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 1inf_1_A DATA FIRST_RESID 77 DATA SEQUENCE EPEWTYPRLS cQGSTFQKAL LISPHRFGEI KGNSAPLIIR EPFVAcGPKE DATA SEQUENCE cRHFALTHYA AQPGGYYNGT RKDRNKLRHL VSVKLGKIPT VENSIFHMAA DATA SEQUENCE WSGSAcHDGR EWTYIGVDGP DNDALVKIKY GEAYTDTYHS YAHNILRTQE DATA SEQUENCE SAcNcIGGDc YLMITDGSAS GISKCRFLKI REGRIIKEIL PTGRVEHTEE DATA SEQUENCE cTcGFASNKT IEcAcRDNSY TAKRPFVKLN VETDTAEIRL McTKTYLDTP DATA SEQUENCE RPDDGSIAGP cESNGDKWLG GIKGGFVHQR MASKIGRWYS RTMSKTNRMG DATA SEQUENCE MELYVKYDGD PWTDSDALTL SGVMVSIEEP GWYSFGFEIK DKKcDVPcIG DATA SEQUENCE IEMVHDGGKD TWHSAATAIY cLMGSGQLLW DTVTGVDMAL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 77 E HA 0.000 nan 4.350 nan 0.000 0.291 77 E C 0.000 176.530 176.600 -0.117 0.000 1.382 77 E CA 0.000 56.343 56.400 -0.095 0.000 0.976 77 E CB 0.000 29.625 29.700 -0.125 0.000 0.812 78 P HA 0.232 nan 4.420 nan 0.000 0.277 78 P C -1.290 175.883 177.300 -0.211 0.000 1.276 78 P CA -0.299 62.722 63.100 -0.131 0.000 0.788 78 P CB 1.091 32.728 31.700 -0.105 0.000 1.114 79 E N -2.115 117.993 120.200 -0.153 0.000 2.259 79 E HA 0.025 nan 4.350 nan 0.000 0.257 79 E C -0.962 175.574 176.600 -0.108 0.000 0.998 79 E CA -1.289 55.018 56.400 -0.155 0.000 0.866 79 E CB 1.246 30.940 29.700 -0.010 0.000 1.220 79 E HN -0.016 8.291 8.360 -0.089 0.000 0.415 80 W N -1.563 119.783 121.300 0.077 0.000 2.261 80 W HA 0.051 nan 4.660 nan 0.000 0.323 80 W C 0.124 176.658 176.519 0.025 0.000 1.243 80 W CA -0.529 56.823 57.345 0.011 0.000 1.210 80 W CB 0.910 30.346 29.460 -0.041 0.000 1.149 80 W HN -0.138 8.138 8.180 0.161 0.000 0.562 81 T N 3.927 118.600 114.554 0.198 0.000 2.897 81 T HA 0.244 nan 4.350 nan 0.000 0.294 81 T C -1.465 173.137 174.700 -0.165 0.000 1.004 81 T CA 0.782 62.933 62.100 0.085 0.000 1.106 81 T CB 1.057 69.966 68.868 0.068 0.000 0.949 81 T HN 0.347 8.741 8.240 0.257 0.000 0.520 82 Y N 1.483 121.754 120.300 -0.048 0.000 2.609 82 Y HA 0.386 nan 4.550 nan 0.000 0.342 82 Y C -2.520 173.263 175.900 -0.195 0.000 1.058 82 Y CA -3.501 54.499 58.100 -0.167 0.000 1.055 82 Y CB 2.914 41.306 38.460 -0.113 0.000 1.292 82 Y HN -0.077 8.320 8.280 0.194 0.000 0.476 83 P HA 0.210 nan 4.420 nan 0.000 0.285 83 P C -1.803 175.485 177.300 -0.021 0.000 1.259 83 P CA -0.648 62.384 63.100 -0.113 0.000 0.794 83 P CB 0.699 32.263 31.700 -0.227 0.000 0.940 84 R N 1.415 121.920 120.500 0.008 0.000 2.867 84 R HA 0.349 nan 4.340 nan 0.000 0.227 84 R C -0.816 175.495 176.300 0.019 0.000 1.372 84 R CA -2.294 53.812 56.100 0.010 0.000 1.083 84 R CB 1.974 32.282 30.300 0.014 0.000 1.596 84 R HN -0.247 8.257 8.270 0.016 -0.224 0.522 85 L N -0.303 120.932 121.223 0.019 0.000 2.417 85 L HA 0.235 nan 4.340 nan 0.000 0.268 85 L C 0.606 177.498 176.870 0.037 0.000 1.158 85 L CA -0.063 54.797 54.840 0.033 0.000 0.819 85 L CB 0.240 42.318 42.059 0.031 0.000 1.112 85 L HN 0.273 8.511 8.230 0.013 0.000 0.458 86 S N 1.645 117.377 115.700 0.053 0.000 2.576 86 S HA -0.017 nan 4.470 nan 0.000 0.272 86 S C -0.080 174.540 174.600 0.033 0.000 1.352 86 S CA 0.924 59.151 58.200 0.045 0.000 1.021 86 S CB 0.458 63.701 63.200 0.072 0.000 0.887 86 S HN -0.029 8.322 8.310 0.069 0.000 0.542 87 c N 2.472 121.077 118.600 0.008 0.000 2.652 87 c HA -0.092 nan 4.570 nan 0.000 0.412 87 c C -0.534 173.565 174.090 0.015 0.000 1.294 87 c CA 0.774 57.103 56.329 0.001 0.000 2.127 87 c CB -0.029 42.466 42.510 -0.025 0.000 2.691 87 c HN 0.399 8.538 8.230 -0.009 0.086 0.615 88 Q N 4.342 124.155 119.800 0.021 0.000 2.332 88 Q HA -0.024 nan 4.340 nan 0.000 0.263 88 Q C -0.450 175.570 176.000 0.034 0.000 0.979 88 Q CA 0.603 56.430 55.803 0.041 0.000 0.885 88 Q CB 0.774 29.534 28.738 0.036 0.000 1.218 88 Q HN 0.315 8.593 8.270 0.014 0.000 0.405 89 G N 1.198 110.040 108.800 0.069 0.000 2.441 89 G HA2 0.214 nan 3.960 nan 0.000 0.294 89 G HA3 0.214 nan 3.960 nan 0.000 0.294 89 G C -2.053 172.941 174.900 0.158 0.000 1.393 89 G CA 0.465 45.606 45.100 0.069 0.000 0.796 89 G HN -0.493 7.860 8.290 0.105 0.000 0.494 90 S N -3.997 111.819 115.700 0.194 0.000 2.560 90 S HA 0.135 nan 4.470 nan 0.000 0.281 90 S C -0.781 174.087 174.600 0.446 0.000 1.075 90 S CA 0.140 58.533 58.200 0.323 0.000 1.295 90 S CB 2.255 65.581 63.200 0.210 0.000 1.156 90 S HN 0.724 9.119 8.310 0.143 0.000 0.627 91 T N 2.140 116.886 114.554 0.320 0.000 2.888 91 T HA 0.412 nan 4.350 nan 0.000 0.288 91 T C -2.370 172.515 174.700 0.309 0.000 1.063 91 T CA -1.011 61.315 62.100 0.376 0.000 1.010 91 T CB 2.256 71.278 68.868 0.257 0.000 1.214 91 T HN -0.622 7.739 8.240 0.201 0.000 0.533 92 F N 0.301 120.235 119.950 -0.028 0.000 2.495 92 F HA 0.762 nan 4.527 nan 0.000 0.327 92 F C -1.180 174.666 175.800 0.076 0.000 1.103 92 F CA -1.861 56.092 58.000 -0.079 0.000 0.949 92 F CB 2.467 41.378 39.000 -0.149 0.000 1.142 92 F HN 0.329 8.890 8.300 0.435 0.000 0.457 93 Q N -0.310 119.567 119.800 0.129 0.000 2.421 93 Q HA 0.398 nan 4.340 nan 0.000 0.280 93 Q C -1.568 174.299 176.000 -0.221 0.000 1.085 93 Q CA -2.405 53.441 55.803 0.072 0.000 0.807 93 Q CB 4.363 33.102 28.738 0.003 0.000 1.405 93 Q HN 0.633 8.868 8.270 -0.058 0.000 0.419 94 K N 2.143 122.251 120.400 -0.487 0.000 2.511 94 K HA -0.258 nan 4.320 nan 0.000 0.280 94 K C -0.885 175.458 176.600 -0.428 0.000 1.008 94 K CA 1.569 57.277 56.287 -0.965 0.000 1.050 94 K CB 0.365 32.594 32.500 -0.451 0.000 0.889 94 K HN 0.575 8.735 8.250 -0.150 0.000 0.484 95 A N 7.065 129.659 122.820 -0.377 0.000 1.975 95 A HA 0.290 nan 4.320 nan 0.000 0.197 95 A C -1.480 176.051 177.584 -0.088 0.000 1.537 95 A CA 0.542 52.477 52.037 -0.170 0.000 0.972 95 A CB 1.879 20.799 19.000 -0.133 0.000 1.019 95 A HN 0.748 8.602 8.150 -0.493 0.000 0.488 96 L N -3.246 117.932 121.223 -0.075 0.000 2.710 96 L HA 0.367 nan 4.340 nan 0.000 0.260 96 L C -2.888 173.984 176.870 0.005 0.000 0.993 96 L CA 0.212 55.042 54.840 -0.015 0.000 0.877 96 L CB 3.602 45.668 42.059 0.011 0.000 1.461 96 L HN -0.594 7.567 8.230 -0.115 0.000 0.413 97 L N 1.524 122.764 121.223 0.027 0.000 2.422 97 L HA 0.746 nan 4.340 nan 0.000 0.264 97 L C -1.878 175.034 176.870 0.069 0.000 0.984 97 L CA -0.567 54.305 54.840 0.053 0.000 0.819 97 L CB 3.453 45.539 42.059 0.045 0.000 1.330 97 L HN 0.052 8.300 8.230 0.030 0.000 0.410 98 I N 5.801 126.427 120.570 0.093 0.000 2.464 98 I HA 0.237 nan 4.170 nan 0.000 0.277 98 I C -1.569 174.645 176.117 0.161 0.000 1.040 98 I CA -1.106 60.272 61.300 0.130 0.000 1.153 98 I CB -0.108 37.987 38.000 0.158 0.000 1.274 98 I HN 0.609 8.878 8.210 0.098 0.000 0.469 99 S N 7.475 123.261 115.700 0.144 0.000 2.468 99 S HA 0.462 nan 4.470 nan 0.000 0.190 99 S C -0.912 173.749 174.600 0.101 0.000 1.445 99 S CA -4.875 53.415 58.200 0.150 0.000 1.084 99 S CB 0.226 63.485 63.200 0.098 0.000 1.175 99 S HN 0.485 8.876 8.310 0.135 0.000 0.484 100 P HA -0.212 nan 4.420 nan 0.000 0.216 100 P C 0.831 177.992 177.300 -0.232 0.000 1.150 100 P CA 1.978 65.057 63.100 -0.035 0.000 0.843 100 P CB 0.089 31.639 31.700 -0.250 0.000 0.787 101 H N -5.428 113.619 119.070 -0.038 0.000 2.556 101 H HA 0.008 nan 4.556 nan 0.000 0.268 101 H C 1.775 176.959 175.328 -0.240 0.000 0.996 101 H CA 1.708 57.635 56.048 -0.202 0.000 1.157 101 H CB -0.965 28.585 29.762 -0.354 0.000 1.355 101 H HN 0.210 8.436 8.280 -0.034 0.034 0.597 102 R N -0.410 119.911 120.500 -0.299 0.000 2.235 102 R HA -0.169 nan 4.340 nan 0.000 0.213 102 R C 0.836 176.755 176.300 -0.635 0.000 1.059 102 R CA 1.657 57.444 56.100 -0.521 0.000 0.997 102 R CB -0.067 29.735 30.300 -0.830 0.000 0.884 102 R HN -0.319 7.717 8.270 -0.277 0.068 0.462 103 F N -3.383 116.513 119.950 -0.090 0.000 2.850 103 F HA 0.190 nan 4.527 nan 0.000 0.306 103 F C -0.674 175.043 175.800 -0.138 0.000 1.162 103 F CA -1.039 56.900 58.000 -0.102 0.000 1.327 103 F CB -0.131 38.804 39.000 -0.108 0.000 0.953 103 F HN -0.694 7.291 8.300 -0.256 0.161 0.507 104 G N -3.007 105.762 108.800 -0.051 0.000 3.993 104 G HA2 0.095 nan 3.960 nan 0.000 0.294 104 G HA3 0.095 nan 3.960 nan 0.000 0.294 104 G C -0.938 173.901 174.900 -0.103 0.000 1.043 104 G CA -0.450 44.580 45.100 -0.115 0.000 0.839 104 G HN -0.826 7.408 8.290 -0.093 0.000 0.516 105 E N 0.533 120.709 120.200 -0.041 0.000 2.408 105 E HA -0.121 nan 4.350 nan 0.000 0.259 105 E C 0.371 176.969 176.600 -0.004 0.000 1.110 105 E CA -0.159 56.233 56.400 -0.013 0.000 0.929 105 E CB 0.885 30.587 29.700 0.003 0.000 0.971 105 E HN -0.676 7.607 8.360 -0.019 0.065 0.438 106 I N 2.312 122.891 120.570 0.014 0.000 2.315 106 I HA -0.332 nan 4.170 nan 0.000 0.248 106 I C 0.535 176.658 176.117 0.010 0.000 1.117 106 I CA 2.624 63.933 61.300 0.016 0.000 1.404 106 I CB -0.362 37.655 38.000 0.030 0.000 1.071 106 I HN 0.196 8.422 8.210 0.026 0.000 0.419 107 K N -1.353 119.054 120.400 0.013 0.000 2.432 107 K HA -0.007 nan 4.320 nan 0.000 0.196 107 K C 0.385 176.991 176.600 0.011 0.000 1.038 107 K CA -0.051 56.243 56.287 0.011 0.000 0.986 107 K CB -0.344 32.164 32.500 0.013 0.000 0.782 107 K HN -0.025 8.221 8.250 0.016 0.014 0.485 108 G N 0.898 109.706 108.800 0.013 0.000 2.547 108 G HA2 -0.081 nan 3.960 nan 0.000 0.291 108 G HA3 -0.081 nan 3.960 nan 0.000 0.291 108 G C -1.048 173.857 174.900 0.009 0.000 1.211 108 G CA -0.716 44.396 45.100 0.021 0.000 0.950 108 G HN -0.625 7.475 8.290 0.010 0.196 0.504 109 N N -0.716 117.987 118.700 0.006 0.000 2.458 109 N HA 0.239 nan 4.740 nan 0.000 0.274 109 N C -1.250 174.244 175.510 -0.027 0.000 1.242 109 N CA 0.115 53.158 53.050 -0.012 0.000 0.904 109 N CB 0.779 39.256 38.487 -0.017 0.000 1.206 109 N HN 0.147 8.538 8.380 0.017 0.000 0.510 110 S N 0.788 116.475 115.700 -0.021 0.000 2.751 110 S HA 0.351 nan 4.470 nan 0.000 0.310 110 S C -1.585 172.986 174.600 -0.048 0.000 1.128 110 S CA -0.595 57.578 58.200 -0.045 0.000 0.931 110 S CB 2.092 65.266 63.200 -0.043 0.000 1.177 110 S HN -0.474 7.775 8.310 -0.005 0.058 0.530 111 A N 0.853 123.633 122.820 -0.067 0.000 3.300 111 A HA 0.283 nan 4.320 nan 0.000 0.300 111 A C -2.940 174.591 177.584 -0.088 0.000 1.099 111 A CA -1.394 50.605 52.037 -0.062 0.000 0.846 111 A CB -0.091 18.886 19.000 -0.039 0.000 1.255 111 A HN 0.246 8.345 8.150 -0.085 0.000 0.519 112 P HA 0.280 nan 4.420 nan 0.000 0.275 112 P C -1.220 176.003 177.300 -0.129 0.000 1.227 112 P CA -0.623 62.362 63.100 -0.192 0.000 0.781 112 P CB 0.562 32.036 31.700 -0.377 0.000 0.906 113 L N 1.345 122.509 121.223 -0.097 0.000 2.456 113 L HA 0.063 nan 4.340 nan 0.000 0.272 113 L C 0.408 177.329 176.870 0.084 0.000 1.189 113 L CA -0.024 54.803 54.840 -0.023 0.000 0.846 113 L CB 0.463 42.462 42.059 -0.099 0.000 1.111 113 L HN -0.210 7.941 8.230 -0.131 0.000 0.475 114 I N 3.237 123.911 120.570 0.172 0.000 2.363 114 I HA 0.056 nan 4.170 nan 0.000 0.292 114 I C -1.050 175.207 176.117 0.233 0.000 1.075 114 I CA 0.863 62.323 61.300 0.267 0.000 1.333 114 I CB -1.161 37.022 38.000 0.304 0.000 1.415 114 I HN 0.478 8.784 8.210 0.160 0.000 0.502 115 I N 3.587 124.284 120.570 0.212 0.000 3.322 115 I HA 0.962 nan 4.170 nan 0.000 0.313 115 I C -1.897 174.304 176.117 0.140 0.000 1.129 115 I CA -2.968 58.419 61.300 0.144 0.000 0.963 115 I CB 3.958 41.981 38.000 0.038 0.000 1.273 115 I HN 0.636 8.999 8.210 0.255 0.000 0.473 116 R N -1.439 119.119 120.500 0.096 0.000 2.741 116 R HA 0.217 nan 4.340 nan 0.000 0.274 116 R C -1.608 174.733 176.300 0.068 0.000 1.029 116 R CA -1.104 55.032 56.100 0.060 0.000 0.880 116 R CB 4.064 34.417 30.300 0.089 0.000 1.264 116 R HN -0.360 7.954 8.270 0.073 0.000 0.465 117 E N -2.232 117.994 120.200 0.043 0.000 2.210 117 E HA -0.293 nan 4.350 nan 0.000 0.201 117 E C -2.366 174.376 176.600 0.237 0.000 1.339 117 E CA 0.866 57.357 56.400 0.152 0.000 0.699 117 E CB -1.939 27.875 29.700 0.189 0.000 1.126 117 E HN -0.122 8.427 8.360 -0.053 -0.222 0.355 118 P HA 0.206 nan 4.420 nan 0.000 0.279 118 P C -1.824 175.512 177.300 0.061 0.000 1.252 118 P CA -0.539 62.665 63.100 0.172 0.000 0.811 118 P CB 1.115 32.995 31.700 0.299 0.000 1.035 119 F N -5.047 114.737 119.950 -0.277 0.000 2.741 119 F HA 0.377 nan 4.527 nan 0.000 0.313 119 F C -2.676 172.877 175.800 -0.411 0.000 1.153 119 F CA -1.627 55.780 58.000 -0.988 0.000 0.931 119 F CB 1.924 40.515 39.000 -0.683 0.000 1.335 119 F HN 0.106 8.234 8.300 -0.288 0.000 0.460 120 V N -0.875 118.866 119.914 -0.288 0.000 2.709 120 V HA 0.731 nan 4.120 nan 0.000 0.308 120 V C -1.447 174.665 176.094 0.029 0.000 1.062 120 V CA -1.332 60.831 62.300 -0.228 0.000 0.901 120 V CB 2.998 34.309 31.823 -0.852 0.000 1.003 120 V HN 0.192 8.153 8.190 -0.383 0.000 0.425 121 A N 5.105 128.082 122.820 0.262 0.000 2.449 121 A HA 0.634 nan 4.320 nan 0.000 0.302 121 A C -2.238 175.676 177.584 0.550 0.000 1.048 121 A CA -1.509 50.805 52.037 0.461 0.000 0.708 121 A CB 3.368 22.739 19.000 0.619 0.000 1.274 121 A HN 0.347 8.673 8.150 0.294 0.000 0.410 122 c N 0.058 118.892 118.600 0.390 0.000 2.719 122 c HA 0.994 nan 4.570 nan 0.000 0.327 122 c C -0.127 173.946 174.090 -0.028 0.000 1.238 122 c CA -2.068 54.417 56.329 0.260 0.000 1.727 122 c CB 3.606 46.246 42.510 0.216 0.000 2.256 122 c HN 0.551 8.986 8.230 0.343 0.000 0.489 123 G N -1.267 107.414 108.800 -0.198 0.000 3.140 123 G HA2 0.527 nan 3.960 nan 0.000 0.271 123 G HA3 0.527 nan 3.960 nan 0.000 0.271 123 G C -2.731 172.006 174.900 -0.270 0.000 1.370 123 G CA -1.082 43.690 45.100 -0.547 0.000 1.014 123 G HN 0.508 8.654 8.290 -0.053 0.111 0.541 124 P HA -0.033 nan 4.420 nan 0.000 0.221 124 P C -0.094 177.153 177.300 -0.089 0.000 1.150 124 P CA 1.538 64.567 63.100 -0.119 0.000 0.800 124 P CB 0.429 32.074 31.700 -0.092 0.000 0.787 125 K N -5.139 115.188 120.400 -0.122 0.000 2.360 125 K HA 0.160 nan 4.320 nan 0.000 0.196 125 K C -0.754 175.837 176.600 -0.016 0.000 1.049 125 K CA -0.286 55.968 56.287 -0.056 0.000 1.049 