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 3cl0_1_A DATA FIRST_RESID 83 DATA SEQUENCE VKLAGNSSLc PINGWAVYSK DNSIRIGSKG DVFVIREPFI ScSHLEcRTF DATA SEQUENCE FLTQGALLND KHSNGTVKDR SPHRTLMSCP VGEAPSYNSR FESVAWSASA DATA SEQUENCE cHDGTSWLTI GISGPDNGAV AVLKYNGIIT DTIKSWRNNI LRTQESEcAc DATA SEQUENCE VNGScFTVMT DGPSNGQASY KIFKMEKGKV VKSVELDAPN YYYEEcScYP DATA SEQUENCE NAGEITcVcR DNWHGSNRPW VSFNXQNLEY QIGYIcSGVF GDNPRPNDGT DATA SEQUENCE GXScXXGPVS XSGAYGVKGF SFKYGNGVWI GRTKSTNSRS GFEMIWDPNG DATA SEQUENCE WTETDSSFSV XKQDIVAITD WSGYSGSFVL TGLDcIRPcF WVELIRGRPK DATA SEQUENCE EXSTIWTSGS SISFcGVNSD TVGWSWPDGA ELPFTI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 83 V HA 0.000 nan 4.120 nan 0.000 0.244 83 V C 0.000 176.033 176.094 -0.102 0.000 1.182 83 V CA 0.000 62.259 62.300 -0.068 0.000 1.235 83 V CB 0.000 31.801 31.823 -0.037 0.000 1.184 84 K N 2.163 122.530 120.400 -0.055 0.000 2.295 84 K HA 0.429 4.751 4.320 0.004 0.000 0.270 84 K C -0.491 176.095 176.600 -0.025 0.000 1.011 84 K CA -0.564 55.700 56.287 -0.039 0.000 0.953 84 K CB 0.694 33.188 32.500 -0.010 0.000 0.956 84 K HN 0.414 nan 8.250 nan 0.000 0.477 85 L N 2.503 123.722 121.223 -0.006 0.000 2.534 85 L HA -0.044 4.298 4.340 0.004 0.000 0.271 85 L C 1.504 178.396 176.870 0.037 0.000 1.178 85 L CA 0.619 55.473 54.840 0.024 0.000 0.907 85 L CB 0.082 42.173 42.059 0.053 0.000 1.164 85 L HN 0.829 nan 8.230 nan 0.000 0.482 86 A N 3.726 126.566 122.820 0.032 0.000 1.855 86 A HA 0.182 4.504 4.320 0.004 0.000 0.215 86 A C 1.692 179.303 177.584 0.045 0.000 1.191 86 A CA 1.120 53.177 52.037 0.033 0.000 0.613 86 A CB -0.969 18.044 19.000 0.022 0.000 0.829 86 A HN 1.244 nan 8.150 nan 0.000 0.442 87 G N -0.127 108.700 108.800 0.046 0.000 2.179 87 G HA2 -0.381 3.581 3.960 0.004 0.000 0.257 87 G HA3 -0.381 3.581 3.960 0.004 0.000 0.257 87 G C 0.394 175.308 174.900 0.024 0.000 1.010 87 G CA 1.060 46.189 45.100 0.048 0.000 0.736 87 G HN 1.067 nan 8.290 nan 0.000 0.513 88 N N -0.737 117.973 118.700 0.017 0.000 2.373 88 N HA 0.201 4.944 4.740 0.004 0.000 0.181 88 N C 1.250 176.757 175.510 -0.005 0.000 1.082 88 N CA 0.561 53.614 53.050 0.004 0.000 0.885 88 N CB 0.182 38.673 38.487 0.007 0.000 0.977 88 N HN 0.632 nan 8.380 nan 0.000 0.462 89 S N -0.409 115.289 115.700 -0.003 0.000 2.693 89 S HA 0.441 4.913 4.470 0.004 0.000 0.276 89 S C 0.038 174.626 174.600 -0.020 0.000 1.192 89 S CA -0.823 57.370 58.200 -0.011 0.000 0.994 89 S CB 1.729 64.923 63.200 -0.009 0.000 1.012 89 S HN 0.064 nan 8.310 nan 0.000 0.550 90 S N 0.283 115.965 115.700 -0.031 0.000 2.669 90 S HA 0.439 4.911 4.470 0.004 0.000 0.270 90 S C 0.045 174.607 174.600 -0.063 0.000 1.225 90 S CA -0.780 57.390 58.200 -0.049 0.000 0.991 90 S CB 0.076 63.245 63.200 -0.050 0.000 0.987 90 S HN 0.608 nan 8.310 nan 0.000 0.552 91 L N 1.672 122.828 121.223 -0.112 0.000 2.455 91 L HA 0.119 4.462 4.340 0.004 0.000 0.272 91 L C 0.123 176.961 176.870 -0.053 0.000 1.174 91 L CA -0.591 54.160 54.840 -0.149 0.000 0.869 91 L CB -0.168 41.669 42.059 -0.370 0.000 1.130 91 L HN 0.662 nan 8.230 nan 0.000 0.474 92 c N 4.551 123.118 118.600 -0.055 0.000 2.634 92 c HA 0.093 4.665 4.570 0.004 0.000 0.417 92 c C -1.522 172.579 174.090 0.018 0.000 1.334 92 c CA -1.080 55.222 56.329 -0.045 0.000 1.829 92 c CB -0.860 41.582 42.510 -0.114 0.000 2.665 92 c HN 0.527 nan 8.230 nan 0.000 0.614 93 P HA 0.370 nan 4.420 nan 0.000 0.271 93 P C -0.616 176.544 177.300 -0.234 0.000 1.216 93 P CA 0.464 63.507 63.100 -0.096 0.000 0.771 93 P CB 0.374 32.022 31.700 -0.086 0.000 0.864 94 I N -0.829 119.507 120.570 -0.391 0.000 2.969 94 I HA 0.509 4.681 4.170 0.004 0.000 0.307 94 I C 0.201 176.061 176.117 -0.429 0.000 1.149 94 I CA -0.968 60.047 61.300 -0.475 0.000 1.008 94 I CB 2.292 39.845 38.000 -0.745 0.000 1.232 94 I HN -0.028 nan 8.210 nan 0.000 0.435 95 N N 1.753 120.235 118.700 -0.364 0.000 2.332 95 N HA 0.387 5.129 4.740 0.004 0.000 0.190 95 N C 0.306 175.730 175.510 -0.142 0.000 1.117 95 N CA 0.536 53.461 53.050 -0.210 0.000 0.883 95 N CB 1.754 40.157 38.487 -0.139 0.000 1.089 95 N HN 0.960 nan 8.380 nan 0.000 0.480 96 G N -0.363 108.169 108.800 -0.447 0.000 2.427 96 G HA2 0.423 4.385 3.960 0.004 0.000 0.306 96 G HA3 0.423 4.385 3.960 0.004 0.000 0.306 96 G C -2.228 172.172 174.900 -0.834 0.000 1.280 96 G CA -0.854 43.964 45.100 -0.470 0.000 0.837 96 G HN 0.064 nan 8.290 nan 0.000 0.482 97 W N 0.435 121.698 121.300 -0.061 0.000 2.619 97 W HA 0.715 5.377 4.660 0.003 0.000 0.327 97 W C 0.167 176.781 176.519 0.159 0.000 1.027 97 W CA -0.600 56.761 57.345 0.026 0.000 1.233 97 W CB 2.218 31.751 29.460 0.122 0.000 1.370 97 W HN 0.772 nan 8.180 nan 0.000 0.453 98 A N 2.743 125.727 122.820 0.272 0.000 2.301 98 A HA 0.710 5.032 4.320 0.004 0.000 0.312 98 A C -0.208 177.471 177.584 0.158 0.000 1.182 98 A CA -0.722 51.438 52.037 0.205 0.000 0.826 98 A CB 0.398 19.448 19.000 0.082 0.000 1.134 98 A HN 0.537 nan 8.150 nan 0.000 0.501 99 V N 2.088 121.976 119.914 -0.043 0.000 2.694 99 V HA -0.040 4.082 4.120 0.004 0.000 0.306 99 V C 0.755 176.656 176.094 -0.322 0.000 1.054 99 V CA 0.705 62.628 62.300 -0.629 0.000 1.161 99 V CB -0.429 30.865 31.823 -0.880 0.000 0.916 99 V HN 0.983 nan 8.190 nan 0.000 0.490 100 Y N 2.851 122.812 120.300 -0.565 0.000 2.673 100 Y HA 0.312 4.864 4.550 0.003 0.000 0.278 100 Y C 1.213 176.970 175.900 -0.238 0.000 1.127 100 Y CA 0.627 58.564 58.100 -0.272 0.000 1.261 100 Y CB 0.703 39.087 38.460 -0.127 0.000 1.412 100 Y HN 0.815 nan 8.280 nan 0.000 0.496 101 S N 0.171 115.676 115.700 -0.325 0.000 2.579 101 S HA 0.570 5.042 4.470 0.004 0.000 0.272 101 S C -1.432 173.017 174.600 -0.251 0.000 1.141 101 S CA -0.948 57.067 58.200 -0.307 0.000 0.843 101 S CB 2.760 65.800 63.200 -0.267 0.000 1.122 101 S HN 0.186 nan 8.310 nan 0.000 0.468 102 K N 0.841 121.141 120.400 -0.167 0.000 2.619 102 K HA 0.297 4.619 4.320 0.004 0.000 0.251 102 K C -0.796 175.771 176.600 -0.055 0.000 0.987 102 K CA -0.420 55.817 56.287 -0.084 0.000 0.844 102 K CB 1.253 33.730 32.500 -0.038 0.000 1.237 102 K HN 0.760 nan 8.250 nan 0.000 0.447 103 D N 2.879 123.254 120.400 -0.043 0.000 2.305 103 D HA -0.070 4.572 4.640 0.004 0.000 0.206 103 D C -0.138 176.145 176.300 -0.028 0.000 0.974 103 D CA 0.419 54.387 54.000 -0.054 0.000 0.871 103 D CB -0.271 40.480 40.800 -0.082 0.000 0.947 103 D HN 0.789 nan 8.370 nan 0.000 0.516 104 N N -0.830 117.875 118.700 0.009 0.000 2.693 104 N HA -0.234 4.508 4.740 0.004 0.000 0.249 104 N C 0.488 176.010 175.510 0.019 0.000 1.119 104 N CA 0.592 53.661 53.050 0.032 0.000 0.717 104 N CB -1.165 37.340 38.487 0.031 0.000 1.071 104 N HN 0.054 nan 8.380 nan 0.000 0.555 105 S N -0.067 115.631 115.700 -0.004 0.000 2.359 105 S HA -0.127 4.345 4.470 0.004 0.000 0.224 105 S C 1.753 176.354 174.600 0.001 0.000 1.035 105 S CA 1.316 59.495 58.200 -0.035 0.000 1.018 105 S CB 0.003 63.155 63.200 -0.080 0.000 0.876 105 S HN 0.376 nan 8.310 nan 0.000 0.448 106 I N 0.808 121.412 120.570 0.056 0.000 2.353 106 I HA -0.122 4.050 4.170 0.004 0.000 0.248 106 I C 2.637 178.886 176.117 0.220 0.000 1.119 106 I CA 0.916 62.291 61.300 0.125 0.000 1.417 106 I CB -0.262 37.832 38.000 0.156 0.000 1.078 106 I HN 0.141 nan 8.210 nan 0.000 0.421 107 R N 0.815 121.413 120.500 0.163 0.000 2.083 107 R HA -0.148 4.194 4.340 0.004 0.000 0.237 107 R C 2.312 178.640 176.300 0.047 0.000 1.137 107 R CA 1.599 57.776 56.100 0.129 0.000 0.951 107 R CB -0.369 29.987 30.300 0.094 0.000 0.851 107 R HN 0.319 nan 8.270 nan 0.000 0.434 108 I N -0.447 120.135 120.570 0.019 0.000 2.315 108 I HA -0.132 4.041 4.170 0.004 0.000 0.248 108 I C 2.337 178.422 176.117 -0.054 0.000 1.117 108 I CA 1.310 62.595 61.300 -0.025 0.000 1.404 108 I CB -0.432 37.548 38.000 -0.033 0.000 1.071 108 I HN 0.308 nan 8.210 nan 0.000 0.419 109 G N -0.455 108.324 108.800 -0.036 0.000 2.625 109 G HA2 -0.221 3.741 3.960 0.004 0.000 0.214 109 G HA3 -0.221 3.741 3.960 0.004 0.000 0.214 109 G C 