362 38.469 39.000 -0.281 0.000 1.019 286 F HN -0.015 nan 8.300 nan 0.000 0.489 287 T N -0.350 114.112 114.554 -0.153 0.000 2.821 287 T HA -0.238 4.112 4.350 -0.001 0.000 0.267 287 T C 1.744 176.347 174.700 -0.162 0.000 1.046 287 T CA 1.521 63.505 62.100 -0.194 0.000 1.139 287 T CB -0.315 68.463 68.868 -0.149 0.000 0.871 287 T HN 0.235 nan 8.240 nan 0.000 0.454 288 Q N 0.963 120.685 119.800 -0.131 0.000 2.084 288 Q HA -0.055 4.285 4.340 -0.001 0.000 0.202 288 Q C 2.129 178.028 176.000 -0.167 0.000 0.978 288 Q CA 1.205 56.958 55.803 -0.084 0.000 0.844 288 Q CB -0.760 27.946 28.738 -0.055 0.000 0.898 288 Q HN 0.455 nan 8.270 nan 0.000 0.426 289 L N -0.281 120.747 121.223 -0.324 0.000 2.012 289 L HA -0.184 4.155 4.340 -0.001 0.000 0.210 289 L C 2.149 178.821 176.870 -0.330 0.000 1.073 289 L CA 1.964 56.586 54.840 -0.362 0.000 0.748 289 L CB -1.049 40.654 42.059 -0.594 0.000 0.891 289 L HN 0.396 nan 8.230 nan 0.000 0.431 290 C N -0.342 118.680 119.300 -0.463 0.000 2.413 290 C HA -0.154 4.305 4.460 -0.001 0.000 0.276 290 C C 2.730 177.705 174.990 -0.026 0.000 1.248 290 C CA 1.037 59.865 59.018 -0.317 0.000 1.742 290 C CB -1.007 26.465 27.740 -0.446 0.000 2.017 290 C HN 0.619 nan 8.230 nan 0.000 0.481 291 I N 1.005 121.601 120.570 0.044 0.000 2.202 291 I HA -0.182 3.987 4.170 -0.001 0.000 0.242 291 I C 2.023 178.140 176.117 0.000 0.000 1.091 291 I CA 1.561 62.917 61.300 0.094 0.000 1.368 291 I CB -0.585 37.468 38.000 0.089 0.000 1.058 291 I HN 0.295 nan 8.210 nan 0.000 0.410 292 D N 0.750 121.119 120.400 -0.051 0.000 2.265 292 D HA -0.112 4.527 4.640 -0.001 0.000 0.208 292 D C 1.932 178.179 176.300 -0.088 0.000 0.977 292 D CA 1.148 55.101 54.000 -0.079 0.000 0.871 292 D CB -0.079 40.654 40.800 -0.111 0.000 0.925 292 D HN 0.359 nan 8.370 nan 0.000 0.485 293 L N -1.113 120.064 121.223 -0.076 0.000 2.607 293 L HA 0.258 4.597 4.340 -0.001 0.000 0.228 293 L C 1.501 178.341 176.870 -0.050 0.000 1.123 293 L CA 0.287 55.085 54.840 -0.071 0.000 0.890 293 L CB 0.375 42.387 42.059 -0.079 0.000 1.103 293 L HN 0.130 nan 8.230 nan 0.000 0.468 294 G N -1.397 107.391 108.800 -0.021 0.000 2.229 294 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.189 294 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.189 294 G C -0.210 174.713 174.900 0.039 0.000 1.000 294 G CA -0.569 44.523 45.100 -0.014 0.000 0.663 294 G HN 0.209 nan 8.290 nan 0.000 0.493 295 W N 3.905 125.132 121.300 -0.121 0.000 2.216 295 W HA 0.641 5.300 4.660 -0.001 0.000 0.326 295 W C 0.079 176.546 176.519 -0.087 0.000 1.319 295 W CA -0.524 56.757 57.345 -0.106 0.000 1.213 295 W CB 0.721 30.114 29.460 -0.111 0.000 1.171 295 W HN -0.115 nan 8.180 nan 0.000 0.557 296 K N 8.648 128.643 120.400 -0.674 0.000 2.285 296 K HA 0.252 4.572 4.320 -0.001 0.000 0.286 296 K C -2.222 173.650 176.600 -1.212 0.000 1.072 296 K CA -1.990 53.889 56.287 -0.680 0.000 0.913 296 K CB 0.352 32.580 32.500 -0.454 0.000 1.067 296 K HN 0.339 nan 8.250 nan 0.000 0.479 297 P HA 0.176 nan 4.420 nan 0.000 0.274 297 P C -0.352 176.356 177.300 -0.988 0.000 1.231 297 P CA -0.254 62.214 63.100 -1.054 0.000 0.790 297 P CB 0.985 32.152 31.700 -0.889 0.000 0.951 298 K N 0.546 120.454 120.400 -0.820 0.000 2.402 298 K HA 0.118 4.437 4.320 -0.001 0.000 0.204 298 K C -0.304 176.034 176.600 -0.437 0.000 1.056 298 K CA -0.144 55.867 56.287 -0.460 0.000 1.069 298 K CB -0.123 32.279 32.500 -0.162 0.000 0.888 298 K HN 0.254 nan 8.250 nan 0.000 0.546 299 Y N 0.069 119.838 120.300 -0.885 0.000 3.721 299 Y HA -0.280 4.269 4.550 -0.001 0.000 0.218 299 Y C 0.805 176.543 175.900 -0.269 0.000 1.188 299 Y CA 0.627 58.170 58.100 -0.928 0.000 1.607 299 Y CB -2.311 35.822 38.460 -0.544 0.000 1.496 299 Y HN 0.203 nan 8.280 nan 0.000 0.626 300 G N -0.432 108.419 108.800 0.086 0.000 2.535 300 G HA2 0.464 4.423 3.960 -0.001 0.000 0.303 300 G HA3 0.464 4.423 3.960 -0.001 0.000 0.303 300 G C 0.717 175.729 174.900 0.188 0.000 1.237 300 G CA -0.463 44.729 45.100 0.154 0.000 0.986 300 G HN 0.308 nan 8.290 nan 0.000 0.494 301 R N -1.463 119.032 120.500 -0.009 0.000 2.223 301 R HA 0.175 4.514 4.340 -0.001 0.000 0.198 301 R C -0.053 175.836 176.300 -0.686 0.000 0.984 301 R CA 0.493 56.407 56.100 -0.310 0.000 1.018 301 R CB 0.042 30.060 30.300 -0.470 0.000 0.945 301 R HN 0.375 nan 8.270 nan 0.000 0.479 302 F N 0.875 120.785 119.950 -0.068 0.000 2.566 302 F HA 0.291 4.817 4.527 -0.001 0.000 0.347 302 F C -1.073 174.630 175.800 -0.163 0.000 1.515 302 F CA -1.228 56.432 58.000 -0.567 0.000 1.103 302 F CB 0.745 39.264 39.000 -0.802 0.000 1.385 302 F HN -0.278 nan 8.300 nan 0.000 0.560 303 D N 1.391 121.952 120.400 0.269 0.000 2.249 303 D HA 0.249 4.889 4.640 -0.001 0.000 0.246 303 D C 0.117 176.685 176.300 0.447 0.000 1.114 303 D CA -0.082 54.156 54.000 0.397 0.000 0.854 303 D CB 2.717 43.815 40.800 0.497 0.000 1.132 303 D HN -0.068 nan 8.370 nan 0.000 0.461 304 V N 2.997 123.137 119.914 0.376 0.000 2.479 304 V HA 0.041 4.160 4.120 -0.001 0.000 0.281 304 V C 0.898 176.984 176.094 -0.013 0.000 1.031 304 V CA -0.523 61.872 62.300 0.159 0.000 1.038 304 V CB 0.974 32.842 31.823 0.074 0.000 0.981 304 V HN 0.352 nan 8.190 nan 0.000 0.478 305 V N 5.384 125.181 119.914 -0.194 0.000 3.003 305 V HA 0.520 4.639 4.120 -0.001 0.000 0.305 305 V C -1.724 174.112 176.094 -0.430 0.000 1.078 305 V CA -1.555 60.426 62.300 -0.532 0.000 1.083 305 V CB 0.611 32.202 31.823 -0.387 0.000 1.039 305 V HN 0.755 nan 8.190 nan 0.000 0.481 306 P HA 0.339 nan 4.420 nan 0.000 0.276 306 P C -0.675 176.545 177.300 -0.133 0.000 1.252 306 P CA -0.580 62.317 63.100 -0.339 0.000 0.802 306 P CB 0.899 32.329 31.700 -0.451 0.000 1.035 307 L N 0.968 122.182 121.223 -0.015 0.000 2.331 307 L HA 0.234 4.573 4.340 -0.001 0.000 0.278 307 L C 0.167 177.083 176.870 0.075 0.000 1.106 307 L CA -0.715 54.169 54.840 0.074 0.000 0.824 307 L CB 0.940 43.084 42.059 0.142 0.000 1.142 307 L HN 0.092 nan 8.230 nan 0.000 0.443 308 V N 5.951 125.930 119.914 0.108 0.000 2.311 308 V HA 0.360 4.479 4.120 -0.001 0.000 0.275 308 V C 0.087 176.133 176.094 -0.080 0.000 1.022 308 V CA -0.335 61.953 62.300 -0.021 0.000 0.830 308 V CB 1.173 33.027 31.823 0.052 0.000 1.012 308 V HN 0.497 nan 8.190 nan 0.000 0.452 309 L N 4.907 126.064 121.223 -0.109 0.000 2.322 309 L HA 0.621 4.960 4.340 -0.001 0.000 0.281 309 L C -0.161 176.546 176.870 -0.271 0.000 1.014 309 L CA -0.356 54.409 54.840 -0.125 0.000 0.815 309 L CB 1.853 43.903 42.059 -0.015 0.000 1.247 309 L HN 0.604 nan 8.230 nan 0.000 0.421 310 Q N 2.804 122.439 119.800 -0.275 0.000 2.322 310 Q HA 0.739 5.079 4.340 -0.001 0.000 0.265 310 Q C -1.423 174.393 176.000 -0.308 0.000 0.985 310 Q CA -0.600 55.024 55.803 -0.298 0.000 0.849 310 Q CB 2.183 30.824 28.738 -0.161 0.000 1.274 310 Q HN 0.778 nan 8.270 nan 0.000 0.449 311 A N 3.900 126.467 122.820 -0.423 0.000 2.355 311 A HA 0.449 4.768 4.320 -0.001 0.000 0.317 311 A C -0.079 176.942 177.584 -0.938 0.000 1.094 311 A CA -0.508 51.011 52.037 -0.863 0.000 0.764 311 A CB 1.011 19.731 19.000 -0.467 0.000 1.230 311 A HN 1.032 nan 8.150 nan 0.000 0.448 312 N N 0.502 118.197 118.700 -1.675 0.000 2.710 312 N HA -0.191 4.548 4.740 -0.001 0.000 0.249 312 N C 1.054 176.447 175.510 -0.195 0.000 1.059 312 N CA 2.500 55.203 53.050 -0.578 0.000 0.720 312 N CB -0.996 37.369 38.487 -0.203 0.000 0.983 312 N HN 2.271 nan 8.380 nan 0.000 0.544 313 G N -1.630 107.036 108.800 -0.223 0.000 2.196 313 G HA2 -0.408 3.552 3.960 -0.001 0.000 0.268 313 G HA3 -0.408 3.552 3.960 -0.001 0.000 0.268 313 G C 0.495 175.355 174.900 -0.067 0.000 0.975 313 G CA 0.832 45.860 45.100 -0.119 0.000 