125 K CB 0.919 33.390 32.500 -0.048 0.000 0.881 125 K HN 0.010 8.096 8.250 -0.216 0.035 0.542 126 E N -3.637 116.558 120.200 -0.008 0.000 2.403 126 E HA 0.087 nan 4.350 nan 0.000 0.280 126 E C -2.542 174.143 176.600 0.143 0.000 1.101 126 E CA -0.822 55.618 56.400 0.067 0.000 0.856 126 E CB 1.797 31.549 29.700 0.087 0.000 1.303 126 E HN -0.597 7.723 8.360 -0.067 0.000 0.441 127 c N 0.893 119.581 118.600 0.147 0.000 2.435 127 c HA 0.857 nan 4.570 nan 0.000 0.333 127 c C -0.391 173.772 174.090 0.122 0.000 1.202 127 c CA -1.033 55.405 56.329 0.182 0.000 1.830 127 c CB 1.728 44.303 42.510 0.110 0.000 2.326 127 c HN 0.670 8.960 8.230 0.101 0.000 0.507 128 R N 0.349 120.917 120.500 0.113 0.000 2.807 128 R HA 0.747 nan 4.340 nan 0.000 0.276 128 R C -2.016 174.142 176.300 -0.237 0.000 0.979 128 R CA -1.704 54.288 56.100 -0.179 0.000 0.928 128 R CB 3.742 33.726 30.300 -0.526 0.000 1.191 128 R HN 0.936 9.363 8.270 0.261 0.000 0.471 129 H N 2.485 121.262 119.070 -0.488 0.000 2.581 129 H HA 0.473 nan 4.556 nan 0.000 0.308 129 H C -1.413 173.525 175.328 -0.651 0.000 1.040 129 H CA -2.157 53.637 56.048 -0.423 0.000 1.231 129 H CB 2.048 31.654 29.762 -0.259 0.000 1.396 129 H HN 0.689 8.670 8.280 -0.319 0.107 0.467 130 F N 6.442 126.071 119.950 -0.534 0.000 2.440 130 F HA 0.635 nan 4.527 nan 0.000 0.328 130 F C -1.510 173.905 175.800 -0.641 0.000 1.070 130 F CA -1.084 56.465 58.000 -0.753 0.000 1.011 130 F CB 3.060 41.249 39.000 -1.353 0.000 1.226 130 F HN 0.453 8.614 8.300 -0.232 0.000 0.491 131 A N -1.327 121.357 122.820 -0.226 0.000 2.515 131 A HA 0.583 nan 4.320 nan 0.000 0.292 131 A C -2.680 174.880 177.584 -0.040 0.000 1.065 131 A CA 0.227 52.192 52.037 -0.119 0.000 0.641 131 A CB 2.925 21.812 19.000 -0.188 0.000 1.306 131 A HN 0.500 8.569 8.150 -0.136 0.000 0.441 132 L N -1.361 119.866 121.223 0.008 0.000 2.324 132 L HA 0.605 nan 4.340 nan 0.000 0.274 132 L C -0.879 175.981 176.870 -0.016 0.000 1.012 132 L CA -1.088 53.764 54.840 0.019 0.000 0.859 132 L CB 0.532 42.627 42.059 0.060 0.000 1.224 132 L HN -0.073 8.173 8.230 0.027 0.000 0.429 133 T N 5.675 120.209 114.554 -0.034 0.000 2.868 133 T HA 0.203 nan 4.350 nan 0.000 0.292 133 T C 0.268 175.006 174.700 0.064 0.000 1.028 133 T CA -0.238 61.863 62.100 0.001 0.000 1.059 133 T CB 1.182 69.991 68.868 -0.098 0.000 0.991 133 T HN 0.740 8.946 8.240 -0.057 0.000 0.531 134 H N 7.513 126.697 119.070 0.191 0.000 2.537 134 H HA 0.102 nan 4.556 nan 0.000 0.295 134 H C -0.541 174.974 175.328 0.312 0.000 1.054 134 H CA -0.327 55.867 56.048 0.244 0.000 1.156 134 H CB 0.228 30.121 29.762 0.218 0.000 1.468 134 H HN 0.495 8.938 8.280 0.272 0.000 0.551 135 Y N -4.996 115.451 120.300 0.245 0.000 3.491 135 Y HA -0.496 nan 4.550 nan 0.000 0.215 135 Y C -1.626 174.371 175.900 0.161 0.000 1.219 135 Y CA 0.339 58.563 58.100 0.207 0.000 1.485 135 Y CB -2.015 36.523 38.460 0.131 0.000 1.450 135 Y HN 0.021 8.349 8.280 0.268 0.114 0.603 136 A N -3.263 119.730 122.820 0.289 0.000 2.587 136 A HA 0.307 nan 4.320 nan 0.000 0.293 136 A C -2.759 174.964 177.584 0.232 0.000 1.087 136 A CA -0.754 51.459 52.037 0.292 0.000 0.692 136 A CB 3.639 22.864 19.000 0.375 0.000 1.291 136 A HN -0.423 7.872 8.150 0.265 0.013 0.407 137 A N -0.578 122.364 122.820 0.202 0.000 2.387 137 A HA 0.886 nan 4.320 nan 0.000 0.303 137 A C -1.970 175.702 177.584 0.147 0.000 1.145 137 A CA -1.031 51.084 52.037 0.131 0.000 0.801 137 A CB 2.908 21.944 19.000 0.060 0.000 1.342 137 A HN 0.132 8.414 8.150 0.219 0.000 0.440 138 Q N -0.961 118.861 119.800 0.037 0.000 2.325 138 Q HA 0.481 nan 4.340 nan 0.000 0.270 138 Q C -2.850 173.098 176.000 -0.086 0.000 1.020 138 Q CA -3.887 51.882 55.803 -0.056 0.000 0.785 138 Q CB 3.077 31.599 28.738 -0.359 0.000 1.259 138 Q HN -0.145 8.119 8.270 -0.011 0.000 0.452 139 P HA 0.402 nan 4.420 nan 0.000 0.277 139 P C -2.014 175.292 177.300 0.010 0.000 1.240 139 P CA -0.644 62.471 63.100 0.024 0.000 0.798 139 P CB 1.487 33.193 31.700 0.010 0.000 0.979 140 G N 0.015 108.778 108.800 -0.062 0.000 2.731 140 G HA2 0.123 nan 3.960 nan 0.000 0.309 140 G HA3 0.123 nan 3.960 nan 0.000 0.309 140 G C -1.772 172.817 174.900 -0.518 0.000 1.273 140 G CA 0.284 45.270 45.100 -0.191 0.000 0.798 140 G HN -0.480 7.783 8.290 -0.046 0.000 0.509 141 G N -2.432 106.048 108.800 -0.532 0.000 3.839 141 G HA2 0.206 nan 3.960 nan 0.000 0.286 141 G HA3 0.206 nan 3.960 nan 0.000 0.286 141 G C -0.519 173.964 174.900 -0.694 0.000 1.005 141 G CA 0.156 44.855 45.100 -0.669 0.000 0.824 141 G HN -0.070 7.988 8.290 -0.387 0.000 0.489 142 Y N -0.731 119.438 120.300 -0.219 0.000 2.557 142 Y HA 0.325 nan 4.550 nan 0.000 0.352 142 Y C -0.431 175.542 175.900 0.121 0.000 0.918 142 Y CA -1.939 56.147 58.100 -0.024 0.000 1.232 142 Y CB -0.716 37.775 38.460 0.052 0.000 1.235 142 Y HN -0.070 8.051 8.280 -0.265 0.000 0.596 143 Y N -1.627 118.773 120.300 0.167 0.000 2.395 143 Y HA -0.172 nan 4.550 nan 0.000 0.293 143 Y C 0.428 176.378 175.900 0.084 0.000 1.123 143 Y CA -0.904 57.287 58.100 0.152 0.000 1.227 143 Y CB -0.077 38.487 38.460 0.174 0.000 1.012 143 Y HN -0.349 7.899 8.280 -0.052 0.000 0.552 144 N N -0.264 118.569 118.700 0.220 0.000 2.468 144 N HA -0.230 nan 4.740 nan 0.000 0.265 144 N C 0.748 176.305 175.510 0.078 0.000 1.199 144 N CA 1.357 54.478 53.050 0.118 0.000 0.928 144 N CB 0.146 38.690 38.487 0.096 0.000 1.059 144 N HN -0.435 8.070 8.380 0.207 0.000 0.467 145 G N 4.383 113.184 108.800 0.003 0.000 2.254 145 G HA2 -0.337 nan 3.960 nan 0.000 0.225 145 G HA3 -0.337 nan 3.960 nan 0.000 0.225 145 G C 1.119 175.854 174.900 -0.275 0.000 1.003 145 G CA 0.238 45.307 45.100 -0.051 0.000 0.622 145 G HN 0.402 8.685 8.290 -0.011 0.000 0.507 146 T N -1.171 113.193 114.554 -0.318 0.000 2.803 146 T HA -0.340 nan 4.350 nan 0.000 0.269 146 T C 0.860 175.228 174.700 -0.552 0.000 1.052 146 T CA 2.891 64.593 62.100 -0.663 0.000 1.136 146 T CB -0.458 68.343 68.868 -0.112 0.000 0.864 146 T HN -0.286 7.823 8.240 -0.098 0.072 0.467 147 R N 0.117 120.393 120.500 -0.373 0.000 2.235 147 R HA -0.152 nan 4.340 nan 0.000 0.213 147 R C -0.100 176.016 176.300 -0.308 0.000 1.059 147 R CA 0.924 56.683 56.100 -0.568 0.000 0.997 147 R CB 0.435 30.444 30.300 -0.486 0.000 0.884 147 R HN 0.133 8.222 8.270 -0.263 0.024 0.462 148 K N -2.605 117.710 120.400 -0.142 0.000 2.098 148 K HA 0.086 nan 4.320 nan 0.000 0.244 148 K C -0.129 176.571 176.600 0.168 0.000 1.014 148 K CA -0.522 55.766 56.287 0.002 0.000 0.917 148 K CB 1.198 33.702 32.500 0.006 0.000 1.072 148 K HN -0.620 7.348 8.250 -0.196 0.164 0.477 149 D N -1.179 119.289 120.400 0.114 0.000 2.355 149 D HA 0.004 nan 4.640 nan 0.000 0.206 149 D C 0.510 176.849 176.300 0.064 0.000 1.010 149 D CA 1.801 55.879 54.000 0.130 0.000 0.875 149 D CB 0.978 41.835 40.800 0.095 0.000 0.966 149 D HN 0.358 8.755 8.370 0.046 0.000 0.512 150 R N -1.742 118.716 120.500 -0.071 0.000 2.575 150 R HA 0.236 nan 4.340 nan 0.000 0.293 150 R C -2.314 173.892 176.300 -0.157 0.000 0.983 150 R CA -0.345 55.572 56.100 -0.303 0.000 0.887 150 R CB 2.311 32.071 30.300 -0.900 0.000 1.184 150 R HN -0.157 8.081 8.270 -0.054 0.000 0.445 151 N N 1.538 120.220 118.700 -0.030 0.000 3.355 151 N HA -0.011 nan 4.740 nan 0.000 0.238 151 N C -0.363 175.258 175.510 0.186 0.000 1.466 151 N CA 0.044 53.136 53.050 0.071 0.000 0.882 151 N CB 1.198 39.753 38.487 0.113 0.000 1.406 151 N HN 0.183 8.606 8.380 0.071 0.000 0.500 152 K N -1.436 119.047 120.400 0.139 0.000 2.555 152 K HA -0.098 nan 4.320 nan 0.000 0.193 152 K C -0.374 176.304 176.600 0.130 0.000 1.032 152 K CA 1.778 58.146 56.287 0.134 0.000 1.004 152 K CB -0.490 32.056 32.500 0.076 0.000 0.804 152 K HN 0.331 8.639 8.250 0.096 0.000 0.496 153 L N -1.814 119.505 121.223 0.160 0.000 2.357 153 L HA 0.047 nan 4.340 nan 0.000 0.211 153 L C 0.183 177.296 176.870 0.405 0.000 1.075 153 L CA -0.224 54.726 54.840 0.183 0.000 0.830 153 L CB 0.549 42.682 42.059 0.123 0.000 0.996 153 L HN -0.085 8.482 8.230 0.173 -0.234 0.467 154 R N -1.062 119.625 120.500 0.311 0.000 2.537 154 R HA -0.271 nan 4.340 nan 0.000 0.281 154 R C -0.678 175.808 176.300 0.310 0.000 0.988 154 R CA 1.709 57.971 56.100 0.270 0.000 1.077 154 R CB -0.197 30.181 30.300 0.129 0.000 0.932 154 R HN -0.351 8.361 8.270 0.256 -0.289 0.409 155 H N 2.287 121.477 119.070 0.201 0.000 2.806 155 H HA 0.446 nan 4.556 nan 0.000 0.367 155 H C -1.850 173.505 175.328 0.044 0.000 1.136 155 H CA -0.771 55.389 56.048 0.187 0.000 1.178 155 H CB 3.859 33.852 29.762 0.386 0.000 1.718 155 H HN 0.088 8.570 8.280 0.338 0.000 0.540 156 L N 4.432 125.735 121.223 0.133 0.000 2.315 156 L HA 0.343 nan 4.340 nan 0.000 0.283 156 L C -1.919 174.985 176.870 0.057 0.000 1.089 156 L CA 0.149 55.049 54.840 0.100 0.000 0.833 156 L CB 0.429 42.566 42.059 0.131 0.000 1.170 156 L HN -0.111 8.186 8.230 0.112 0.000 0.442 157 V N 1.660 121.503 119.914 -0.118 0.000 3.019 157 V HA 0.998 nan 4.120 nan 0.000 0.317 157 V C -1.996 173.914 176.094 -0.306 0.000 1.094 157 V CA -3.699 58.385 62.300 -0.361 0.000 1.000 157 V CB 3.022 34.415 31.823 -0.717 0.000 1.060 157 V HN 0.993 9.005 8.190 -0.113 0.110 0.443 158 S N -1.244 114.174 115.700 -0.470 0.000 2.537 158 S HA 0.702 nan 4.470 nan 0.000 0.271 158 S C -1.975 172.305 174.600 -0.533 0.000 1.148 158 S CA -0.862 56.953 58.200 -0.641 0.000 0.868 158 S CB 2.716 65.339 63.200 -0.960 0.000 1.115 158 S HN -0.145 7.838 8.310 -0.546 0.000 0.461 159 V N -5.373 114.241 119.914 -0.499 0.000 3.130 159 V HA 0.517 nan 4.120 nan 0.000 0.310 159 V C -2.141 173.784 176.094 -0.282 0.000 1.158 159 V CA -2.950 59.154 62.300 -0.327 0.000 1.029 159 V CB 3.638 35.313 31.823 -0.247 0.000 1.057 159 V HN 0.597 8.441 8.190 -0.576 0.000 0.436 160 K N 0.372 120.665 120.400 -0.178 0.000 2.295 160 K HA 0.147 nan 4.320 nan 0.000 0.270 160 K C -0.600 175.959 176.600 -0.068 0.000 1.011 160 K CA 0.214 56.434 56.287 -0.112 0.000 0.953 160 K CB 1.238 33.700 32.500 -0.063 0.000 0.956 160 K HN 0.190 8.345 8.250 -0.158 0.000 0.477 161 L N 5.310 126.509 121.223 -0.041 0.000 2.597 161 L HA -0.263 nan 4.340 nan 0.000 0.271 161 L C -0.313 176.552 176.870 -0.008 0.000 1.157 161 L CA 1.745 56.571 54.840 -0.023 0.000 0.928 161 L CB -0.579 41.460 42.059 -0.032 0.000 1.216 161 L HN 0.151 8.264 8.230 -0.034 0.096 0.481 162 G N 3.927 112.728 108.800 0.001 0.000 2.480 162 G HA2 -0.145 nan 3.960 nan 0.000 0.193 162 G HA3 -0.145 nan 3.960 nan 0.000 0.193 162 G C -0.808 174.091 174.900 -0.002 0.000 1.004 162 G CA -0.437 44.665 45.100 0.004 0.000 0.696 162 G HN -0.078 8.222 8.290 0.018 0.000 0.478 163 K N 1.156 121.546 120.400 -0.016 0.000 2.118 163 K HA 0.376 nan 4.320 nan 0.000 0.267 163 K C -0.546 176.035 176.600 -0.032 0.000 0.991 163 K CA -1.611 54.650 56.287 -0.044 0.000 0.916 163 K CB 0.914 33.368 32.500 -0.076 0.000 1.041 163 K HN -0.214 7.970 8.250 -0.018 0.055 0.455 164 I N 1.908 122.441 120.570 -0.063 0.000 2.416 164 I HA 0.073 nan 4.170 nan 0.000 0.288 164 I C -1.405 174.648 176.117 -0.108 0.000 1.051 164 I CA -3.770 57.495 61.300 -0.058 0.000 1.375 164 I CB -0.928 37.006 38.000 -0.111 0.000 1.407 164 I HN 0.296 8.451 8.210 -0.091 0.000 0.516 165 P HA 0.121 nan 4.420 nan 0.000 0.268 165 P C -1.713 175.481 177.300 -0.177 0.000 1.541 165 P CA -0.356 62.628 63.100 -0.194 0.000 1.093 165 P CB -0.890 30.655 31.700 -0.258 0.000 1.551 166 T N -1.491 112.967 114.554 -0.161 0.000 2.942 166 T HA 0.531 nan 4.350 nan 0.000 0.289 166 T C 0.792 175.428 174.700 -0.106 0.000 1.044 166 T CA -2.647 59.374 62.100 -0.131 0.000 1.023 166 T CB 3.209 72.001 68.868 -0.127 0.000 1.123 166 T HN -0.557 7.585 8.240 -0.162 0.000 0.512 167 V N 1.127 121.004 119.914 -0.062 0.000 2.233 167 V HA -0.501 nan 4.120 nan 0.000 0.252 167 V C 1.671 177.763 176.094 -0.003 0.000 1.063 167 V CA 4.387 66.684 62.300 -0.005 0.000 1.032 167 V CB -0.759 31.058 31.823 -0.011 0.000 0.645 167 V HN 0.269 8.421 8.190 -0.063 0.000 0.446 168 E N -2.894 117.281 120.200 -0.042 0.000 2.072 168 E HA -0.203 nan 4.350 nan 0.000 0.190 168 E C 1.454 178.013 176.600 -0.068 0.000 0.982 168 E CA 1.999 58.369 56.400 -0.049 0.000 0.803 168 E CB -0.282 29.384 29.700 -0.057 0.000 0.755 168 E HN -0.058 8.270 8.360 -0.054 0.000 0.453 169 N N -1.287 117.358 118.700 -0.093 0.000 2.120 169 N HA -0.166 nan 4.740 nan 0.000 0.188 169 N C 0.481 175.903 175.510 -0.147 0.000 1.024 169 N CA 1.766 54.746 53.050 -0.117 0.000 0.852 169 N CB 0.756 39.164 38.487 -0.131 0.000 1.003 169 N HN -0.719 7.604 8.380 -0.095 0.000 0.424 170 S N -1.911 113.687 115.700 -0.170 0.000 2.579 170 S HA 0.063 nan 4.470 nan 0.000 0.275 170 S C -0.774 173.696 174.600 -0.216 0.000 1.345 170 S CA 1.166 59.208 58.200 -0.264 0.000 1.031 170 S CB 0.826 63.793 63.200 -0.389 0.000 0.892 170 S HN -0.050 8.066 8.310 -0.146 0.106 0.529 171 I N 2.922 123.281 120.570 -0.351 0.000 2.418 171 I HA 0.226 nan 4.170 nan 0.000 0.287 171 I C -2.353 173.468 176.117 -0.493 0.000 1.008 171 I CA -1.278 59.823 61.300 -0.331 0.000 1.104 171 I CB 3.041 40.783 38.000 -0.430 0.000 1.264 171 I HN 0.026 7.965 8.210 -0.451 0.000 0.438 172 F N 9.268 128.993 119.950 -0.375 0.000 2.424 172 F HA 0.157 nan 4.527 nan 0.000 0.356 172 F C -0.202 175.462 175.800 -0.226 0.000 1.110 172 F CA 0.066 57.922 58.000 -0.240 0.000 1.161 172 F CB -0.053 38.861 39.000 -0.145 0.000 1.115 172 F HN 0.318 8.774 8.300 0.260 0.000 0.507 173 H N 2.375 121.464 119.070 0.032 0.000 2.399 173 H HA 0.100 nan 4.556 nan 0.000 0.300 173 H C -0.652 174.703 175.328 0.046 0.000 1.048 173 H CA 2.148 58.128 56.048 -0.113 0.000 1.370 173 H CB 2.360 31.927 29.762 -0.325 0.000 1.428 173 H HN 0.455 8.767 8.280 0.053 0.000 0.534 174 M N -6.166 113.614 119.600 0.300 0.000 2.918 174 M HA 0.170 nan 4.480 nan 0.000 0.272 174 M C -3.154 173.119 176.300 -0.044 0.000 