1.680 176.522 174.900 -0.097 0.000 1.132 109 G CA 0.861 45.923 45.100 -0.063 0.000 0.782 109 G HN 0.386 nan 8.290 nan 0.000 0.538 110 S N -0.448 115.139 115.700 -0.189 0.000 2.399 110 S HA -0.059 4.413 4.470 0.004 0.000 0.231 110 S C 2.061 176.453 174.600 -0.346 0.000 1.022 110 S CA 1.945 59.804 58.200 -0.568 0.000 0.983 110 S CB -0.120 62.696 63.200 -0.641 0.000 0.803 110 S HN 0.505 nan 8.310 nan 0.000 0.480 111 K N -0.717 119.562 120.400 -0.201 0.000 2.424 111 K HA 0.240 4.562 4.320 0.004 0.000 0.200 111 K C 1.016 177.555 176.600 -0.102 0.000 1.279 111 K CA 0.458 56.660 56.287 -0.140 0.000 0.918 111 K CB 0.129 32.563 32.500 -0.110 0.000 1.287 111 K HN 0.327 nan 8.250 nan 0.000 0.502 112 G N 1.251 109.996 108.800 -0.092 0.000 2.606 112 G HA2 0.055 4.017 3.960 0.004 0.000 0.252 112 G HA3 0.055 4.017 3.960 0.004 0.000 0.252 112 G C -0.797 174.041 174.900 -0.103 0.000 1.206 112 G CA -0.338 44.719 45.100 -0.072 0.000 0.861 112 G HN 0.201 nan 8.290 nan 0.000 0.561 113 D N 0.510 120.851 120.400 -0.097 0.000 2.435 113 D HA 0.276 4.919 4.640 0.004 0.000 0.230 113 D C -0.115 175.966 176.300 -0.365 0.000 1.215 113 D CA 0.292 54.161 54.000 -0.218 0.000 0.947 113 D CB 1.053 41.731 40.800 -0.203 0.000 1.048 113 D HN -0.028 nan 8.370 nan 0.000 0.512 114 V N 2.963 122.689 119.914 -0.314 0.000 2.540 114 V HA 0.320 4.442 4.120 0.004 0.000 0.302 114 V C 0.271 176.187 176.094 -0.296 0.000 1.035 114 V CA -0.954 61.161 62.300 -0.310 0.000 0.873 114 V CB 1.428 33.138 31.823 -0.187 0.000 0.992 114 V HN 0.289 nan 8.190 nan 0.000 0.428 115 F N 2.698 122.516 119.950 -0.221 0.000 2.563 115 F HA 0.144 4.673 4.527 0.003 0.000 0.363 115 F C 0.703 176.398 175.800 -0.175 0.000 1.123 115 F CA -0.006 57.887 58.000 -0.178 0.000 1.307 115 F CB 0.752 39.654 39.000 -0.163 0.000 1.115 115 F HN 0.195 nan 8.300 nan 0.000 0.592 116 V N 5.810 125.793 119.914 0.115 0.000 2.470 116 V HA 0.198 4.320 4.120 0.004 0.000 0.276 116 V C 0.170 176.311 176.094 0.078 0.000 1.040 116 V CA -0.074 62.254 62.300 0.047 0.000 1.008 116 V CB 0.093 31.945 31.823 0.048 0.000 0.990 116 V HN 0.574 nan 8.190 nan 0.000 0.477 117 I N 2.939 123.529 120.570 0.034 0.000 3.074 117 I HA 0.851 5.023 4.170 0.004 0.000 0.310 117 I C -0.462 175.682 176.117 0.045 0.000 1.153 117 I CA -0.968 60.353 61.300 0.034 0.000 0.993 117 I CB 2.454 40.420 38.000 -0.057 0.000 1.237 117 I HN 0.421 nan 8.210 nan 0.000 0.443 118 R N 0.874 121.409 120.500 0.057 0.000 2.870 118 R HA 0.418 4.760 4.340 0.004 0.000 0.262 118 R C -1.056 175.279 176.300 0.058 0.000 1.112 118 R CA -0.934 55.185 56.100 0.032 0.000 0.976 118 R CB 1.436 31.734 30.300 -0.004 0.000 1.261 118 R HN 0.825 nan 8.270 nan 0.000 0.453 119 E N 0.245 120.464 120.200 0.033 0.000 2.228 119 E HA -0.155 4.197 4.350 0.004 0.000 0.213 119 E C -2.474 174.211 176.600 0.142 0.000 1.282 119 E CA 0.445 56.940 56.400 0.158 0.000 0.707 119 E CB -1.189 28.647 29.700 0.226 0.000 1.150 119 E HN 0.243 nan 8.360 nan 0.000 0.362 120 P HA 0.460 nan 4.420 nan 0.000 0.278 120 P C -0.348 176.572 177.300 -0.634 0.000 1.258 120 P CA -0.377 62.597 63.100 -0.211 0.000 0.811 120 P CB 0.618 32.194 31.700 -0.206 0.000 1.063 121 F N -1.726 117.790 119.950 -0.723 0.000 2.719 121 F HA 0.636 5.165 4.527 0.003 0.000 0.309 121 F C -1.743 173.736 175.800 -0.536 0.000 1.138 121 F CA -1.316 56.008 58.000 -1.125 0.000 0.943 121 F CB 0.558 39.300 39.000 -0.429 0.000 1.304 121 F HN 0.041 nan 8.300 nan 0.000 0.445 122 I N 2.000 122.404 120.570 -0.277 0.000 2.493 122 I HA 0.640 4.812 4.170 0.004 0.000 0.298 122 I C -0.434 175.771 176.117 0.146 0.000 0.998 122 I CA -0.764 60.392 61.300 -0.241 0.000 1.137 122 I CB 1.963 39.453 38.000 -0.850 0.000 1.310 122 I HN 0.725 nan 8.210 nan 0.000 0.445 123 S N 4.234 120.108 115.700 0.290 0.000 2.548 123 S HA 0.604 5.076 4.470 0.004 0.000 0.276 123 S C -1.101 173.873 174.600 0.623 0.000 1.129 123 S CA -0.449 58.069 58.200 0.531 0.000 0.931 123 S CB 1.112 64.700 63.200 0.646 0.000 1.068 123 S HN 0.675 nan 8.310 nan 0.000 0.480 124 c N 2.872 121.785 118.600 0.522 0.000 2.454 124 c HA 0.899 5.471 4.570 0.004 0.000 0.336 124 c C 1.188 175.368 174.090 0.150 0.000 1.189 124 c CA -0.589 55.973 56.329 0.388 0.000 1.877 124 c CB 1.100 43.799 42.510 0.314 0.000 2.348 124 c HN 1.008 nan 8.230 nan 0.000 0.508 125 S N 0.697 116.356 115.700 -0.069 0.000 2.496 125 S HA 0.301 4.773 4.470 0.004 0.000 0.260 125 S C 0.919 175.441 174.600 -0.131 0.000 1.122 125 S CA 0.016 57.948 58.200 -0.446 0.000 1.019 125 S CB -0.127 62.363 63.200 -1.183 0.000 1.226 125 S HN 0.911 nan 8.310 nan 0.000 0.502 126 H N 0.131 119.013 119.070 -0.314 0.000 2.553 126 H HA 0.435 4.993 4.556 0.004 0.000 0.265 126 H C 1.162 176.438 175.328 -0.088 0.000 0.964 126 H CA 0.256 56.226 56.048 -0.129 0.000 1.156 126 H CB -0.325 29.386 29.762 -0.085 0.000 1.411 126 H HN 0.454 nan 8.280 nan 0.000 0.558 127 L N 0.016 120.980 121.223 -0.432 0.000 2.806 127 L HA 0.257 4.599 4.340 0.004 0.000 0.242 127 L C 0.360 177.153 176.870 -0.129 0.000 1.068 127 L CA 0.116 54.752 54.840 -0.339 0.000 0.923 127 L CB 0.644 42.410 42.059 -0.487 0.000 1.364 127 L HN 0.210 nan 8.230 nan 0.000 0.511 128 E N -1.010 119.151 120.200 -0.065 0.000 2.456 128 E HA 0.499 4.852 4.350 0.004 0.000 0.276 128 E C -1.609 175.082 176.600 0.151 0.000 0.981 128 E CA -0.871 55.560 56.400 0.052 0.000 0.814 128 E CB 2.271 32.015 29.700 0.073 0.000 1.382 128 E HN -0.128 nan 8.360 nan 0.000 0.459 129 c N 0.552 119.251 118.600 0.166 0.000 2.441 129 c HA 0.648 5.221 4.570 0.004 0.000 0.318 129 c C -0.490 173.661 174.090 0.101 0.000 1.222 129 c CA -0.579 55.875 56.329 0.209 0.000 1.474 129 c CB 0.696 43.347 42.510 0.235 0.000 2.125 129 c HN 0.587 nan 8.230 nan 0.000 0.479 130 R N 1.142 121.690 120.500 0.080 0.000 2.740 130 R HA 0.642 4.984 4.340 0.004 0.000 0.282 130 R C -0.804 175.338 176.300 -0.263 0.000 0.969 130 R CA -0.430 55.544 56.100 -0.209 0.000 0.918 130 R CB 1.892 31.853 30.300 -0.564 0.000 1.175 130 R HN 0.644 nan 8.270 nan 0.000 0.464 131 T N 2.977 117.319 114.554 -0.352 0.000 2.771 131 T HA 0.377 4.730 4.350 0.004 0.000 0.291 131 T C -0.543 173.820 174.700 -0.562 0.000 0.954 131 T CA -0.118 61.782 62.100 -0.334 0.000 1.045 131 T CB 0.180 68.933 68.868 -0.191 0.000 0.917 131 T HN 0.170 nan 8.240 nan 0.000 0.484 132 F N 3.551 123.033 119.950 -0.780 0.000 2.432 132 F HA 0.752 5.282 4.527 0.003 0.000 0.329 132 F C -0.005 175.321 175.800 -0.790 0.000 1.076 132 F CA -1.229 56.144 58.000 -1.046 0.000 1.018 132 F CB 1.102 39.177 39.000 -1.542 0.000 1.201 132 F HN 0.567 nan 8.300 nan 0.000 0.489 133 F N -0.664 119.051 119.950 -0.391 0.000 2.693 133 F HA 0.662 5.192 4.527 0.004 0.000 0.309 133 F C -2.100 173.592 175.800 -0.180 0.000 1.129 133 F CA -1.586 56.256 58.000 -0.265 0.000 0.948 133 F CB 1.099 39.951 39.000 -0.247 0.000 1.315 133 F HN 0.155 nan 8.300 nan 0.000 0.447 134 L N 2.866 124.163 121.223 0.123 0.000 2.264 134 L HA 0.472 4.814 4.340 0.004 0.000 0.287 134 L C 0.408 177.340 176.870 0.104 0.000 1.039 134 L CA -0.657 54.223 54.840 0.066 0.000 0.829 134 L CB 1.487 43.609 42.059 0.104 0.000 1.211 134 L HN 0.967 nan 8.230 nan 0.000 0.427 135 T N -0.662 113.910 114.554 0.032 0.000 2.788 135 T HA 0.136 4.488 4.350 0.004 0.000 0.287 135 T C 0.572 175.300 174.700 0.046 0.000 1.007 135 T CA -0.511 61.579 62.100 -0.018 0.000 1.005 135 T CB 1.250 69.919 68.868 -0.332 0.000 1.012 135 T HN 0.521 nan 8.240 nan 0.000 0.530 136 Q N -0.009 119.842 119.800 0.085 0.000 2.198 136 Q HA 0.229 4.571 4.340 0.004 0.000 0.209 136 Q C 1.246 177.331 176.000 0.142 0.000 0.848 136 Q CA 0.369 56.247 55.803 0.125 0.000 0.974 136 Q CB 0.591 29.407 28.738 0.129 0.000 1.115 136 Q HN 1.228 nan 8.270 nan 0.000 0.494 137 G N 1.537 110.410 108.800 0.123 0.000 2.323 137 G HA2 -0.160 3.802 3.960 0.004 0.000 0.292 137 G HA3 -0.160 3.802 3.960 0.004 0.000 0.292 137 G C -0.023 174.960 174.900 0.139 0.000 1.040 137 G CA 0.489 45.675 45.100 0.143 