0.648 313 G HN 0.661 nan 8.290 nan 0.000 0.538 314 R N 0.452 120.880 120.500 -0.119 0.000 2.726 314 R HA 0.343 4.682 4.340 -0.001 0.000 0.272 314 R C -0.033 176.201 176.300 -0.111 0.000 1.097 314 R CA -0.453 55.601 56.100 -0.077 0.000 1.198 314 R CB 0.212 30.453 30.300 -0.099 0.000 1.114 314 R HN 0.187 nan 8.270 nan 0.000 0.550 315 D N 2.340 122.692 120.400 -0.080 0.000 2.423 315 D HA 0.057 4.696 4.640 -0.001 0.000 0.238 315 D C -1.958 174.113 176.300 -0.382 0.000 1.142 315 D CA -0.911 52.949 54.000 -0.233 0.000 0.884 315 D CB 0.251 41.064 40.800 0.021 0.000 1.199 315 D HN 0.245 nan 8.370 nan 0.000 0.438 316 P HA 0.112 nan 4.420 nan 0.000 0.272 316 P C -0.661 176.416 177.300 -0.370 0.000 1.223 316 P CA -0.106 62.582 63.100 -0.687 0.000 0.784 316 P CB 1.041 31.944 31.700 -1.329 0.000 0.923 317 E N 0.855 120.893 120.200 -0.270 0.000 2.256 317 E HA 0.475 4.824 4.350 -0.001 0.000 0.267 317 E C -0.574 175.852 176.600 -0.290 0.000 0.892 317 E CA -0.944 55.313 56.400 -0.239 0.000 0.775 317 E CB 1.626 31.254 29.700 -0.120 0.000 1.207 317 E HN 0.368 nan 8.360 nan 0.000 0.420 318 L N 2.788 123.733 121.223 -0.462 0.000 2.325 318 L HA 0.513 4.852 4.340 -0.001 0.000 0.279 318 L C -0.891 175.516 176.870 -0.773 0.000 1.054 318 L CA -0.416 54.177 54.840 -0.413 0.000 0.804 318 L CB 0.398 42.286 42.059 -0.284 0.000 1.200 318 L HN 0.483 nan 8.230 nan 0.000 0.436 319 F N 0.541 120.328 119.950 -0.271 0.000 2.574 319 F HA 0.331 4.858 4.527 -0.001 0.000 0.313 319 F C 0.078 175.700 175.800 -0.296 0.000 1.130 319 F CA -0.714 57.012 58.000 -0.457 0.000 0.936 319 F CB 1.900 40.411 39.000 -0.815 0.000 1.219 319 F HN 0.385 nan 8.300 nan 0.000 0.445 320 E N 3.589 123.737 120.200 -0.087 0.000 2.249 320 E HA 0.433 4.782 4.350 -0.001 0.000 0.280 320 E C -0.499 176.192 176.600 0.151 0.000 1.016 320 E CA -0.605 55.815 56.400 0.034 0.000 0.830 320 E CB 1.807 31.558 29.700 0.085 0.000 1.081 320 E HN 0.461 nan 8.360 nan 0.000 0.395 321 I N 4.547 125.222 120.570 0.175 0.000 2.496 321 I HA 0.085 4.254 4.170 -0.001 0.000 0.285 321 I C -2.012 174.214 176.117 0.182 0.000 1.080 321 I CA -1.908 59.534 61.300 0.236 0.000 1.404 321 I CB 0.296 38.365 38.000 0.115 0.000 1.403 321 I HN 0.188 nan 8.210 nan 0.000 0.539 322 P HA 0.050 nan 4.420 nan 0.000 0.263 322 P C -2.004 175.354 177.300 0.097 0.000 1.195 322 P CA -0.763 62.421 63.100 0.140 0.000 0.762 322 P CB 0.164 31.938 31.700 0.123 0.000 0.799 323 P HA -0.217 nan 4.420 nan 0.000 0.217 323 P C 0.677 178.015 177.300 0.062 0.000 1.148 323 P CA 1.465 64.613 63.100 0.081 0.000 0.834 323 P CB -0.012 31.738 31.700 0.083 0.000 0.783 324 D N -1.390 119.043 120.400 0.054 0.000 2.348 324 D HA -0.020 4.619 4.640 -0.001 0.000 0.216 324 D C 1.620 177.940 176.300 0.033 0.000 0.970 324 D CA 0.726 54.750 54.000 0.040 0.000 0.889 324 D CB -0.129 40.692 40.800 0.035 0.000 0.912 324 D HN 0.286 nan 8.370 nan 0.000 0.524 325 L N 0.310 121.554 121.223 0.034 0.000 2.567 325 L HA 0.078 4.417 4.340 -0.001 0.000 0.225 325 L C 0.429 177.313 176.870 0.022 0.000 1.119 325 L CA 0.120 54.974 54.840 0.022 0.000 0.871 325 L CB 0.628 42.693 42.059 0.010 0.000 1.036 325 L HN -0.228 nan 8.230 nan 0.000 0.459 326 V N 2.161 122.094 119.914 0.031 0.000 2.304 326 V HA 0.143 4.262 4.120 -0.001 0.000 0.262 326 V C 0.052 176.174 176.094 0.046 0.000 1.061 326 V CA -0.501 61.817 62.300 0.030 0.000 0.872 326 V CB 1.213 33.053 31.823 0.028 0.000 1.077 326 V HN 0.053 nan 8.190 nan 0.000 0.480 327 L N 5.707 126.959 121.223 0.049 0.000 2.360 327 L HA 0.450 4.789 4.340 -0.001 0.000 0.276 327 L C 0.140 177.042 176.870 0.052 0.000 1.121 327 L CA 0.739 55.602 54.840 0.039 0.000 0.845 327 L CB 0.456 42.533 42.059 0.031 0.000 1.143 327 L HN 0.654 nan 8.230 nan 0.000 0.452 328 E N 3.474 123.686 120.200 0.019 0.000 2.288 328 E HA 0.536 4.886 4.350 -0.001 0.000 0.268 328 E C -1.442 175.107 176.600 -0.085 0.000 0.885 328 E CA -0.999 55.409 56.400 0.014 0.000 0.767 328 E CB 2.499 32.237 29.700 0.063 0.000 1.220 328 E HN 0.368 nan 8.360 nan 0.000 0.427 329 V N 1.880 121.706 119.914 -0.147 0.000 2.384 329 V HA 0.448 4.567 4.120 -0.001 0.000 0.287 329 V C -0.092 175.952 176.094 -0.083 0.000 1.020 329 V CA -0.690 61.469 62.300 -0.235 0.000 0.850 329 V CB 1.258 32.701 31.823 -0.632 0.000 0.987 329 V HN 0.797 nan 8.190 nan 0.000 0.436 330 A N 7.194 129.980 122.820 -0.058 0.000 2.401 330 A HA 0.670 4.989 4.320 -0.001 0.000 0.259 330 A C 0.066 177.677 177.584 0.046 0.000 1.103 330 A CA -0.357 51.676 52.037 -0.007 0.000 0.789 330 A CB 0.209 19.207 19.000 -0.003 0.000 1.035 330 A HN 0.702 nan 8.150 nan 0.000 0.491 331 M N 2.296 121.964 119.600 0.114 0.000 2.180 331 M HA 0.378 4.857 4.480 -0.001 0.000 0.358 331 M C 0.035 176.475 176.300 0.234 0.000 1.233 331 M CA 0.526 55.945 55.300 0.198 0.000 1.114 331 M CB 0.338 33.134 32.600 0.326 0.000 1.594 331 M HN 0.772 nan 8.290 nan 0.000 0.467 332 E N 0.762 121.056 120.200 0.158 0.000 2.408 332 E HA 0.391 4.740 4.350 -0.001 0.000 0.275 332 E C -1.237 175.332 176.600 -0.051 0.000 0.935 332 E CA -0.783 55.706 56.400 0.148 0.000 0.775 332 E CB 2.790 32.582 29.700 0.153 0.000 1.277 332 E HN 0.528 nan 8.360 nan 0.000 0.455 333 H N 2.625 121.564 119.070 -0.219 0.000 2.469 333 H HA 0.228 4.784 4.556 -0.001 0.000 0.342 333 H C -1.858 173.248 175.328 -0.370 0.000 1.115 333 H CA -2.300 53.510 56.048 -0.396 0.000 1.204 333 H CB 1.844 31.349 29.762 -0.429 0.000 1.492 333 H HN 0.328 nan 8.280 nan 0.000 0.499 334 P HA -0.125 nan 4.420 nan 0.000 0.218 334 P C 0.646 177.829 177.300 -0.196 0.000 1.149 334 P CA 1.139 63.867 63.100 -0.620 0.000 0.817 334 P CB 0.793 32.010 31.700 -0.805 0.000 0.785 335 K N -1.312 119.112 120.400 0.041 0.000 2.329 335 K HA 0.105 4.424 4.320 -0.001 0.000 0.198 335 K C 0.681 177.061 176.600 -0.367 0.000 1.085 335 K CA 0.386 56.548 56.287 -0.207 0.000 0.961 335 K CB -0.391 31.873 32.500 -0.393 0.000 0.971 335 K HN 0.278 nan 8.250 nan 0.000 0.502 336 Y N 2.403 122.548 120.300 -0.259 0.000 2.477 336 Y HA 0.158 4.707 4.550 -0.001 0.000 0.349 336 Y C 1.296 176.867 175.900 -0.548 0.000 0.977 336 Y CA -0.319 57.413 58.100 -0.613 0.000 1.214 336 Y CB 0.754 38.428 38.460 -1.310 0.000 1.124 336 Y HN 0.041 nan 8.280 nan 0.000 0.521 337 E N 3.466 123.563 120.200 -0.172 0.000 2.204 337 E HA -0.185 4.165 4.350 -0.001 0.000 0.195 337 E C 1.382 177.978 176.600 -0.008 0.000 0.990 337 E CA 1.234 57.608 56.400 -0.043 0.000 0.821 337 E CB -0.062 29.665 29.700 0.045 0.000 0.750 337 E HN 0.882 nan 8.360 nan 0.000 0.477 338 W N -0.137 121.264 121.300 0.169 0.000 2.525 338 W HA -0.061 4.598 4.660 -0.001 0.000 0.259 338 W C 1.386 177.961 176.519 0.094 0.000 1.253 338 W CA -0.126 57.281 57.345 0.103 0.000 1.262 338 W CB -0.932 28.562 29.460 0.056 0.000 1.122 338 W HN -0.028 nan 8.180 nan 0.000 0.607 339 F N 3.585 123.275 119.950 -0.432 0.000 2.154 339 F HA -0.272 4.255 4.527 -0.001 0.000 0.301 339 F C 2.902 178.700 175.800 -0.004 0.000 1.087 339 F CA 3.196 61.035 58.000 -0.269 0.000 1.274 339 F CB -0.249 38.526 39.000 -0.375 0.000 1.009 339 F HN -0.144 nan 8.300 nan 0.000 0.485 340 R N 0.258 120.865 120.500 0.178 0.000 2.193 340 R HA -0.149 4.190 4.340 -0.001 0.000 0.229 340 R C 1.582 177.933 176.300 0.086 0.000 1.110 340 R CA 1.790 57.976 56.100 0.143 0.000 0.988 340 R CB -1.012 29.361 30.300 0.122 0.000 0.871 340 R HN 0.328 nan 8.270 nan 0.000 0.458 341 E N 1.140 121.397 120.200 0.095 0.000 2.338 341 E HA -0.065 4.284 4.350 -0.001 0.000 0.197 341 E C 1.672 178.294 176.600 0.038 0.000 1.007 341 E CA 0.683 57.133 56.400 0.082 0.000 0.849 341 E CB -0.023 29.751 29.700 0.122 0.000 0.774 