1.082 174 M CA 0.038 55.484 55.300 0.244 0.000 0.799 174 M CB 2.556 35.312 32.600 0.261 0.000 1.659 174 M HN -0.914 7.570 8.290 0.325 0.000 0.533 175 A N -0.591 122.046 122.820 -0.306 0.000 2.409 175 A HA 0.494 nan 4.320 nan 0.000 0.262 175 A C -1.435 175.958 177.584 -0.319 0.000 1.113 175 A CA -0.247 51.363 52.037 -0.711 0.000 0.790 175 A CB 0.147 18.888 19.000 -0.431 0.000 1.046 175 A HN 0.502 8.598 8.150 -0.090 0.000 0.496 176 A N 3.725 126.385 122.820 -0.267 0.000 2.583 176 A HA 0.440 nan 4.320 nan 0.000 0.298 176 A C -1.772 175.721 177.584 -0.152 0.000 1.055 176 A CA 0.310 52.179 52.037 -0.279 0.000 0.714 176 A CB 2.158 21.041 19.000 -0.196 0.000 1.277 176 A HN 0.334 8.222 8.150 -0.252 0.111 0.406 177 W N -2.379 118.923 121.300 0.002 0.000 2.991 177 W HA 0.396 nan 4.660 nan 0.000 0.391 177 W C -1.273 175.266 176.519 0.033 0.000 1.054 177 W CA -2.273 55.077 57.345 0.009 0.000 1.856 177 W CB 1.323 30.790 29.460 0.012 0.000 1.132 177 W HN 0.928 8.439 8.180 -1.115 0.000 0.601 178 S N -1.230 114.460 115.700 -0.018 0.000 2.542 178 S HA 0.219 nan 4.470 nan 0.000 0.276 178 S C -2.244 172.319 174.600 -0.061 0.000 1.148 178 S CA 0.668 58.889 58.200 0.035 0.000 0.886 178 S CB 1.517 64.733 63.200 0.027 0.000 1.109 178 S HN -0.829 7.270 8.310 -0.236 0.069 0.458 179 G N 1.689 110.494 108.800 0.007 0.000 2.559 179 G HA2 0.443 nan 3.960 nan 0.000 0.291 179 G HA3 0.443 nan 3.960 nan 0.000 0.291 179 G C -3.356 171.492 174.900 -0.087 0.000 1.424 179 G CA 0.119 45.214 45.100 -0.009 0.000 0.786 179 G HN 0.220 8.890 8.290 0.049 -0.350 0.485 180 S N -1.991 113.638 115.700 -0.118 0.000 2.643 180 S HA 0.524 nan 4.470 nan 0.000 0.270 180 S C -2.486 172.040 174.600 -0.123 0.000 1.166 180 S CA -1.731 56.269 58.200 -0.334 0.000 0.815 180 S CB 1.854 64.884 63.200 -0.283 0.000 1.139 180 S HN -0.172 8.113 8.310 -0.042 0.000 0.472 181 A N -1.236 121.489 122.820 -0.158 0.000 2.590 181 A HA 0.754 nan 4.320 nan 0.000 0.294 181 A C -2.288 175.313 177.584 0.028 0.000 1.046 181 A CA 0.033 51.969 52.037 -0.168 0.000 0.684 181 A CB 2.585 21.158 19.000 -0.711 0.000 1.279 181 A HN -0.117 7.888 8.150 -0.241 0.000 0.415 182 c N -2.363 116.321 118.600 0.140 0.000 3.241 182 c HA 0.631 nan 4.570 nan 0.000 0.348 182 c C -2.022 172.098 174.090 0.050 0.000 1.180 182 c CA -1.204 55.234 56.329 0.182 0.000 1.273 182 c CB 3.331 45.894 42.510 0.088 0.000 1.620 182 c HN 0.613 8.891 8.230 0.079 0.000 0.510 183 H N 3.522 122.404 119.070 -0.313 0.000 2.467 183 H HA 0.372 nan 4.556 nan 0.000 0.326 183 H C -0.526 174.658 175.328 -0.240 0.000 1.094 183 H CA 0.130 55.820 56.048 -0.596 0.000 1.253 183 H CB 2.703 31.704 29.762 -1.267 0.000 1.439 183 H HN 0.598 8.843 8.280 -0.058 0.000 0.479 184 D N 3.388 123.617 120.400 -0.285 0.000 2.339 184 D HA -0.012 nan 4.640 nan 0.000 0.217 184 D C 0.487 176.893 176.300 0.176 0.000 1.050 184 D CA -0.845 53.161 54.000 0.010 0.000 0.856 184 D CB 0.799 41.664 40.800 0.108 0.000 0.922 184 D HN -0.296 7.742 8.370 -0.552 0.000 0.518 185 G N -0.811 108.092 108.800 0.172 0.000 2.278 185 G HA2 -0.351 nan 3.960 nan 0.000 0.210 185 G HA3 -0.351 nan 3.960 nan 0.000 0.210 185 G C -0.313 174.676 174.900 0.149 0.000 1.000 185 G CA 0.488 45.719 45.100 0.218 0.000 0.635 185 G HN -0.166 8.127 8.290 0.120 0.069 0.495 186 R N -0.718 119.748 120.500 -0.057 0.000 2.107 186 R HA 0.301 nan 4.340 nan 0.000 0.195 186 R C -0.334 175.802 176.300 -0.274 0.000 1.214 186 R CA 0.454 56.473 56.100 -0.135 0.000 1.129 186 R CB 1.748 31.934 30.300 -0.191 0.000 1.045 186 R HN -0.108 8.289 8.270 -0.081 -0.175 0.489 187 E N -1.809 118.074 120.200 -0.528 0.000 2.431 187 E HA 0.304 nan 4.350 nan 0.000 0.268 187 E C -2.429 173.668 176.600 -0.839 0.000 0.953 187 E CA -2.512 53.537 56.400 -0.585 0.000 0.810 187 E CB 3.394 32.678 29.700 -0.693 0.000 1.369 187 E HN -0.187 8.208 8.360 -0.393 -0.271 0.440 188 W N -2.418 118.553 121.300 -0.549 0.000 2.381 188 W HA 0.334 nan 4.660 nan 0.000 0.329 188 W C -0.592 175.517 176.519 -0.683 0.000 1.157 188 W CA -0.750 56.259 57.345 -0.561 0.000 1.240 188 W CB 2.115 31.226 29.460 -0.582 0.000 1.199 188 W HN 0.073 8.189 8.180 -0.107 0.000 0.579 189 T N 4.473 118.880 114.554 -0.245 0.000 2.791 189 T HA 0.614 nan 4.350 nan 0.000 0.288 189 T C -1.513 173.003 174.700 -0.307 0.000 0.999 189 T CA -0.272 61.741 62.100 -0.144 0.000 0.952 189 T CB 0.770 69.647 68.868 0.014 0.000 0.938 189 T HN 0.569 8.753 8.240 -0.092 0.000 0.444 190 Y N 5.846 126.141 120.300 -0.008 0.000 2.387 190 Y HA 0.751 nan 4.550 nan 0.000 0.336 190 Y C -1.272 174.576 175.900 -0.087 0.000 1.067 190 Y CA -2.192 55.834 58.100 -0.124 0.000 1.114 190 Y CB 2.096 40.424 38.460 -0.220 0.000 1.208 190 Y HN 0.206 8.490 8.280 0.006 0.000 0.458 191 I N 0.650 121.242 120.570 0.036 0.000 2.569 191 I HA 0.696 nan 4.170 nan 0.000 0.296 191 I C -0.570 175.535 176.117 -0.020 0.000 1.028 191 I CA -1.780 59.513 61.300 -0.011 0.000 1.082 191 I CB 2.793 40.751 38.000 -0.069 0.000 1.264 191 I HN 0.502 8.720 8.210 0.013 0.000 0.429 192 G N 3.249 112.019 108.800 -0.051 0.000 2.718 192 G HA2 0.613 nan 3.960 nan 0.000 0.295 192 G HA3 0.613 nan 3.960 nan 0.000 0.295 192 G C -3.101 171.675 174.900 -0.207 0.000 1.421 192 G CA -0.346 44.691 45.100 -0.106 0.000 0.902 192 G HN 0.221 8.483 8.290 -0.046 0.000 0.501 193 V N 1.193 120.876 119.914 -0.386 0.000 2.709 193 V HA 0.858 nan 4.120 nan 0.000 0.308 193 V C -2.079 173.366 176.094 -1.081 0.000 1.062 193 V CA -2.096 59.847 62.300 -0.594 0.000 0.901 193 V CB 2.649 34.108 31.823 -0.606 0.000 1.003 193 V HN 0.317 8.267 8.190 -0.399 0.000 0.425 194 D N 2.802 122.731 120.400 -0.785 0.000 2.692 194 D HA 0.294 nan 4.640 nan 0.000 0.290 194 D C -1.761 174.547 176.300 0.013 0.000 1.281 194 D CA -0.691 52.954 54.000 -0.591 0.000 0.804 194 D CB 3.941 44.533 40.800 -0.346 0.000 1.331 194 D HN 0.334 8.426 8.370 -0.463 0.000 0.432 195 G N -3.651 105.347 108.800 0.331 0.000 2.343 195 G HA2 -0.174 nan 3.960 nan 0.000 0.562 195 G HA3 -0.174 nan 3.960 nan 0.000 0.562 195 G C -2.797 172.294 174.900 0.319 0.000 1.269 195 G CA -0.534 44.717 45.100 0.253 0.000 1.011 195 G HN 0.023 8.657 8.290 0.573 0.000 0.498 196 P HA 0.270 nan 4.420 nan 0.000 0.272 196 P C -0.402 176.985 177.300 0.146 0.000 1.230 196 P CA -0.996 62.187 63.100 0.138 0.000 0.788 196 P CB 0.838 32.600 31.700 0.102 0.000 0.949 197 D N 1.423 121.856 120.400 0.055 0.000 2.117 197 D HA -0.245 nan 4.640 nan 0.000 0.197 197 D C 1.373 177.717 176.300 0.074 0.000 0.987 197 D CA 3.543 57.557 54.000 0.024 0.000 0.829 197 D CB -0.427 40.343 40.800 -0.050 0.000 0.961 197 D HN 0.464 8.845 8.370 0.018 0.000 0.460 198 N N -4.558 114.192 118.700 0.083 0.000 2.521 198 N HA -0.175 nan 4.740 nan 0.000 0.188 198 N C -0.937 174.706 175.510 0.222 0.000 1.146 198 N CA 1.217 54.342 53.050 0.126 0.000 0.893 198 N CB -0.497 38.044 38.487 0.091 0.000 0.975 198 N HN 0.050 8.469 8.380 0.066 0.000 0.451 199 D N -1.863 118.642 120.400 0.174 0.000 3.709 199 D HA 0.044 nan 4.640 nan 0.000 0.246 199 D C -1.854 174.538 176.300 0.153 0.000 1.445 199 D CA 0.167 54.276 54.000 0.181 0.000 0.861 199 D CB 0.354 41.291 40.800 0.230 0.000 1.433 199 D HN -0.640 7.617 8.370 0.149 0.203 0.723 200 A N -0.851 122.059 122.820 0.149 0.000 2.267 200 A HA 0.439 nan 4.320 nan 0.000 0.271 200 A C -2.191 175.432 177.584 0.065 0.000 1.131 200 A CA -0.387 51.756 52.037 0.177 0.000 0.818 200 A CB 1.781 20.970 19.000 0.315 0.000 1.118 200 A HN 0.175 8.396 8.150 0.118 0.000 0.501 201 L N -2.987 118.225 121.223 -0.018 0.000 2.482 201 L HA 0.488 nan 4.340 nan 0.000 0.263 201 L C -1.954 174.842 176.870 -0.122 0.000 0.957 201 L CA -0.417 54.374 54.840 -0.081 0.000 0.836 201 L CB 4.452 46.444 42.059 -0.111 0.000 1.324 201 L HN -0.088 8.110 8.230 -0.054 0.000 0.406 202 V N 6.756 126.626 119.914 -0.074 0.000 2.368 202 V HA 0.224 nan 4.120 nan 0.000 0.266 202 V C -1.195 174.870 176.094 -0.047 0.000 1.045 202 V CA -0.643 61.614 62.300 -0.071 0.000 0.899 202 V CB -0.179 31.625 31.823 -0.031 0.000 1.006 202 V HN 0.778 8.949 8.190 -0.030 0.000 0.470 203 K N 8.157 128.529 120.400 -0.047 0.000 2.211 203 K HA 0.617 nan 4.320 nan 0.000 0.275 203 K C -1.074 175.553 176.600 0.045 0.000 1.024 203 K CA -1.192 55.109 56.287 0.023 0.000 0.887 203 K CB 1.402 33.941 32.500 0.066 0.000 1.084 203 K HN 0.901 8.997 8.250 -0.083 0.104 0.463 204 I N 4.930 125.539 120.570 0.065 0.000 2.404 204 I HA 0.462 nan 4.170 nan 0.000 0.293 204 I C -1.857 174.305 176.117 0.076 0.000 0.992 204 I CA -1.094 60.238 61.300 0.054 0.000 1.149 204 I CB 2.292 40.306 38.000 0.024 0.000 1.315 204 I HN 0.964 9.120 8.210 0.077 0.101 0.446 205 K N 6.705 127.146 120.400 0.070 0.000 2.463 205 K HA 0.484 nan 4.320 nan 0.000 0.255 205 K C -2.050 174.666 176.600 0.194 0.000 0.942 205 K CA -1.417 54.879 56.287 0.015 0.000 0.814 205 K CB 3.746 36.143 32.500 -0.171 0.000 1.122 205 K HN 0.223 8.530 8.250 0.095 0.000 0.425 206 Y N 8.254 128.562 120.300 0.013 0.000 2.518 206 Y HA 0.097 nan 4.550 nan 0.000 0.344 206 Y C -0.045 175.912 175.900 0.094 0.000 0.982 206 Y CA -1.174 56.948 58.100 0.036 0.000 1.234 206 Y CB 0.212 38.685 38.460 0.022 0.000 1.114 206 Y HN 0.529 8.928 8.280 0.198 0.000 0.515 207 G N 10.083 118.856 108.800 -0.044 0.000 2.601 207 G HA2 -0.606 nan 3.960 nan 0.000 0.306 207 G HA3 -0.606 nan 3.960 nan 0.000 0.306 207 G C -0.575 174.436 174.900 0.184 0.000 1.172 207 G CA 1.754 46.903 45.100 0.082 0.000 0.966 207 G HN 0.375 8.634 8.290 -0.052 0.000 0.542 208 E N 4.812 125.060 120.200 0.080 0.000 2.400 208 E HA 0.056 nan 4.350 nan 0.000 0.195 208 E C -0.547 176.064 176.600 0.018 0.000 1.012 208 E CA 0.093 56.524 56.400 0.051 0.000 0.875 208 E CB 0.894 30.632 29.700 0.063 0.000 0.859 208 E HN 0.047 8.438 8.360 0.051 0.000 0.498 209 A N -0.397 122.445 122.820 0.036 0.000 2.324 209 A HA 0.322 nan 4.320 nan 0.000 0.330 209 A C -1.643 175.935 177.584 -0.011 0.000 1.165 209 A CA -0.953 51.125 52.037 0.068 0.000 0.813 209 A CB 1.863 20.942 19.000 0.131 0.000 1.197 209 A HN -0.571 7.619 8.150 0.067 0.000 0.484 210 Y N 1.698 122.063 120.300 0.108 0.000 2.486 210 Y HA -0.063 nan 4.550 nan 0.000 0.348 210 Y C 0.417 176.368 175.900 0.085 0.000 1.000 210 Y CA 0.669 58.825 58.100 0.094 0.000 1.253 210 Y CB -0.165 38.333 38.460 0.064 0.000 1.140 210 Y HN 0.392 8.910 8.280 0.397 0.000 0.526 211 T N 2.094 116.746 114.554 0.163 0.000 3.034 211 T HA 0.062 nan 4.350 nan 0.000 0.248 211 T C -0.741 174.009 174.700 0.082 0.000 1.040 211 T CA -0.129 62.038 62.100 0.112 0.000 1.107 211 T CB 1.659 70.573 68.868 0.077 0.000 0.932 211 T HN 0.400 8.717 8.240 0.129 0.000 0.474 212 D N -0.469 119.981 120.400 0.084 0.000 2.671 212 D HA 0.275 nan 4.640 nan 0.000 0.273 212 D C -2.278 174.054 176.300 0.053 0.000 1.264 212 D CA -0.423 53.611 54.000 0.058 0.000 0.788 212 D CB 2.776 43.598 40.800 0.036 0.000 1.324 212 D HN -0.664 7.768 8.370 0.104 0.000 0.424 213 T N -4.567 110.005 114.554 0.030 0.000 2.812 213 T HA 0.709 nan 4.350 nan 0.000 0.294 213 T C -2.020 172.695 174.700 0.024 0.000 1.159 213 T CA -1.874 60.217 62.100 -0.015 0.000 1.008 213 T CB 2.937 71.737 68.868 -0.114 0.000 1.289 213 T HN -0.003 8.257 8.240 0.033 0.000 0.514 214 Y N -1.027 119.154 120.300 -0.199 0.000 2.442 214 Y HA 0.303 nan 4.550 nan 0.000 0.330 214 Y C -2.093 173.699 175.900 -0.180 0.000 1.100 214 Y CA -0.289 57.737 58.100 -0.123 0.000 1.034 214 Y CB 3.849 42.286 38.460 -0.039 0.000 1.285 214 Y HN 0.291 8.544 8.280 -0.045 0.000 0.440 215 H N 5.820 124.782 119.070 -0.180 0.000 2.499 215 H HA 0.436 nan 4.556 nan 0.000 0.352 215 H C -0.875 174.428 175.328 -0.040 0.000 1.237 215 H CA -0.872 55.126 56.048 -0.085 0.000 1.343 215 H CB 1.734 31.427 29.762 -0.115 0.000 1.578 215 H HN 0.340 8.396 8.280 -0.374 0.000 0.577 216 S N 0.078 115.790 115.700 0.021 0.000 2.481 216 S HA -0.136 nan 4.470 nan 0.000 0.282 216 S C -0.201 174.182 174.600 -0.362 0.000 1.243 216 S CA 0.268 58.315 58.200 -0.255 0.000 1.078 216 S CB 0.361 63.326 63.200 -0.391 0.000 0.916 216 S HN 0.237 8.599 8.310 0.086 0.000 0.495 217 Y N 0.818 121.031 120.300 -0.144 0.000 2.476 217 Y HA 0.123 nan 4.550 nan 0.000 0.283 217 Y C -0.850 175.025 175.900 -0.042 0.000 1.109 217 Y CA -0.580 57.473 58.100 -0.077 0.000 1.246 217 Y CB 0.197 38.674 38.460 0.029 0.000 1.068 217 Y HN -0.401 7.587 8.280 -0.634 -0.087 0.552 218 A N -3.250 119.403 122.820 -0.278 0.000 2.538 218 A HA 0.156 nan 4.320 nan 0.000 0.269 218 A C -0.740 176.829 177.584 -0.025 0.000 1.231 218 A CA -0.705 51.301 52.037 -0.051 0.000 0.948 218 A CB 1.073 20.041 19.000 -0.054 0.000 1.110 218 A HN -0.414 7.610 8.150 -0.738 -0.317 0.529 219 H N -4.557 114.470 119.070 -0.071 0.000 2.684 219 H HA -0.426 nan 4.556 nan 0.000 0.309 219 H C -1.421 173.893 175.328 -0.024 0.000 1.102 219 H CA 1.246 57.276 56.048 -0.030 0.000 1.147 219 H CB -2.332 27.429 29.762 -0.001 0.000 1.391 219 H HN 0.105 8.045 8.280 -0.584 -0.011 0.398 220 N N -1.830 116.861 118.700 -0.015 0.000 2.607 220 N HA 0.121 nan 4.740 nan 0.000 0.271 220 N C -1.802 173.698 175.510 -0.017 0.000 1.142 220 N CA -0.129 52.923 53.050 0.003 0.000 0.810 220 N CB 1.779 40.272 38.487 0.010 0.000 1.306 220 N HN -0.449 8.123 8.380 -0.104 -0.255 0.536 221 I N 3.106 123.689 120.570 0.022 0.000 6.400 221 I HA -0.546 nan 4.170 nan 0.000 0.126 221 I C -1.536 174.644 176.117 0.105 0.000 1.494 221 I CA 0.963 62.312 61.300 0.083 0.000 2.484 221 I CB -1.381 36.638 38.000 0.031 0.000 2.837 221 I HN 0.536 8.766 8.210 0.033 0.000 0.286 222 L N 5.392 126.675 121.223 0.100 0.000 2.490 222 L HA -0.016 nan 4.340 nan 0.000 0.274 222 L C -1.476 175.464 176.870 0.117 0.000 1.201 222 L CA 0.973 55.818 54.840 0.008 0.000 0.869 222 L CB 0.165 42.207 42.059 -0.029 0.000 1.123 222 L HN 0.138 8.443 8.230 0.125 0.000 0.484 223 