0.000 0.942 137 G HN 0.554 nan 8.290 nan 0.000 0.506 138 A N -0.659 122.292 122.820 0.218 0.000 2.594 138 A HA 0.773 5.095 4.320 0.004 0.000 0.296 138 A C -0.381 177.275 177.584 0.119 0.000 1.061 138 A CA -0.720 51.396 52.037 0.132 0.000 0.689 138 A CB 1.133 20.211 19.000 0.130 0.000 1.280 138 A HN 0.799 nan 8.150 nan 0.000 0.406 139 L N 1.763 122.985 121.223 -0.002 0.000 2.360 139 L HA 0.456 4.798 4.340 0.004 0.000 0.271 139 L C -0.001 176.801 176.870 -0.115 0.000 1.057 139 L CA -0.767 54.009 54.840 -0.106 0.000 0.803 139 L CB 1.175 43.127 42.059 -0.178 0.000 1.207 139 L HN 0.680 nan 8.230 nan 0.000 0.445 140 L N 2.559 123.676 121.223 -0.177 0.000 2.506 140 L HA -0.035 4.307 4.340 0.004 0.000 0.281 140 L C 0.946 177.707 176.870 -0.183 0.000 1.228 140 L CA 0.325 55.004 54.840 -0.270 0.000 0.850 140 L CB -0.099 41.808 42.059 -0.253 0.000 1.110 140 L HN 0.754 nan 8.230 nan 0.000 0.496 141 N N 0.898 119.480 118.700 -0.196 0.000 2.741 141 N HA -0.210 4.532 4.740 0.004 0.000 0.250 141 N C -0.801 174.684 175.510 -0.042 0.000 1.115 141 N CA 1.142 54.164 53.050 -0.047 0.000 0.724 141 N CB -0.801 37.661 38.487 -0.043 0.000 1.090 141 N HN 0.791 nan 8.380 nan 0.000 0.558 142 D N -0.889 119.482 120.400 -0.048 0.000 2.527 142 D HA 0.337 4.980 4.640 0.004 0.000 0.233 142 D C 1.231 177.534 176.300 0.005 0.000 1.063 142 D CA -0.494 53.505 54.000 -0.001 0.000 0.880 142 D CB 0.945 41.764 40.800 0.031 0.000 1.457 142 D HN 0.153 nan 8.370 nan 0.000 0.475 143 K N 1.385 121.764 120.400 -0.035 0.000 2.211 143 K HA -0.205 4.117 4.320 0.004 0.000 0.204 143 K C 0.871 177.377 176.600 -0.157 0.000 1.047 143 K CA 1.238 57.457 56.287 -0.113 0.000 0.935 143 K CB -0.235 32.147 32.500 -0.196 0.000 0.728 143 K HN 0.498 nan 8.250 nan 0.000 0.452 144 H N 1.055 120.129 119.070 0.006 0.000 2.559 144 H HA 0.022 4.580 4.556 0.003 0.000 0.273 144 H C 1.841 177.187 175.328 0.030 0.000 1.000 144 H CA 1.251 57.304 56.048 0.008 0.000 1.195 144 H CB 0.245 29.999 29.762 -0.014 0.000 1.368 144 H HN 0.516 nan 8.280 nan 0.000 0.592 145 S N 0.040 115.808 115.700 0.113 0.000 2.562 145 S HA -0.093 4.379 4.470 0.004 0.000 0.221 145 S C 0.787 175.484 174.600 0.162 0.000 0.975 145 S CA -0.418 57.850 58.200 0.112 0.000 0.918 145 S CB -0.399 62.810 63.200 0.014 0.000 0.772 145 S HN 0.347 nan 8.310 nan 0.000 0.531 146 N N 1.251 120.021 118.700 0.117 0.000 2.447 146 N HA 0.271 5.013 4.740 0.004 0.000 0.263 146 N C 0.889 176.454 175.510 0.091 0.000 1.226 146 N CA 0.801 53.913 53.050 0.102 0.000 0.906 146 N CB -0.079 38.437 38.487 0.047 0.000 1.060 146 N HN 0.509 nan 8.380 nan 0.000 0.468 147 G N 2.284 111.132 108.800 0.080 0.000 2.136 147 G HA2 -0.277 3.686 3.960 0.004 0.000 0.242 147 G HA3 -0.277 3.686 3.960 0.004 0.000 0.242 147 G C 0.650 175.589 174.900 0.066 0.000 0.989 147 G CA 0.522 45.655 45.100 0.054 0.000 0.682 147 G HN 0.738 nan 8.290 nan 0.000 0.522 148 T N -2.299 112.314 114.554 0.098 0.000 3.215 148 T HA 0.278 4.630 4.350 0.004 0.000 0.254 148 T C 2.025 176.766 174.700 0.069 0.000 1.149 148 T CA 0.968 63.131 62.100 0.105 0.000 1.042 148 T CB 0.892 69.852 68.868 0.153 0.000 0.966 148 T HN 0.699 nan 8.240 nan 0.000 0.534 149 V N 0.482 120.413 119.914 0.029 0.000 2.667 149 V HA 0.100 4.222 4.120 0.004 0.000 0.252 149 V C 1.207 177.303 176.094 0.002 0.000 1.065 149 V CA 0.827 63.124 62.300 -0.005 0.000 1.083 149 V CB -0.466 31.332 31.823 -0.043 0.000 0.692 149 V HN 0.472 nan 8.190 nan 0.000 0.468 150 K N 1.013 121.419 120.400 0.009 0.000 2.448 150 K HA -0.041 4.281 4.320 0.004 0.000 0.278 150 K C 0.812 177.412 176.600 0.001 0.000 1.009 150 K CA 0.720 57.007 56.287 -0.002 0.000 0.995 150 K CB 0.434 32.935 32.500 0.003 0.000 0.917 150 K HN 0.238 nan 8.250 nan 0.000 0.481 151 D N 3.658 124.041 120.400 -0.029 0.000 2.183 151 D HA -0.008 4.634 4.640 0.004 0.000 0.205 151 D C -0.085 176.183 176.300 -0.053 0.000 0.962 151 D CA 1.104 55.088 54.000 -0.026 0.000 0.849 151 D CB 0.304 41.081 40.800 -0.039 0.000 0.978 151 D HN 0.452 nan 8.370 nan 0.000 0.488 152 R N -0.040 120.355 120.500 -0.176 0.000 2.532 152 R HA 0.474 4.817 4.340 0.004 0.000 0.297 152 R C -0.696 175.489 176.300 -0.193 0.000 0.984 152 R CA -0.407 55.482 56.100 -0.351 0.000 0.884 152 R CB 2.350 32.037 30.300 -1.021 0.000 1.182 152 R HN -0.034 nan 8.270 nan 0.000 0.442 153 S N 0.917 116.610 115.700 -0.011 0.000 2.570 153 S HA 0.432 4.904 4.470 0.004 0.000 0.270 153 S C -2.369 172.268 174.600 0.061 0.000 1.149 153 S CA -1.154 57.050 58.200 0.007 0.000 0.837 153 S CB 2.146 65.372 63.200 0.044 0.000 1.124 153 S HN 0.365 nan 8.310 nan 0.000 0.465 154 P HA -0.019 nan 4.420 nan 0.000 0.228 154 P C 0.549 177.759 177.300 -0.149 0.000 1.151 154 P CA 1.224 64.238 63.100 -0.143 0.000 0.770 154 P CB -0.401 31.133 31.700 -0.276 0.000 0.786 155 H N -1.594 117.545 119.070 0.116 0.000 2.562 155 H HA 0.157 4.715 4.556 0.004 0.000 0.267 155 H C 0.857 176.244 175.328 0.098 0.000 0.959 155 H CA -0.325 55.779 56.048 0.094 0.000 1.204 155 H CB 0.061 29.871 29.762 0.079 0.000 1.430 155 H HN -0.095 nan 8.280 nan 0.000 0.545 156 R N 2.311 122.931 120.500 0.199 0.000 2.522 156 R HA 0.069 4.412 4.340 0.004 0.000 0.284 156 R C 0.037 176.397 176.300 0.100 0.000 1.032 156 R CA 0.383 56.576 56.100 0.155 0.000 1.049 156 R CB 0.105 30.529 30.300 0.205 0.000 0.956 156 R HN 0.303 nan 8.270 nan 0.000 0.422 157 T N -0.529 114.042 114.554 0.027 0.000 2.893 157 T HA 0.349 4.701 4.350 0.004 0.000 0.293 157 T C -0.334 174.239 174.700 -0.213 0.000 1.027 157 T CA -1.037 61.032 62.100 -0.052 0.000 0.988 157 T CB 1.668 70.574 68.868 0.063 0.000 1.043 157 T HN 0.327 nan 8.240 nan 0.000 0.461 158 L N 3.344 124.373 121.223 -0.324 0.000 2.361 158 L HA 0.638 4.980 4.340 0.004 0.000 0.278 158 L C -0.574 175.893 176.870 -0.672 0.000 1.113 158 L CA 0.222 54.809 54.840 -0.422 0.000 0.849 158 L CB -0.173 41.705 42.059 -0.303 0.000 1.155 158 L HN 0.798 nan 8.230 nan 0.000 0.452 159 M N 3.542 122.614 119.600 -0.880 0.000 2.667 159 M HA 0.609 5.091 4.480 0.004 0.000 0.286 159 M C -0.551 174.872 176.300 -1.463 0.000 1.270 159 M CA -0.672 54.012 55.300 -1.026 0.000 0.826 159 M CB 2.544 34.646 32.600 -0.829 0.000 1.743 159 M HN 0.656 nan 8.290 nan 0.000 0.460 160 S N 0.172 115.223 115.700 -1.081 0.000 2.588 160 S HA 0.917 5.389 4.470 0.004 0.000 0.275 160 S C -0.888 173.414 174.600 -0.498 0.000 1.130 160 S CA -0.797 56.752 58.200 -1.084 0.000 0.855 160 S CB 1.826 64.023 63.200 -1.673 0.000 1.116 160 S HN 1.077 nan 8.310 nan 0.000 0.472 161 C N -1.426 117.688 119.300 -0.309 0.000 3.241 161 C HA 0.855 5.317 4.460 0.004 0.000 0.312 161 C C -3.202 171.669 174.990 -0.198 0.000 1.350 161 C CA -2.142 56.785 59.018 -0.152 0.000 1.415 161 C CB 0.545 28.298 27.740 0.022 0.000 1.770 161 C HN 0.666 nan 8.230 nan 0.000 0.466 162 P HA 0.173 nan 4.420 nan 0.000 0.265 162 P C 0.330 177.558 177.300 -0.121 0.000 1.187 162 P CA 0.358 63.387 63.100 -0.117 0.000 0.766 162 P CB 0.238 31.889 31.700 -0.081 0.000 0.820 163 V N 0.622 120.466 119.914 -0.117 0.000 2.814 163 V HA 0.277 4.399 4.120 0.004 0.000 0.307 163 V C 1.514 177.522 176.094 -0.143 0.000 1.089 163 V CA 0.567 62.789 62.300 -0.129 0.000 1.212 163 V CB -0.824 30.940 31.823 -0.100 0.000 0.912 163 V HN 0.995 nan 8.190 nan 0.000 0.497 164 G N 2.297 111.013 108.800 -0.141 0.000 2.205 164 G HA2 -0.224 3.738 3.960 0.004 0.000 0.261 164 G HA3 -0.224 3.738 3.960 0.004 0.000 0.261 164 G C 0.017 174.852 174.900 -0.109 0.000 0.980 164 G CA 0.439 45.456 45.100 -0.137 0.000 0.632 164 G HN 0.978 nan 8.290 nan 0.000 0.533 165 E N 0.551 120.688 120.200 -0.105 0.000 2.277 165 E HA 0.593 4.946 4.350 0.004 0.000 0.274 165 E C 0.565 177.100 176.600 -0.109 0.000 1.022 165 E CA -0.165 56.181 56.400 -0.090 0.000 0.853 165 E CB 1.367 31.022 29.700 -0.076 0.000 1.086 165 E HN 0.600 nan 8.360 nan 0.000 0.397 166 A N 4.465 127.224 122.820 -0.102 0.000 2.491 166 A HA 0.177 4.499 4.320 0.004 0.000 0.261 166 A C -2.051 175.432 177.584 -0.167 0.000 1.101 166 A CA -1.224 50.733 52.037 -0.133 0.000 0.772 166 A CB -0.372 18.566 19.000 -0.104 0.000 1.043 166 A HN 0.318 nan 8.150 nan 0.000 0.501 167 P HA 0.037 nan 4.420 nan 0.000 0.263 167 P C 0.149 177.365 177.300 -0.141 0.000 1.247 167 P CA 0.638 63.535 63.100 -0.338 0.000 0.876 167 P CB 1.018 32.076 31.700 -1.070 0.000 0.928 168 S N 3.624 119.269 115.700 -0.091 0.000 4.422 168 S HA 0.219 4.691 4.470 0.004 0.000 0.210 168 S C 0.693 175.089 174.600 -0.341 0.000 1.082 168 S CA -0.243 57.744 58.200 -0.355 0.000 1.813 168 S CB -0.690 62.334 63.200 -0.293 0.000 0.877 168 S HN 0.394 nan 8.310 nan 0.000 0.755 169 Y N 2.101 122.371 120.300 -0.050 0.000 4.730 169 Y HA -0.286 4.266 4.550 0.003 0.000 0.199 169 Y C 1.252 177.145 175.900 -0.012 0.000 0.992 169 Y CA 1.147 59.228 58.100 -0.032 0.000 1.692 169 Y CB -1.618 36.807 38.460 -0.058 0.000 1.582 169 Y HN 0.690 nan 8.280 nan 0.000 0.563 170 N N -1.753 117.001 118.700 0.090 0.000 2.118 170 N HA 0.101 4.843 4.740 0.004 0.000 0.226 170 N C -0.608 174.934 175.510 0.052 0.000 1.305 170 N CA 0.221 53.306 53.050 0.058 0.000 0.890 170 N CB 0.329 38.833 38.487 0.028 0.000 1.118 170 N HN 0.041 nan 8.380 nan 0.000 0.511 171 S N 0.801 116.563 115.700 0.105 0.000 2.489 171 S HA 0.361 4.833 4.470 0.004 0.000 0.291 171 S C -0.382 174.244 174.600 0.044 0.000 1.151 171 S CA -0.771 57.503 58.200 0.122 0.000 1.082 171 S CB 2.101 65.514 63.200 0.356 0.000 1.019 171 S HN 0.261 nan 8.310 nan 0.000 0.492 172 R N 2.309 122.759 120.500 -0.083 0.000 2.312 172 R HA 0.319 4.661 4.340 0.004 0.000 0.311 172 R C -0.995 175.231 176.300 -0.123 0.000 1.004 172 R CA -0.514 55.532 56.100 -0.090 0.000 0.902 172 R CB 0.472 30.672 30.300 -0.167 0.000 1.073 172 R HN 0.605 nan 8.270 nan 0.000 0.457 173 F N 4.208 124.076 119.950 -0.136 0.000 2.456 173 F HA 0.123 4.652 4.527 0.004 0.000 0.358 173 F C 0.610 176.322 175.800 -0.147 0.000 1.095 173 F CA 0.235 58.146 58.000 -0.148 0.000 1.216 173 F CB 1.005 39.954 39.000 -0.086 0.000 1.125 173 F HN 0.655 nan 8.300 nan 0.000 0.549 174 E N 2.526 122.120 120.200 -1.010 0.000 2.280 174 E HA 0.158 4.510 4.350 0.004 0.000 0.197 174 E C -0.177 175.953 176.600 -0.784 0.000 0.913 174 E CA 0.262 56.275 56.400 -0.646 0.000 0.995 174 E CB 0.525 29.970 29.700 -0.425 0.000 0.991 174 E HN 0.470 nan 8.360 nan 0.000 0.484 175 S N -0.259 114.744 115.700 -1.163 0.000 2.567 175 S HA 0.344 4.816 4.470 0.004 0.000 0.270 175 S C -1.384 172.993 174.600 -0.371 0.000 1.152 175 S CA -0.628 57.252 58.200 -0.533 0.000 0.835 175 S CB 1.632 64.672 63.200 -0.267 0.000 1.115 175 S HN -0.070 nan 8.310 nan 0.000 0.459 176 V N 2.556 122.481 119.914 0.019 0.000 2.455 176 V HA 0.779 4.901 4.120 0.004 0.000 0.273 176 V C 0.380 176.418 176.094 -0.093 0.000 1.045 176 V CA 0.303 62.633 62.300 0.050 0.000 0.976 176 V CB 0.146 32.038 31.823 0.115 0.000 0.993 176 V HN 1.040 nan 8.190 nan 0.000 0.475 177 A N 5.434 128.189 122.820 -0.109 0.000 2.565 177 A HA 0.590 4.912 4.320 0.004 0.000 0.298 177 A C -0.361 177.183 177.584 -0.067 0.000 1.062 177 A CA -0.722 51.190 52.037 -0.208 0.000 0.723 177 A CB 1.065 19.953 19.000 -0.187 0.000 1.282 177 A HN 0.988 nan 8.150 nan 0.000 0.400 178 W N 1.270 122.579 121.300 0.014 0.000 3.005 178 W HA 0.548 5.210 4.660 0.003 0.000 0.374 178 W C -0.015 176.534 176.519 0.050 0.000 1.076 178 W CA 0.299 57.662 57.345 0.030 0.000 1.794 178 W CB 0.194 29.669 29.460 0.026 0.000 1.113 178 W HN 0.834 nan 8.180 nan 0.000 0.584 179 S N 0.835 116.591 115.700 0.093 0.000 2.535 179 S HA 0.709 5.181 4.470 0.004 0.000 0.272 179 S C -1.204 173.389 174.600 -0.011 0.000 1.149 179 S CA -0.105 58.176 58.200 0.133 0.000 0.888 179 S CB 1.405 64.729 63.200 0.206 0.000 1.110 179 S HN 0.353 nan 8.310 nan 0.000 0.463 180 A N 2.127 124.983 122.820 0.061 0.000 2.606 180 A HA 0.925 5.248 4.320 0.004 0.000 0.293 180 A C -0.712 176.873 177.584 0.003 0.000 1.082 180 A CA -0.566 51.492 52.037 0.036 0.000 0.685 180 A CB 1.681 20.737 19.000 0.094 0.000 1.284 180 A HN 1.029 nan 8.150 nan 0.000 0.408 181 S N -1.064 114.611 115.700 -0.043 0.000 2.579 181 S HA 0.907 5.379 4.470 0.004 0.000 0.272 181 S C -1.131 173.426 174.600 -0.071 0.000 1.141 181 S CA 0.240 58.341 58.200 -0.165 0.000 0.843 181 S CB 1.756 64.885 63.200 -0.118 0.000 1.122 181 S HN 2.467 nan 8.310 nan 0.000 0.468 182 A N 1.010 123.766 122.820 -0.107 0.000 2.566 182 A HA 0.807 5.129 4.320 0.004 0.000 0.297 182 A C -0.688 176.934 177.584 0.063 0.000 1.059 182 A CA -0.345 51.620 52.037 -0.121 0.000 0.691 182 A CB 0.370 18.925 19.000 -0.741 0.000 1.282 182 A HN 2.031 nan 8.150 nan 0.000 0.401 183 c N -0.304 118.439 118.600 0.239 0.000 3.306 183 c HA 0.852 5.424 4.570 0.004 0.000 0.335 183 c C -0.824 173.440 174.090 0.289 0.000 1.382 183 c CA -0.798 55.742 56.329 0.351 0.000 1.254 183 c CB 0.605 43.252 42.510 0.228 0.000 1.555 183 c HN 1.293 nan 8.230 nan 0.000 0.463 184 H N 0.538 119.565 119.070 -0.072 0.000 2.505 184 H HA 0.526 5.084 4.556 0.004 0.000 0.338 184 H C 0.380 175.619 175.328 -0.148 0.000 1.057 184 H CA 0.034 55.856 56.048 -0.377 0.000 1.202 184 H CB 1.417 30.556 29.762 -1.038 0.000 1.466 184 H HN 0.835 nan 8.280 nan 0.000 0.499 185 D N 2.758 123.081 120.400 -0.128 0.000 2.328 185 D HA 0.125 4.767 4.640 0.004 0.000 0.226 185 D C 1.496 177.808 176.300 0.020 0.000 1.066 185 D CA 0.646 54.647 54.000 0.001 0.000 0.861 185 D CB 0.317 41.132 40.800 0.024 0.000 0.912 185 D HN 0.865 nan 8.370 nan 0.000 0.521 186 G N -0.805 108.085 108.800 0.151 0.000 2.284 186 G HA2 -0.316 3.646 3.960 0.004 0.000 0.216 186 G HA3 -0.316 3.646 3.960 0.004 0.000 0.216 186 G C 1.221 176.041 174.900 -0.134 0.000 1.009 186 G CA 0.447 45.529 45.100 -0.030 0.000 0.625 186 G HN 0.395 nan 8.290 nan 0.000 0.501 187 T N 0.064 114.539 114.554 -0.132 0.000 3.053 187 T HA 0.502 4.854 4.350 0.004 0.000 0.236 187 T C 0.920 175.444 174.700 -0.294 0.000 0.996 187 T CA 1.510 63.539 62.100 -0.118 0.000 1.185 187 T CB 0.225 69.075 68.868 -0.030 0.000 0.892 187 T HN 0.477 nan 8.240 nan 0.000 0.432 188 S N -0.750 114.514 115.700 -0.727 0.000 2.627 188 S HA 0.482 4.955 4.470 0.004 0.000 0.283 188 S C -1.803 172.156 174.600 -1.069 0.000 1.127 188 S CA -0.988 56.673 58.200 -0.899 0.000 0.863 188 S CB 1.245 63.778 63.200 -1.112 0.000 1.121 188 S HN 0.400 nan 8.310 nan 0.000 0.479 189 W N 2.170 123.184 121.300 -0.476 0.000 2.303 189 W HA 0.417 5.079 4.660 0.003 0.000 0.318 189 W C -0.074 176.356 176.519 -0.149 0.000 1.362 189 W CA -0.214 57.034 57.345 -0.161 0.000 1.234 189 W CB 0.317 29.829 29.460 0.086 0.000 1.248 189 W HN 0.357 nan 8.180 nan 0.000 0.546 190 L N 5.733 127.089 121.223 0.222 0.000 2.292 190 L HA 0.601 4.943 4.340 0.004 0.000 0.284 190 L C 0.278 177.251 176.870 0.172 0.000 1.065 190 L CA 0.013 54.982 54.840 0.216 0.000 0.806 190 L CB 0.742 42.918 42.059 0.195 0.000 1.175 190 L HN 0.389 nan 8.230 nan 0.000 0.431 191 T N 3.025 117.637 114.554 0.097 0.000 2.887 191 T HA 0.743 5.095 4.350 0.004 0.000 0.288 191 T C -0.325 174.363 174.700 -0.021 0.000 1.021 191 T CA -0.599 61.507 62.100 0.010 0.000 1.000 191 T CB 1.230 70.085 68.868 -0.021 0.000 1.034 191 T HN 0.489 nan 8.240 nan 0.000 0.467 192 I N 1.658 122.197 120.570 -0.051 0.000 2.439 192 I HA 0.609 4.781 4.170 0.004 0.000 0.285 192 I C 0.358 176.414 176.117 -0.101 0.000 1.021 192 I CA -0.866 60.386 61.300 -0.079 0.000 1.091 192 I CB 1.975 39.926 38.000 -0.083 0.000 1.242 192 I HN 0.979 nan 8.210 nan 0.000 0.439 193 G N 7.274 115.994 108.800 -0.133 0.000 2.626 193 G HA2 0.732 4.694 3.960 0.004 0.000 0.304 193 G HA3 0.732 4.694 3.960 0.004 0.000 0.304 193 G C -0.823 173.923 174.900 -0.255 0.000 1.385 193 G CA -0.403 44.590 45.100 -0.178 0.000 0.957 193 G HN 0.469 nan 8.290 nan 0.000 0.504 194 I N 1.960 122.298 120.570 -0.386 0.000 2.336 194 I HA 0.519 4.691 4.170 0.004 0.000 0.292 194 I C 0.358 175.852 176.117 -1.040 0.000 0.991 194 I CA -0.320 60.609 61.300 -0.619 0.000 1.227 194 I CB 