341 E HN 0.418 nan 8.360 nan 0.000 0.506 342 L N 0.574 121.780 121.223 -0.028 0.000 2.376 342 L HA -0.039 4.301 4.340 -0.001 0.000 0.219 342 L C 0.244 177.114 176.870 -0.001 0.000 1.133 342 L CA 0.377 55.170 54.840 -0.079 0.000 0.816 342 L CB -0.329 41.556 42.059 -0.290 0.000 0.933 342 L HN 0.078 nan 8.230 nan 0.000 0.449 343 E N 0.993 121.210 120.200 0.028 0.000 2.230 343 E HA -0.204 4.145 4.350 -0.001 0.000 0.206 343 E C -0.624 176.033 176.600 0.095 0.000 1.309 343 E CA 0.086 56.531 56.400 0.075 0.000 0.697 343 E CB -1.523 28.241 29.700 0.107 0.000 1.146 343 E HN 0.416 nan 8.360 nan 0.000 0.363 344 L N 0.814 122.051 121.223 0.023 0.000 2.331 344 L HA 0.629 4.969 4.340 -0.001 0.000 0.275 344 L C 0.470 177.272 176.870 -0.114 0.000 1.022 344 L CA -0.537 54.274 54.840 -0.049 0.000 0.812 344 L CB 1.429 43.403 42.059 -0.143 0.000 1.257 344 L HN 0.171 nan 8.230 nan 0.000 0.435 345 K N 0.415 120.602 120.400 -0.355 0.000 2.533 345 K HA 0.561 4.880 4.320 -0.001 0.000 0.284 345 K C -1.945 174.706 176.600 0.085 0.000 1.025 345 K CA -1.050 55.144 56.287 -0.156 0.000 0.900 345 K CB 2.481 34.811 32.500 -0.283 0.000 1.519 345 K HN 0.561 nan 8.250 nan 0.000 0.432 346 W N 1.357 122.626 121.300 -0.052 0.000 3.146 346 W HA 0.308 4.967 4.660 -0.001 0.000 0.319 346 W C -1.378 175.154 176.519 0.021 0.000 1.258 346 W CA -0.782 56.553 57.345 -0.017 0.000 1.189 346 W CB 1.595 30.919 29.460 -0.226 0.000 1.412 346 W HN 0.688 nan 8.180 nan 0.000 0.567 347 Y N 0.921 121.091 120.300 -0.216 0.000 2.326 347 Y HA 0.540 5.089 4.550 -0.001 0.000 0.333 347 Y C 0.791 176.887 175.900 0.327 0.000 1.240 347 Y CA 0.075 58.156 58.100 -0.033 0.000 1.365 347 Y CB 0.232 38.547 38.460 -0.242 0.000 1.289 347 Y HN 0.334 nan 8.280 nan 0.000 0.548 348 A N 2.155 125.220 122.820 0.409 0.000 2.132 348 A HA 0.133 4.452 4.320 -0.001 0.000 0.213 348 A C 0.336 178.258 177.584 0.563 0.000 1.154 348 A CA 0.158 52.502 52.037 0.511 0.000 0.753 348 A CB -0.202 18.940 19.000 0.237 0.000 0.826 348 A HN 0.657 nan 8.150 nan 0.000 0.469 349 L N 2.063 123.552 121.223 0.445 0.000 2.277 349 L HA 0.427 4.767 4.340 -0.001 0.000 0.284 349 L C -2.584 174.378 176.870 0.153 0.000 1.028 349 L CA -2.204 52.786 54.840 0.251 0.000 0.835 349 L CB 1.581 43.724 42.059 0.140 0.000 1.215 349 L HN -0.042 nan 8.230 nan 0.000 0.425 350 P HA 0.383 nan 4.420 nan 0.000 0.292 350 P C -1.463 175.715 177.300 -0.204 0.000 1.326 350 P CA -0.337 62.559 63.100 -0.340 0.000 0.787 350 P CB 1.474 32.573 31.700 -1.002 0.000 0.903 351 A N 4.202 126.918 122.820 -0.174 0.000 2.357 351 A HA 0.483 4.802 4.320 -0.001 0.000 0.295 351 A C -0.501 176.869 177.584 -0.356 0.000 1.121 351 A CA -0.689 51.189 52.037 -0.265 0.000 0.742 351 A CB 1.242 20.088 19.000 -0.256 0.000 1.181 351 A HN 0.301 nan 8.150 nan 0.000 0.454 352 V N 2.309 121.862 119.914 -0.602 0.000 2.432 352 V HA 0.450 4.570 4.120 -0.001 0.000 0.271 352 V C 1.092 176.760 176.094 -0.710 0.000 1.046 352 V CA 0.796 62.696 62.300 -0.667 0.000 0.945 352 V CB 1.006 32.292 31.823 -0.895 0.000 0.992 352 V HN 1.148 nan 8.190 nan 0.000 0.471 353 A N 4.178 126.773 122.820 -0.375 0.000 2.469 353 A HA 0.181 4.500 4.320 -0.001 0.000 0.245 353 A C 1.223 178.748 177.584 -0.098 0.000 1.221 353 A CA 0.180 52.076 52.037 -0.235 0.000 0.946 353 A CB -0.026 18.884 19.000 -0.150 0.000 1.049 353 A HN 0.799 nan 8.150 nan 0.000 0.529 354 N N -0.641 118.006 118.700 -0.089 0.000 2.204 354 N HA 0.225 4.964 4.740 -0.001 0.000 0.219 354 N C 0.057 175.597 175.510 0.050 0.000 1.151 354 N CA -0.136 52.913 53.050 -0.001 0.000 0.867 354 N CB -0.290 38.188 38.487 -0.014 0.000 1.043 354 N HN 0.362 nan 8.380 nan 0.000 0.516 355 M N 0.513 120.143 119.600 0.050 0.000 2.283 355 M HA 0.343 4.822 4.480 -0.001 0.000 0.314 355 M C -0.380 176.049 176.300 0.216 0.000 1.153 355 M CA -0.789 54.596 55.300 0.143 0.000 1.084 355 M CB 1.840 34.525 32.600 0.142 0.000 1.468 355 M HN 0.066 nan 8.290 nan 0.000 0.474 356 L N 2.359 123.743 121.223 0.268 0.000 2.322 356 L HA 0.554 4.893 4.340 -0.001 0.000 0.281 356 L C -1.473 175.617 176.870 0.368 0.000 1.014 356 L CA -1.002 54.013 54.840 0.292 0.000 0.815 356 L CB 1.395 43.587 42.059 0.221 0.000 1.247 356 L HN 0.580 nan 8.230 nan 0.000 0.421 357 L N 4.976 126.413 121.223 0.357 0.000 2.275 357 L HA 0.472 4.812 4.340 -0.001 0.000 0.288 357 L C -0.457 176.571 176.870 0.263 0.000 1.046 357 L CA 0.359 55.347 54.840 0.246 0.000 0.805 357 L CB 1.101 43.270 42.059 0.184 0.000 1.193 357 L HN 0.629 nan 8.230 nan 0.000 0.426 358 E N 4.943 125.267 120.200 0.205 0.000 2.158 358 E HA 0.520 4.869 4.350 -0.001 0.000 0.271 358 E C -1.897 174.763 176.600 0.099 0.000 0.911 358 E CA -0.431 56.086 56.400 0.194 0.000 0.767 358 E CB 1.867 31.765 29.700 0.330 0.000 1.120 358 E HN 0.521 nan 8.360 nan 0.000 0.405 359 V N 3.040 122.981 119.914 0.045 0.000 2.752 359 V HA 0.508 4.628 4.120 -0.001 0.000 0.302 359 V C 0.331 176.359 176.094 -0.111 0.000 1.133 359 V CA 0.458 62.703 62.300 -0.093 0.000 0.919 359 V CB 1.344 33.011 31.823 -0.260 0.000 1.026 359 V HN 0.860 nan 8.190 nan 0.000 0.429 360 G N 4.291 113.088 108.800 -0.006 0.000 2.379 360 G HA2 0.054 4.013 3.960 -0.001 0.000 0.297 360 G HA3 0.054 4.013 3.960 -0.001 0.000 0.297 360 G C 1.661 176.687 174.900 0.210 0.000 1.004 360 G CA 1.466 46.687 45.100 0.201 0.000 0.921 360 G HN 2.767 nan 8.290 nan 0.000 0.511 361 G N -1.903 106.964 108.800 0.112 0.000 2.267 361 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.257 361 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.257 361 G C 0.599 175.506 174.900 0.011 0.000 0.998 361 G CA 0.550 45.697 45.100 0.078 0.000 0.620 361 G HN 1.271 nan 8.290 nan 0.000 0.529 362 L N 0.813 122.010 121.223 -0.043 0.000 2.417 362 L HA 0.504 4.843 4.340 -0.001 0.000 0.268 362 L C 0.436 177.182 176.870 -0.207 0.000 1.158 362 L CA -0.042 54.668 54.840 -0.216 0.000 0.819 362 L CB 0.810 42.640 42.059 -0.382 0.000 1.112 362 L HN 0.214 nan 8.230 nan 0.000 0.458 363 E N 2.607 122.610 120.200 -0.328 0.000 2.191 363 E HA 0.347 4.696 4.350 -0.001 0.000 0.263 363 E C -1.507 174.881 176.600 -0.353 0.000 0.881 363 E CA -0.391 55.884 56.400 -0.207 0.000 0.757 363 E CB 1.604 31.233 29.700 -0.119 0.000 1.147 363 E HN 0.264 nan 8.360 nan 0.000 0.414 364 F N 4.325 124.286 119.950 0.019 0.000 2.311 364 F HA 0.254 4.781 4.527 -0.001 0.000 0.371 364 F C -1.438 174.429 175.800 0.112 0.000 1.083 364 F CA -2.089 55.943 58.000 0.053 0.000 1.113 364 F CB 1.269 40.287 39.000 0.032 0.000 1.349 364 F HN 0.349 nan 8.300 nan 0.000 0.470 365 P HA 0.052 nan 4.420 nan 0.000 0.245 365 P C 0.455 177.909 177.300 0.256 0.000 1.212 365 P CA 0.552 63.778 63.100 0.210 0.000 0.774 365 P CB 0.588 32.374 31.700 0.143 0.000 0.999 366 G N 0.362 109.369 108.800 0.344 0.000 2.814 366 G HA2 0.442 4.402 3.960 -0.001 0.000 0.300 366 G HA3 0.442 4.402 3.960 -0.001 0.000 0.300 366 G C -0.409 174.745 174.900 0.423 0.000 1.406 366 G CA -0.407 44.948 45.100 0.425 0.000 1.041 366 G HN 0.245 nan 8.290 nan 0.000 0.532 367 C N 1.465 120.940 119.300 0.291 0.000 3.173 367 C HA 0.457 4.916 4.460 -0.001 0.000 0.209 367 C C -2.505 172.566 174.990 0.136 0.000 1.229 367 C CA -2.049 57.076 59.018 0.179 0.000 1.109 367 C CB 0.453 28.316 27.740 0.205 0.000 1.833 367 C HN 0.502 nan 8.230 nan 0.000 0.626 368 P HA 0.342 nan 4.420 nan 0.000 0.268 368 P C -0.588 176.714 177.300 0.003 0.000 1.204 368 P CA 0.949 63.986 63.100 -0.104 0.000 0.768 368 P CB 0.489 32.143 31.700 -0.078 0.000 0.842 369 F N 0.535 120.421 119.950 -0.107 0.000 2.613 369 F HA 0.674 5.200 4.527 -0.001 0.000 0.314 369 F C -0.673 175.029 175.800 -0.163 