R N 2.022 122.548 120.500 0.044 0.000 2.752 223 R HA 0.556 nan 4.340 nan 0.000 0.271 223 R C -2.184 174.106 176.300 -0.016 0.000 1.026 223 R CA -1.645 54.495 56.100 0.068 0.000 0.901 223 R CB 2.823 33.226 30.300 0.173 0.000 1.243 223 R HN 0.226 8.490 8.270 -0.011 0.000 0.463 224 T N -2.640 111.899 114.554 -0.026 0.000 2.724 224 T HA 0.551 nan 4.350 nan 0.000 0.274 224 T C 0.879 175.536 174.700 -0.071 0.000 0.984 224 T CA -2.211 59.839 62.100 -0.083 0.000 1.024 224 T CB 2.224 71.015 68.868 -0.127 0.000 1.320 224 T HN 0.255 8.502 8.240 0.011 0.000 0.555 225 Q N 0.967 120.688 119.800 -0.132 0.000 2.029 225 Q HA -0.338 nan 4.340 nan 0.000 0.209 225 Q C 1.225 177.167 176.000 -0.097 0.000 0.999 225 Q CA 3.344 59.069 55.803 -0.130 0.000 0.857 225 Q CB 0.406 29.034 28.738 -0.183 0.000 0.926 225 Q HN 0.483 8.653 8.270 -0.167 0.000 0.415 226 E N -5.979 114.110 120.200 -0.184 0.000 3.828 226 E HA -0.232 nan 4.350 nan 0.000 0.329 226 E C -1.704 174.674 176.600 -0.370 0.000 0.788 226 E CA 1.147 57.478 56.400 -0.114 0.000 1.266 226 E CB -1.931 27.883 29.700 0.190 0.000 1.643 226 E HN -0.065 8.140 8.360 -0.258 0.000 0.409 227 S N -5.738 109.518 115.700 -0.741 0.000 2.656 227 S HA 0.273 nan 4.470 nan 0.000 0.273 227 S C -1.934 172.140 174.600 -0.878 0.000 1.168 227 S CA -2.426 55.270 58.200 -0.840 0.000 0.817 227 S CB 3.485 66.616 63.200 -0.115 0.000 1.146 227 S HN -0.912 6.979 8.310 -0.613 0.051 0.475 228 A N -0.882 121.685 122.820 -0.422 0.000 2.498 228 A HA 0.079 nan 4.320 nan 0.000 0.239 228 A C -0.338 177.199 177.584 -0.077 0.000 1.068 228 A CA 0.145 52.099 52.037 -0.139 0.000 0.766 228 A CB 0.296 19.389 19.000 0.154 0.000 1.003 228 A HN 0.410 8.468 8.150 -0.154 0.000 0.497 229 c N -0.704 117.866 118.600 -0.049 0.000 2.422 229 c HA 0.389 nan 4.570 nan 0.000 0.364 229 c C -0.282 173.845 174.090 0.062 0.000 1.251 229 c CA -2.590 53.734 56.329 -0.008 0.000 2.441 229 c CB 0.206 42.702 42.510 -0.023 0.000 2.393 229 c HN -0.255 7.839 8.230 -0.045 0.109 0.606 230 N N 0.061 118.807 118.700 0.077 0.000 2.372 230 N HA 0.324 nan 4.740 nan 0.000 0.285 230 N C -1.367 174.328 175.510 0.308 0.000 1.008 230 N CA -0.397 52.748 53.050 0.159 0.000 0.880 230 N CB 2.837 41.228 38.487 -0.159 0.000 1.239 230 N HN -0.210 8.212 8.380 0.069 0.000 0.484 231 c N 2.461 121.261 118.600 0.333 0.000 2.355 231 c HA 0.749 nan 4.570 nan 0.000 0.332 231 c C -0.966 173.195 174.090 0.119 0.000 1.255 231 c CA -1.351 55.096 56.329 0.197 0.000 1.792 231 c CB 0.776 43.305 42.510 0.032 0.000 2.300 231 c HN 0.687 9.104 8.230 0.312 0.000 0.515 232 I N 3.251 123.819 120.570 -0.004 0.000 2.500 232 I HA 0.191 nan 4.170 nan 0.000 0.286 232 I C -0.266 175.514 176.117 -0.561 0.000 1.063 232 I CA -1.285 59.792 61.300 -0.371 0.000 1.062 232 I CB 3.010 40.849 38.000 -0.268 0.000 1.223 232 I HN 0.828 8.969 8.210 0.060 0.104 0.435 233 G N 9.240 117.396 108.800 -1.073 0.000 2.258 233 G HA2 -0.445 nan 3.960 nan 0.000 0.274 233 G HA3 -0.445 nan 3.960 nan 0.000 0.274 233 G C -0.374 173.931 174.900 -0.992 0.000 1.021 233 G CA 1.218 45.779 45.100 -0.898 0.000 0.798 233 G HN 0.981 8.441 8.290 -1.383 0.000 0.507 234 G N -3.516 104.670 108.800 -1.022 0.000 2.176 234 G HA2 -0.482 nan 3.960 nan 0.000 0.232 234 G HA3 -0.482 nan 3.960 nan 0.000 0.232 234 G C -1.743 172.663 174.900 -0.822 0.000 0.986 234 G CA -0.305 43.839 45.100 -1.593 0.000 0.643 234 G HN 0.163 8.046 8.290 -0.625 0.032 0.522 235 D N 0.386 120.480 120.400 -0.509 0.000 2.308 235 D HA 0.542 nan 4.640 nan 0.000 0.242 235 D C -1.467 174.667 176.300 -0.278 0.000 1.059 235 D CA -0.631 53.133 54.000 -0.393 0.000 0.830 235 D CB 2.423 43.017 40.800 -0.345 0.000 1.161 235 D HN -0.499 7.431 8.370 -0.458 0.165 0.494 236 c N 2.764 121.176 118.600 -0.313 0.000 2.355 236 c HA 0.795 nan 4.570 nan 0.000 0.332 236 c C -1.070 172.843 174.090 -0.295 0.000 1.255 236 c CA -1.048 55.189 56.329 -0.153 0.000 1.792 236 c CB 1.480 43.934 42.510 -0.094 0.000 2.300 236 c HN 0.905 8.815 8.230 -0.357 0.105 0.515 237 Y N 1.365 121.659 120.300 -0.011 0.000 2.457 237 Y HA 0.733 nan 4.550 nan 0.000 0.333 237 Y C -1.749 174.172 175.900 0.035 0.000 1.119 237 Y CA -1.195 56.919 58.100 0.023 0.000 1.143 237 Y CB 2.703 41.173 38.460 0.017 0.000 1.230 237 Y HN 0.664 9.114 8.280 0.284 0.000 0.469 238 L N 0.232 121.571 121.223 0.193 0.000 2.588 238 L HA 0.448 nan 4.340 nan 0.000 0.263 238 L C -2.320 174.407 176.870 -0.238 0.000 0.935 238 L CA -0.367 54.466 54.840 -0.011 0.000 0.891 238 L CB 4.487 46.488 42.059 -0.098 0.000 1.318 238 L HN 0.205 8.586 8.230 0.251 0.000 0.409 239 M N 6.467 125.738 119.600 -0.550 0.000 2.216 239 M HA 0.658 nan 4.480 nan 0.000 0.356 239 M C -1.674 174.331 176.300 -0.492 0.000 1.205 239 M CA -0.088 54.588 55.300 -1.039 0.000 1.122 239 M CB 1.377 33.249 32.600 -1.214 0.000 1.571 239 M HN 0.176 8.573 8.290 -0.346 -0.314 0.464 240 I N -2.271 118.064 120.570 -0.392 0.000 2.934 240 I HA 0.902 nan 4.170 nan 0.000 0.306 240 I C -2.414 173.663 176.117 -0.068 0.000 1.110 240 I CA -2.100 59.086 61.300 -0.190 0.000 1.019 240 I CB 3.696 41.595 38.000 -0.170 0.000 1.227 240 I HN 0.857 8.794 8.210 -0.454 0.000 0.434 241 T N 2.837 117.389 114.554 -0.004 0.000 2.993 241 T HA 0.409 nan 4.350 nan 0.000 0.312 241 T C -2.840 171.825 174.700 -0.058 0.000 1.115 241 T CA -0.004 62.126 62.100 0.050 0.000 1.027 241 T CB 2.641 71.502 68.868 -0.012 0.000 1.116 241 T HN 0.472 8.692 8.240 -0.032 0.000 0.464 242 D N 6.323 126.627 120.400 -0.161 0.000 2.649 242 D HA 0.866 nan 4.640 nan 0.000 0.249 242 D C -1.859 174.324 176.300 -0.196 0.000 1.112 242 D CA -1.684 52.075 54.000 -0.402 0.000 0.850 242 D CB 3.652 43.740 40.800 -1.186 0.000 1.399 242 D HN -0.184 8.233 8.370 0.079 0.000 0.503 243 G N 2.332 111.054 108.800 -0.130 0.000 2.361 243 G HA2 -0.075 nan 3.960 nan 0.000 0.305 243 G HA3 -0.075 nan 3.960 nan 0.000 0.305 243 G C -2.392 172.483 174.900 -0.041 0.000 1.367 243 G CA -0.064 44.995 45.100 -0.069 0.000 0.951 243 G HN 0.526 8.747 8.290 -0.116 0.000 0.615 244 S N -0.968 114.727 115.700 -0.008 0.000 2.549 244 S HA -0.081 nan 4.470 nan 0.000 0.283 244 S C 1.231 175.872 174.600 0.068 0.000 1.320 244 S CA -1.696 56.518 58.200 0.025 0.000 1.058 244 S CB 0.718 63.940 63.200 0.037 0.000 0.882 244 S HN -0.123 8.188 8.310 0.001 0.000 0.498 245 A N 7.526 130.394 122.820 0.080 0.000 2.015 245 A HA -0.035 nan 4.320 nan 0.000 0.219 245 A C 0.443 178.101 177.584 0.123 0.000 1.163 245 A CA 1.965 54.086 52.037 0.142 0.000 0.646 245 A CB -0.019 19.029 19.000 0.081 0.000 0.806 245 A HN 0.592 8.771 8.150 0.048 0.000 0.448 246 S N -1.651 114.073 115.700 0.039 0.000 2.460 246 S HA 0.178 nan 4.470 nan 0.000 0.211 246 S C -1.116 173.447 174.600 -0.062 0.000 1.312 246 S CA 0.010 58.181 58.200 -0.050 0.000 1.256 246 S CB 0.034 63.208 63.200 -0.044 0.000 1.086 246 S HN -0.570 7.741 8.310 0.038 0.022 0.507 247 G N -0.447 108.336 108.800 -0.028 0.000 2.552 247 G HA2 -0.027 nan 3.960 nan 0.000 0.137 247 G HA3 -0.027 nan 3.960 nan 0.000 0.137 247 G C -2.886 172.133 174.900 0.198 0.000 1.135 247 G CA 0.096 45.214 45.100 0.030 0.000 1.047 247 G HN -0.828 7.463 8.290 0.086 0.051 0.501 248 I N 1.942 122.635 120.570 0.204 0.000 2.371 248 I HA 0.265 nan 4.170 nan 0.000 0.290 248 I C -1.122 174.999 176.117 0.006 0.000 1.028 248 I CA -0.769 60.638 61.300 0.179 0.000 1.345 248 I CB -0.475 37.620 38.000 0.159 0.000 1.407 248 I HN 0.018 8.326 8.210 0.163 0.000 0.501 249 S N 7.442 123.067 115.700 -0.126 0.000 2.383 249 S HA 0.265 nan 4.470 nan 0.000 0.196 249 S C -1.723 172.828 174.600 -0.082 0.000 1.364 249 S CA -0.366 57.703 58.200 -0.218 0.000 1.212 249 S CB 1.010 63.836 63.200 -0.623 0.000 1.171 249 S HN 0.290 8.565 8.310 -0.059 0.000 0.456 250 K N 4.484 124.925 120.400 0.069 0.000 2.258 250 K HA 0.410 nan 4.320 nan 0.000 0.284 250 K C -1.054 175.635 176.600 0.147 0.000 1.051 250 K CA -0.910 55.439 56.287 0.103 0.000 0.923 250 K CB 0.971 33.537 32.500 0.109 0.000 1.046 250 K HN 0.096 8.414 8.250 0.114 0.000 0.474 251 C N 1.804 121.158 119.300 0.091 0.000 2.362 251 C HA 0.737 nan 4.460 nan 0.000 0.363 251 C C -0.421 174.590 174.990 0.034 0.000 1.220 251 C CA -2.940 56.117 59.018 0.065 0.000 2.379 251 C CB 1.501 29.235 27.740 -0.010 0.000 2.351 251 C HN 0.603 8.882 8.230 0.081 0.000 0.582 252 R N -1.714 118.762 120.500 -0.040 0.000 2.808 252 R HA 0.642 nan 4.340 nan 0.000 0.272 252 R C -2.020 174.209 176.300 -0.118 0.000 0.995 252 R CA -1.588 54.493 56.100 -0.032 0.000 0.917 252 R CB 4.777 34.988 30.300 -0.148 0.000 1.217 252 R HN 0.633 8.857 8.270 -0.076 0.000 0.471 253 F N -0.944 118.974 119.950 -0.053 0.000 2.492 253 F HA 0.768 nan 4.527 nan 0.000 0.327 253 F C -1.317 174.441 175.800 -0.069 0.000 1.079 253 F CA -1.208 56.770 58.000 -0.037 0.000 0.967 253 F CB 3.625 42.639 39.000 0.024 0.000 1.169 253 F HN 0.390 8.850 8.300 0.267 0.000 0.472 254 L N 0.198 121.455 121.223 0.058 0.000 2.333 254 L HA 0.530 nan 4.340 nan 0.000 0.280 254 L C -1.626 175.192 176.870 -0.087 0.000 1.004 254 L CA -1.216 53.585 54.840 -0.065 0.000 0.820 254 L CB 2.627 44.559 42.059 -0.212 0.000 1.247 254 L HN 0.880 9.035 8.230 0.071 0.118 0.416 255 K N 5.286 125.586 120.400 -0.166 0.000 2.257 255 K HA 0.339 nan 4.320 nan 0.000 0.270 255 K C -1.113 175.293 176.600 -0.322 0.000 1.098 255 K CA -0.927 55.092 56.287 -0.446 0.000 0.943 255 K CB 0.393 32.633 32.500 -0.434 0.000 1.316 255 K HN 0.641 8.833 8.250 -0.096 0.000 0.447 256 I N 5.345 125.726 120.570 -0.316 0.000 2.577 256 I HA 0.648 nan 4.170 nan 0.000 0.300 256 I C -1.701 174.247 176.117 -0.280 0.000 0.990 256 I CA -1.649 59.511 61.300 -0.234 0.000 1.283 256 I CB 0.768 38.661 38.000 -0.178 0.000 1.411 256 I HN 0.993 8.988 8.210 -0.357 0.000 0.515 257 R N 3.545 123.890 120.500 -0.259 0.000 2.549 257 R HA 0.168 nan 4.340 nan 0.000 0.291 257 R C -1.152 174.942 176.300 -0.343 0.000 1.164 257 R CA -0.076 55.842 56.100 -0.304 0.000 0.973 257 R CB 2.591 32.720 30.300 -0.286 0.000 1.210 257 R HN 0.756 8.780 8.270 -0.223 0.111 0.422 258 E N 6.089 126.002 120.200 -0.480 0.000 2.513 258 E HA -0.397 nan 4.350 nan 0.000 0.257 258 E C -1.044 174.901 176.600 -1.091 0.000 1.098 258 E CA 0.789 56.606 56.400 -0.972 0.000 0.752 258 E CB -0.606 28.800 29.700 -0.490 0.000 1.324 258 E HN 1.106 9.235 8.360 -0.385 0.000 0.403 259 G N -6.237 102.164 108.800 -0.664 0.000 2.299 259 G HA2 -0.494 nan 3.960 nan 0.000 0.237 259 G HA3 -0.494 nan 3.960 nan 0.000 0.237 259 G C -0.585 174.229 174.900 -0.143 0.000 1.027 259 G CA 0.100 45.043 45.100 -0.262 0.000 0.619 259 G HN 0.501 8.481 8.290 -0.494 0.014 0.513 260 R N 1.535 121.928 120.500 -0.178 0.000 2.346 260 R HA 0.377 nan 4.340 nan 0.000 0.311 260 R C -0.532 175.708 176.300 -0.099 0.000 0.983 260 R CA -1.503 54.537 56.100 -0.101 0.000 0.880 260 R CB 1.236 31.485 30.300 -0.084 0.000 1.100 260 R HN -0.613 7.411 8.270 -0.260 0.090 0.453 261 I N 5.657 126.198 120.570 -0.050 0.000 2.618 261 I HA -0.159 nan 4.170 nan 0.000 0.284 261 I C 0.435 176.528 176.117 -0.040 0.000 1.146 261 I CA 2.117 63.392 61.300 -0.042 0.000 1.425 261 I CB 0.155 38.179 38.000 0.039 0.000 1.383 261 I HN -0.014 8.460 8.210 -0.019 -0.276 0.562 262 I N 1.049 121.577 120.570 -0.069 0.000 4.240 262 I HA 0.347 nan 4.170 nan 0.000 0.331 262 I C -1.276 174.819 176.117 -0.037 0.000 1.381 262 I CA -0.793 60.473 61.300 -0.057 0.000 1.136 262 I CB 1.133 39.080 38.000 -0.088 0.000 1.137 262 I HN 0.502 8.651 8.210 -0.103 0.000 0.411 263 K N -0.141 120.243 120.400 -0.027 0.000 2.622 263 K HA 0.082 nan 4.320 nan 0.000 0.263 263 K C -2.634 173.978 176.600 0.020 0.000 0.947 263 K CA 0.240 56.528 56.287 0.001 0.000 0.885 263 K CB 2.938 35.433 32.500 -0.008 0.000 1.362 263 K HN -0.638 7.591 8.250 -0.036 0.000 0.413 264 E N 3.909 124.141 120.200 0.053 0.000 2.214 264 E HA 0.703 nan 4.350 nan 0.000 0.274 264 E C -0.764 175.874 176.600 0.062 0.000 0.977 264 E CA -1.062 55.376 56.400 0.062 0.000 0.827 264 E CB 2.310 32.072 29.700 0.103 0.000 1.130 264 E HN 0.193 8.586 8.360 0.055 0.000 0.394 265 I N 4.334 124.954 120.570 0.083 0.000 2.448 265 I HA 0.142 nan 4.170 nan 0.000 0.281 265 I C -1.729 174.443 176.117 0.092 0.000 1.027 265 I CA -0.807 60.551 61.300 0.097 0.000 1.111 265 I CB 2.462 40.547 38.000 0.143 0.000 1.236 265 I HN 0.747 9.007 8.210 0.083 0.000 0.452 266 L N 8.825 130.076 121.223 0.047 0.000 2.283 266 L HA 0.286 nan 4.340 nan 0.000 0.287 266 L C -1.933 174.967 176.870 0.050 0.000 1.073 266 L CA -2.814 52.043 54.840 0.028 0.000 0.822 266 L CB -0.940 41.117 42.059 -0.003 0.000 1.186 266 L HN 0.421 8.673 8.230 0.038 0.000 0.436 267 P HA 0.153 nan 4.420 nan 0.000 0.271 267 P C -1.387 175.942 177.300 0.049 0.000 1.216 267 P CA -0.298 62.851 63.100 0.082 0.000 0.776 267 P CB 0.701 32.488 31.700 0.145 0.000 0.881 268 T N 4.317 118.893 114.554 0.037 0.000 2.936 268 T HA 0.293 nan 4.350 nan 0.000 0.282 268 T C -0.131 174.566 174.700 -0.004 0.000 1.003 268 T CA -0.857 61.252 62.100 0.015 0.000 1.005 268 T CB 1.367 70.243 68.868 0.014 0.000 1.097 268 T HN 0.529 8.683 8.240 0.044 0.113 0.532 269 G N 2.200 110.979 108.800 -0.036 0.000 2.475 269 G HA2 -0.302 nan 3.960 nan 0.000 0.223 269 G HA3 -0.302 nan 3.960 nan 0.000 0.223 269 G C -1.415 173.443 174.900 -0.069 0.000 1.201 269 G CA -0.183 44.866 45.100 -0.085 0.000 0.962 269 G HN -0.101 8.171 8.290 -0.030 0.000 0.586 270 R N 4.199 124.645 120.500 -0.089 0.000 2.891 270 R HA 0.185 nan 4.340 nan 0.000 0.248 270 R C 0.512 176.815 176.300 0.006 0.000 1.439 270 R CA -0.560 55.508 56.100 -0.055 0.000 1.288 270 R CB -0.721 29.533 30.300 -0.076 0.000 1.212 270 R HN 0.231 8.304 8.270 -0.138 0.114 0.605 271 V N 1.269 121.194 119.914 0.019 0.000 3.421 271 V HA 0.248 nan 4.120 nan 0.000 0.316 271 V C 0.118 176.262 176.094 0.082 0.000 1.347 