1.791 39.393 38.000 -0.663 0.000 1.366 194 I HN 0.464 nan 8.210 nan 0.000 0.466 195 S N 3.448 118.682 115.700 -0.776 0.000 2.794 195 S HA 0.959 5.431 4.470 0.004 0.000 0.299 195 S C -0.355 174.149 174.600 -0.159 0.000 1.179 195 S CA 0.186 57.998 58.200 -0.648 0.000 0.838 195 S CB 1.772 64.813 63.200 -0.264 0.000 1.206 195 S HN 1.162 nan 8.310 nan 0.000 0.523 196 G N 1.327 110.220 108.800 0.154 0.000 2.655 196 G HA2 -0.013 3.950 3.960 0.004 0.000 0.680 196 G HA3 -0.013 3.950 3.960 0.004 0.000 0.680 196 G C -3.265 171.836 174.900 0.337 0.000 1.302 196 G CA -0.463 44.751 45.100 0.190 0.000 0.872 196 G HN 0.670 nan 8.290 nan 0.000 0.540 197 P HA 0.304 nan 4.420 nan 0.000 0.274 197 P C 0.121 177.514 177.300 0.154 0.000 1.237 197 P CA -0.057 63.123 63.100 0.135 0.000 0.793 197 P CB 0.688 32.429 31.700 0.069 0.000 0.977 198 D N 0.774 121.202 120.400 0.047 0.000 2.149 198 D HA -0.159 4.483 4.640 0.004 0.000 0.198 198 D C 1.329 177.644 176.300 0.026 0.000 0.990 198 D CA 1.491 55.492 54.000 0.002 0.000 0.839 198 D CB -0.480 40.269 40.800 -0.085 0.000 0.948 198 D HN 0.512 nan 8.370 nan 0.000 0.460 199 N N -0.473 118.237 118.700 0.017 0.000 2.314 199 N HA 0.107 4.849 4.740 0.004 0.000 0.200 199 N C 0.480 175.999 175.510 0.015 0.000 1.135 199 N CA 0.324 53.375 53.050 0.002 0.000 0.835 199 N CB 0.537 39.020 38.487 -0.006 0.000 0.989 199 N HN 0.074 nan 8.380 nan 0.000 0.478 200 G N -1.095 107.732 108.800 0.044 0.000 4.918 200 G HA2 0.462 4.425 3.960 0.004 0.000 0.220 200 G HA3 0.462 4.425 3.960 0.004 0.000 0.220 200 G C -0.518 174.423 174.900 0.068 0.000 2.090 200 G CA -0.120 45.007 45.100 0.044 0.000 0.632 200 G HN 0.483 nan 8.290 nan 0.000 0.234 201 A N -0.027 122.855 122.820 0.102 0.000 2.386 201 A HA 0.764 5.086 4.320 0.004 0.000 0.248 201 A C 0.023 177.609 177.584 0.003 0.000 1.082 201 A CA -0.138 51.957 52.037 0.097 0.000 0.789 201 A CB 1.184 20.308 19.000 0.205 0.000 1.025 201 A HN 0.910 nan 8.150 nan 0.000 0.490 202 V N 1.246 121.125 119.914 -0.059 0.000 2.540 202 V HA 0.568 4.691 4.120 0.004 0.000 0.302 202 V C 0.507 176.516 176.094 -0.142 0.000 1.035 202 V CA -0.346 61.912 62.300 -0.070 0.000 0.873 202 V CB 1.467 33.264 31.823 -0.045 0.000 0.992 202 V HN 1.181 nan 8.190 nan 0.000 0.428 203 A N 4.876 127.618 122.820 -0.131 0.000 2.354 203 A HA 0.640 4.962 4.320 0.004 0.000 0.281 203 A C -0.335 177.167 177.584 -0.138 0.000 1.174 203 A CA -0.231 51.706 52.037 -0.166 0.000 0.828 203 A CB 0.430 19.323 19.000 -0.178 0.000 1.099 203 A HN 0.689 nan 8.150 nan 0.000 0.516 204 V N 5.087 124.922 119.914 -0.132 0.000 2.350 204 V HA 0.252 4.374 4.120 0.004 0.000 0.276 204 V C 0.012 176.057 176.094 -0.082 0.000 1.028 204 V CA -0.230 62.015 62.300 -0.092 0.000 0.860 204 V CB 0.939 32.719 31.823 -0.071 0.000 0.990 204 V HN 0.716 nan 8.190 nan 0.000 0.453 205 L N 5.709 126.891 121.223 -0.068 0.000 2.275 205 L HA 0.597 4.939 4.340 0.004 0.000 0.288 205 L C -0.053 176.817 176.870 -0.000 0.000 1.046 205 L CA -0.520 54.293 54.840 -0.046 0.000 0.805 205 L CB 1.209 43.229 42.059 -0.064 0.000 1.193 205 L HN 0.554 nan 8.230 nan 0.000 0.426 206 K N 3.265 123.684 120.400 0.032 0.000 2.345 206 K HA 0.411 4.734 4.320 0.004 0.000 0.255 206 K C -1.548 175.146 176.600 0.156 0.000 0.934 206 K CA -0.656 55.676 56.287 0.075 0.000 0.801 206 K CB 2.677 35.206 32.500 0.049 0.000 1.137 206 K HN 0.376 nan 8.250 nan 0.000 0.424 207 Y N 3.006 123.312 120.300 0.011 0.000 2.328 207 Y HA 0.117 4.669 4.550 0.004 0.000 0.333 207 Y C 0.136 176.057 175.900 0.036 0.000 0.958 207 Y CA -0.316 57.793 58.100 0.014 0.000 1.167 207 Y CB 0.860 39.311 38.460 -0.015 0.000 1.151 207 Y HN 0.859 nan 8.280 nan 0.000 0.470 208 N N 4.166 122.738 118.700 -0.212 0.000 2.754 208 N HA -0.195 4.548 4.740 0.004 0.000 0.248 208 N C 0.616 176.133 175.510 0.012 0.000 1.093 208 N CA 1.548 54.525 53.050 -0.121 0.000 0.699 208 N CB -1.225 37.145 38.487 -0.196 0.000 1.016 208 N HN 1.340 nan 8.380 nan 0.000 0.552 209 G N -1.605 107.223 108.800 0.047 0.000 2.168 209 G HA2 -0.301 3.661 3.960 0.004 0.000 0.263 209 G HA3 -0.301 3.661 3.960 0.004 0.000 0.263 209 G C 0.138 175.077 174.900 0.065 0.000 0.977 209 G CA 0.559 45.695 45.100 0.059 0.000 0.659 209 G HN 0.568 nan 8.290 nan 0.000 0.533 210 I N 0.978 121.590 120.570 0.070 0.000 2.404 210 I HA 0.424 4.596 4.170 0.004 0.000 0.293 210 I C 0.829 176.990 176.117 0.074 0.000 0.992 210 I CA -1.212 60.130 61.300 0.071 0.000 1.149 210 I CB 1.641 39.685 38.000 0.074 0.000 1.315 210 I HN -0.022 nan 8.210 nan 0.000 0.446 211 I N 5.546 126.147 120.570 0.051 0.000 2.598 211 I HA -0.005 4.167 4.170 0.004 0.000 0.284 211 I C 1.123 177.258 176.117 0.030 0.000 1.140 211 I CA 0.511 61.832 61.300 0.035 0.000 1.420 211 I CB 0.556 38.568 38.000 0.019 0.000 1.387 211 I HN 0.774 nan 8.210 nan 0.000 0.553 212 T N -0.179 114.388 114.554 0.021 0.000 2.964 212 T HA 0.243 4.595 4.350 0.004 0.000 0.249 212 T C 0.227 174.911 174.700 -0.028 0.000 1.000 212 T CA -0.169 61.931 62.100 0.001 0.000 0.992 212 T CB 0.551 69.419 68.868 -0.000 0.000 1.087 212 T HN 0.534 nan 8.240 nan 0.000 0.489 213 D N -0.725 119.655 120.400 -0.034 0.000 2.692 213 D HA 0.558 5.200 4.640 0.004 0.000 0.290 213 D C -1.690 174.574 176.300 -0.059 0.000 1.281 213 D CA -0.151 53.818 54.000 -0.051 0.000 0.804 213 D CB 2.159 42.916 40.800 -0.070 0.000 1.331 213 D HN -0.014 nan 8.370 nan 0.000 0.432 214 T N 0.591 115.105 114.554 -0.066 0.000 2.933 214 T HA 0.661 5.013 4.350 0.004 0.000 0.305 214 T C -0.935 173.714 174.700 -0.084 0.000 1.092 214 T CA -0.370 61.688 62.100 -0.070 0.000 1.008 214 T CB 0.859 69.701 68.868 -0.042 0.000 1.102 214 T HN 0.213 nan 8.240 nan 0.000 0.469 215 I N 2.954 123.462 120.570 -0.103 0.000 2.439 215 I HA 0.460 4.632 4.170 0.004 0.000 0.285 215 I C -0.442 175.676 176.117 0.002 0.000 1.021 215 I CA -0.995 60.255 61.300 -0.084 0.000 1.091 215 I CB 1.931 39.783 38.000 -0.248 0.000 1.242 215 I HN 0.254 nan 8.210 nan 0.000 0.439 216 K N 4.549 124.990 120.400 0.069 0.000 2.172 216 K HA 0.331 4.653 4.320 0.004 0.000 0.276 216 K C 0.086 176.807 176.600 0.202 0.000 1.013 216 K CA -0.165 56.179 56.287 0.096 0.000 0.913 216 K CB 1.428 33.974 32.500 0.077 0.000 1.055 216 K HN 0.513 nan 8.250 nan 0.000 0.461 217 S N 4.012 119.784 115.700 0.120 0.000 2.702 217 S HA -0.063 4.409 4.470 0.004 0.000 0.314 217 S C 0.428 175.100 174.600 0.119 0.000 1.244 217 S CA 0.500 58.724 58.200 0.039 0.000 1.058 217 S CB -0.054 63.120 63.200 -0.044 0.000 0.783 217 S HN 0.718 nan 8.310 nan 0.000 0.503 218 W N 5.282 126.600 121.300 0.030 0.000 3.058 218 W HA 0.487 5.149 4.660 0.003 0.000 0.306 218 W C 1.234 177.754 176.519 0.002 0.000 1.188 218 W CA -0.528 56.827 57.345 0.016 0.000 1.651 218 W CB 0.224 29.696 29.460 0.019 0.000 1.051 218 W HN 0.469 nan 8.180 nan 0.000 0.592 219 R N 1.201 121.431 120.500 -0.451 0.000 2.509 219 R HA 0.082 4.424 4.340 0.004 0.000 0.297 219 R C 0.122 176.299 176.300 -0.205 0.000 0.951 219 R CA 0.068 55.981 56.100 -0.312 0.000 1.103 219 R CB -0.728 29.303 30.300 -0.447 0.000 1.283 219 R HN 0.210 nan 8.270 nan 0.000 0.534 220 N N 2.090 120.685 118.700 -0.176 0.000 2.727 220 N HA -0.222 4.521 4.740 0.004 0.000 0.249 220 N C -0.549 174.906 175.510 -0.091 0.000 1.048 220 N CA 0.827 53.821 53.050 -0.094 0.000 0.714 220 N CB -1.076 37.383 38.487 -0.047 0.000 0.959 220 N HN 0.230 nan 8.380 nan 0.000 0.544 221 N N 0.658 119.282 118.700 -0.128 0.000 2.710 221 N HA 0.256 4.998 4.740 0.004 0.000 0.244 221 N C -0.353 175.114 175.510 -0.072 0.000 1.321 221 N CA -0.403 52.592 53.050 -0.093 0.000 0.758 221 N CB -0.072 38.355 38.487 -0.101 0.000 1.284 221 N HN 0.280 nan 8.380 nan 0.000 0.530 222 I N 0.784 121.347 120.570 -0.012 0.000 7.474 222 I HA -0.327 3.845 4.170 0.004 0.000 0.126 222 I C -0.091 176.089 176.117 0.106 0.000 1.805 222 I CA 0.007 61.351 61.300 0.074 0.000 2.128 222 I CB -0.771 37.231 38.000 0.003 0.000 3.592 222 I HN 0.360 nan 8.210 nan 0.000 0.196 223 L