0.000 1.075 369 F CA -1.232 56.703 58.000 -0.107 0.000 0.945 369 F CB 1.666 40.460 39.000 -0.343 0.000 1.310 369 F HN 0.343 nan 8.300 nan 0.000 0.467 370 N N -0.057 118.735 118.700 0.152 0.000 2.416 370 N HA 0.748 5.487 4.740 -0.001 0.000 0.276 370 N C -1.166 174.289 175.510 -0.092 0.000 1.261 370 N CA -0.468 52.589 53.050 0.011 0.000 0.790 370 N CB 2.152 40.678 38.487 0.064 0.000 1.554 370 N HN 1.060 nan 8.380 nan 0.000 0.481 371 G N -0.728 107.970 108.800 -0.171 0.000 3.259 371 G HA2 0.673 4.632 3.960 -0.001 0.000 0.178 371 G HA3 0.673 4.632 3.960 -0.001 0.000 0.178 371 G C -1.773 173.062 174.900 -0.108 0.000 1.129 371 G CA -0.764 44.139 45.100 -0.328 0.000 0.816 371 G HN 0.706 nan 8.290 nan 0.000 0.634 372 W N -1.664 119.630 121.300 -0.011 0.000 2.882 372 W HA 0.809 5.469 4.660 -0.001 0.000 0.345 372 W C -1.414 175.097 176.519 -0.013 0.000 1.125 372 W CA -2.160 55.196 57.345 0.019 0.000 1.167 372 W CB 0.393 29.901 29.460 0.079 0.000 1.431 372 W HN 0.416 nan 8.180 nan 0.000 0.543 373 Y N 2.337 122.807 120.300 0.283 0.000 2.457 373 Y HA 0.228 4.777 4.550 -0.001 0.000 0.341 373 Y C 0.772 176.718 175.900 0.076 0.000 1.240 373 Y CA -0.358 57.792 58.100 0.084 0.000 1.437 373 Y CB 0.965 39.376 38.460 -0.083 0.000 1.328 373 Y HN 0.452 nan 8.280 nan 0.000 0.588 374 M N 1.944 121.687 119.600 0.239 0.000 2.205 374 M HA 0.372 4.852 4.480 -0.001 0.000 0.344 374 M C 1.060 177.356 176.300 -0.007 0.000 1.085 374 M CA -0.135 55.234 55.300 0.115 0.000 1.001 374 M CB 1.384 34.032 32.600 0.081 0.000 1.626 374 M HN 0.833 nan 8.290 nan 0.000 0.442 375 G N 1.586 110.332 108.800 -0.089 0.000 2.505 375 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.220 375 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.220 375 G C 1.136 175.897 174.900 -0.231 0.000 1.145 375 G CA 1.779 46.750 45.100 -0.214 0.000 0.761 375 G HN 0.880 nan 8.290 nan 0.000 0.571 376 T N -0.710 113.743 114.554 -0.170 0.000 2.849 376 T HA -0.059 4.291 4.350 -0.001 0.000 0.270 376 T C 1.917 176.468 174.700 -0.248 0.000 1.066 376 T CA 1.606 63.567 62.100 -0.232 0.000 1.130 376 T CB -0.288 68.407 68.868 -0.287 0.000 0.864 376 T HN 0.537 nan 8.240 nan 0.000 0.481 377 E N 0.916 120.987 120.200 -0.214 0.000 2.085 377 E HA -0.060 4.289 4.350 -0.001 0.000 0.194 377 E C 2.099 178.439 176.600 -0.434 0.000 0.994 377 E CA 1.411 57.688 56.400 -0.205 0.000 0.801 377 E CB -0.283 29.428 29.700 0.018 0.000 0.743 377 E HN 0.604 nan 8.360 nan 0.000 0.453 378 I N 0.215 120.379 120.570 -0.677 0.000 2.385 378 I HA -0.041 4.128 4.170 -0.001 0.000 0.244 378 I C 2.600 178.183 176.117 -0.891 0.000 1.089 378 I CA 0.784 61.408 61.300 -1.126 0.000 1.410 378 I CB -0.478 36.706 38.000 -1.359 0.000 1.117 378 I HN 0.090 nan 8.210 nan 0.000 0.429 379 G N 0.903 109.414 108.800 -0.481 0.000 2.421 379 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.216 379 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.216 379 G C 1.621 176.471 174.900 -0.084 0.000 1.171 379 G CA 1.201 46.211 45.100 -0.151 0.000 0.775 379 G HN 0.213 nan 8.290 nan 0.000 0.543 380 V N 0.497 120.312 119.914 -0.165 0.000 2.341 380 V HA 0.025 4.144 4.120 -0.001 0.000 0.240 380 V C 2.878 178.900 176.094 -0.121 0.000 1.035 380 V CA 1.225 63.451 62.300 -0.123 0.000 1.033 380 V CB -0.432 31.292 31.823 -0.164 0.000 0.678 380 V HN 0.125 nan 8.190 nan 0.000 0.464 381 R N 0.790 121.181 120.500 -0.181 0.000 2.056 381 R HA -0.067 4.273 4.340 -0.001 0.000 0.227 381 R C 2.009 178.232 176.300 -0.130 0.000 1.149 381 R CA 1.659 57.671 56.100 -0.146 0.000 0.937 381 R CB -1.248 28.958 30.300 -0.156 0.000 0.835 381 R HN 0.504 nan 8.270 nan 0.000 0.430 382 D N 0.274 120.491 120.400 -0.305 0.000 2.097 382 D HA -0.128 4.512 4.640 -0.001 0.000 0.195 382 D C 1.912 178.200 176.300 -0.020 0.000 0.989 382 D CA 1.145 54.954 54.000 -0.318 0.000 0.827 382 D CB -0.168 39.954 40.800 -1.130 0.000 0.966 382 D HN 0.095 nan 8.370 nan 0.000 0.456 383 F N 0.316 120.184 119.950 -0.137 0.000 2.335 383 F HA 0.022 4.549 4.527 -0.001 0.000 0.296 383 F C 2.389 178.231 175.800 0.070 0.000 1.091 383 F CA -0.130 57.875 58.000 0.009 0.000 1.399 383 F CB -0.589 38.395 39.000 -0.027 0.000 1.067 383 F HN 0.030 nan 8.300 nan 0.000 0.520 384 C N -1.274 118.144 119.300 0.197 0.000 2.912 384 C HA 0.199 4.658 4.460 -0.001 0.000 0.274 384 C C 0.416 175.451 174.990 0.075 0.000 1.248 384 C CA -0.709 58.382 59.018 0.122 0.000 1.694 384 C CB -0.665 27.114 27.740 0.065 0.000 2.024 384 C HN 0.065 nan 8.230 nan 0.000 0.605 385 D N 1.493 121.931 120.400 0.064 0.000 2.455 385 D HA 0.090 4.729 4.640 -0.001 0.000 0.241 385 D C 1.457 177.796 176.300 0.065 0.000 1.138 385 D CA 0.229 54.254 54.000 0.041 0.000 0.877 385 D CB 1.052 41.872 40.800 0.034 0.000 1.187 385 D HN 0.214 nan 8.370 nan 0.000 0.451 386 V N 1.819 121.760 119.914 0.045 0.000 2.594 386 V HA -0.211 3.908 4.120 -0.001 0.000 0.253 386 V C 1.657 177.781 176.094 0.049 0.000 1.069 386 V CA 1.375 63.705 62.300 0.051 0.000 1.082 386 V CB -0.629 31.217 31.823 0.038 0.000 0.680 386 V HN 0.628 nan 8.190 nan 0.000 0.469 387 Q N -0.041 119.786 119.800 0.044 0.000 2.403 387 Q HA 0.105 4.444 4.340 -0.001 0.000 0.203 387 Q C 1.165 177.194 176.000 0.048 0.000 0.932 387 Q CA 0.238 56.066 55.803 0.041 0.000 0.945 387 Q CB 0.103 28.864 28.738 0.038 0.000 1.045 387 Q HN 0.608 nan 8.270 nan 0.000 0.511 388 R N -0.264 120.281 120.500 0.075 0.000 2.647 388 R HA 0.243 4.582 4.340 -0.001 0.000 0.124 388 R C 1.500 177.850 176.300 0.084 0.000 1.294 388 R CA -0.420 55.746 56.100 0.111 0.000 1.060 388 R CB -1.113 29.311 30.300 0.206 0.000 1.282 388 R HN 0.056 nan 8.270 nan 0.000 0.430 389 Y N 1.469 121.899 120.300 0.217 0.000 2.497 389 Y HA -0.089 4.460 4.550 -0.001 0.000 0.292 389 Y C 0.672 176.670 175.900 0.165 0.000 1.137 389 Y CA 0.951 59.194 58.100 0.238 0.000 1.285 389 Y CB -0.435 38.271 38.460 0.411 0.000 0.991 389 Y HN 0.501 nan 8.280 nan 0.000 0.556 390 N N 0.683 119.536 118.700 0.255 0.000 2.686 390 N HA -0.231 4.509 4.740 -0.001 0.000 0.261 390 N C 0.287 175.889 175.510 0.154 0.000 1.001 390 N CA 0.819 53.969 53.050 0.167 0.000 0.764 390 N CB -1.278 37.273 38.487 0.108 0.000 0.898 390 N HN 0.647 nan 8.380 nan 0.000 0.544 391 I N -3.359 117.311 120.570 0.167 0.000 3.875 391 I HA 0.142 4.311 4.170 -0.001 0.000 0.329 391 I C 1.588 177.774 176.117 0.116 0.000 1.295 391 I CA -0.467 60.898 61.300 0.107 0.000 1.129 391 I CB -0.063 37.957 38.000 0.033 0.000 1.008 391 I HN 0.136 nan 8.210 nan 0.000 0.413 392 L N 1.837 123.149 121.223 0.148 0.000 2.013 392 L HA -0.231 4.108 4.340 -0.001 0.000 0.212 392 L C 2.540 179.603 176.870 0.321 0.000 1.073 392 L CA 2.173 57.126 54.840 0.189 0.000 0.753 392 L CB -0.766 41.364 42.059 0.119 0.000 0.890 392 L HN 0.485 nan 8.230 nan 0.000 0.432 393 E N -0.963 119.419 120.200 0.305 0.000 2.110 393 E HA -0.296 4.053 4.350 -0.001 0.000 0.193 393 E C 2.074 178.709 176.600 0.058 0.000 0.988 393 E CA 1.241 57.795 56.400 0.257 0.000 0.804 393 E CB -0.012 29.783 29.700 0.159 0.000 0.745 393 E HN 0.664 nan 8.360 nan 0.000 0.458 394 E N -0.167 120.056 120.200 0.039 0.000 2.072 394 E HA -0.156 4.194 4.350 -0.001 0.000 0.191 394 E C 1.986 178.541 176.600 -0.075 0.000 0.985 394 E CA 1.414 57.788 56.400 -0.042 0.000 0.801 394 E CB 0.034 29.713 29.700 -0.036 0.000 0.750 394 E HN 0.113 nan 8.360 nan 0.000 0.452 395 V N 0.685 120.609 119.914 0.017 0.000 2.427 395 V HA -0.146 3.973 4.120 -0.001 0.000 0.248 395 V C 2.340 178.445 176.094 0.018 0.000 1.051 395 V CA 1.776 64.110 62.300 0.057 0.000 1.048 395 V CB -0.840 31.101 31.823 0.195 0.000 0.666 395 V HN 0.552 nan 8.190 nan 