271 V CA -0.111 62.223 62.300 0.057 0.000 1.183 271 V CB -0.542 31.311 31.823 0.049 0.000 1.092 271 V HN -0.260 7.901 8.190 -0.001 0.028 0.433 272 E N -1.502 118.749 120.200 0.085 0.000 2.265 272 E HA -0.235 nan 4.350 nan 0.000 0.196 272 E C -0.489 176.303 176.600 0.321 0.000 0.996 272 E CA 1.908 58.395 56.400 0.146 0.000 0.832 272 E CB -0.090 29.610 29.700 0.000 0.000 0.756 272 E HN 0.104 8.437 8.360 0.048 0.055 0.491 273 H N -2.544 116.646 119.070 0.199 0.000 3.222 273 H HA 0.215 nan 4.556 nan 0.000 0.315 273 H C -2.326 173.076 175.328 0.122 0.000 1.116 273 H CA 0.019 56.172 56.048 0.176 0.000 1.511 273 H CB 2.163 32.044 29.762 0.199 0.000 2.059 273 H HN -0.572 7.841 8.280 0.266 0.027 0.420 274 T N 8.920 123.588 114.554 0.190 0.000 3.143 274 T HA 0.440 nan 4.350 nan 0.000 0.312 274 T C -2.190 172.576 174.700 0.110 0.000 0.986 274 T CA -0.101 62.108 62.100 0.183 0.000 1.024 274 T CB 1.516 70.466 68.868 0.136 0.000 1.030 274 T HN 0.333 8.566 8.240 -0.012 0.000 0.448 275 E N 2.392 122.680 120.200 0.146 0.000 2.446 275 E HA 0.453 nan 4.350 nan 0.000 0.276 275 E C -1.218 175.414 176.600 0.053 0.000 0.969 275 E CA -2.283 54.166 56.400 0.082 0.000 0.800 275 E CB 3.587 33.367 29.700 0.134 0.000 1.341 275 E HN 0.807 9.173 8.360 0.181 0.102 0.460 276 E N -3.071 117.144 120.200 0.025 0.000 2.183 276 E HA -0.453 nan 4.350 nan 0.000 0.196 276 E C -0.290 176.314 176.600 0.005 0.000 1.364 276 E CA 0.726 57.129 56.400 0.006 0.000 0.700 276 E CB -2.004 27.683 29.700 -0.023 0.000 1.106 276 E HN 0.499 8.875 8.360 0.026 0.000 0.347 277 c N -0.947 117.649 118.600 -0.006 0.000 2.637 277 c HA 0.128 nan 4.570 nan 0.000 0.418 277 c C 0.300 174.427 174.090 0.061 0.000 1.319 277 c CA 0.464 56.814 56.329 0.036 0.000 1.949 277 c CB 0.178 42.714 42.510 0.044 0.000 2.639 277 c HN -0.237 7.965 8.230 -0.047 0.000 0.594 278 T N 6.943 121.575 114.554 0.129 0.000 2.853 278 T HA 0.285 nan 4.350 nan 0.000 0.317 278 T C -1.189 173.653 174.700 0.237 0.000 1.059 278 T CA 0.238 62.450 62.100 0.187 0.000 0.954 278 T CB -0.143 68.881 68.868 0.260 0.000 0.994 278 T HN 0.303 8.625 8.240 0.136 0.000 0.479 279 c N 5.629 124.321 118.600 0.152 0.000 2.470 279 c HA 0.847 nan 4.570 nan 0.000 0.341 279 c C -0.892 173.223 174.090 0.042 0.000 1.190 279 c CA -2.101 54.302 56.329 0.122 0.000 1.904 279 c CB 3.021 45.586 42.510 0.092 0.000 2.354 279 c HN 0.633 8.926 8.230 0.106 0.000 0.509 280 G N -0.753 108.049 108.800 0.002 0.000 2.608 280 G HA2 0.378 nan 3.960 nan 0.000 0.291 280 G HA3 0.378 nan 3.960 nan 0.000 0.291 280 G C -2.967 171.847 174.900 -0.142 0.000 1.425 280 G CA 0.120 45.214 45.100 -0.011 0.000 0.787 280 G HN 0.402 8.715 8.290 0.038 0.000 0.484 281 F N -0.326 119.618 119.950 -0.010 0.000 2.404 281 F HA 0.325 nan 4.527 nan 0.000 0.358 281 F C -0.215 175.389 175.800 -0.327 0.000 1.120 281 F CA -0.789 57.130 58.000 -0.135 0.000 1.144 281 F CB 0.608 39.572 39.000 -0.061 0.000 1.133 281 F HN 0.380 8.832 8.300 0.253 0.000 0.495 282 A N 5.651 128.257 122.820 -0.355 0.000 2.072 282 A HA 0.089 nan 4.320 nan 0.000 0.216 282 A C -0.749 176.758 177.584 -0.128 0.000 1.156 282 A CA 0.901 52.636 52.037 -0.504 0.000 0.701 282 A CB 0.739 19.474 19.000 -0.440 0.000 0.816 282 A HN 0.560 8.556 8.150 -0.257 0.000 0.458 283 S N -2.999 112.695 115.700 -0.010 0.000 2.671 283 S HA 0.073 nan 4.470 nan 0.000 0.270 283 S C -0.993 173.648 174.600 0.068 0.000 1.166 283 S CA -0.740 57.473 58.200 0.021 0.000 0.868 283 S CB 0.376 63.575 63.200 -0.002 0.000 1.190 283 S HN -0.786 7.521 8.310 0.051 0.033 0.494 284 N N -0.775 117.934 118.700 0.015 0.000 2.459 284 N HA -0.107 nan 4.740 nan 0.000 0.181 284 N C -0.032 175.508 175.510 0.050 0.000 1.046 284 N CA 1.710 54.760 53.050 0.001 0.000 0.904 284 N CB -0.214 38.278 38.487 0.008 0.000 0.964 284 N HN 0.296 8.678 8.380 0.003 0.000 0.444 285 K N -1.773 118.650 120.400 0.038 0.000 2.334 285 K HA 0.132 nan 4.320 nan 0.000 0.195 285 K C -1.277 175.316 176.600 -0.012 0.000 1.045 285 K CA 0.465 56.761 56.287 0.015 0.000 1.004 285 K CB 2.026 34.525 32.500 -0.002 0.000 0.837 285 K HN -0.501 7.711 8.250 0.027 0.054 0.510 286 T N 0.044 114.597 114.554 -0.002 0.000 2.971 286 T HA 0.483 nan 4.350 nan 0.000 0.304 286 T C -1.962 172.654 174.700 -0.140 0.000 1.038 286 T CA -0.014 62.031 62.100 -0.091 0.000 1.007 286 T CB 2.932 71.736 68.868 -0.107 0.000 1.055 286 T HN -0.686 7.581 8.240 0.044 0.000 0.451 287 I N 4.472 124.857 120.570 -0.309 0.000 2.498 287 I HA 0.678 nan 4.170 nan 0.000 0.301 287 I C -1.576 174.355 176.117 -0.310 0.000 0.984 287 I CA -0.950 60.079 61.300 -0.451 0.000 1.204 287 I CB 1.854 39.455 38.000 -0.665 0.000 1.362 287 I HN 0.923 8.928 8.210 -0.342 0.000 0.471 288 E N 3.011 123.107 120.200 -0.172 0.000 2.367 288 E HA 0.768 nan 4.350 nan 0.000 0.273 288 E C -1.882 174.723 176.600 0.007 0.000 0.903 288 E CA -1.725 54.594 56.400 -0.135 0.000 0.764 288 E CB 4.598 34.361 29.700 0.105 0.000 1.252 288 E HN 0.635 8.920 8.360 -0.124 0.000 0.446 289 c N -0.820 117.600 118.600 -0.299 0.000 2.994 289 c HA 0.871 nan 4.570 nan 0.000 0.305 289 c C -1.592 172.278 174.090 -0.367 0.000 1.251 289 c CA -1.767 54.511 56.329 -0.084 0.000 1.478 289 c CB 4.119 46.664 42.510 0.058 0.000 1.922 289 c HN 0.674 8.466 8.230 -0.729 0.000 0.472 290 A N 1.031 123.780 122.820 -0.118 0.000 2.291 290 A HA 0.770 nan 4.320 nan 0.000 0.311 290 A C -1.620 175.995 177.584 0.052 0.000 1.224 290 A CA -1.551 50.444 52.037 -0.070 0.000 0.821 290 A CB 1.350 20.289 19.000 -0.101 0.000 1.172 290 A HN 0.174 8.395 8.150 0.118 0.000 0.494 291 c N 3.023 121.663 118.600 0.067 0.000 2.857 291 c HA 0.901 nan 4.570 nan 0.000 0.397 291 c C -1.125 173.003 174.090 0.063 0.000 1.558 291 c CA -2.183 54.189 56.329 0.072 0.000 1.694 291 c CB 4.264 46.829 42.510 0.091 0.000 2.120 291 c HN 0.786 9.065 8.230 0.081 0.000 0.475 292 R N 0.203 120.740 120.500 0.062 0.000 2.589 292 R HA 0.266 nan 4.340 nan 0.000 0.293 292 R C -2.653 173.702 176.300 0.093 0.000 0.963 292 R CA -1.000 55.125 56.100 0.042 0.000 0.905 292 R CB 3.058 33.360 30.300 0.005 0.000 1.144 292 R HN 0.817 9.024 8.270 0.072 0.106 0.459 293 D N 5.002 125.408 120.400 0.009 0.000 2.471 293 D HA 0.177 nan 4.640 nan 0.000 0.245 293 D C -1.001 175.094 176.300 -0.342 0.000 1.116 293 D CA -1.121 52.824 54.000 -0.090 0.000 0.853 293 D CB 1.234 42.037 40.800 0.005 0.000 1.123 293 D HN 0.332 8.691 8.370 -0.017 0.000 0.540 294 N N 5.309 123.530 118.700 -0.798 0.000 2.446 294 N HA -0.037 nan 4.740 nan 0.000 0.179 294 N C 0.530 175.746 175.510 -0.489 0.000 1.054 294 N CA 1.670 54.406 53.050 -0.523 0.000 0.905 294 N CB 1.659 39.988 38.487 -0.262 0.000 0.973 294 N HN -0.192 7.290 8.380 -1.496 0.000 0.448 295 S N 0.057 115.327 115.700 -0.717 0.000 2.807 295 S HA 0.183 nan 4.470 nan 0.000 0.247 295 S C 2.087 176.402 174.600 -0.476 0.000 1.078 295 S CA 2.222 60.067 58.200 -0.592 0.000 0.867 295 S CB 1.410 64.140 63.200 -0.783 0.000 0.797 295 S HN -0.246 7.590 8.310 -1.067 -0.166 0.515 296 Y N -0.496 119.749 120.300 -0.093 0.000 2.420 296 Y HA 0.042 nan 4.550 nan 0.000 0.292 296 Y C -0.078 175.804 175.900 -0.030 0.000 1.119 296 Y CA 1.218 59.291 58.100 -0.044 0.000 1.229 296 Y CB 0.598 39.049 38.460 -0.015 0.000 1.026 296 Y HN -0.485 7.627 8.280 -0.585 -0.183 0.554 297 T N -3.319 111.290 114.554 0.091 0.000 2.853 297 T HA 0.233 nan 4.350 nan 0.000 0.311 297 T C -1.916 172.800 174.700 0.026 0.000 1.307 297 T CA -1.534 60.606 62.100 0.067 0.000 1.019 297 T CB 2.508 71.403 68.868 0.045 0.000 1.264 297 T HN -0.935 7.489 8.240 0.029 -0.167 0.497 298 A N 2.037 124.854 122.820 -0.006 0.000 2.123 298 A HA 0.193 nan 4.320 nan 0.000 0.214 298 A C -0.307 177.208 177.584 -0.116 0.000 1.152 298 A CA 0.960 52.935 52.037 -0.103 0.000 0.728 298 A CB 0.669 19.495 19.000 -0.290 0.000 0.814 298 A HN 0.540 8.692 8.150 0.004 0.000 0.464 299 K N -1.296 119.040 120.400 -0.107 0.000 2.120 299 K HA -0.124 nan 4.320 nan 0.000 0.245 299 K C -1.132 175.469 176.600 0.002 0.000 1.024 299 K CA -0.165 56.097 56.287 -0.041 0.000 0.906 299 K CB 0.725 33.206 32.500 -0.032 0.000 1.051 299 K HN -0.498 7.647 8.250 -0.109 0.040 0.491 300 R N -1.291 119.226 120.500 0.028 0.000 2.387 300 R HA 0.437 nan 4.340 nan 0.000 0.314 300 R C -2.479 173.893 176.300 0.121 0.000 0.958 300 R CA -3.171 52.964 56.100 0.059 0.000 0.846 300 R CB 1.020 31.349 30.300 0.049 0.000 1.147 300 R HN 0.278 8.563 8.270 0.025 0.000 0.447 301 P HA 0.041 nan 4.420 nan 0.000 0.267 301 P C -1.942 175.516 177.300 0.263 0.000 1.205 301 P CA 0.643 63.850 63.100 0.179 0.000 0.765 301 P CB 0.278 32.072 31.700 0.157 0.000 0.828 302 F N 6.055 126.133 119.950 0.214 0.000 2.382 302 F HA 0.427 nan 4.527 nan 0.000 0.361 302 F C -1.714 174.338 175.800 0.420 0.000 1.109 302 F CA -1.610 56.551 58.000 0.269 0.000 1.031 302 F CB 2.429 41.610 39.000 0.301 0.000 1.234 302 F HN 0.639 9.226 8.300 0.479 0.000 0.445 303 V N 8.998 128.851 119.914 -0.101 0.000 2.686 303 V HA 0.290 nan 4.120 nan 0.000 0.295 303 V C -1.153 174.795 176.094 -0.244 0.000 1.057 303 V CA -0.460 61.841 62.300 0.002 0.000 1.012 303 V CB 0.625 32.468 31.823 0.035 0.000 1.006 303 V HN 0.339 8.367 8.190 -0.270 0.000 0.477 304 K N 4.569 124.943 120.400 -0.043 0.000 2.545 304 K HA 0.644 nan 4.320 nan 0.000 0.252 304 K C -2.278 174.211 176.600 -0.185 0.000 0.948 304 K CA -1.009 55.173 56.287 -0.175 0.000 0.827 304 K CB 2.762 35.120 32.500 -0.235 0.000 1.128 304 K HN 0.136 8.481 8.250 0.159 0.000 0.429 305 L N 5.084 126.114 121.223 -0.321 0.000 2.305 305 L HA 0.484 nan 4.340 nan 0.000 0.284 305 L C -2.462 174.222 176.870 -0.310 0.000 1.013 305 L CA -1.364 53.242 54.840 -0.390 0.000 0.819 305 L CB 3.035 44.684 42.059 -0.684 0.000 1.227 305 L HN 0.974 8.885 8.230 -0.344 0.113 0.417 306 N N 6.956 125.530 118.700 -0.210 0.000 2.406 306 N HA 0.151 nan 4.740 nan 0.000 0.251 306 N C 0.663 176.071 175.510 -0.169 0.000 1.069 306 N CA 0.083 53.044 53.050 -0.148 0.000 0.947 306 N CB 0.981 39.423 38.487 -0.074 0.000 1.111 306 N HN 0.408 8.683 8.380 -0.175 0.000 0.497 307 V N 6.521 126.324 119.914 -0.186 0.000 2.970 307 V HA -0.260 nan 4.120 nan 0.000 0.260 307 V C 0.593 176.679 176.094 -0.013 0.000 1.100 307 V CA 2.556 64.756 62.300 -0.166 0.000 1.122 307 V CB -0.731 31.018 31.823 -0.124 0.000 0.721 307 V HN 0.482 8.575 8.190 -0.161 0.000 0.483 308 E N -3.105 117.086 120.200 -0.014 0.000 2.072 308 E HA -0.121 nan 4.350 nan 0.000 0.190 308 E C 1.485 178.094 176.600 0.015 0.000 0.982 308 E CA 2.150 58.556 56.400 0.011 0.000 0.803 308 E CB 0.357 30.059 29.700 0.004 0.000 0.755 308 E HN 0.149 8.679 8.360 -0.036 -0.192 0.453 309 T N -8.375 106.181 114.554 0.003 0.000 3.132 309 T HA 0.256 nan 4.350 nan 0.000 0.274 309 T C -0.317 174.392 174.700 0.014 0.000 1.011 309 T CA -1.156 60.950 62.100 0.010 0.000 0.899 309 T CB 0.949 69.819 68.868 0.004 0.000 1.089 309 T HN -0.473 8.015 8.240 -0.016 -0.257 0.543 310 D N -0.841 119.570 120.400 0.017 0.000 2.692 310 D HA -0.437 nan 4.640 nan 0.000 0.233 310 D C -1.256 175.049 176.300 0.008 0.000 1.172 310 D CA 1.400 55.425 54.000 0.042 0.000 0.636 310 D CB -2.235 38.633 40.800 0.113 0.000 1.028 310 D HN -0.078 8.131 8.370 0.008 0.166 0.419 311 T N -8.567 105.966 114.554 -0.034 0.000 2.887 311 T HA 0.446 nan 4.350 nan 0.000 0.288 311 T C -2.395 172.263 174.700 -0.070 0.000 1.021 311 T CA -2.743 59.342 62.100 -0.026 0.000 1.000 311 T CB 3.659 72.524 68.868 -0.005 0.000 1.034 311 T HN -0.711 7.493 8.240 -0.057 0.002 0.467 312 A N 1.557 124.347 122.820 -0.051 0.000 2.422 312 A HA 0.831 nan 4.320 nan 0.000 0.302 312 A C -2.781 174.824 177.584 0.033 0.000 1.041 312 A CA -0.987 51.005 52.037 -0.075 0.000 0.708 312 A CB 2.858 21.736 19.000 -0.203 0.000 1.257 312 A HN 0.456 8.598 8.150 -0.014 0.000 0.414 313 E N 1.898 122.173 120.200 0.125 0.000 2.343 313 E HA 0.969 nan 4.350 nan 0.000 0.270 313 E C -2.206 174.553 176.600 0.266 0.000 0.895 313 E CA -2.223 54.278 56.400 0.169 0.000 0.767 313 E CB 4.492 34.320 29.700 0.215 0.000 1.248 313 E HN -0.007 8.441 8.360 0.146 0.000 0.440 314 I N 1.377 121.995 120.570 0.080 0.000 2.608 314 I HA 0.646 nan 4.170 nan 0.000 0.295 314 I C -1.578 174.387 176.117 -0.253 0.000 1.049 314 I CA -1.238 60.115 61.300 0.088 0.000 1.063 314 I CB 3.131 41.196 38.000 0.108 0.000 1.248 314 I HN 0.283 8.486 8.210 -0.013 0.000 0.424 315 R N 1.898 122.200 120.500 -0.329 0.000 2.710 315 R HA 0.407 nan 4.340 nan 0.000 0.270 315 R C -2.094 174.129 176.300 -0.129 0.000 1.021 315 R CA -1.519 54.265 56.100 -0.526 0.000 0.889 315 R CB 3.884 33.417 30.300 -1.278 0.000 1.243 315 R HN -0.228 8.086 8.270 0.072 0.000 0.464 316 L N 0.821 121.998 121.223 -0.077 0.000 2.417 316 L HA 0.335 nan 4.340 nan 0.000 0.268 316 L C 0.417 177.341 176.870 0.091 0.000 1.158 316 L CA -0.523 54.343 54.840 0.044 0.000 0.819 316 L CB 0.636 42.699 42.059 0.006 0.000 1.112 316 L HN 0.254 8.399 8.230 -0.141 0.000 0.458 317 M N -0.728 118.938 119.600 0.111 0.000 2.245 317 M HA -0.160 nan 4.480 nan 0.000 0.344 317 M C 0.285 176.588 176.300 0.006 0.000 1.170 317 M CA 1.269 56.589 55.300 0.033 0.000 1.135 317 M CB 0.533 33.098 32.600 -0.060 0.000 1.574 317 M HN -0.198 8.162 8.290 0.116 0.000 0.452 318 c N 3.663 122.252 118.600 -0.018 0.000 2.533 318 c HA 0.038 nan 4.570 nan 0.000 0.272 318 c C 0.611 174.685 174.090 -0.026 0.000 1.371 318 c CA 0.150 56.473 56.329 -0.009 0.000 1.758 318 c CB -0.809 41.696 42.510 -0.010 0.000 1.972 318 c HN 0.506 8.713 8.230 -0.038 0.000 0.522 319 T N 0.952 115.449 114.554 -0.094 0.000 2.939 319 T HA -0.204 nan 4.350 nan 0.000 0.312 319 T C 0.979 175.575 174.700 -0.173 0.000 1.064 319 T CA 1.821 63.827 62.100 -0.157 0.000 1.136 319 T CB 0.398 69.109 68.868 -0.261 0.000 1.035 319 T HN -0.117 8.047 8.240 -0.126 0.000 0.538 320 K N 3.973 