N 6.918 128.201 121.223 0.100 0.000 2.559 223 L HA 0.242 4.585 4.340 0.004 0.000 0.274 223 L C 0.849 177.825 176.870 0.177 0.000 1.205 223 L CA 0.913 55.770 54.840 0.029 0.000 0.907 223 L CB 0.157 42.205 42.059 -0.017 0.000 1.153 223 L HN 0.541 nan 8.230 nan 0.000 0.490 224 R N 2.572 123.157 120.500 0.142 0.000 2.707 224 R HA 0.691 5.033 4.340 0.004 0.000 0.272 224 R C -0.861 175.534 176.300 0.158 0.000 1.011 224 R CA -0.792 55.427 56.100 0.198 0.000 0.893 224 R CB 1.486 31.935 30.300 0.248 0.000 1.233 224 R HN 0.557 nan 8.270 nan 0.000 0.464 225 T N -0.952 113.686 114.554 0.141 0.000 2.573 225 T HA 0.167 4.519 4.350 0.004 0.000 0.259 225 T C 0.634 175.403 174.700 0.115 0.000 0.886 225 T CA -0.397 61.773 62.100 0.118 0.000 1.110 225 T CB 1.532 70.436 68.868 0.061 0.000 1.421 225 T HN 0.664 nan 8.240 nan 0.000 0.523 226 Q N 0.108 119.950 119.800 0.071 0.000 2.119 226 Q HA -0.041 4.301 4.340 0.004 0.000 0.201 226 Q C -0.025 176.017 176.000 0.070 0.000 0.972 226 Q CA 1.273 57.112 55.803 0.059 0.000 0.847 226 Q CB 0.016 28.759 28.738 0.009 0.000 0.903 226 Q HN 0.626 nan 8.270 nan 0.000 0.433 227 E N -0.142 120.074 120.200 0.027 0.000 2.722 227 E HA -0.190 4.163 4.350 0.004 0.000 0.265 227 E C -0.315 176.252 176.600 -0.054 0.000 1.081 227 E CA 1.220 57.680 56.400 0.099 0.000 0.781 227 E CB -2.226 27.695 29.700 0.368 0.000 1.372 227 E HN 0.482 nan 8.360 nan 0.000 0.423 228 S N -1.483 113.947 115.700 -0.451 0.000 2.819 228 S HA 0.507 4.979 4.470 0.004 0.000 0.299 228 S C -0.240 173.888 174.600 -0.787 0.000 1.192 228 S CA -0.730 57.114 58.200 -0.593 0.000 0.847 228 S CB 1.830 65.185 63.200 0.259 0.000 1.224 228 S HN 0.217 nan 8.310 nan 0.000 0.537 229 E N 0.029 120.097 120.200 -0.220 0.000 2.373 229 E HA 0.414 4.766 4.350 0.004 0.000 0.267 229 E C 0.275 176.914 176.600 0.065 0.000 1.032 229 E CA -0.958 55.444 56.400 0.003 0.000 0.889 229 E CB 0.070 29.961 29.700 0.318 0.000 0.984 229 E HN 0.782 nan 8.360 nan 0.000 0.425 230 c N 1.779 120.428 118.600 0.081 0.000 2.563 230 c HA 0.736 5.308 4.570 0.004 0.000 0.358 230 c C 0.639 174.857 174.090 0.214 0.000 1.336 230 c CA -0.623 55.795 56.329 0.149 0.000 2.454 230 c CB -0.027 42.563 42.510 0.133 0.000 2.448 230 c HN 0.814 nan 8.230 nan 0.000 0.670 231 A N 0.033 123.008 122.820 0.259 0.000 2.317 231 A HA 0.650 4.972 4.320 0.004 0.000 0.327 231 A C -0.461 177.318 177.584 0.326 0.000 1.178 231 A CA -0.326 51.869 52.037 0.263 0.000 0.817 231 A CB 0.196 19.311 19.000 0.192 0.000 1.189 231 A HN 1.048 nan 8.150 nan 0.000 0.489 232 c N 2.119 120.873 118.600 0.257 0.000 2.345 232 c HA 0.669 5.241 4.570 0.004 0.000 0.323 232 c C -0.059 174.167 174.090 0.226 0.000 1.276 232 c CA -0.579 55.897 56.329 0.246 0.000 1.543 232 c CB 0.466 43.069 42.510 0.154 0.000 2.211 232 c HN 0.611 nan 8.230 nan 0.000 0.493 233 V N 3.830 123.922 119.914 0.297 0.000 2.483 233 V HA 0.461 4.583 4.120 0.004 0.000 0.297 233 V C 0.172 176.373 176.094 0.179 0.000 1.027 233 V CA -0.307 62.119 62.300 0.209 0.000 0.855 233 V CB 1.457 33.390 31.823 0.184 0.000 0.995 233 V HN 0.974 nan 8.190 nan 0.000 0.424 234 N N 3.917 122.679 118.700 0.103 0.000 2.714 234 N HA -0.193 4.549 4.740 0.004 0.000 0.253 234 N C 1.053 176.595 175.510 0.054 0.000 1.024 234 N CA 1.773 54.865 53.050 0.070 0.000 0.726 234 N CB -0.989 37.540 38.487 0.070 0.000 0.908 234 N HN 1.682 nan 8.380 nan 0.000 0.542 235 G N -1.990 106.834 108.800 0.041 0.000 2.168 235 G HA2 -0.274 3.689 3.960 0.004 0.000 0.263 235 G HA3 -0.274 3.689 3.960 0.004 0.000 0.263 235 G C -0.032 174.852 174.900 -0.027 0.000 0.977 235 G CA 0.605 45.709 45.100 0.007 0.000 0.659 235 G HN 0.792 nan 8.290 nan 0.000 0.533 236 S N -0.672 115.023 115.700 -0.009 0.000 2.473 236 S HA 0.670 5.142 4.470 0.004 0.000 0.307 236 S C 0.099 174.585 174.600 -0.190 0.000 1.094 236 S CA -0.361 57.747 58.200 -0.154 0.000 1.070 236 S CB 2.132 65.234 63.200 -0.164 0.000 1.019 236 S HN 0.559 nan 8.310 nan 0.000 0.480 237 c N 2.772 121.169 118.600 -0.339 0.000 2.454 237 c HA 0.785 5.357 4.570 0.004 0.000 0.336 237 c C -0.750 173.087 174.090 -0.421 0.000 1.189 237 c CA -0.825 55.397 56.329 -0.179 0.000 1.877 237 c CB -0.037 42.467 42.510 -0.011 0.000 2.348 237 c HN 0.820 nan 8.230 nan 0.000 0.508 238 F N 0.438 120.478 119.950 0.151 0.000 2.565 238 F HA 0.671 5.200 4.527 0.003 0.000 0.313 238 F C 0.393 176.313 175.800 0.200 0.000 1.091 238 F CA -0.326 57.798 58.000 0.206 0.000 0.915 238 F CB 2.109 41.336 39.000 0.378 0.000 1.208 238 F HN 0.498 nan 8.300 nan 0.000 0.453 239 T N 1.680 116.440 114.554 0.343 0.000 2.864 239 T HA 0.740 5.092 4.350 0.004 0.000 0.299 239 T C -1.722 173.126 174.700 0.247 0.000 1.166 239 T CA -0.509 61.746 62.100 0.260 0.000 1.007 239 T CB 1.694 70.660 68.868 0.163 0.000 1.219 239 T HN 0.315 nan 8.240 nan 0.000 0.506 240 V N 3.908 123.946 119.914 0.207 0.000 2.555 240 V HA 0.655 4.777 4.120 0.004 0.000 0.302 240 V C -0.287 175.955 176.094 0.246 0.000 1.038 240 V CA -0.676 61.727 62.300 0.173 0.000 0.887 240 V CB 1.697 33.579 31.823 0.098 0.000 0.991 240 V HN 0.821 nan 8.190 nan 0.000 0.434 241 M N 2.633 122.444 119.600 0.352 0.000 2.591 241 M HA 0.584 5.066 4.480 0.004 0.000 0.306 241 M C -0.776 175.789 176.300 0.443 0.000 1.190 241 M CA -0.390 55.154 55.300 0.407 0.000 0.889 241 M CB 2.819 35.751 32.600 0.554 0.000 1.728 241 M HN 0.597 nan 8.290 nan 0.000 0.458 242 T N 0.416 115.157 114.554 0.311 0.000 2.876 242 T HA 0.526 4.878 4.350 0.004 0.000 0.289 242 T C -1.441 173.239 174.700 -0.032 0.000 1.014 242 T CA -0.644 61.593 62.100 0.229 0.000 0.986 242 T CB 1.815 70.793 68.868 0.183 0.000 1.021 242 T HN 0.505 nan 8.240 nan 0.000 0.458 243 D N 0.158 120.407 120.400 -0.252 0.000 2.934 243 D HA 0.674 5.316 4.640 0.004 0.000 0.230 243 D C 0.090 176.188 176.300 -0.336 0.000 1.204 243 D CA 0.441 54.138 54.000 -0.505 0.000 0.873 243 D CB 1.934 41.939 40.800 -1.325 0.000 1.645 243 D HN 0.952 nan 8.370 nan 0.000 0.502 244 G N 2.459 111.125 108.800 -0.223 0.000 2.331 244 G HA2 0.000 3.962 3.960 0.004 0.000 0.479 244 G HA3 0.000 3.962 3.960 0.004 0.000 0.479 244 G C -2.931 171.938 174.900 -0.051 0.000 1.262 244 G CA -0.961 44.052 45.100 -0.145 0.000 1.029 244 G HN 0.430 nan 8.290 nan 0.000 0.487 245 P HA 0.297 nan 4.420 nan 0.000 0.270 245 P C 0.780 178.135 177.300 0.091 0.000 1.223 245 P CA 0.602 63.687 63.100 -0.025 0.000 0.785 245 P CB 0.982 32.618 31.700 -0.108 0.000 0.923 246 S N -0.428 115.306 115.700 0.058 0.000 2.554 246 S HA 0.054 4.526 4.470 0.004 0.000 0.226 246 S C 0.624 175.143 174.600 -0.136 0.000 0.980 246 S CA -0.193 58.054 58.200 0.078 0.000 0.939 246 S CB -0.876 62.389 63.200 0.108 0.000 0.832 246 S HN 0.508 nan 8.310 nan 0.000 0.486 247 N N 0.531 119.127 118.700 -0.173 0.000 2.299 247 N HA 0.417 5.159 4.740 0.004 0.000 0.246 247 N C 0.224 175.421 175.510 -0.522 0.000 1.254 247 N CA 0.049 52.970 53.050 -0.215 0.000 0.879 247 N CB 0.617 39.053 38.487 -0.086 0.000 1.214 247 N HN 0.418 nan 8.380 nan 0.000 0.510 248 G N -0.926 107.369 108.800 -0.841 0.000 2.554 248 G HA2 0.232 4.194 3.960 0.004 0.000 0.306 248 G HA3 0.232 4.194 3.960 0.004 0.000 0.306 248 G C -1.609 172.525 174.900 -1.277 0.000 1.320 248 G CA -0.696 43.472 45.100 -1.553 0.000 0.800 248 G HN -0.007 nan 8.290 nan 0.000 0.481 249 Q N 0.146 119.169 119.800 -1.295 0.000 2.269 249 Q HA 0.411 4.753 4.340 0.004 0.000 0.300 249 Q C 0.457 176.358 176.000 -0.165 0.000 1.070 249 Q CA 0.674 56.232 55.803 -0.408 0.000 0.957 249 Q CB 1.089 29.733 28.738 -0.157 0.000 1.131 249 Q HN 0.829 nan 8.270 nan 0.000 0.377 250 A N 2.694 125.504 122.820 -0.016 0.000 2.616 250 A HA 0.675 4.997 4.320 0.004 0.000 0.253 250 A C -0.564 176.642 177.584 -0.631 0.000 1.239 250 A CA -0.431 51.490 52.037 -0.193 0.000 0.914 250 A CB 1.569 20.550 19.000 -0.031 0.000 1.454 250 A HN 0.572 nan 8.150 nan 0.000 0.460 251 S N -1.129 114.218 115.700 -0.589 0.000 2.473 251 S HA 0.719 5.192 4.470 0.004 0.000 0.307 251 S C -1.699 