0.000 0.456 396 G N -0.169 108.696 108.800 0.109 0.000 2.418 396 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.217 396 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.217 396 G C 1.758 176.564 174.900 -0.156 0.000 1.158 396 G CA 0.654 45.814 45.100 0.099 0.000 0.771 396 G HN 0.423 nan 8.290 nan 0.000 0.545 397 R N -0.066 120.294 120.500 -0.233 0.000 2.073 397 R HA 0.013 4.352 4.340 -0.001 0.000 0.234 397 R C 2.804 178.898 176.300 -0.343 0.000 1.134 397 R CA 1.069 57.004 56.100 -0.275 0.000 0.952 397 R CB -0.256 29.898 30.300 -0.244 0.000 0.850 397 R HN 0.176 nan 8.270 nan 0.000 0.433 398 R N 0.377 120.578 120.500 -0.499 0.000 2.127 398 R HA -0.096 4.244 4.340 -0.001 0.000 0.238 398 R C 2.047 177.845 176.300 -0.837 0.000 1.134 398 R CA 1.279 56.827 56.100 -0.920 0.000 0.975 398 R CB -0.301 28.978 30.300 -1.703 0.000 0.865 398 R HN 0.355 nan 8.270 nan 0.000 0.447 399 M N -0.559 118.758 119.600 -0.472 0.000 2.562 399 M HA 0.077 4.556 4.480 -0.001 0.000 0.257 399 M C 0.771 177.017 176.300 -0.091 0.000 1.099 399 M CA 0.905 56.095 55.300 -0.182 0.000 1.099 399 M CB 0.270 32.833 32.600 -0.060 0.000 1.427 399 M HN 0.380 nan 8.290 nan 0.000 0.489 400 G N 2.053 110.761 108.800 -0.154 0.000 2.212 400 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.255 400 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.255 400 G C -0.215 174.648 174.900 -0.061 0.000 1.062 400 G CA -0.262 44.777 45.100 -0.102 0.000 0.815 400 G HN 0.380 nan 8.290 nan 0.000 0.497 401 L N -0.804 120.371 121.223 -0.080 0.000 2.416 401 L HA 0.484 4.824 4.340 -0.001 0.000 0.262 401 L C 0.877 177.655 176.870 -0.153 0.000 1.093 401 L CA -0.939 53.873 54.840 -0.047 0.000 0.801 401 L CB 0.811 42.906 42.059 0.060 0.000 1.191 401 L HN 0.168 nan 8.230 nan 0.000 0.459 402 E N 0.372 120.493 120.200 -0.131 0.000 1.852 402 E HA 0.004 4.353 4.350 -0.001 0.000 0.276 402 E C 0.615 176.880 176.600 -0.559 0.000 1.163 402 E CA -0.088 56.168 56.400 -0.240 0.000 1.117 402 E CB 0.069 29.624 29.700 -0.241 0.000 1.124 402 E HN 0.629 nan 8.360 nan 0.000 0.458 403 T N -1.615 112.474 114.554 -0.774 0.000 3.163 403 T HA -0.134 4.215 4.350 -0.001 0.000 0.260 403 T C 1.335 175.658 174.700 -0.628 0.000 1.156 403 T CA 0.568 61.769 62.100 -1.499 0.000 1.072 403 T CB -0.277 67.679 68.868 -1.521 0.000 0.937 403 T HN 0.524 nan 8.240 nan 0.000 0.528 404 H N 0.011 118.915 119.070 -0.278 0.000 2.553 404 H HA 0.376 4.931 4.556 -0.001 0.000 0.265 404 H C 0.089 175.434 175.328 0.028 0.000 0.964 404 H CA -0.329 55.665 56.048 -0.090 0.000 1.156 404 H CB 0.177 29.890 29.762 -0.082 0.000 1.411 404 H HN 0.305 nan 8.280 nan 0.000 0.558 405 K N 1.567 121.753 120.400 -0.357 0.000 2.483 405 K HA 0.279 4.598 4.320 -0.001 0.000 0.256 405 K C 0.713 177.392 176.600 0.131 0.000 0.961 405 K CA -0.399 55.821 56.287 -0.112 0.000 0.873 405 K CB 2.472 34.833 32.500 -0.231 0.000 1.107 405 K HN 0.010 nan 8.250 nan 0.000 0.432 406 L N 1.580 122.892 121.223 0.147 0.000 2.079 406 L HA -0.230 4.110 4.340 -0.001 0.000 0.210 406 L C 2.173 179.075 176.870 0.052 0.000 1.081 406 L CA 1.542 56.452 54.840 0.116 0.000 0.752 406 L CB -0.305 41.788 42.059 0.057 0.000 0.896 406 L HN 0.745 nan 8.230 nan 0.000 0.433 407 A N -0.271 122.576 122.820 0.044 0.000 2.216 407 A HA -0.133 4.186 4.320 -0.001 0.000 0.214 407 A C 2.353 179.956 177.584 0.032 0.000 1.160 407 A CA 1.419 53.471 52.037 0.025 0.000 0.725 407 A CB -0.478 18.536 19.000 0.023 0.000 0.784 407 A HN 0.543 nan 8.150 nan 0.000 0.472 408 S N -0.713 115.024 115.700 0.062 0.000 2.527 408 S HA 0.186 4.655 4.470 -0.001 0.000 0.222 408 S C 0.794 175.442 174.600 0.080 0.000 0.985 408 S CA 0.483 58.726 58.200 0.071 0.000 0.921 408 S CB -0.659 62.588 63.200 0.077 0.000 0.772 408 S HN 0.788 nan 8.310 nan 0.000 0.529 409 L N 0.864 122.113 121.223 0.042 0.000 3.717 409 L HA -0.161 4.178 4.340 -0.001 0.000 0.411 409 L C 1.550 178.400 176.870 -0.033 0.000 1.233 409 L CA 0.641 55.454 54.840 -0.046 0.000 0.917 409 L CB -2.466 39.579 42.059 -0.024 0.000 1.902 409 L HN 0.744 nan 8.230 nan 0.000 0.894 410 W N 0.021 121.306 121.300 -0.026 0.000 2.402 410 W HA -0.108 4.551 4.660 -0.001 0.000 0.286 410 W C 1.696 178.214 176.519 -0.002 0.000 1.221 410 W CA 1.213 58.547 57.345 -0.018 0.000 1.257 410 W CB -0.688 28.749 29.460 -0.038 0.000 1.120 410 W HN 0.275 nan 8.180 nan 0.000 0.551 411 K N 1.126 120.892 120.400 -1.057 0.000 2.063 411 K HA -0.185 4.135 4.320 -0.001 0.000 0.208 411 K C 1.506 177.898 176.600 -0.347 0.000 1.048 411 K CA 2.467 58.194 56.287 -0.932 0.000 0.928 411 K CB -0.380 31.524 32.500 -0.994 0.000 0.713 411 K HN 0.085 nan 8.250 nan 0.000 0.442 412 D N 0.596 120.848 120.400 -0.246 0.000 2.117 412 D HA -0.141 4.498 4.640 -0.001 0.000 0.198 412 D C 2.004 178.285 176.300 -0.031 0.000 0.982 412 D CA 1.030 54.962 54.000 -0.113 0.000 0.828 412 D CB 0.011 40.760 40.800 -0.085 0.000 0.967 412 D HN 0.205 nan 8.370 nan 0.000 0.464 413 Q N 0.121 119.926 119.800 0.009 0.000 2.084 413 Q HA -0.082 4.257 4.340 -0.001 0.000 0.202 413 Q C 2.282 178.342 176.000 0.101 0.000 0.978 413 Q CA 1.267 57.115 55.803 0.075 0.000 0.844 413 Q CB -0.142 28.664 28.738 0.113 0.000 0.898 413 Q HN 0.303 nan 8.270 nan 0.000 0.426 414 A N 0.735 123.618 122.820 0.105 0.000 1.898 414 A HA -0.145 4.175 4.320 -0.001 0.000 0.216 414 A C 2.336 179.989 177.584 0.116 0.000 1.181 414 A CA 1.611 53.734 52.037 0.144 0.000 0.620 414 A CB -0.873 18.251 19.000 0.206 0.000 0.819 414 A HN 0.330 nan 8.150 nan 0.000 0.442 415 V N -2.233 117.708 119.914 0.046 0.000 2.407 415 V HA -0.172 3.947 4.120 -0.001 0.000 0.248 415 V C 2.177 178.304 176.094 0.056 0.000 1.055 415 V CA 2.024 64.347 62.300 0.039 0.000 1.049 415 V CB -1.434 30.373 31.823 -0.027 0.000 0.662 415 V HN 0.201 nan 8.190 nan 0.000 0.455 416 V N 0.380 120.330 119.914 0.062 0.000 2.295 416 V HA -0.169 3.950 4.120 -0.001 0.000 0.246 416 V C 2.957 179.121 176.094 0.116 0.000 1.049 416 V CA 2.278 64.626 62.300 0.082 0.000 1.024 416 V CB -0.811 31.065 31.823 0.089 0.000 0.648 416 V HN 0.522 nan 8.190 nan 0.000 0.447 417 E N 0.059 120.358 120.200 0.165 0.000 2.051 417 E HA -0.160 4.190 4.350 -0.001 0.000 0.192 417 E C 2.162 178.872 176.600 0.184 0.000 0.991 417 E CA 1.356 57.910 56.400 0.257 0.000 0.799 417 E CB -0.371 29.485 29.700 0.259 0.000 0.748 417 E HN 0.576 nan 8.360 nan 0.000 0.449 418 I N 1.637 122.319 120.570 0.186 0.000 2.264 418 I HA -0.272 3.897 4.170 -0.001 0.000 0.248 418 I C 2.089 178.254 176.117 0.080 0.000 1.111 418 I CA 0.920 62.334 61.300 0.189 0.000 1.382 418 I CB -0.274 37.891 38.000 0.274 0.000 1.060 418 I HN 0.083 nan 8.210 nan 0.000 0.418 419 N N 0.651 119.385 118.700 0.056 0.000 2.331 419 N HA -0.043 4.696 4.740 -0.001 0.000 0.180 419 N C 1.974 177.476 175.510 -0.014 0.000 1.019 419 N CA 1.105 54.161 53.050 0.010 0.000 0.881 419 N CB 0.120 38.608 38.487 0.002 0.000 0.972 419 N HN 0.366 nan 8.380 nan 0.000 0.435 420 I N 1.257 121.810 120.570 -0.028 0.000 2.315 420 I HA -0.201 3.969 4.170 -0.001 0.000 0.248 420 I C 2.408 178.405 176.117 -0.201 0.000 1.117 420 I CA 0.558 61.800 61.300 -0.096 0.000 1.404 420 I CB -0.158 37.772 38.000 -0.116 0.000 1.071 420 I HN 0.042 nan 8.210 nan 0.000 0.419 421 A N 0.352 122.988 122.820 -0.306 0.000 1.877 421 A HA -0.170 4.149 4.320 -0.001 0.000 0.216 421 A C 2.417 179.941 177.584 -0.100 0.000 1.186 421 A CA 1.766 53.569 52.037 -0.389 0.000 0.620 421 A CB -0.986 17.544 19.000 -0.783 0.000 0.822 421 A HN 0.230 nan 8.150 nan 0.000 0.443 422 V N 0.182 120.081 119.914 -0.026 0.000 2.255 422 V HA -0.288 3.831 4.120 -0.001 0.000 0.247 422 V C 2.605 