124.207 120.400 -0.276 0.000 2.217 320 K HA -0.064 nan 4.320 nan 0.000 0.202 320 K C 1.214 177.202 176.600 -1.019 0.000 1.051 320 K CA 1.722 57.689 56.287 -0.534 0.000 0.952 320 K CB 0.171 32.466 32.500 -0.342 0.000 0.736 320 K HN -0.043 8.072 8.250 -0.225 0.000 0.453 321 T N 3.596 117.763 114.554 -0.645 0.000 3.182 321 T HA -0.005 nan 4.350 nan 0.000 0.274 321 T C -0.707 173.653 174.700 -0.566 0.000 0.997 321 T CA 0.268 61.981 62.100 -0.644 0.000 1.082 321 T CB -1.836 66.673 68.868 -0.598 0.000 1.005 321 T HN -0.758 7.181 8.240 -0.467 0.022 0.688 322 Y N 4.170 124.313 120.300 -0.262 0.000 2.632 322 Y HA -0.196 nan 4.550 nan 0.000 0.329 322 Y C 1.259 177.003 175.900 -0.259 0.000 1.174 322 Y CA -1.329 56.629 58.100 -0.237 0.000 1.469 322 Y CB -0.295 38.040 38.460 -0.209 0.000 1.242 322 Y HN -0.231 7.496 8.280 -1.172 -0.150 0.540 323 L N 3.170 124.336 121.223 -0.095 0.000 2.592 323 L HA 0.022 nan 4.340 nan 0.000 0.227 323 L C -0.303 176.530 176.870 -0.062 0.000 1.127 323 L CA -0.005 54.761 54.840 -0.124 0.000 0.884 323 L CB 0.007 41.978 42.059 -0.147 0.000 1.065 323 L HN 0.176 8.369 8.230 -0.062 0.000 0.457 324 D N -1.005 119.362 120.400 -0.055 0.000 2.478 324 D HA 0.087 nan 4.640 nan 0.000 0.263 324 D C -2.067 174.182 176.300 -0.085 0.000 1.153 324 D CA -0.962 53.003 54.000 -0.059 0.000 1.038 324 D CB 3.079 43.845 40.800 -0.057 0.000 1.120 324 D HN -0.866 7.426 8.370 -0.044 0.052 0.564 325 T N 0.252 114.757 114.554 -0.082 0.000 3.032 325 T HA 0.419 nan 4.350 nan 0.000 0.312 325 T C -2.304 172.355 174.700 -0.068 0.000 1.078 325 T CA -2.941 59.101 62.100 -0.098 0.000 1.028 325 T CB 2.301 71.111 68.868 -0.096 0.000 1.091 325 T HN 0.092 8.291 8.240 -0.067 0.000 0.457 326 P HA 0.302 nan 4.420 nan 0.000 0.274 326 P C -1.945 175.191 177.300 -0.273 0.000 1.256 326 P CA -0.537 62.504 63.100 -0.099 0.000 0.795 326 P CB 1.033 32.776 31.700 0.071 0.000 1.038 327 R N -2.367 117.783 120.500 -0.582 0.000 2.712 327 R HA 0.430 nan 4.340 nan 0.000 0.272 327 R C -3.013 172.643 176.300 -1.074 0.000 1.032 327 R CA -2.077 53.508 56.100 -0.858 0.000 0.874 327 R CB 1.343 31.418 30.300 -0.375 0.000 1.256 327 R HN -0.027 7.927 8.270 -0.526 0.000 0.468 328 P HA 0.269 nan 4.420 nan 0.000 0.328 328 P C -1.501 175.714 177.300 -0.142 0.000 1.288 328 P CA -1.115 61.664 63.100 -0.534 0.000 0.786 328 P CB 0.984 32.509 31.700 -0.292 0.000 1.388 329 D N -1.608 118.774 120.400 -0.029 0.000 2.443 329 D HA -0.115 nan 4.640 nan 0.000 0.239 329 D C 0.250 176.597 176.300 0.078 0.000 1.136 329 D CA 0.011 54.016 54.000 0.009 0.000 0.879 329 D CB 0.489 41.297 40.800 0.013 0.000 1.195 329 D HN -0.006 8.353 8.370 -0.017 0.000 0.443 330 D N 0.685 121.031 120.400 -0.089 0.000 2.506 330 D HA -0.312 nan 4.640 nan 0.000 0.234 330 D C 1.162 177.321 176.300 -0.235 0.000 1.143 330 D CA 1.609 55.382 54.000 -0.378 0.000 0.871 330 D CB 0.065 40.631 40.800 -0.390 0.000 1.190 330 D HN 0.105 8.412 8.370 -0.105 0.000 0.459 331 G N 3.061 111.623 108.800 -0.397 0.000 2.225 331 G HA2 -0.356 nan 3.960 nan 0.000 0.267 331 G HA3 -0.356 nan 3.960 nan 0.000 0.267 331 G C -0.116 174.873 174.900 0.149 0.000 1.024 331 G CA 1.008 46.088 45.100 -0.033 0.000 0.784 331 G HN 0.238 7.689 8.290 -1.259 0.083 0.507 332 S N -1.806 114.074 115.700 0.299 0.000 2.539 332 S HA -0.034 nan 4.470 nan 0.000 0.221 332 S C 0.437 175.113 174.600 0.128 0.000 0.987 332 S CA 0.192 58.495 58.200 0.172 0.000 0.929 332 S CB 1.198 64.478 63.200 0.134 0.000 0.832 332 S HN -0.460 8.160 8.310 0.568 0.030 0.492 333 I N 4.930 125.578 120.570 0.130 0.000 2.281 333 I HA -0.070 nan 4.170 nan 0.000 0.293 333 I C -1.157 174.989 176.117 0.048 0.000 1.085 333 I CA -0.155 61.150 61.300 0.008 0.000 1.257 333 I CB -0.428 37.471 38.000 -0.168 0.000 1.430 333 I HN -0.351 7.992 8.210 0.315 0.055 0.489 334 A N 7.243 130.085 122.820 0.035 0.000 2.401 334 A HA 0.127 nan 4.320 nan 0.000 0.259 334 A C -0.403 177.189 177.584 0.013 0.000 1.103 334 A CA 0.477 52.530 52.037 0.028 0.000 0.789 334 A CB 0.412 19.425 19.000 0.022 0.000 1.035 334 A HN 0.320 8.490 8.150 0.033 0.000 0.491 335 G N 1.485 110.292 108.800 0.012 0.000 2.347 335 G HA2 -0.134 nan 3.960 nan 0.000 0.341 335 G HA3 -0.134 nan 3.960 nan 0.000 0.341 335 G C -2.806 172.095 174.900 0.001 0.000 1.287 335 G CA -0.706 44.395 45.100 0.001 0.000 0.984 335 G HN 0.104 8.404 8.290 0.017 0.000 0.526 336 P HA 0.260 nan 4.420 nan 0.000 0.274 336 P C 1.300 178.594 177.300 -0.009 0.000 1.260 336 P CA -0.787 62.307 63.100 -0.010 0.000 0.793 336 P CB 1.114 32.803 31.700 -0.019 0.000 1.048 337 c N -1.273 117.321 118.600 -0.010 0.000 2.403 337 c HA -0.302 nan 4.570 nan 0.000 0.279 337 c C 1.468 175.544 174.090 -0.023 0.000 1.269 337 c CA 2.730 59.055 56.329 -0.008 0.000 1.774 337 c CB -0.818 41.687 42.510 -0.008 0.000 1.993 337 c HN 0.582 8.806 8.230 -0.010 0.000 0.496 338 E N -0.525 119.651 120.200 -0.039 0.000 2.511 338 E HA -0.199 nan 4.350 nan 0.000 0.196 338 E C -0.674 175.900 176.600 -0.044 0.000 1.066 338 E CA 0.361 56.728 56.400 -0.055 0.000 0.871 338 E CB -1.121 28.536 29.700 -0.071 0.000 0.863 338 E HN 0.076 8.381 8.360 -0.038 0.032 0.520 339 S N 2.274 117.954 115.700 -0.032 0.000 2.481 339 S HA -0.044 nan 4.470 nan 0.000 0.276 339 S C -0.196 174.384 174.600 -0.034 0.000 1.247 339 S CA 0.606 58.787 58.200 -0.031 0.000 1.053 339 S CB -0.019 63.168 63.200 -0.022 0.000 0.925 339 S HN -0.168 7.948 8.310 -0.025 0.179 0.491 340 N N 5.561 124.244 118.700 -0.029 0.000 2.080 340 N HA -0.219 nan 4.740 nan 0.000 0.189 340 N C 0.535 176.032 175.510 -0.021 0.000 1.036 340 N CA 2.136 55.177 53.050 -0.015 0.000 0.846 340 N CB 0.460 38.956 38.487 0.015 0.000 1.015 340 N HN 0.434 8.794 8.380 -0.033 0.000 0.423 341 G N -2.065 106.728 108.800 -0.012 0.000 2.587 341 G HA2 -0.230 nan 3.960 nan 0.000 0.212 341 G HA3 -0.230 nan 3.960 nan 0.000 0.212 341 G C -1.780 173.131 174.900 0.019 0.000 1.327 341 G CA -0.572 44.529 45.100 0.002 0.000 0.898 341 G HN -0.510 7.772 8.290 -0.013 0.000 0.551 342 D N 0.937 121.355 120.400 0.030 0.000 2.382 342 D HA 0.027 nan 4.640 nan 0.000 0.240 342 D C 0.904 177.157 176.300 -0.077 0.000 1.146 342 D CA -0.636 53.290 54.000 -0.122 0.000 0.897 342 D CB 0.755 41.319 40.800 -0.392 0.000 1.197 342 D HN -0.145 8.283 8.370 0.098 0.000 0.432 343 K N 0.590 120.901 120.400 -0.148 0.000 2.009 343 K HA -0.325 nan 4.320 nan 0.000 0.210 343 K C -0.200 176.419 176.600 0.031 0.000 1.049 343 K CA 1.790 58.044 56.287 -0.054 0.000 0.929 343 K CB 0.306 32.752 32.500 -0.091 0.000 0.714 343 K HN 0.272 8.407 8.250 -0.191 0.000 0.440 344 W N -4.361 116.897 121.300 -0.071 0.000 5.721 344 W HA -0.207 nan 4.660 nan 0.000 0.406 344 W C -1.549 174.916 176.519 -0.091 0.000 1.576 344 W CA -0.675 56.623 57.345 -0.078 0.000 0.977 344 W CB -1.893 27.515 29.460 -0.087 0.000 2.771 344 W HN -0.502 7.397 8.180 -0.470 0.000 1.435 345 L N -0.252 120.983 121.223 0.019 0.000 2.737 345 L HA -0.356 nan 4.340 nan 0.000 0.279 345 L C -0.386 176.484 176.870 0.001 0.000 1.200 345 L CA 1.209 56.028 54.840 -0.035 0.000 0.952 345 L CB -0.434 41.585 42.059 -0.067 0.000 1.240 345 L HN -0.578 7.612 8.230 -0.067 0.000 0.486 346 G N 5.239 114.017 108.800 -0.037 0.000 2.371 346 G HA2 -0.175 nan 3.960 nan 0.000 0.663 346 G HA3 -0.175 nan 3.960 nan 0.000 0.663 346 G C -2.622 172.256 174.900 -0.036 0.000 1.311 346 G CA -0.860 44.226 45.100 -0.023 0.000 0.985 346 G HN 0.646 8.883 8.290 -0.088 0.000 0.566 347 G N -2.525 106.258 108.800 -0.027 0.000 2.427 347 G HA2 0.421 nan 3.960 nan 0.000 0.306 347 G HA3 0.421 nan 3.960 nan 0.000 0.306 347 G C -2.616 172.263 174.900 -0.035 0.000 1.280 347 G CA -0.300 44.775 45.100 -0.040 0.000 0.837 347 G HN -0.145 8.139 8.290 -0.011 0.000 0.482 348 I N -0.994 119.533 120.570 -0.071 0.000 2.800 348 I HA 0.157 nan 4.170 nan 0.000 0.294 348 I C -2.835 173.143 176.117 -0.231 0.000 1.538 348 I CA -0.200 61.023 61.300 -0.128 0.000 1.010 348 I CB 3.141 41.110 38.000 -0.052 0.000 1.381 348 I HN -0.129 8.196 8.210 -0.073 -0.158 0.462 349 K N 6.163 126.231 120.400 -0.553 0.000 2.295 349 K HA 0.124 nan 4.320 nan 0.000 0.270 349 K C -1.024 175.511 176.600 -0.109 0.000 1.011 349 K CA 0.513 56.569 56.287 -0.385 0.000 0.953 349 K CB 1.123 33.238 32.500 -0.642 0.000 0.956 349 K HN 0.421 8.025 8.250 -1.075 0.000 0.477 350 G N 1.473 110.287 108.800 0.023 0.000 2.617 350 G HA2 0.373 nan 3.960 nan 0.000 0.306 350 G HA3 0.373 nan 3.960 nan 0.000 0.306 350 G C -1.541 173.473 174.900 0.190 0.000 1.360 350 G CA -1.102 44.063 45.100 0.108 0.000 0.983 350 G HN -0.055 8.252 8.290 0.030 0.000 0.496 351 G N 2.416 111.332 108.800 0.193 0.000 2.483 351 G HA2 0.074 nan 3.960 nan 0.000 0.248 351 G HA3 0.074 nan 3.960 nan 0.000 0.248 351 G C -2.721 172.348 174.900 0.281 0.000 1.248 351 G CA -0.515 44.708 45.100 0.205 0.000 0.838 351 G HN 0.492 8.878 8.290 0.159 0.000 0.566 352 F N 1.946 121.908 119.950 0.021 0.000 2.665 352 F HA 0.606 nan 4.527 nan 0.000 0.308 352 F C -2.639 173.066 175.800 -0.159 0.000 1.112 352 F CA -1.245 56.669 58.000 -0.143 0.000 0.972 352 F CB 3.169 42.107 39.000 -0.102 0.000 1.295 352 F HN -0.195 8.234 8.300 0.215 0.000 0.440 353 V N 3.488 122.823 119.914 -0.964 0.000 3.167 353 V HA 0.381 nan 4.120 nan 0.000 0.293 353 V C -2.687 172.937 176.094 -0.783 0.000 1.379 353 V CA -1.348 60.468 62.300 -0.807 0.000 1.019 353 V CB 4.512 36.174 31.823 -0.268 0.000 1.115 353 V HN 0.435 8.129 8.190 -0.827 0.000 0.442 354 H N 5.377 124.245 119.070 -0.337 0.000 2.467 354 H HA 0.610 nan 4.556 nan 0.000 0.331 354 H C -1.184 174.164 175.328 0.034 0.000 1.120 354 H CA -1.056 54.920 56.048 -0.119 0.000 1.270 354 H CB 1.814 31.516 29.762 -0.101 0.000 1.466 354 H HN 0.470 8.574 8.280 -0.292 0.000 0.504 355 Q N 4.083 124.037 119.800 0.258 0.000 2.788 355 Q HA 0.203 nan 4.340 nan 0.000 0.261 355 Q C -0.879 175.251 176.000 0.218 0.000 1.029 355 Q CA -1.810 54.143 55.803 0.249 0.000 0.848 355 Q CB 0.848 29.841 28.738 0.425 0.000 1.185 355 Q HN 0.985 9.314 8.270 0.264 0.099 0.482 356 R N 4.541 125.139 120.500 0.164 0.000 2.401 356 R HA 0.144 nan 4.340 nan 0.000 0.299 356 R C -0.871 175.500 176.300 0.120 0.000 1.064 356 R CA 0.458 56.634 56.100 0.127 0.000 1.000 356 R CB 0.525 30.876 30.300 0.084 0.000 0.973 356 R HN 0.078 8.437 8.270 0.149 0.000 0.438 357 M N 4.424 124.099 119.600 0.125 0.000 2.777 357 M HA 0.249 nan 4.480 nan 0.000 0.307 357 M C 1.248 177.593 176.300 0.074 0.000 1.228 357 M CA -0.997 54.367 55.300 0.107 0.000 0.871 357 M CB 2.622 35.304 32.600 0.136 0.000 1.721 357 M HN 0.188 8.557 8.290 0.133 0.000 0.487 358 A N 1.293 124.147 122.820 0.056 0.000 1.892 358 A HA -0.147 nan 4.320 nan 0.000 0.218 358 A C -0.042 177.566 177.584 0.038 0.000 1.188 358 A CA 2.894 54.954 52.037 0.039 0.000 0.631 358 A CB -0.832 18.185 19.000 0.029 0.000 0.822 358 A HN 0.479 8.662 8.150 0.057 0.000 0.447 359 S N -5.060 110.667 115.700 0.045 0.000 2.843 359 S HA 0.145 nan 4.470 nan 0.000 0.249 359 S C -1.355 173.279 174.600 0.058 0.000 1.047 359 S CA -0.360 57.865 58.200 0.042 0.000 1.042 359 S CB 0.385 63.603 63.200 0.029 0.000 0.936 359 S HN -0.099 8.242 8.310 0.051 0.000 0.531 360 K N 0.664 121.115 120.400 0.084 0.000 2.579 360 K HA 0.287 nan 4.320 nan 0.000 0.284 360 K C -2.679 174.013 176.600 0.154 0.000 0.990 360 K CA -0.030 56.330 56.287 0.122 0.000 0.880 360 K CB 2.629 35.217 32.500 0.147 0.000 1.488 360 K HN -0.733 7.568 8.250 0.085 0.000 0.425 361 I N 1.665 122.339 120.570 0.172 0.000 2.447 361 I HA 0.442 nan 4.170 nan 0.000 0.287 361 I C -1.894 174.295 176.117 0.120 0.000 1.023 361 I CA -3.026 58.368 61.300 0.156 0.000 1.083 361 I CB 3.433 41.506 38.000 0.121 0.000 1.245 361 I HN 0.326 8.921 8.210 0.177 -0.278 0.434 362 G N 6.922 115.755 108.800 0.055 0.000 2.335 362 G HA2 0.516 nan 3.960 nan 0.000 0.314 362 G HA3 0.516 nan 3.960 nan 0.000 0.314 362 G C -2.218 172.565 174.900 -0.194 0.000 1.129 362 G CA -1.124 43.738 45.100 -0.396 0.000 0.912 362 G HN 0.361 8.644 8.290 0.157 0.102 0.443 363 R N 5.138 125.431 120.500 -0.346 0.000 2.343 363 R HA 0.661 nan 4.340 nan 0.000 0.320 363 R C -1.372 174.672 176.300 -0.427 0.000 0.956 363 R CA -1.336 54.649 56.100 -0.191 0.000 0.836 363 R CB 2.704 33.071 30.300 0.112 0.000 1.151 363 R HN -0.187 7.780 8.270 -0.505 0.000 0.450 364 W N 3.937 124.971 121.300 -0.444 0.000 2.606 364 W HA 0.363 nan 4.660 nan 0.000 0.332 364 W C -1.239 175.074 176.519 -0.344 0.000 1.052 364 W CA -1.032 56.114 57.345 -0.332 0.000 1.223 364 W CB 2.170 31.373 29.460 -0.428 0.000 1.383 364 W HN 0.621 8.724 8.180 -0.129 0.000 0.524 365 Y N -0.923 119.522 120.300 0.242 0.000 2.562 365 Y HA 0.439 nan 4.550 nan 0.000 0.345 365 Y C -1.045 174.967 175.900 0.187 0.000 1.045 365 Y CA -1.523 56.708 58.100 0.218 0.000 1.028 365 Y CB 3.962 42.495 38.460 0.121 0.000 1.297 365 Y HN 0.297 8.845 8.280 0.447 0.000 0.463 366 S N 0.404 116.287 115.700 0.306 0.000 2.621 366 S HA 0.877 nan 4.470 nan 0.000 0.302 366 S C -1.995 172.712 174.600 0.179 0.000 1.093 366 S CA -1.315 57.010 58.200 0.208 0.000 1.017 366 S CB 2.111 65.377 63.200 0.110 0.000 1.077 366 S HN 0.049 8.543 8.310 0.307 0.000 0.517 367 R N -0.312 120.282 120.500 0.156 0.000 2.643 367 R HA 0.526 nan 4.340 nan 0.000 0.269 367 R C -1.345 174.998 176.300 0.072 0.000 1.037 367 R CA -0.971 55.179 56.100 0.084 0.000 0.894 367 R CB 3.695 34.017 30.300 0.037 0.000 1.238 367 R HN 0.023 8.393 8.270 0.167 0.000 0.459 368 T N -1.644 112.927 114.554 0.028 0.000 2.856 368 T HA 0.230 nan 4.350 nan 0.000 0.306 368 T C 0.642 175.352 174.700 0.016 0.000 1.062 368 T CA -0.199 61.910 62.100 0.015 0.000 1.083 368 T CB 0.882 69.737 68.868 -0.023 0.000 0.984 368 T HN 0.500 8.744 8.240 0.006 0.000 0.542 369 M N 1.937 121.544 119.600 0.012 0.000 2.236 369 M HA -0.178 nan 4.480 nan 