172.673 174.600 -0.380 0.000 1.094 251 S CA -0.398 57.492 58.200 -0.517 0.000 1.070 251 S CB 0.262 63.521 63.200 0.098 0.000 1.019 251 S HN 0.450 nan 8.310 nan 0.000 0.480 252 Y N 2.479 122.871 120.300 0.154 0.000 2.391 252 Y HA 0.620 5.172 4.550 0.004 0.000 0.341 252 Y C 0.156 175.993 175.900 -0.106 0.000 0.965 252 Y CA -1.045 57.090 58.100 0.059 0.000 1.067 252 Y CB 1.601 40.018 38.460 -0.073 0.000 1.199 252 Y HN 0.381 nan 8.280 nan 0.000 0.450 253 K N 3.753 124.149 120.400 -0.008 0.000 2.422 253 K HA 0.623 4.946 4.320 0.004 0.000 0.251 253 K C -1.354 174.955 176.600 -0.486 0.000 0.933 253 K CA -0.768 55.256 56.287 -0.438 0.000 0.798 253 K CB 2.851 34.842 32.500 -0.848 0.000 1.238 253 K HN 0.609 nan 8.250 nan 0.000 0.428 254 I N 2.536 122.709 120.570 -0.663 0.000 2.392 254 I HA 0.371 4.543 4.170 0.004 0.000 0.295 254 I C -0.741 174.974 176.117 -0.670 0.000 0.985 254 I CA -0.671 60.285 61.300 -0.573 0.000 1.221 254 I CB 0.640 38.175 38.000 -0.774 0.000 1.366 254 I HN 0.341 nan 8.210 nan 0.000 0.467 255 F N 4.652 124.517 119.950 -0.141 0.000 2.507 255 F HA 0.452 4.981 4.527 0.003 0.000 0.325 255 F C 0.146 175.898 175.800 -0.079 0.000 1.116 255 F CA -0.762 57.172 58.000 -0.109 0.000 0.930 255 F CB 1.652 40.596 39.000 -0.094 0.000 1.146 255 F HN 0.301 nan 8.300 nan 0.000 0.447 256 K N 5.904 126.325 120.400 0.034 0.000 2.213 256 K HA 0.626 4.948 4.320 0.004 0.000 0.270 256 K C -0.939 175.543 176.600 -0.197 0.000 1.002 256 K CA -0.599 55.558 56.287 -0.218 0.000 0.868 256 K CB 0.839 33.267 32.500 -0.120 0.000 1.093 256 K HN 0.799 nan 8.250 nan 0.000 0.454 257 M N 1.895 121.313 119.600 -0.302 0.000 2.530 257 M HA 0.496 4.979 4.480 0.004 0.000 0.307 257 M C -1.388 174.763 176.300 -0.248 0.000 1.161 257 M CA -0.693 54.481 55.300 -0.209 0.000 0.903 257 M CB 2.129 34.643 32.600 -0.142 0.000 1.711 257 M HN 0.454 nan 8.290 nan 0.000 0.451 258 E N 1.398 121.468 120.200 -0.217 0.000 2.246 258 E HA 0.373 4.725 4.350 0.004 0.000 0.266 258 E C -1.107 175.291 176.600 -0.337 0.000 0.880 258 E CA -0.785 55.474 56.400 -0.235 0.000 0.762 258 E CB 2.100 31.694 29.700 -0.177 0.000 1.180 258 E HN 0.742 nan 8.360 nan 0.000 0.416 259 K N 1.305 121.381 120.400 -0.541 0.000 3.016 259 K HA -0.283 4.039 4.320 0.004 0.000 0.262 259 K C 0.625 176.668 176.600 -0.928 0.000 1.043 259 K CA 0.648 56.215 56.287 -1.201 0.000 0.761 259 K CB -1.484 30.538 32.500 -0.797 0.000 1.230 259 K HN 1.109 nan 8.250 nan 0.000 0.485 260 G N 0.437 108.965 108.800 -0.454 0.000 2.148 260 G HA2 -0.367 3.596 3.960 0.004 0.000 0.254 260 G HA3 -0.367 3.596 3.960 0.004 0.000 0.254 260 G C -0.123 174.695 174.900 -0.137 0.000 0.981 260 G CA 0.800 45.807 45.100 -0.155 0.000 0.670 260 G HN 0.409 nan 8.290 nan 0.000 0.528 261 K N 0.464 120.760 120.400 -0.174 0.000 2.292 261 K HA 0.611 4.933 4.320 0.004 0.000 0.257 261 K C 0.391 176.925 176.600 -0.110 0.000 0.940 261 K CA -0.840 55.372 56.287 -0.125 0.000 0.811 261 K CB 1.700 34.127 32.500 -0.121 0.000 1.120 261 K HN 0.019 nan 8.250 nan 0.000 0.428 262 V N 5.726 125.594 119.914 -0.078 0.000 2.450 262 V HA -0.034 4.088 4.120 0.004 0.000 0.281 262 V C 1.163 177.235 176.094 -0.037 0.000 1.019 262 V CA 0.085 62.363 62.300 -0.036 0.000 1.062 262 V CB 0.654 32.486 31.823 0.014 0.000 0.979 262 V HN 0.760 nan 8.190 nan 0.000 0.477 263 V N 1.756 121.641 119.914 -0.048 0.000 3.621 263 V HA 0.446 4.568 4.120 0.004 0.000 0.263 263 V C 0.525 176.600 176.094 -0.031 0.000 1.272 263 V CA 0.468 62.740 62.300 -0.047 0.000 1.080 263 V CB -0.156 31.629 31.823 -0.063 0.000 0.816 263 V HN 0.744 nan 8.190 nan 0.000 0.451 264 K N 0.553 120.938 120.400 -0.024 0.000 2.578 264 K HA 0.598 4.920 4.320 0.004 0.000 0.269 264 K C -1.366 175.197 176.600 -0.063 0.000 0.941 264 K CA 0.343 56.609 56.287 -0.036 0.000 0.847 264 K CB 2.372 34.860 32.500 -0.020 0.000 1.397 264 K HN 0.484 nan 8.250 nan 0.000 0.422 265 S N 0.496 116.104 115.700 -0.153 0.000 2.556 265 S HA 0.750 5.223 4.470 0.004 0.000 0.271 265 S C -1.521 172.856 174.600 -0.372 0.000 1.135 265 S CA -0.681 57.295 58.200 -0.373 0.000 0.858 265 S CB 2.006 64.874 63.200 -0.553 0.000 1.114 265 S HN 0.223 nan 8.310 nan 0.000 0.468 266 V N 1.568 121.193 119.914 -0.482 0.000 2.733 266 V HA 0.518 4.640 4.120 0.004 0.000 0.306 266 V C -0.492 175.333 176.094 -0.449 0.000 1.084 266 V CA -0.639 61.447 62.300 -0.358 0.000 0.905 266 V CB 1.674 33.365 31.823 -0.221 0.000 1.010 266 V HN 1.046 nan 8.190 nan 0.000 0.424 267 E N 4.086 124.072 120.200 -0.356 0.000 2.259 267 E HA 0.477 4.829 4.350 0.004 0.000 0.281 267 E C -0.890 175.550 176.600 -0.266 0.000 1.027 267 E CA -0.564 55.640 56.400 -0.327 0.000 0.838 267 E CB 0.999 30.538 29.700 -0.268 0.000 1.066 267 E HN 0.612 nan 8.360 nan 0.000 0.401 268 L N 4.112 125.145 121.223 -0.317 0.000 2.410 268 L HA 0.102 4.444 4.340 0.004 0.000 0.273 268 L C 0.339 177.161 176.870 -0.080 0.000 1.144 268 L CA -0.240 54.369 54.840 -0.385 0.000 0.863 268 L CB 0.432 42.209 42.059 -0.470 0.000 1.140 268 L HN 0.614 nan 8.230 nan 0.000 0.463 269 D N 4.046 124.480 120.400 0.055 0.000 2.551 269 D HA 0.274 4.916 4.640 0.004 0.000 0.223 269 D C -0.099 176.251 176.300 0.084 0.000 1.144 269 D CA -0.000 54.057 54.000 0.096 0.000 1.025 269 D CB 0.563 41.438 40.800 0.124 0.000 1.085 269 D HN 0.538 nan 8.370 nan 0.000 0.506 270 A N 4.478 127.366 122.820 0.114 0.000 3.105 270 A HA 0.390 4.712 4.320 0.004 0.000 0.336 270 A C -2.518 175.280 177.584 0.355 0.000 1.042 270 A CA -1.208 50.882 52.037 0.089 0.000 0.851 270 A CB 0.580 19.623 19.000 0.071 0.000 1.068 270 A HN 0.273 nan 8.150 nan 0.000 0.477 271 P HA 0.116 nan 4.420 nan 0.000 0.271 271 P C 0.254 177.858 177.300 0.506 0.000 1.216 271 P CA 0.493 63.815 63.100 0.370 0.000 0.771 271 P CB 0.898 32.746 31.700 0.245 0.000 0.864 272 N N 0.171 119.201 118.700 0.549 0.000 2.965 272 N HA -0.202 4.540 4.740 0.004 0.000 0.232 272 N C -0.898 174.887 175.510 0.458 0.000 0.913 272 N CA 1.225 54.538 53.050 0.439 0.000 0.981 272 N CB -1.887 36.704 38.487 0.174 0.000 1.077 272 N HN 0.388 nan 8.380 nan 0.000 0.589 273 Y N -0.308 120.266 120.300 0.456 0.000 2.403 273 Y HA 0.544 5.096 4.550 0.004 0.000 0.323 273 Y C -0.060 176.114 175.900 0.457 0.000 1.226 273 Y CA -0.281 58.058 58.100 0.399 0.000 1.235 273 Y CB 0.880 39.520 38.460 0.300 0.000 1.248 273 Y HN 0.093 nan 8.280 nan 0.000 0.489 274 Y N 1.834 122.211 120.300 0.129 0.000 2.386 274 Y HA 0.504 5.056 4.550 0.003 0.000 0.334 274 Y C -2.012 173.560 175.900 -0.547 0.000 1.002 274 Y CA -1.306 56.783 58.100 -0.017 0.000 1.068 274 Y CB 0.919 39.527 38.460 0.247 0.000 1.203 274 Y HN 0.559 nan 8.280 nan 0.000 0.443 275 Y N 4.166 123.826 120.300 -1.067 0.000 2.376 275 Y HA 0.558 5.110 4.550 0.004 0.000 0.340 275 Y C -0.340 175.279 175.900 -0.469 0.000 0.965 275 Y CA -0.713 56.979 58.100 -0.680 0.000 1.078 275 Y CB 2.135 40.127 38.460 -0.779 0.000 1.193 275 Y HN 0.619 nan 8.280 nan 0.000 0.452 276 E N 1.449 121.644 120.200 -0.009 0.000 2.380 276 E HA 0.251 4.604 4.350 0.004 0.000 0.281 276 E C -1.278 175.384 176.600 0.104 0.000 0.999 276 E CA -0.647 55.803 56.400 0.083 0.000 0.800 276 E CB 1.308 31.138 29.700 0.216 0.000 1.228 276 E HN 0.739 nan 8.360 nan 0.000 0.436 277 E N 0.562 120.830 120.200 0.114 0.000 2.252 277 E HA -0.230 4.122 4.350 0.004 0.000 0.218 277 E C -0.895 175.756 176.600 0.085 0.000 1.253 277 E CA 0.384 56.838 56.400 0.091 0.000 0.705 277 E CB -1.724 27.990 29.700 0.024 0.000 1.172 277 E HN 0.371 nan 8.360 nan 0.000 0.369 278 c N 1.089 119.759 118.600 0.116 0.000 2.653 278 c HA 0.160 4.732 4.570 0.004 0.000 0.421 278 c C 1.178 175.349 174.090 0.135 0.000 1.334 278 c CA -0.222 56.189 56.329 0.137 0.000 1.885 278 c CB 0.483 43.090 42.510 0.161 0.000 2.645 278 c HN 0.347 nan 8.230 nan 0.000 0.601 279 S N 2.262 118.051 115.700 0.148 0.000 2.423 279 S HA 0.364 4.836 4.470 0.004 0.000 0.317 279 S C -0.332 174.379 174.600 0.185 0.000 1.065 279 S CA -0.420 57.880 58.200 0.167 