178.738 176.094 0.065 0.000 1.051 422 V CA 2.142 64.475 62.300 0.055 0.000 1.018 422 V CB -0.773 31.019 31.823 -0.051 0.000 0.641 422 V HN 0.583 nan 8.190 nan 0.000 0.445 423 L N -0.679 120.544 121.223 -0.002 0.000 2.046 423 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 423 L C 2.626 179.541 176.870 0.074 0.000 1.077 423 L CA 2.052 56.900 54.840 0.014 0.000 0.747 423 L CB -0.945 41.115 42.059 0.003 0.000 0.896 423 L HN 0.515 nan 8.230 nan 0.000 0.432 424 H N 0.001 119.042 119.070 -0.048 0.000 2.321 424 H HA -0.139 4.416 4.556 -0.001 0.000 0.300 424 H C 2.276 177.600 175.328 -0.008 0.000 1.087 424 H CA 1.870 57.881 56.048 -0.062 0.000 1.319 424 H CB 0.341 30.006 29.762 -0.161 0.000 1.379 424 H HN 0.245 nan 8.280 nan 0.000 0.501 425 S N 0.314 116.004 115.700 -0.017 0.000 2.368 425 S HA -0.125 4.344 4.470 -0.001 0.000 0.225 425 S C 1.993 176.575 174.600 -0.031 0.000 1.030 425 S CA 1.269 59.438 58.200 -0.052 0.000 0.999 425 S CB -0.508 62.739 63.200 0.079 0.000 0.844 425 S HN 0.283 nan 8.310 nan 0.000 0.459 426 F N 2.032 121.930 119.950 -0.086 0.000 2.102 426 F HA -0.093 4.434 4.527 -0.001 0.000 0.298 426 F C 2.675 178.422 175.800 -0.088 0.000 1.105 426 F CA 1.102 59.067 58.000 -0.058 0.000 1.239 426 F CB -0.716 38.269 39.000 -0.025 0.000 0.991 426 F HN 0.211 nan 8.300 nan 0.000 0.474 427 Q N -0.053 119.792 119.800 0.074 0.000 2.084 427 Q HA -0.266 4.073 4.340 -0.001 0.000 0.202 427 Q C 2.232 178.170 176.000 -0.102 0.000 0.978 427 Q CA 1.820 57.610 55.803 -0.021 0.000 0.844 427 Q CB -0.345 28.373 28.738 -0.034 0.000 0.898 427 Q HN 0.361 nan 8.270 nan 0.000 0.426 428 K N 0.875 121.148 120.400 -0.212 0.000 2.147 428 K HA -0.183 4.136 4.320 -0.001 0.000 0.205 428 K C 1.435 177.949 176.600 -0.143 0.000 1.049 428 K CA 1.272 57.422 56.287 -0.228 0.000 0.936 428 K CB 0.152 32.421 32.500 -0.386 0.000 0.722 428 K HN 0.177 nan 8.250 nan 0.000 0.446 429 Q N 0.247 119.965 119.800 -0.136 0.000 2.246 429 Q HA 0.112 4.451 4.340 -0.001 0.000 0.202 429 Q C -0.645 175.300 176.000 -0.092 0.000 0.883 429 Q CA -0.239 55.493 55.803 -0.118 0.000 0.952 429 Q CB 0.521 29.163 28.738 -0.159 0.000 1.078 429 Q HN 0.305 nan 8.270 nan 0.000 0.493 430 N N 0.086 118.744 118.700 -0.070 0.000 2.740 430 N HA -0.147 4.592 4.740 -0.001 0.000 0.248 430 N C -1.336 174.154 175.510 -0.033 0.000 1.062 430 N CA 0.562 53.584 53.050 -0.047 0.000 0.704 430 N CB -1.184 37.274 38.487 -0.048 0.000 0.968 430 N HN 0.020 nan 8.380 nan 0.000 0.547 431 V N 0.970 120.881 119.914 -0.005 0.000 2.417 431 V HA 0.238 4.357 4.120 -0.001 0.000 0.291 431 V C 0.842 177.041 176.094 0.175 0.000 1.024 431 V CA -0.637 61.697 62.300 0.056 0.000 0.861 431 V CB 1.967 33.763 31.823 -0.044 0.000 0.985 431 V HN 0.168 nan 8.190 nan 0.000 0.436 432 T N 6.272 120.874 114.554 0.080 0.000 2.905 432 T HA 0.350 4.700 4.350 -0.001 0.000 0.299 432 T C -0.264 174.493 174.700 0.095 0.000 1.024 432 T CA 0.852 62.925 62.100 -0.045 0.000 1.151 432 T CB 0.111 68.809 68.868 -0.283 0.000 0.987 432 T HN 0.523 nan 8.240 nan 0.000 0.535 433 I N 2.281 122.842 120.570 -0.015 0.000 3.004 433 I HA 0.641 4.811 4.170 -0.001 0.000 0.305 433 I C -1.490 174.620 176.117 -0.011 0.000 1.312 433 I CA -1.011 60.281 61.300 -0.013 0.000 0.992 433 I CB 2.235 40.112 38.000 -0.205 0.000 1.282 433 I HN 0.729 nan 8.210 nan 0.000 0.449 434 M N 6.095 125.743 119.600 0.081 0.000 2.263 434 M HA 0.412 4.891 4.480 -0.001 0.000 0.295 434 M C -1.585 174.761 176.300 0.077 0.000 1.028 434 M CA -0.623 54.745 55.300 0.112 0.000 0.921 434 M CB 1.381 34.155 32.600 0.290 0.000 1.601 434 M HN 0.694 nan 8.290 nan 0.000 0.440 435 D N 3.941 124.373 120.400 0.052 0.000 2.357 435 D HA 0.008 4.647 4.640 -0.001 0.000 0.242 435 D C 0.664 176.981 176.300 0.028 0.000 1.153 435 D CA -0.124 53.907 54.000 0.051 0.000 0.918 435 D CB 0.557 41.370 40.800 0.022 0.000 1.181 435 D HN 0.859 nan 8.370 nan 0.000 0.435 436 H N 0.475 119.493 119.070 -0.087 0.000 2.491 436 H HA -0.120 4.435 4.556 -0.001 0.000 0.290 436 H C 1.183 176.401 175.328 -0.183 0.000 1.050 436 H CA 1.052 57.005 56.048 -0.158 0.000 1.309 436 H CB -0.542 29.072 29.762 -0.246 0.000 1.392 436 H HN 0.527 nan 8.280 nan 0.000 0.554 437 H N 1.090 119.932 119.070 -0.381 0.000 2.333 437 H HA 0.024 4.580 4.556 -0.001 0.000 0.302 437 H C 2.289 177.591 175.328 -0.044 0.000 1.075 437 H CA 1.360 57.291 56.048 -0.195 0.000 1.348 437 H CB 0.126 29.748 29.762 -0.233 0.000 1.393 437 H HN 0.343 nan 8.280 nan 0.000 0.509 438 S N 0.958 116.708 115.700 0.082 0.000 2.368 438 S HA -0.117 4.352 4.470 -0.001 0.000 0.225 438 S C 2.495 177.165 174.600 0.116 0.000 1.030 438 S CA 0.895 59.150 58.200 0.093 0.000 0.999 438 S CB -0.316 62.931 63.200 0.078 0.000 0.844 438 S HN 0.513 nan 8.310 nan 0.000 0.459 439 A N 1.877 124.763 122.820 0.109 0.000 1.883 439 A HA 0.014 4.333 4.320 -0.001 0.000 0.217 439 A C 2.401 180.082 177.584 0.162 0.000 1.186 439 A CA 1.888 54.009 52.037 0.140 0.000 0.624 439 A CB -1.255 17.814 19.000 0.114 0.000 0.822 439 A HN 0.531 nan 8.150 nan 0.000 0.444 440 A N -0.358 122.536 122.820 0.124 0.000 1.883 440 A HA -0.202 4.117 4.320 -0.001 0.000 0.217 440 A C 1.946 179.665 177.584 0.225 0.000 1.186 440 A CA 1.736 53.870 52.037 0.162 0.000 0.624 440 A CB -0.597 18.469 19.000 0.110 0.000 0.822 440 A HN 0.653 nan 8.150 nan 0.000 0.444 441 E N 0.072 120.379 120.200 0.177 0.000 2.051 441 E HA -0.176 4.173 4.350 -0.001 0.000 0.192 441 E C 2.426 179.131 176.600 0.175 0.000 0.991 441 E CA 1.576 58.075 56.400 0.165 0.000 0.799 441 E CB -0.237 29.538 29.700 0.125 0.000 0.748 441 E HN 0.802 nan 8.360 nan 0.000 0.449 442 S N 0.649 116.456 115.700 0.179 0.000 2.382 442 S HA -0.185 4.284 4.470 -0.001 0.000 0.228 442 S C 1.920 176.644 174.600 0.207 0.000 1.027 442 S CA 0.701 59.004 58.200 0.171 0.000 0.991 442 S CB -0.486 62.814 63.200 0.166 0.000 0.823 442 S HN 0.296 nan 8.310 nan 0.000 0.469 443 F N 2.164 122.198 119.950 0.139 0.000 2.171 443 F HA 0.037 4.564 4.527 -0.001 0.000 0.300 443 F C 2.268 178.209 175.800 0.235 0.000 1.090 443 F CA 1.336 59.446 58.000 0.183 0.000 1.293 443 F CB -0.319 38.762 39.000 0.135 0.000 1.013 443 F HN 0.112 nan 8.300 nan 0.000 0.486 444 M N 0.303 120.029 119.600 0.211 0.000 2.159 444 M HA -0.197 4.282 4.480 -0.001 0.000 0.263 444 M C 2.052 178.390 176.300 0.064 0.000 1.063 444 M CA 1.569 56.960 55.300 0.152 0.000 1.110 444 M CB -1.224 31.499 32.600 0.205 0.000 1.374 444 M HN 0.140 nan 8.290 nan 0.000 0.411 445 K N -0.918 119.526 120.400 0.073 0.000 2.026 445 K HA -0.201 4.118 4.320 -0.001 0.000 0.208 445 K C 2.074 178.674 176.600 0.000 0.000 1.048 445 K CA 1.555 57.875 56.287 0.055 0.000 0.929 445 K CB -0.556 31.990 32.500 0.076 0.000 0.713 445 K HN 0.266 nan 8.250 nan 0.000 0.439 446 Y N 1.528 121.741 120.300 -0.145 0.000 2.128 446 Y HA -0.251 4.298 4.550 -0.001 0.000 0.284 446 Y C 2.274 177.993 175.900 -0.302 0.000 1.154 446 Y CA 1.722 59.696 58.100 -0.209 0.000 1.149 446 Y CB -0.234 38.068 38.460 -0.263 0.000 0.976 446 Y HN -0.018 nan 8.280 nan 0.000 0.505 447 M N 0.047 119.289 119.600 -0.597 0.000 2.159 447 M HA -0.263 4.216 4.480 -0.001 0.000 0.263 447 M C 2.418 178.484 176.300 -0.389 0.000 1.063 447 M CA 2.162 57.110 55.300 -0.586 0.000 1.110 447 M CB -0.249 32.147 32.600 -0.340 0.000 1.374 447 M HN 0.532 nan 8.290 nan 0.000 0.411 448 Q N 0.236 119.922 119.800 -0.190 0.000 2.050 448 Q HA -0.211 4.129 4.340 -0.001 0.000 0.202 448 Q C 1.575 177.487 176.000 -0.145 0.000 0.980 448 Q CA 2.010 57.775 55.803 -0.064 0.000 0.840 448 Q CB -0.022 28.777 28.738 0.101 0.000 0.898 448 Q HN 0.571 nan 8.270 nan 0.000 0.424 449 N N 