0.000 0.266 369 M C 0.419 176.715 176.300 -0.006 0.000 1.070 369 M CA 3.025 58.333 55.300 0.012 0.000 1.137 369 M CB 0.584 33.190 32.600 0.010 0.000 1.378 369 M HN 0.012 8.192 8.290 0.011 0.116 0.426 370 S N -1.759 113.929 115.700 -0.019 0.000 2.548 370 S HA -0.024 nan 4.470 nan 0.000 0.277 370 S C 0.609 175.174 174.600 -0.058 0.000 1.315 370 S CA -0.756 57.424 58.200 -0.033 0.000 1.050 370 S CB 0.855 64.036 63.200 -0.032 0.000 0.918 370 S HN -0.494 7.806 8.310 -0.017 0.000 0.497 371 K N 6.602 126.958 120.400 -0.073 0.000 2.148 371 K HA -0.229 nan 4.320 nan 0.000 0.204 371 K C 1.360 177.876 176.600 -0.140 0.000 1.050 371 K CA 3.402 59.614 56.287 -0.125 0.000 0.942 371 K CB -0.030 32.378 32.500 -0.153 0.000 0.724 371 K HN 0.718 8.932 8.250 -0.059 0.000 0.446 372 T N -7.630 106.871 114.554 -0.089 0.000 3.042 372 T HA 0.094 nan 4.350 nan 0.000 0.245 372 T C 0.853 175.517 174.700 -0.060 0.000 1.029 372 T CA 0.048 62.112 62.100 -0.059 0.000 1.120 372 T CB 0.695 69.556 68.868 -0.011 0.000 0.917 372 T HN -0.467 7.709 8.240 -0.067 0.024 0.467 373 N N 1.976 120.638 118.700 -0.065 0.000 2.459 373 N HA 0.186 nan 4.740 nan 0.000 0.288 373 N C 0.068 175.502 175.510 -0.127 0.000 1.186 373 N CA -1.766 51.230 53.050 -0.090 0.000 0.917 373 N CB 1.745 40.201 38.487 -0.052 0.000 1.219 373 N HN -0.093 8.254 8.380 -0.055 0.000 0.525 374 R N 0.906 121.272 120.500 -0.223 0.000 4.609 374 R HA 0.035 nan 4.340 nan 0.000 0.235 374 R C -1.174 175.061 176.300 -0.108 0.000 1.836 374 R CA -0.626 55.297 56.100 -0.295 0.000 1.564 374 R CB -1.640 28.163 30.300 -0.829 0.000 1.382 374 R HN 0.323 8.436 8.270 -0.261 0.000 0.776 375 M N -0.180 119.399 119.600 -0.034 0.000 2.364 375 M HA 0.486 nan 4.480 nan 0.000 0.334 375 M C -0.203 176.109 176.300 0.020 0.000 1.107 375 M CA -1.892 53.422 55.300 0.023 0.000 0.988 375 M CB 1.983 34.593 32.600 0.017 0.000 1.673 375 M HN -0.342 7.835 8.290 -0.054 0.081 0.441 376 G N 2.974 111.795 108.800 0.036 0.000 2.860 376 G HA2 -0.351 nan 3.960 nan 0.000 0.553 376 G HA3 -0.351 nan 3.960 nan 0.000 0.553 376 G C -1.933 172.980 174.900 0.023 0.000 1.439 376 G CA -0.086 45.028 45.100 0.023 0.000 0.879 376 G HN 0.610 8.932 8.290 0.052 0.000 0.545 377 M N 0.760 120.363 119.600 0.004 0.000 2.323 377 M HA 0.250 nan 4.480 nan 0.000 0.278 377 M C -2.881 173.397 176.300 -0.036 0.000 1.069 377 M CA 0.189 55.488 55.300 -0.002 0.000 0.950 377 M CB 3.810 36.406 32.600 -0.008 0.000 1.879 377 M HN 0.273 8.478 8.290 -0.008 0.080 0.491 378 E N 3.635 123.838 120.200 0.005 0.000 2.244 378 E HA 0.831 nan 4.350 nan 0.000 0.266 378 E C -1.804 174.771 176.600 -0.041 0.000 0.914 378 E CA -2.079 54.289 56.400 -0.054 0.000 0.794 378 E CB 3.780 33.456 29.700 -0.040 0.000 1.210 378 E HN 0.691 9.089 8.360 0.064 0.000 0.414 379 L N 0.810 121.922 121.223 -0.186 0.000 2.317 379 L HA 0.661 nan 4.340 nan 0.000 0.281 379 L C -1.958 174.754 176.870 -0.263 0.000 1.024 379 L CA -0.901 53.882 54.840 -0.095 0.000 0.810 379 L CB 2.476 44.483 42.059 -0.087 0.000 1.240 379 L HN 0.605 8.683 8.230 -0.252 0.000 0.427 380 Y N 1.520 121.845 120.300 0.041 0.000 2.602 380 Y HA 0.696 nan 4.550 nan 0.000 0.342 380 Y C -1.719 174.072 175.900 -0.180 0.000 1.029 380 Y CA -1.272 56.807 58.100 -0.035 0.000 1.080 380 Y CB 3.939 42.384 38.460 -0.024 0.000 1.284 380 Y HN 0.579 9.042 8.280 0.305 0.000 0.485 381 V N -0.370 119.443 119.914 -0.168 0.000 3.120 381 V HA 0.603 nan 4.120 nan 0.000 0.303 381 V C -2.704 173.208 176.094 -0.303 0.000 1.238 381 V CA -0.971 60.960 62.300 -0.615 0.000 1.008 381 V CB 4.118 35.175 31.823 -1.278 0.000 1.064 381 V HN 0.497 8.674 8.190 -0.023 0.000 0.434 382 K N 5.472 125.658 120.400 -0.357 0.000 2.690 382 K HA 0.325 nan 4.320 nan 0.000 0.264 382 K C -2.186 174.310 176.600 -0.173 0.000 1.040 382 K CA -0.225 55.984 56.287 -0.129 0.000 0.946 382 K CB 3.129 35.600 32.500 -0.049 0.000 1.268 382 K HN -0.056 7.844 8.250 -0.583 0.000 0.473 383 Y N 1.944 122.191 120.300 -0.089 0.000 2.335 383 Y HA 0.090 nan 4.550 nan 0.000 0.331 383 Y C -0.048 175.845 175.900 -0.011 0.000 1.094 383 Y CA 0.646 58.724 58.100 -0.038 0.000 1.253 383 Y CB 0.270 38.712 38.460 -0.030 0.000 1.203 383 Y HN 0.057 8.543 8.280 0.343 0.000 0.508 384 D N 1.368 121.844 120.400 0.126 0.000 8.589 384 D HA -0.360 nan 4.640 nan 0.000 0.344 384 D C 0.015 176.335 176.300 0.034 0.000 2.817 384 D CA 1.259 55.306 54.000 0.078 0.000 1.929 384 D CB 0.038 40.886 40.800 0.081 0.000 1.170 384 D HN 0.660 8.991 8.370 0.106 0.103 1.202 385 G N -3.648 105.158 108.800 0.010 0.000 2.570 385 G HA2 -0.349 nan 3.960 nan 0.000 0.686 385 G HA3 -0.349 nan 3.960 nan 0.000 0.686 385 G C -2.392 172.475 174.900 -0.056 0.000 1.257 385 G CA -0.558 44.531 45.100 -0.020 0.000 0.846 385 G HN 0.037 8.336 8.290 0.014 0.000 0.627 386 D N 0.247 120.605 120.400 -0.071 0.000 2.392 386 D HA 0.564 nan 4.640 nan 0.000 0.228 386 D C -0.964 175.236 176.300 -0.166 0.000 1.074 386 D CA -4.043 49.886 54.000 -0.118 0.000 0.838 386 D CB 1.018 41.800 40.800 -0.031 0.000 1.067 386 D HN -0.591 8.059 8.370 -0.048 -0.309 0.511 387 P HA -0.113 nan 4.420 nan 0.000 0.219 387 P C 0.861 178.044 177.300 -0.194 0.000 1.146 387 P CA 1.881 64.702 63.100 -0.466 0.000 0.808 387 P CB 0.111 31.111 31.700 -1.167 0.000 0.779 388 W N -5.106 116.015 121.300 -0.298 0.000 2.425 388 W HA -0.071 nan 4.660 nan 0.000 0.277 388 W C 0.424 176.885 176.519 -0.096 0.000 1.231 388 W CA 1.835 59.093 57.345 -0.145 0.000 1.248 388 W CB -0.352 29.070 29.460 -0.063 0.000 1.117 388 W HN -0.308 7.978 8.180 -0.174 -0.210 0.568 389 T N -8.907 105.721 114.554 0.124 0.000 3.058 389 T HA 0.172 nan 4.350 nan 0.000 0.278 389 T C -0.233 174.470 174.700 0.006 0.000 0.974 389 T CA -0.772 61.361 62.100 0.055 0.000 0.893 389 T CB 1.706 70.613 68.868 0.066 0.000 1.138 389 T HN -0.748 7.404 8.240 0.087 0.140 0.529 390 D N 3.874 124.259 120.400 -0.024 0.000 2.339 390 D HA 0.228 nan 4.640 nan 0.000 0.241 390 D C -0.146 176.118 176.300 -0.060 0.000 1.183 390 D CA -0.122 53.851 54.000 -0.045 0.000 0.859 390 D CB 0.084 40.847 40.800 -0.062 0.000 1.067 390 D HN -0.280 8.068 8.370 -0.036 0.000 0.484 391 S N 2.190 117.861 115.700 -0.048 0.000 2.453 391 S HA -0.170 nan 4.470 nan 0.000 0.231 391 S C -0.018 174.531 174.600 -0.085 0.000 1.005 391 S CA 2.042 60.209 58.200 -0.055 0.000 0.949 391 S CB 0.338 63.517 63.200 -0.035 0.000 0.774 391 S HN 0.184 8.473 8.310 -0.035 0.000 0.510 392 D N 1.213 121.566 120.400 -0.080 0.000 2.533 392 D HA -0.144 nan 4.640 nan 0.000 0.236 392 D C -0.162 176.063 176.300 -0.125 0.000 1.137 392 D CA 1.082 55.030 54.000 -0.087 0.000 0.867 392 D CB 0.614 41.376 40.800 -0.064 0.000 1.170 392 D HN -0.308 7.981 8.370 -0.065 0.043 0.474 393 A N 4.105 126.845 122.820 -0.134 0.000 2.483 393 A HA 0.010 nan 4.320 nan 0.000 0.238 393 A C -0.525 176.981 177.584 -0.129 0.000 1.070 393 A CA 0.556 52.490 52.037 -0.172 0.000 0.770 393 A CB 0.551 19.463 19.000 -0.145 0.000 1.008 393 A HN 0.326 8.409 8.150 -0.112 0.000 0.497 394 L N 1.149 122.272 121.223 -0.167 0.000 2.472 394 L HA 0.233 nan 4.340 nan 0.000 0.260 394 L C 0.815 177.737 176.870 0.088 0.000 1.209 394 L CA -0.285 54.512 54.840 -0.073 0.000 0.817 394 L CB 0.345 42.319 42.059 -0.142 0.000 1.106 394 L HN 0.023 8.090 8.230 -0.272 0.000 0.479 395 T N 3.848 118.451 114.554 0.081 0.000 2.749 395 T HA 0.077 nan 4.350 nan 0.000 0.295 395 T C -0.740 173.975 174.700 0.025 0.000 0.936 395 T CA 0.140 62.270 62.100 0.051 0.000 1.060 395 T CB 0.092 68.955 68.868 -0.008 0.000 0.904 395 T HN 0.214 8.469 8.240 0.025 0.000 0.500 396 L N 6.685 127.869 121.223 -0.066 0.000 2.456 396 L HA -0.063 nan 4.340 nan 0.000 0.272 396 L C -0.421 176.294 176.870 -0.258 0.000 1.189 396 L CA 0.707 55.295 54.840 -0.420 0.000 0.846 396 L CB 0.638 42.521 42.059 -0.293 0.000 1.111 396 L HN 0.408 8.644 8.230 0.010 0.000 0.475 397 S N 3.003 118.528 115.700 -0.292 0.000 2.787 397 S HA 0.303 nan 4.470 nan 0.000 0.255 397 S C -1.345 173.236 174.600 -0.032 0.000 1.051 397 S CA -0.113 58.041 58.200 -0.076 0.000 1.124 397 S CB 2.236 65.465 63.200 0.048 0.000 1.104 397 S HN 0.980 8.996 8.310 -0.490 0.000 0.623 398 G N -1.584 107.144 108.800 -0.120 0.000 2.337 398 G HA2 -0.126 nan 3.960 nan 0.000 0.310 398 G HA3 -0.126 nan 3.960 nan 0.000 0.310 398 G C -3.312 171.527 174.900 -0.102 0.000 1.534 398 G CA 0.076 45.142 45.100 -0.056 0.000 0.982 398 G HN -0.973 7.171 8.290 -0.242 0.000 0.672 399 V N 1.900 121.784 119.914 -0.050 0.000 2.333 399 V HA 0.321 nan 4.120 nan 0.000 0.274 399 V C 0.260 176.315 176.094 -0.066 0.000 1.028 399 V CA -0.441 61.825 62.300 -0.058 0.000 0.851 399 V CB -0.125 31.689 31.823 -0.015 0.000 1.000 399 V HN 0.421 8.611 8.190 -0.002 0.000 0.456 400 M N 6.544 126.029 119.600 -0.191 0.000 2.287 400 M HA 0.051 nan 4.480 nan 0.000 0.266 400 M C -0.654 175.578 176.300 -0.113 0.000 1.079 400 M CA 2.959 58.035 55.300 -0.374 0.000 1.146 400 M CB 1.211 33.275 32.600 -0.893 0.000 1.374 400 M HN 0.504 8.678 8.290 -0.193 0.000 0.435 401 V N -4.169 115.700 119.914 -0.075 0.000 2.789 401 V HA 0.401 nan 4.120 nan 0.000 0.311 401 V C -0.857 175.232 176.094 -0.009 0.000 1.073 401 V CA -2.311 59.980 62.300 -0.015 0.000 0.921 401 V CB 2.364 34.190 31.823 0.006 0.000 1.009 401 V HN -0.427 7.708 8.190 -0.092 0.000 0.426 402 S N 3.495 119.194 115.700 -0.002 0.000 2.669 402 S HA 0.470 nan 4.470 nan 0.000 0.270 402 S C 1.472 176.077 174.600 0.009 0.000 1.225 402 S CA -0.811 57.391 58.200 0.003 0.000 0.991 402 S CB 1.887 65.087 63.200 0.001 0.000 0.987 402 S HN 0.528 8.835 8.310 -0.005 0.000 0.552 403 I N -4.089 116.487 120.570 0.010 0.000 3.083 403 I HA -0.121 nan 4.170 nan 0.000 0.273 403 I C 0.720 176.846 176.117 0.016 0.000 1.297 403 I CA 1.839 63.146 61.300 0.012 0.000 1.452 403 I CB -1.059 36.947 38.000 0.009 0.000 1.078 403 I HN 0.461 8.677 8.210 0.008 0.000 0.484 404 E N -0.438 119.770 120.200 0.014 0.000 2.442 404 E HA -0.063 nan 4.350 nan 0.000 0.195 404 E C -0.079 176.534 176.600 0.020 0.000 1.030 404 E CA 1.031 57.440 56.400 0.015 0.000 0.869 404 E CB 0.783 30.489 29.700 0.010 0.000 0.857 404 E HN -0.415 7.884 8.360 0.010 0.067 0.505 405 E N -1.187 119.026 120.200 0.022 0.000 2.221 405 E HA 0.483 nan 4.350 nan 0.000 0.268 405 E C -2.546 174.088 176.600 0.058 0.000 0.933 405 E CA -3.183 53.235 56.400 0.029 0.000 0.809 405 E CB 0.772 30.481 29.700 0.015 0.000 1.190 405 E HN -0.411 7.800 8.360 0.020 0.161 0.406 406 P HA 0.021 nan 4.420 nan 0.000 0.271 406 P C -1.289 176.143 177.300 0.220 0.000 1.220 406 P CA 0.020 63.228 63.100 0.179 0.000 0.768 406 P CB 0.151 31.907 31.700 0.093 0.000 0.848 407 G N 3.327 112.307 108.800 0.299 0.000 2.883 407 G HA2 0.259 nan 3.960 nan 0.000 0.285 407 G HA3 0.259 nan 3.960 nan 0.000 0.285 407 G C -1.971 173.121 174.900 0.320 0.000 1.526 407 G CA -0.300 44.949 45.100 0.247 0.000 1.062 407 G HN 0.350 8.711 8.290 0.292 0.105 0.550 408 W N 3.748 125.115 121.300 0.112 0.000 2.411 408 W HA 0.378 nan 4.660 nan 0.000 0.635 408 W C -0.598 176.127 176.519 0.342 0.000 1.546 408 W CA -1.114 56.356 57.345 0.208 0.000 0.928 408 W CB 1.118 30.670 29.460 0.153 0.000 3.383 408 W HN 0.365 8.860 8.180 0.524 0.000 0.732 409 Y N -1.656 118.913 120.300 0.448 0.000 2.805 409 Y HA -0.263 nan 4.550 nan 0.000 0.337 409 Y C -0.037 176.065 175.900 0.336 0.000 1.252 409 Y CA 0.415 58.728 58.100 0.355 0.000 1.515 409 Y CB -0.359 38.336 38.460 0.391 0.000 1.305 409 Y HN -0.400 8.700 8.280 0.980 -0.232 0.600 410 S N 0.806 116.734 115.700 0.380 0.000 2.599 410 S HA 0.898 nan 4.470 nan 0.000 0.294 410 S C -1.738 173.022 174.600 0.266 0.000 1.094 410 S CA -1.376 56.938 58.200 0.190 0.000 0.931 410 S CB 3.517 66.767 63.200 0.084 0.000 1.093 410 S HN -0.218 8.270 8.310 0.298 0.000 0.488 411 F N -5.074 115.044 119.950 0.279 0.000 2.745 411 F HA 0.510 nan 4.527 nan 0.000 0.316 411 F C -1.883 174.088 175.800 0.285 0.000 1.155 411 F CA -1.130 57.036 58.000 0.276 0.000 0.937 411 F CB 1.781 40.974 39.000 0.321 0.000 1.361 411 F HN 0.783 8.667 8.300 -0.693 0.000 0.472 412 G N -2.917 106.156 108.800 0.454 0.000 2.519 412 G HA2 0.745 nan 3.960 nan 0.000 0.307 412 G HA3 0.745 nan 3.960 nan 0.000 0.307 412 G C -2.462 172.737 174.900 0.499 0.000 1.266 412 G CA -1.169 44.100 45.100 0.282 0.000 0.970 412 G HN -0.082 8.514 8.290 0.510 0.000 0.481 413 F N -3.999 116.094 119.950 0.238 0.000 2.745 413 F HA 0.568 nan 4.527 nan 0.000 0.316 413 F C -3.127 172.756 175.800 0.139 0.000 1.155 413 F CA -2.165 55.971 58.000 0.227 0.000 0.937 413 F CB 2.361 41.553 39.000 0.320 0.000 1.361 413 F HN -0.174 8.033 8.300 -0.154 0.000 0.472 414 E N -1.123 119.263 120.200 0.310 0.000 2.241 414 E HA 0.475 nan 4.350 nan 0.000 0.263 414 E C -1.251 175.476 176.600 0.212 0.000 0.882 414 E CA -1.453 55.020 56.400 0.123 0.000 0.769 414 E CB 2.989 32.751 29.700 0.104 0.000 1.185 414 E HN 0.051 8.691 8.360 0.467 0.000 0.415 415 I N 4.805 125.460 120.570 0.141 0.000 2.529 415 I HA -0.073 nan 4.170 nan 0.000 0.284 415 I C -0.504 175.659 176.117 0.077 0.000 1.082 415 I CA 0.502 61.893 61.300 0.151 0.000 1.406 415 I CB 1.051 39.119 38.000 0.113 0.000 1.405 415 I HN 0.682 8.904 8.210 0.019 0.000 0.548 416 K N 6.309 126.749 120.400 0.068 0.000 2.262 416 K HA 0.248 nan 4.320 nan 0.000 0.282 416 K C -0.923 175.689 176.600 0.020 0.000 1.066 416 K CA -1.197 55.111 56.287 0.036 0.000 0.901 416 K CB -0.202 32.312 32.500 0.023 0.000 1.089 416 K HN 0.178 8.476 8.250 0.079 0.000 0.476 417 D N 4.996 125.403 120.400 0.012 0.000 2.326 417 D HA 0.174 nan 4.640 nan 0.000 0.251 417 D C 1.243 177.545 176.300 0.002 0.000 1.023 417 D CA -2.128 51.875 54.000 0.004 0.000 0.966 417 D CB 2.998 43.795 40.800 -0.004 0.000 1.156 417 D HN 0.310 8.688 8.370 0.012 0.000 0.494 418 K N 2.145 122.544 120.400 -0.001 0.000 2.117 