0.400 118.991 118.700 -0.182 0.000 2.120 449 N HA -0.154 4.585 4.740 -0.001 0.000 0.188 449 N C 1.561 176.905 175.510 -0.277 0.000 1.024 449 N CA 1.139 54.088 53.050 -0.169 0.000 0.852 449 N CB -0.224 38.194 38.487 -0.115 0.000 1.003 449 N HN 0.297 nan 8.380 nan 0.000 0.424 450 E N 0.239 120.135 120.200 -0.505 0.000 2.077 450 E HA -0.139 4.210 4.350 -0.001 0.000 0.193 450 E C 1.847 178.116 176.600 -0.552 0.000 0.989 450 E CA 0.832 56.867 56.400 -0.608 0.000 0.800 450 E CB -0.394 28.765 29.700 -0.903 0.000 0.746 450 E HN 0.524 nan 8.360 nan 0.000 0.452 451 Y N 0.856 120.878 120.300 -0.465 0.000 2.242 451 Y HA -0.083 4.467 4.550 -0.001 0.000 0.291 451 Y C 2.539 178.303 175.900 -0.227 0.000 1.137 451 Y CA 1.175 59.035 58.100 -0.400 0.000 1.181 451 Y CB 0.041 38.077 38.460 -0.707 0.000 0.989 451 Y HN -0.033 nan 8.280 nan 0.000 0.527 452 R N -1.013 119.441 120.500 -0.078 0.000 2.115 452 R HA -0.086 4.254 4.340 -0.001 0.000 0.226 452 R C 2.208 178.467 176.300 -0.068 0.000 1.100 452 R CA 1.420 57.497 56.100 -0.040 0.000 0.980 452 R CB -0.259 30.026 30.300 -0.025 0.000 0.875 452 R HN 0.184 nan 8.270 nan 0.000 0.445 453 S N 0.659 116.287 115.700 -0.120 0.000 2.371 453 S HA -0.034 4.435 4.470 -0.001 0.000 0.221 453 S C 1.397 175.924 174.600 -0.121 0.000 1.036 453 S CA 0.914 59.050 58.200 -0.108 0.000 0.965 453 S CB 0.174 63.303 63.200 -0.117 0.000 0.845 453 S HN 0.425 nan 8.310 nan 0.000 0.475 454 R N 0.127 120.515 120.500 -0.186 0.000 2.592 454 R HA 0.438 4.777 4.340 -0.001 0.000 0.439 454 R C 0.674 176.866 176.300 -0.180 0.000 0.995 454 R CA 0.194 56.195 56.100 -0.165 0.000 1.141 454 R CB -0.334 29.860 30.300 -0.178 0.000 1.495 454 R HN 0.200 nan 8.270 nan 0.000 0.579 455 G N 0.225 108.912 108.800 -0.188 0.000 2.356 455 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.296 455 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.296 455 G C 0.202 174.950 174.900 -0.253 0.000 1.022 455 G CA 0.373 45.401 45.100 -0.119 0.000 0.961 455 G HN 0.890 nan 8.290 nan 0.000 0.510 456 G N -2.610 105.752 108.800 -0.729 0.000 2.387 456 G HA2 0.601 4.560 3.960 -0.001 0.000 0.294 456 G HA3 0.601 4.560 3.960 -0.001 0.000 0.294 456 G C -0.948 173.437 174.900 -0.858 0.000 1.509 456 G CA 0.253 44.940 45.100 -0.688 0.000 0.806 456 G HN 1.768 nan 8.290 nan 0.000 0.546 457 C N 2.479 121.484 119.300 -0.491 0.000 3.146 457 C HA 0.538 4.997 4.460 -0.001 0.000 0.382 457 C C -2.659 172.208 174.990 -0.206 0.000 1.060 457 C CA -1.080 57.721 59.018 -0.362 0.000 1.304 457 C CB 0.795 28.285 27.740 -0.416 0.000 1.699 457 C HN 0.662 nan 8.230 nan 0.000 0.532 458 P HA 0.398 nan 4.420 nan 0.000 0.267 458 P C -0.561 176.633 177.300 -0.176 0.000 1.209 458 P CA 0.674 63.364 63.100 -0.683 0.000 0.763 458 P CB 1.099 32.342 31.700 -0.761 0.000 0.816 459 A N 2.725 125.510 122.820 -0.059 0.000 2.459 459 A HA 0.398 4.717 4.320 -0.001 0.000 0.296 459 A C -1.011 176.633 177.584 0.099 0.000 1.039 459 A CA -0.546 51.553 52.037 0.103 0.000 0.698 459 A CB 1.232 20.401 19.000 0.282 0.000 1.261 459 A HN 0.439 nan 8.150 nan 0.000 0.405 460 D N 2.215 122.663 120.400 0.080 0.000 2.467 460 D HA 0.138 4.777 4.640 -0.001 0.000 0.220 460 D C 0.852 177.282 176.300 0.217 0.000 1.103 460 D CA -0.506 53.573 54.000 0.133 0.000 0.886 460 D CB 0.313 41.144 40.800 0.052 0.000 1.025 460 D HN 0.610 nan 8.370 nan 0.000 0.514 461 W N 4.311 125.651 121.300 0.066 0.000 2.304 461 W HA -0.264 4.395 4.660 -0.001 0.000 0.315 461 W C 1.757 178.312 176.519 0.060 0.000 1.233 461 W CA 1.405 58.775 57.345 0.041 0.000 1.261 461 W CB -0.127 29.338 29.460 0.008 0.000 1.150 461 W HN 0.484 nan 8.180 nan 0.000 0.494 462 I N -1.194 119.677 120.570 0.502 0.000 2.335 462 I HA -0.303 3.867 4.170 -0.001 0.000 0.251 462 I C 1.656 177.892 176.117 0.198 0.000 1.129 462 I CA 1.412 62.949 61.300 0.395 0.000 1.402 462 I CB -0.606 37.641 38.000 0.411 0.000 1.069 462 I HN 0.096 nan 8.210 nan 0.000 0.424 463 W N -0.144 121.145 121.300 -0.019 0.000 2.872 463 W HA 0.178 4.837 4.660 -0.001 0.000 0.266 463 W C 2.110 178.530 176.519 -0.165 0.000 1.276 463 W CA 0.115 57.420 57.345 -0.067 0.000 1.471 463 W CB -0.214 29.230 29.460 -0.027 0.000 1.071 463 W HN -0.038 nan 8.180 nan 0.000 0.619 464 L N -0.478 120.715 121.223 -0.050 0.000 2.209 464 L HA 0.038 4.377 4.340 -0.001 0.000 0.207 464 L C 0.692 177.359 176.870 -0.338 0.000 1.094 464 L CA 0.316 54.999 54.840 -0.263 0.000 0.790 464 L CB -0.803 41.006 42.059 -0.417 0.000 0.932 464 L HN -0.417 nan 8.230 nan 0.000 0.447 465 V N 1.908 121.540 119.914 -0.470 0.000 2.479 465 V HA 0.083 4.203 4.120 -0.001 0.000 0.281 465 V C -1.832 174.096 176.094 -0.277 0.000 1.031 465 V CA -1.211 60.806 62.300 -0.472 0.000 1.038 465 V CB 0.312 31.642 31.823 -0.822 0.000 0.981 465 V HN 0.062 nan 8.190 nan 0.000 0.478 466 P HA 0.129 nan 4.420 nan 0.000 0.268 466 P C -1.925 175.256 177.300 -0.198 0.000 1.208 466 P CA -1.187 61.802 63.100 -0.185 0.000 0.777 466 P CB -0.013 31.591 31.700 -0.159 0.000 0.875 467 P HA 0.006 nan 4.420 nan 0.000 0.247 467 P C -0.072 177.119 177.300 -0.181 0.000 1.225 467 P CA 1.069 64.056 63.100 -0.188 0.000 0.768 467 P CB -0.059 31.524 31.700 -0.195 0.000 1.020 468 M N -4.968 114.494 119.600 -0.229 0.000 2.470 468 M HA 0.505 4.984 4.480 -0.001 0.000 0.285 468 M C -0.400 175.797 176.300 -0.172 0.000 1.213 468 M CA -0.614 54.565 55.300 -0.202 0.000 0.901 468 M CB 1.904 34.359 32.600 -0.242 0.000 1.718 468 M HN -0.355 nan 8.290 nan 0.000 0.469 469 S N 0.625 116.279 115.700 -0.077 0.000 3.533 469 S HA -0.180 4.289 4.470 -0.001 0.000 0.347 469 S C 1.122 175.705 174.600 -0.029 0.000 1.101 469 S CA 0.944 59.142 58.200 -0.002 0.000 1.009 469 S CB -1.948 61.338 63.200 0.143 0.000 0.916 469 S HN 1.253 nan 8.310 nan 0.000 0.496 470 G N 2.389 111.142 108.800 -0.079 0.000 2.719 470 G HA2 -0.358 3.601 3.960 -0.001 0.000 0.219 470 G HA3 -0.358 3.601 3.960 -0.001 0.000 0.219 470 G C 1.465 176.250 174.900 -0.191 0.000 1.234 470 G CA 1.725 46.781 45.100 -0.074 0.000 0.788 470 G HN 1.360 nan 8.290 nan 0.000 0.619 471 S N -0.034 115.295 115.700 -0.619 0.000 2.555 471 S HA 0.105 4.574 4.470 -0.001 0.000 0.230 471 S C 1.969 176.519 174.600 -0.083 0.000 0.978 471 S CA 0.478 58.170 58.200 -0.846 0.000 0.934 471 S CB -0.054 62.402 63.200 -1.240 0.000 0.766 471 S HN 0.174 nan 8.310 nan 0.000 0.533 472 I N 2.930 123.497 120.570 -0.006 0.000 3.428 472 I HA 0.074 4.243 4.170 -0.001 0.000 0.286 472 I C 1.232 177.467 176.117 0.197 0.000 1.287 472 I CA 0.559 61.929 61.300 0.117 0.000 1.396 472 I CB -1.648 36.439 38.000 0.146 0.000 1.062 472 I HN 0.517 nan 8.210 nan 0.000 0.471 473 T N -1.458 113.210 114.554 0.189 0.000 2.895 473 T HA 0.375 4.724 4.350 -0.001 0.000 0.283 473 T C -1.448 173.427 174.700 0.291 0.000 1.014 473 T CA -1.782 60.444 62.100 0.209 0.000 1.037 473 T CB 2.333 71.275 68.868 0.122 0.000 1.006 473 T HN -0.117 nan 8.240 nan 0.000 0.468 474 P HA -0.088 nan 4.420 nan 0.000 0.220 474 P C 1.783 179.302 177.300 0.366 0.000 1.148 474 P CA 0.967 64.268 63.100 0.335 0.000 0.803 474 P CB -0.354 31.490 31.700 0.240 0.000 0.782 475 V N -3.771 116.303 119.914 0.266 0.000 2.720 475 V HA -0.190 3.929 4.120 -0.001 0.000 0.256 475 V C 2.350 178.528 176.094 0.140 0.000 1.082 475 V CA 1.206 63.623 62.300 0.195 0.000 1.101 475 V CB -2.220 29.619 31.823 0.026 0.000 0.693 475 V HN -0.106 nan 8.190 nan 0.000 0.479 476 F N 2.323 122.270 119.950 -0.005 0.000 2.171 476 F HA -0.111 4.416 4.527 -0.001 0.000 0.300 476 F C 2.132 178.046 175.800 0.191 0.000 1.090 476 F CA 2.207 60.195 58.000 -0.019 0.000 1.293 476 F CB -0.333 38.572 39.000 -0.158 0.000 1.013 476 F HN 0.286 nan 8.300 nan 0.000 0.486 477 H N -1.428 117.967 119.070 0.542 0.000 2.539 477 H HA 0.129 4.684 4.556 -0.001 0.000 0.267 477 H C 0.278 175.862 175.328 0.427 0.000 0.982 477 H CA 0.185 56.512 56.048 0.464 0.000 1.146 477 H CB -0.151 29.867 29.762 0.427 0.000 1.382 477 H HN 0.142 nan 8.280 nan 0.000 0.577 478 Q N 1.943 122.027 119.800 0.473 0.000 2.331 478 Q HA 0.138 4.477 4.340 -0.001 0.000 0.257 478 Q C -0.720 175.536 176.000 0.426 0.000 0.957 478 Q CA -0.387 55.663 55.803 0.412 0.000 0.923 478 Q CB 0.555 29.528 28.738 0.392 0.000 1.212 478 Q HN 0.345 nan 8.270 nan 0.000 0.443 479 E N 3.659 124.061 120.200 0.338 0.000 2.373 479 E HA 0.309 4.658 4.350 -0.001 0.000 0.267 479 E C -0.515 176.255 176.600 0.283 0.000 1.032 479 E CA 0.242 56.800 56.400 0.264 0.000 0.889 479 E CB 0.818 30.655 29.700 0.228 0.000 0.984 479 E HN 0.605 nan 8.360 nan 0.000 0.425 480 M N 2.036 121.796 119.600 0.266 0.000 2.593 480 M HA 0.381 4.861 4.480 -0.001 0.000 0.290 480 M C -1.402 175.033 176.300 0.225 0.000 1.244 480 M CA -1.039 54.433 55.300 0.288 0.000 0.857 480 M CB 1.533 34.340 32.600 0.345 0.000 1.738 480 M HN 0.189 nan 8.290 nan 0.000 0.461 481 L N 2.070 123.444 121.223 0.250 0.000 2.313 481 L HA 0.490 4.829 4.340 -0.001 0.000 0.283 481 L C -0.578 176.412 176.870 0.199 0.000 1.013 481 L CA -0.167 54.828 54.840 0.258 0.000 0.816 481 L CB 1.414 43.692 42.059 0.365 0.000 1.236 481 L HN 0.569 nan 8.230 nan 0.000 0.419 482 N N 3.195 121.999 118.700 0.172 0.000 2.425 482 N HA 0.560 5.299 4.740 -0.001 0.000 0.268 482 N C -1.605 173.995 175.510 0.151 0.000 0.991 482 N CA -0.218 52.864 53.050 0.054 0.000 0.931 482 N CB 0.601 39.133 38.487 0.075 0.000 1.130 482 N HN 0.396 nan 8.380 nan 0.000 0.493 483 Y N -0.125 120.200 120.300 0.041 0.000 2.592 483 Y HA 0.552 5.101 4.550 -0.001 0.000 0.334 483 Y C -1.353 174.519 175.900 -0.046 0.000 1.136 483 Y CA -1.371 56.732 58.100 0.004 0.000 1.042 483 Y CB 0.544 39.021 38.460 0.028 0.000 1.325 483 Y HN 0.012 nan 8.280 nan 0.000 0.457 484 V N 4.395 124.313 119.914 0.006 0.000 2.364 484 V HA 0.378 4.498 4.120 -0.001 0.000 0.272 484 V C 0.211 176.197 176.094 -0.180 0.000 1.036 484 V CA -0.381 61.721 62.300 -0.330 0.000 0.880 484 V CB 0.432 31.877 31.823 -0.630 0.000 0.991 484 V HN 0.768 nan 8.190 nan 0.000 0.460 485 L N 2.899 124.056 121.223 -0.111 0.000 2.805 485 L HA 0.740 5.079 4.340 -0.001 0.000 0.242 485 L C 0.350 177.223 176.870 0.005 0.000 1.180 485 L CA -0.468 54.380 54.840 0.013 0.000 1.001 485 L CB 1.432 43.541 42.059 0.082 0.000 1.864 485 L HN 0.629 nan 8.230 nan 0.000 0.551 486 S N -0.730 115.012 115.700 0.071 0.000 2.566 486 S HA 0.517 4.987 4.470 -0.001 0.000 0.273 486 S C -2.736 171.932 174.600 0.113 0.000 1.157 486 S CA -1.069 57.196 58.200 0.108 0.000 0.938 486 S CB 1.840 65.116 63.200 0.126 0.000 1.087 486 S HN 0.141 nan 8.310 nan 0.000 0.474 487 P HA 0.448 nan 4.420 nan 0.000 0.270 487 P C -1.247 176.045 177.300 -0.014 0.000 1.223 487 P CA -0.087 63.013 63.100 -0.000 0.000 0.785 487 P CB 0.211 31.841 31.700 -0.117 0.000 0.923 488 F N 0.640 120.419 119.950 -0.285 0.000 2.668 488 F HA 0.449 4.976 4.527 -0.001 0.000 0.309 488 F C -1.590 173.916 175.800 -0.491 0.000 1.117 488 F CA -0.799 56.945 58.000 -0.426 0.000 0.951 488 F CB 1.258 39.986 39.000 -0.453 0.000 1.323 488 F HN 0.157 nan 8.300 nan 0.000 0.451 489 Y N 4.005 123.845 120.300 -0.766 0.000 2.385 489 Y HA 0.453 5.002 4.550 -0.001 0.000 0.341 489 Y C -0.943 174.646 175.900 -0.519 0.000 0.965 489 Y CA -0.716 57.111 58.100 -0.456 0.000 1.180 489 Y CB 0.475 38.658 38.460 -0.462 0.000 1.139 489 Y HN 0.375 nan 8.280 nan 0.000 0.502 490 Y N 1.276 121.631 120.300 0.091 0.000 2.488 490 Y HA 0.395 4.944 4.550 -0.001 0.000 0.325 490 Y C -0.255 175.633 175.900 -0.020 0.000 1.204 490 Y CA -1.050 57.093 58.100 0.072 0.000 1.229 490 Y CB 0.826 39.385 38.460 0.165 0.000 1.274 490 Y HN 0.425 nan 8.280 nan 0.000 0.493 491 Y N 0.574 121.036 120.300 0.271 0.000 2.295 491 Y HA 0.340 4.890 4.550 -0.001 0.000 0.331 491 Y C 0.183 176.150 175.900 0.113 0.000 1.311 491 Y CA -0.803 57.378 58.100 0.135 0.000 1.430 491 Y CB 0.570 39.081 38.460 0.085 0.000 1.339 491 Y HN 0.448 nan 8.280 nan 0.000 0.552 492 Q N -0.494 119.437 119.800 0.219 0.000 2.587 492 Q HA 0.593 4.933 4.340 -0.001 0.000 0.293 492 Q C -1.529 174.455 176.000 -0.026 0.000 1.083 492 Q CA -1.274 54.572 55.803 0.072 0.000 0.792 492 Q CB 2.558 31.311 28.738 0.025 0.000 1.484 492 Q HN 0.323 nan 8.270 nan 0.000 0.446 493 V N 1.402 121.256 119.914 -0.100 0.000 2.546 493 V HA 0.080 4.199 4.120 -0.001 0.000 0.284 493 V C -0.237 175.650 176.094 -0.345 0.000 1.050 493 V CA -0.354 61.833 62.300 -0.188 0.000 0.981 493 V CB 1.065 32.787 31.823 -0.167 0.000 0.990 493 V HN 0.668 nan 8.190 nan 0.000 0.474 494 E N 2.680 122.567 120.200 -0.521 0.000 2.558 494 E HA 0.089 4.438 4.350 -0.001 0.000 0.255 494 E C 1.239 177.243 176.600 -0.994 0.000 0.968 494 E CA 0.585 56.410 56.400 -0.959 0.000 0.939 494 E CB 0.527 29.274 29.700 -1.589 0.000 0.921 494 E HN 0.790 nan 8.360 nan 0.000 0.477 495 A N 4.273 126.506 122.820 -0.978 0.000 1.948 495 A HA -0.219 4.100 4.320 -0.001 0.000 0.220 495 A C 1.711 178.646 177.584 -1.083 0.000 1.177 495 A CA 1.956 53.348 52.037 -1.076 0.000 0.636 495 A CB -0.916 17.039 19.000 -1.740 0.000 0.815 495 A HN 0.963 nan 8.150 nan 0.000 0.449 496 W N -0.268 120.481 121.300 -0.919 0.000 2.465 496 W HA 0.060 4.719 4.660 -0.001 0.000 0.268 496 W C 1.474 177.963 176.519 -0.050 0.000 1.242 496 W CA 0.980 58.087 57.345 -0.396 0.000 1.248 496 W CB -0.166 29.319 29.460 0.042 0.000 1.118 496 W HN 0.132 nan 8.180 nan 0.000 0.587 497 K N 0.335 120.539 120.400 -0.327 0.000 2.228 497 K HA -0.024 4.296 4.320 -0.001 0.000 0.202 497 K C 1.912 178.470 176.600 -0.069 0.000 1.051 497 K CA 1.770 57.977 56.287 -0.134 0.000 0.960 497 K CB -0.222 32.123 32.500 -0.258 0.000 0.743 497 K HN 0.346 nan 8.250 nan 0.000 0.458 498 T N -3.131 111.340 114.554 -0.138 0.000 3.010 498 T HA 0.026 4.375 4.350 -0.001 0.000 0.257 498 T C 0.361 175.037 174.700 -0.041 0.000 1.020 498 T CA -0.365 61.685 62.100 -0.083 0.000 0.938 498 T CB -0.185 68.610 68.868 -0.121 0.000 1.049 498 T HN 0.091 nan 8.240 nan 0.000 0.522 499 H N 1.338 120.323 119.070 -0.142 0.000 2.848 499 H HA 0.466 5.021 4.556 -0.001 0.000 0.341 499 H C -0.721 174.548 175.328 -0.098 0.000 1.060 499 H CA -0.045 55.907 56.048 -0.160 0.000 1.444 499 H CB 0.662 30.285 29.762 -0.232 0.000 1.446 499 H HN 0.040 nan 8.280 nan 0.000 0.583 500 V N 6.881 126.349 119.914 -0.743 0.000 2.311 500 V HA 0.061 4.180 4.120 -0.001 0.000 0.275 500 V C -0.576 175.117 176.094 -0.668 0.000 1.022 500 V CA -0.711 61.339 62.300 -0.416 0.000 0.830 500 V CB -0.166 31.523 31.823 -0.224 0.000 1.012 500 V HN 0.748 nan 8.190 nan 0.000 0.452 501 W N 4.027 125.185 121.300 -0.236 0.000 2.251 501 W HA 0.237 4.896 4.660 -0.001 0.000 0.327 501 W C 1.442 177.952 176.519 -0.016 0.000 1.361 501 W CA -0.022 57.321 57.345 -0.004 0.000 1.234 501 W CB 0.173 29.715 29.460 0.137 0.000 1.212 501 W HN 0.608 nan 8.180 nan 0.000 0.557 502 Q N 2.249 122.168 119.800 0.199 0.000 2.036 502 Q HA -0.016 4.324 4.340 -0.001 0.000 0.195 502 Q C 1.138 177.224 176.000 0.144 0.000 0.971 502 Q CA 1.390 57.263 55.803 0.117 0.000 0.826 502 Q CB -0.342 28.441 28.738 0.075 0.000 0.896 502 Q HN 0.720 nan 8.270 nan 0.000 0.449 503 D N 0.000 120.512 120.400 0.187 0.000 6.856 503 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 503 D CA 0.000 54.083 54.000 0.138 0.000 0.868 503 D CB 0.000 40.869 40.800 0.114 0.000 0.688 503 D HN 0.000 nan 8.370 nan 0.000 0.683