418 K HA -0.349 nan 4.320 nan 0.000 0.215 418 K C 1.410 178.010 176.600 0.000 0.000 1.053 418 K CA 3.202 59.488 56.287 -0.001 0.000 0.935 418 K CB -0.211 32.287 32.500 -0.003 0.000 0.719 418 K HN 0.514 8.763 8.250 -0.002 0.000 0.460 419 K N -5.617 114.783 120.400 0.000 0.000 2.438 419 K HA 0.139 nan 4.320 nan 0.000 0.206 419 K C -1.841 174.762 176.600 0.004 0.000 1.081 419 K CA -0.660 55.628 56.287 0.001 0.000 1.053 419 K CB 1.316 33.816 32.500 -0.001 0.000 0.908 419 K HN 0.120 8.363 8.250 -0.001 0.006 0.556 420 c N -5.134 113.469 118.600 0.005 0.000 3.320 420 c HA 0.529 nan 4.570 nan 0.000 0.335 420 c C -1.895 172.200 174.090 0.008 0.000 1.430 420 c CA -2.833 53.501 56.329 0.008 0.000 1.271 420 c CB 3.074 45.588 42.510 0.007 0.000 1.609 420 c HN -0.887 7.345 8.230 0.003 0.000 0.457 421 D N -0.557 119.851 120.400 0.012 0.000 2.163 421 D HA 0.560 nan 4.640 nan 0.000 0.248 421 D C -0.979 175.310 176.300 -0.018 0.000 1.035 421 D CA -0.872 53.136 54.000 0.012 0.000 0.872 421 D CB 1.748 42.568 40.800 0.033 0.000 1.183 421 D HN -0.184 8.196 8.370 0.017 0.000 0.445 422 V N 1.663 121.551 119.914 -0.044 0.000 2.294 422 V HA 0.437 nan 4.120 nan 0.000 0.272 422 V C -2.059 173.925 176.094 -0.183 0.000 1.027 422 V CA -4.129 58.099 62.300 -0.119 0.000 0.823 422 V CB 0.229 31.979 31.823 -0.121 0.000 1.030 422 V HN 0.675 8.853 8.190 -0.019 0.000 0.457 423 P HA 0.487 nan 4.420 nan 0.000 0.271 423 P C -1.381 175.638 177.300 -0.468 0.000 1.218 423 P CA -0.249 62.700 63.100 -0.253 0.000 0.780 423 P CB 0.626 32.235 31.700 -0.153 0.000 0.901 424 c N -0.351 117.941 118.600 -0.513 0.000 3.291 424 c HA 0.812 nan 4.570 nan 0.000 0.316 424 c C -1.171 172.681 174.090 -0.397 0.000 1.391 424 c CA -0.920 55.022 56.329 -0.646 0.000 1.394 424 c CB 4.757 46.521 42.510 -1.242 0.000 1.744 424 c HN 0.260 8.230 8.230 -0.433 0.000 0.461 425 I N 0.510 120.978 120.570 -0.170 0.000 2.512 425 I HA 0.525 nan 4.170 nan 0.000 0.287 425 I C -1.652 174.416 176.117 -0.080 0.000 1.069 425 I CA -1.150 60.110 61.300 -0.066 0.000 1.056 425 I CB 3.355 41.374 38.000 0.030 0.000 1.229 425 I HN 1.003 9.142 8.210 -0.118 0.000 0.429 426 G N 6.174 114.705 108.800 -0.449 0.000 2.389 426 G HA2 0.763 nan 3.960 nan 0.000 0.328 426 G HA3 0.763 nan 3.960 nan 0.000 0.328 426 G C -2.656 171.811 174.900 -0.722 0.000 1.133 426 G CA -1.951 42.794 45.100 -0.593 0.000 0.891 426 G HN 0.857 8.605 8.290 -0.720 0.110 0.485 427 I N 1.479 121.956 120.570 -0.154 0.000 2.418 427 I HA 0.369 nan 4.170 nan 0.000 0.287 427 I C -1.742 174.490 176.117 0.193 0.000 1.008 427 I CA -0.991 60.324 61.300 0.025 0.000 1.104 427 I CB 3.125 41.160 38.000 0.058 0.000 1.264 427 I HN 0.813 8.922 8.210 0.007 0.106 0.438 428 E N 8.196 128.585 120.200 0.316 0.000 2.180 428 E HA 0.226 nan 4.350 nan 0.000 0.283 428 E C -1.313 175.402 176.600 0.192 0.000 1.061 428 E CA -0.772 55.810 56.400 0.305 0.000 0.861 428 E CB 1.201 31.127 29.700 0.376 0.000 1.056 428 E HN 0.829 9.300 8.360 0.357 0.104 0.407 429 M N 7.423 127.058 119.600 0.059 0.000 2.055 429 M HA 0.221 nan 4.480 nan 0.000 0.346 429 M C -1.337 174.758 176.300 -0.343 0.000 1.074 429 M CA -1.091 54.178 55.300 -0.052 0.000 1.009 429 M CB 0.883 33.457 32.600 -0.042 0.000 1.423 429 M HN 0.658 8.878 8.290 0.069 0.112 0.410 430 V N 4.294 123.863 119.914 -0.576 0.000 2.546 430 V HA 0.136 nan 4.120 nan 0.000 0.284 430 V C -0.107 175.523 176.094 -0.774 0.000 1.050 430 V CA -0.781 60.955 62.300 -0.940 0.000 0.981 430 V CB 0.182 30.873 31.823 -1.887 0.000 0.990 430 V HN 0.410 8.315 8.190 -0.474 0.000 0.474 431 H N 7.023 125.785 119.070 -0.513 0.000 2.652 431 H HA 0.169 nan 4.556 nan 0.000 0.298 431 H C -1.548 173.406 175.328 -0.622 0.000 1.076 431 H CA -0.659 55.125 56.048 -0.439 0.000 1.360 431 H CB 0.770 30.308 29.762 -0.374 0.000 1.421 431 H HN 0.754 8.666 8.280 -0.614 0.000 0.464 432 D N 3.893 124.092 120.400 -0.336 0.000 2.686 432 D HA 0.136 nan 4.640 nan 0.000 0.249 432 D C -1.080 175.125 176.300 -0.157 0.000 1.260 432 D CA -0.399 53.456 54.000 -0.242 0.000 0.910 432 D CB 1.395 42.165 40.800 -0.049 0.000 1.323 432 D HN 0.053 8.296 8.370 -0.212 0.000 0.561 433 G N 5.130 113.798 108.800 -0.219 0.000 4.828 433 G HA2 0.320 nan 3.960 nan 0.000 0.294 433 G HA3 0.320 nan 3.960 nan 0.000 0.294 433 G C -1.090 173.731 174.900 -0.131 0.000 1.288 433 G CA -0.926 44.058 45.100 -0.193 0.000 0.987 433 G HN 0.412 8.547 8.290 -0.259 0.000 0.587 434 G N 0.594 109.362 108.800 -0.055 0.000 2.631 434 G HA2 -0.289 nan 3.960 nan 0.000 0.504 434 G HA3 -0.289 nan 3.960 nan 0.000 0.504 434 G C -2.189 172.689 174.900 -0.036 0.000 1.306 434 G CA -0.531 44.549 45.100 -0.032 0.000 0.897 434 G HN -0.731 7.768 8.290 -0.016 -0.218 0.520 435 K N -0.621 119.760 120.400 -0.031 0.000 2.373 435 K HA 0.142 nan 4.320 nan 0.000 0.202 435 K C -1.141 175.446 176.600 -0.023 0.000 1.025 435 K CA 0.067 56.329 56.287 -0.041 0.000 1.115 435 K CB 0.136 32.614 32.500 -0.038 0.000 0.858 435 K HN 0.170 8.407 8.250 -0.021 0.000 0.525 436 D N -1.280 119.107 120.400 -0.022 0.000 2.615 436 D HA 0.159 nan 4.640 nan 0.000 0.236 436 D C -0.709 175.599 176.300 0.014 0.000 1.233 436 D CA 0.478 54.481 54.000 0.005 0.000 0.829 436 D CB -0.116 40.687 40.800 0.005 0.000 1.024 436 D HN -0.014 8.256 8.370 -0.036 0.078 0.490 437 T N -1.746 112.794 114.554 -0.023 0.000 2.658 437 T HA 0.154 nan 4.350 nan 0.000 0.305 437 T C -1.916 172.663 174.700 -0.201 0.000 1.551 437 T CA -1.213 60.843 62.100 -0.075 0.000 0.985 437 T CB 1.393 70.118 68.868 -0.239 0.000 1.731 437 T HN -0.509 7.627 8.240 -0.041 0.080 0.486 438 W N -0.130 120.868 121.300 -0.503 0.000 2.112 438 W HA 0.089 nan 4.660 nan 0.000 0.349 438 W C -2.043 174.340 176.519 -0.226 0.000 1.289 438 W CA -1.516 55.488 57.345 -0.567 0.000 1.256 438 W CB 0.516 29.308 29.460 -1.113 0.000 1.148 438 W HN 0.043 7.838 8.180 -0.640 0.000 0.590 439 H N 1.886 120.911 119.070 -0.074 0.000 2.840 439 H HA 0.250 nan 4.556 nan 0.000 0.340 439 H C -2.001 173.336 175.328 0.015 0.000 1.004 439 H CA -0.286 55.675 56.048 -0.145 0.000 1.288 439 H CB 2.416 32.093 29.762 -0.142 0.000 1.607 439 H HN -0.103 8.316 8.280 0.232 0.000 0.522 440 S N 4.170 119.786 115.700 -0.140 0.000 2.727 440 S HA 0.361 nan 4.470 nan 0.000 0.278 440 S C -2.719 171.822 174.600 -0.099 0.000 1.186 440 S CA -1.572 56.618 58.200 -0.017 0.000 0.836 440 S CB 2.787 65.969 63.200 -0.031 0.000 1.186 440 S HN -0.140 7.958 8.310 -0.355 0.000 0.499 441 A N -1.665 121.188 122.820 0.055 0.000 2.515 441 A HA 0.863 nan 4.320 nan 0.000 0.296 441 A C -2.544 175.144 177.584 0.173 0.000 1.094 441 A CA -1.725 50.303 52.037 -0.015 0.000 0.718 441 A CB 3.659 22.627 19.000 -0.053 0.000 1.307 441 A HN -0.265 7.990 8.150 0.175 0.000 0.408 442 A N -1.412 121.453 122.820 0.074 0.000 2.350 442 A HA 0.740 nan 4.320 nan 0.000 0.318 442 A C -1.572 176.113 177.584 0.168 0.000 1.132 442 A CA -2.099 50.043 52.037 0.174 0.000 0.811 442 A CB 2.738 21.819 19.000 0.135 0.000 1.313 442 A HN 0.338 8.316 8.150 -0.089 0.119 0.454 443 T N 1.117 115.790 114.554 0.198 0.000 2.864 443 T HA 0.605 nan 4.350 nan 0.000 0.299 443 T C -1.735 173.053 174.700 0.147 0.000 1.011 443 T CA -0.386 61.837 62.100 0.205 0.000 0.975 443 T CB 0.821 69.809 68.868 0.201 0.000 0.962 443 T HN 0.266 8.623 8.240 0.196 0.000 0.448 444 A N 6.965 129.882 122.820 0.161 0.000 2.295 444 A HA 1.123 nan 4.320 nan 0.000 0.318 444 A C -2.279 175.431 177.584 0.210 0.000 1.134 444 A CA -2.456 49.687 52.037 0.176 0.000 0.827 444 A CB 2.252 21.385 19.000 0.221 0.000 1.136 444 A HN 0.922 9.174 8.150 0.169 0.000 0.493 445 I N -0.107 120.586 120.570 0.205 0.000 2.534 445 I HA 0.430 nan 4.170 nan 0.000 0.286 445 I C -2.203 173.989 176.117 0.125 0.000 1.094 445 I CA -0.369 61.067 61.300 0.227 0.000 1.055 445 I CB 3.305 41.445 38.000 0.232 0.000 1.225 445 I HN 0.049 8.333 8.210 0.124 0.000 0.435 446 Y N 5.100 125.413 120.300 0.022 0.000 2.360 446 Y HA 0.569 nan 4.550 nan 0.000 0.337 446 Y C -1.576 174.221 175.900 -0.170 0.000 1.039 446 Y CA -1.663 56.440 58.100 0.005 0.000 1.109 446 Y CB 2.411 40.954 38.460 0.138 0.000 1.201 446 Y HN 0.504 9.037 8.280 0.421 0.000 0.458 447 c N 1.205 119.627 118.600 -0.297 0.000 2.971 447 c HA 0.777 nan 4.570 nan 0.000 0.310 447 c C -1.574 171.875 174.090 -1.069 0.000 1.285 447 c CA -1.474 54.438 56.329 -0.694 0.000 1.593 447 c CB 4.590 46.847 42.510 -0.422 0.000 2.076 447 c HN 0.463 8.546 8.230 -0.244 0.000 0.472 448 L N 1.210 121.606 121.223 -1.378 0.000 2.433 448 L HA 0.249 nan 4.340 nan 0.000 0.275 448 L C -1.551 175.049 176.870 -0.450 0.000 1.128 448 L CA 0.911 55.117 54.840 -1.057 0.000 0.875 448 L CB 0.571 42.149 42.059 -0.802 0.000 1.171 448 L HN -0.224 7.268 8.230 -1.229 0.000 0.463 449 M N 7.824 127.262 119.600 -0.270 0.000 2.224 449 M HA 0.119 nan 4.480 nan 0.000 0.281 449 M C 0.010 176.280 176.300 -0.050 0.000 1.025 449 M CA -0.462 54.756 55.300 -0.138 0.000 0.954 449 M CB 3.254 35.779 32.600 -0.125 0.000 1.639 449 M HN 0.527 8.674 8.290 -0.238 0.000 0.461 450 G N 5.515 114.298 108.800 -0.028 0.000 2.602 450 G HA2 -0.449 nan 3.960 nan 0.000 0.317 450 G HA3 -0.449 nan 3.960 nan 0.000 0.317 450 G C -1.118 173.807 174.900 0.042 0.000 1.327 450 G CA 0.893 45.997 45.100 0.007 0.000 0.971 450 G HN 0.464 8.729 8.290 -0.041 0.000 0.540 451 S N 1.549 117.276 115.700 0.046 0.000 2.745 451 S HA 0.695 nan 4.470 nan 0.000 0.306 451 S C -0.273 174.368 174.600 0.068 0.000 1.137 451 S CA -0.754 57.487 58.200 0.069 0.000 0.900 451 S CB 2.651 65.883 63.200 0.054 0.000 1.176 451 S HN 0.110 8.438 8.310 0.030 0.000 0.520 452 G N 0.752 109.599 108.800 0.077 0.000 2.418 452 G HA2 -0.189 nan 3.960 nan 0.000 0.206 452 G HA3 -0.189 nan 3.960 nan 0.000 0.206 452 G C -1.930 173.028 174.900 0.096 0.000 1.202 452 G CA -0.326 44.815 45.100 0.069 0.000 1.061 452 G HN -0.015 8.327 8.290 0.086 0.000 0.563 453 Q N 0.327 120.181 119.800 0.089 0.000 2.359 453 Q HA 0.325 nan 4.340 nan 0.000 0.275 453 Q C -0.926 175.149 176.000 0.126 0.000 1.082 453 Q CA -1.356 54.511 55.803 0.107 0.000 0.849 453 Q CB 2.781 31.566 28.738 0.077 0.000 1.377 453 Q HN 0.023 8.335 8.270 0.070 0.000 0.452 454 L N 1.508 122.826 121.223 0.158 0.000 2.490 454 L HA -0.123 nan 4.340 nan 0.000 0.274 454 L C -0.538 176.433 176.870 0.169 0.000 1.201 454 L CA 1.230 56.188 54.840 0.196 0.000 0.869 454 L CB 0.528 42.719 42.059 0.220 0.000 1.123 454 L HN 0.225 8.549 8.230 0.155 0.000 0.484 455 L N 4.191 125.523 121.223 0.181 0.000 2.388 455 L HA 0.104 nan 4.340 nan 0.000 0.209 455 L C -0.320 176.731 176.870 0.301 0.000 1.061 455 L CA 0.413 55.346 54.840 0.155 0.000 0.834 455 L CB 0.379 42.465 42.059 0.045 0.000 1.029 455 L HN -0.054 8.294 8.230 0.196 0.000 0.473 456 W N -2.361 119.005 121.300 0.111 0.000 2.936 456 W HA 0.147 nan 4.660 nan 0.000 0.338 456 W C -1.875 174.759 176.519 0.191 0.000 1.121 456 W CA -2.172 55.238 57.345 0.109 0.000 1.209 456 W CB 2.855 32.352 29.460 0.063 0.000 1.420 456 W HN -0.607 7.813 8.180 0.400 0.000 0.516 457 D N -0.251 120.232 120.400 0.139 0.000 2.437 457 D HA 0.362 nan 4.640 nan 0.000 0.259 457 D C -1.001 175.274 176.300 -0.041 0.000 1.118 457 D CA -1.218 52.833 54.000 0.085 0.000 1.017 457 D CB 1.849 42.650 40.800 0.002 0.000 1.120 457 D HN -0.116 8.236 8.370 -0.031 0.000 0.541 458 T N -0.255 114.330 114.554 0.052 0.000 2.823 458 T HA 0.424 nan 4.350 nan 0.000 0.279 458 T C -1.276 173.401 174.700 -0.038 0.000 0.998 458 T CA -0.164 61.943 62.100 0.012 0.000 0.994 458 T CB 1.344 70.304 68.868 0.154 0.000 0.960 458 T HN 0.182 8.480 8.240 0.096 0.000 0.448 459 V N -0.573 119.297 119.914 -0.074 0.000 3.046 459 V HA 0.793 nan 4.120 nan 0.000 0.316 459 V C -0.636 175.449 176.094 -0.015 0.000 1.104 459 V CA -2.511 59.757 62.300 -0.052 0.000 1.006 459 V CB 2.565 34.336 31.823 -0.087 0.000 1.058 459 V HN 0.070 8.199 8.190 -0.101 0.000 0.440 460 T N -3.350 111.214 114.554 0.017 0.000 3.031 460 T HA 0.193 nan 4.350 nan 0.000 0.254 460 T C 1.435 176.168 174.700 0.057 0.000 1.060 460 T CA 1.262 63.401 62.100 0.066 0.000 1.135 460 T CB 1.379 70.328 68.868 0.134 0.000 0.896 460 T HN 0.462 8.956 8.240 0.016 -0.244 0.472 461 G N 1.892 110.710 108.800 0.031 0.000 2.234 461 G HA2 -0.362 nan 3.960 nan 0.000 0.260 461 G HA3 -0.362 nan 3.960 nan 0.000 0.260 461 G C -0.346 174.559 174.900 0.009 0.000 0.987 461 G CA 0.747 45.846 45.100 -0.001 0.000 0.625 461 G HN 0.286 8.593 8.290 0.028 0.000 0.532 462 V N 1.950 121.905 119.914 0.069 0.000 2.508 462 V HA -0.091 nan 4.120 nan 0.000 0.281 462 V C -0.536 175.593 176.094 0.057 0.000 1.041 462 V CA 0.680 63.011 62.300 0.052 0.000 1.016 462 V CB -0.250 31.601 31.823 0.047 0.000 0.984 462 V HN -0.650 7.519 8.190 0.135 0.102 0.478 463 D N 5.501 125.924 120.400 0.037 0.000 2.303 463 D HA 0.107 nan 4.640 nan 0.000 0.236 463 D C 0.297 176.645 176.300 0.080 0.000 1.068 463 D CA -0.977 53.049 54.000 0.043 0.000 0.830 463 D CB 1.678 42.495 40.800 0.029 0.000 1.109 463 D HN 0.079 8.461 8.370 0.020 0.000 0.496 464 M N 4.412 124.042 119.600 0.050 0.000 2.557 464 M HA -0.159 nan 4.480 nan 0.000 0.259 464 M C 0.319 176.691 176.300 0.121 0.000 1.086 464 M CA 1.638 56.978 55.300 0.067 0.000 1.096 464 M CB 0.093 32.550 32.600 -0.239 0.000 1.424 464 M HN 0.561 8.858 8.290 0.012 0.000 0.488 465 A N -2.052 120.814 122.820 0.078 0.000 2.307 465 A HA 0.068 nan 4.320 nan 0.000 0.218 465 A C -0.320 177.324 177.584 0.100 0.000 1.228 465 A CA 0.011 52.096 52.037 0.080 0.000 0.857 465 A CB -0.131 18.893 19.000 0.041 0.000 0.897 465 A HN -0.101 8.410 8.150 0.052 -0.330 0.495 466 L N 0.000 121.293 121.223 0.117 0.000 2.949 466 L HA 0.000 nan 4.340 nan 0.000 0.249 466 L CA 0.000 54.891 54.840 0.084 0.000 0.813 466 L CB 0.000 42.089 42.059 0.050 0.000 0.961 466 L HN 0.000 8.241 8.230 0.144 0.075 0.502