0.000 1.111 279 S CB 0.204 63.503 63.200 0.164 0.000 0.968 279 S HN 0.831 nan 8.310 nan 0.000 0.474 280 c N 4.161 122.870 118.600 0.182 0.000 2.417 280 c HA 0.793 5.365 4.570 0.004 0.000 0.324 280 c C -0.477 173.729 174.090 0.194 0.000 1.240 280 c CA -1.060 55.338 56.329 0.115 0.000 1.632 280 c CB -0.507 42.082 42.510 0.131 0.000 2.241 280 c HN 0.922 nan 8.230 nan 0.000 0.499 281 Y N 1.478 121.829 120.300 0.086 0.000 2.524 281 Y HA 0.798 5.350 4.550 0.004 0.000 0.347 281 Y C -3.079 172.834 175.900 0.023 0.000 1.005 281 Y CA -3.148 55.022 58.100 0.116 0.000 1.025 281 Y CB 0.988 39.586 38.460 0.230 0.000 1.275 281 Y HN 0.437 nan 8.280 nan 0.000 0.460 282 P HA 0.247 nan 4.420 nan 0.000 0.288 282 P C -1.481 175.890 177.300 0.119 0.000 1.267 282 P CA -0.333 62.795 63.100 0.047 0.000 0.815 282 P CB 1.583 33.325 31.700 0.071 0.000 0.989 283 N N 1.605 120.306 118.700 0.000 0.000 2.581 283 N HA 0.386 5.128 4.740 0.004 0.000 0.279 283 N C -0.524 174.951 175.510 -0.058 0.000 1.124 283 N CA -0.477 52.575 53.050 0.003 0.000 0.833 283 N CB 0.501 39.005 38.487 0.028 0.000 1.338 283 N HN 0.483 nan 8.380 nan 0.000 0.533 284 A N 2.759 125.555 122.820 -0.040 0.000 2.560 284 A HA -0.104 4.218 4.320 0.004 0.000 0.299 284 A C 1.269 178.820 177.584 -0.054 0.000 1.484 284 A CA 1.478 53.489 52.037 -0.043 0.000 0.749 284 A CB -2.098 16.873 19.000 -0.049 0.000 1.072 284 A HN 1.681 nan 8.150 nan 0.000 0.426 285 G N -1.770 106.999 108.800 -0.052 0.000 2.159 285 G HA2 -0.184 3.779 3.960 0.004 0.000 0.256 285 G HA3 -0.184 3.779 3.960 0.004 0.000 0.256 285 G C -0.126 174.697 174.900 -0.128 0.000 0.977 285 G CA 1.095 46.159 45.100 -0.060 0.000 0.652 285 G HN 1.920 nan 8.290 nan 0.000 0.531 286 E N -0.195 119.898 120.200 -0.177 0.000 2.272 286 E HA 0.603 4.955 4.350 0.004 0.000 0.269 286 E C -0.859 175.498 176.600 -0.405 0.000 0.877 286 E CA -1.032 55.202 56.400 -0.278 0.000 0.755 286 E CB 1.258 30.832 29.700 -0.210 0.000 1.192 286 E HN 0.145 nan 8.360 nan 0.000 0.422 287 I N 2.529 122.684 120.570 -0.691 0.000 2.359 287 I HA 0.242 4.414 4.170 0.004 0.000 0.294 287 I C -0.080 175.516 176.117 -0.868 0.000 0.987 287 I CA -0.154 60.625 61.300 -0.868 0.000 1.225 287 I CB 1.976 39.210 38.000 -1.277 0.000 1.366 287 I HN 0.330 nan 8.210 nan 0.000 0.466 288 T N 4.866 118.953 114.554 -0.779 0.000 2.792 288 T HA 0.431 4.783 4.350 0.004 0.000 0.280 288 T C -0.814 173.597 174.700 -0.481 0.000 0.990 288 T CA -0.371 61.346 62.100 -0.638 0.000 0.960 288 T CB 0.715 69.115 68.868 -0.779 0.000 0.939 288 T HN 0.506 nan 8.240 nan 0.000 0.439 289 c N 3.505 122.065 118.600 -0.067 0.000 2.351 289 c HA 0.730 5.302 4.570 0.004 0.000 0.326 289 c C 0.190 174.432 174.090 0.254 0.000 1.272 289 c CA -0.828 55.567 56.329 0.109 0.000 1.650 289 c CB 0.469 43.100 42.510 0.202 0.000 2.257 289 c HN 0.682 nan 8.230 nan 0.000 0.505 290 V N 3.000 123.056 119.914 0.236 0.000 2.417 290 V HA 0.555 4.677 4.120 0.004 0.000 0.291 290 V C 0.119 176.308 176.094 0.158 0.000 1.024 290 V CA -0.172 62.272 62.300 0.240 0.000 0.861 290 V CB 1.010 32.976 31.823 0.238 0.000 0.985 290 V HN 1.129 nan 8.190 nan 0.000 0.436 291 c N 3.501 122.168 118.600 0.111 0.000 3.157 291 c HA 0.730 5.302 4.570 0.004 0.000 0.368 291 c C 0.106 174.191 174.090 -0.008 0.000 1.623 291 c CA -1.027 55.346 56.329 0.073 0.000 1.530 291 c CB 1.856 44.458 42.510 0.153 0.000 2.152 291 c HN 0.916 nan 8.230 nan 0.000 0.456 292 R N 1.206 121.709 120.500 0.005 0.000 2.360 292 R HA 0.335 4.677 4.340 0.004 0.000 0.318 292 R C -1.508 174.857 176.300 0.109 0.000 0.950 292 R CA -0.069 56.040 56.100 0.016 0.000 0.837 292 R CB 0.741 31.044 30.300 0.004 0.000 1.165 292 R HN 0.809 nan 8.270 nan 0.000 0.458 293 D N 3.345 123.791 120.400 0.077 0.000 2.393 293 D HA 0.035 4.677 4.640 0.004 0.000 0.232 293 D C 0.202 176.513 176.300 0.019 0.000 1.192 293 D CA -0.008 54.099 54.000 0.177 0.000 0.882 293 D CB 0.955 41.867 40.800 0.187 0.000 1.038 293 D HN 0.613 nan 8.370 nan 0.000 0.499 294 N N 3.160 121.746 118.700 -0.190 0.000 2.446 294 N HA -0.043 4.699 4.740 0.004 0.000 0.179 294 N C 1.069 176.397 175.510 -0.302 0.000 1.054 294 N CA 0.318 53.188 53.050 -0.300 0.000 0.905 294 N CB 0.093 38.401 38.487 -0.299 0.000 0.973 294 N HN 0.499 nan 8.380 nan 0.000 0.448 295 W N 1.177 122.042 121.300 -0.726 0.000 2.474 295 W HA 0.005 4.668 4.660 0.004 0.000 0.319 295 W C 0.338 176.703 176.519 -0.257 0.000 1.165 295 W CA 1.929 58.944 57.345 -0.550 0.000 1.356 295 W CB -0.661 28.382 29.460 -0.696 0.000 1.172 295 W HN 0.350 nan 8.180 nan 0.000 0.478 296 H N -1.976 116.963 119.070 -0.218 0.000 3.233 296 H HA 0.523 5.081 4.556 0.003 0.000 0.232 296 H C -0.389 174.743 175.328 -0.327 0.000 1.322 296 H CA -0.930 54.895 56.048 -0.371 0.000 1.043 296 H CB -0.391 28.942 29.762 -0.715 0.000 2.572 296 H HN 0.075 nan 8.280 nan 0.000 0.597 297 G N -0.132 108.681 108.800 0.021 0.000 2.723 297 G HA2 0.432 4.395 3.960 0.004 0.000 0.295 297 G HA3 0.432 4.395 3.960 0.004 0.000 0.295 297 G C 0.300 175.182 174.900 -0.030 0.000 1.464 297 G CA -0.409 44.671 45.100 -0.033 0.000 1.012 297 G HN 0.313 nan 8.290 nan 0.000 0.522 298 S N 1.035 116.667 115.700 -0.112 0.000 2.535 298 S HA 0.081 4.553 4.470 0.004 0.000 0.214 298 S C 0.774 175.369 174.600 -0.009 0.000 0.980 298 S CA -0.372 57.760 58.200 -0.112 0.000 0.907 298 S CB -0.122 62.919 63.200 -0.266 0.000 0.790 298 S HN 0.663 nan 8.310 nan 0.000 0.510 299 N N 1.699 120.439 118.700 0.066 0.000 2.477 299 N HA 0.330 5.072 4.740 0.004 0.000 0.284 299 N C -0.881 174.731 175.510 0.169 0.000 1.182 299 N CA -0.833 52.327 53.050 0.183 0.000 0.949 299 N CB 0.645 39.279 38.487 0.246 0.000 1.204 299 N HN 0.090 nan 8.380 nan 0.000 0.526 300 R N 0.196 120.743 120.500 0.078 0.000 2.349 300 R HA 0.396 4.738 4.340 0.004 0.000 0.299 300 R C -2.067 174.094 176.300 -0.231 0.000 1.027 300 R CA -1.495 54.582 56.100 -0.038 0.000 0.958 300 R CB 1.039 31.315 30.300 -0.040 0.000 1.047 300 R HN 0.546 nan 8.270 nan 0.000 0.468 301 P HA 0.105 nan 4.420 nan 0.000 0.274 301 P C -0.854 176.296 177.300 -0.250 0.000 1.237 301 P CA -0.210 62.237 63.100 -1.088 0.000 0.793 301 P CB 0.727 31.505 31.700 -1.536 0.000 0.977 302 W N 0.365 121.616 121.300 -0.081 0.000 3.033 302 W HA 0.585 5.247 4.660 0.004 0.000 0.336 302 W C -2.192 174.522 176.519 0.325 0.000 1.173 302 W CA -1.305 56.151 57.345 0.184 0.000 1.185 302 W CB 0.874 30.441 29.460 0.178 0.000 1.425 302 W HN -0.004 nan 8.180 nan 0.000 0.536 303 V N 1.599 121.877 119.914 0.607 0.000 2.604 303 V HA 0.579 4.701 4.120 0.004 0.000 0.305 303 V C -0.329 176.082 176.094 0.529 0.000 1.043 303 V CA -0.802 61.770 62.300 0.453 0.000 0.888 303 V CB 1.369 33.269 31.823 0.128 0.000 0.995 303 V HN 0.575 nan 8.190 nan 0.000 0.429 304 S N 3.895 119.924 115.700 0.548 0.000 2.532 304 S HA 0.906 5.379 4.470 0.004 0.000 0.299 304 S C -0.900 173.841 174.600 0.235 0.000 1.105 304 S CA -0.489 57.831 58.200 0.200 0.000 1.018 304 S CB 1.181 64.451 63.200 0.117 0.000 1.021 304 S HN 0.726 nan 8.310 nan 0.000 0.483 305 F N 0.603 120.550 119.950 -0.005 0.000 2.626 305 F HA 0.653 5.182 4.527 0.004 0.000 0.311 305 F C -0.118 175.605 175.800 -0.128 0.000 1.088 305 F CA -1.296 56.689 58.000 -0.024 0.000 0.949 305 F CB 0.452 39.444 39.000 -0.014 0.000 1.322 305 F HN 0.262 nan 8.300 nan 0.000 0.461 309 N N 0.632 119.423 118.700 0.151 0.000 2.299 309 N HA 0.097 4.840 4.740 0.004 0.000 0.187 309 N C -0.025 175.556 175.510 0.118 0.000 1.099 309 N CA 0.517 53.640 53.050 0.122 0.000 0.867 309 N CB 0.721 39.250 38.487 0.070 0.000 0.974 309 N HN 0.054 nan 8.380 nan 0.000 0.477 310 L N 0.770 122.086 121.223 0.155 0.000 4.192 310 L HA -0.194 4.148 4.340 0.004 0.000 0.403 310 L C -0.468 176.486 176.870 0.140 0.000 1.163 310 L CA 0.638 55.540 54.840 0.102 0.000 0.937 310 L CB -2.212 39.849 42.059 0.003 0.000 2.134 310 L HN 0.140 nan 8.230 nan 0.000 0.754 311 E N -0.021 120.257 120.200 0.131 0.000 2.259 311 E HA 0.477 4.829 4.350 0.004 0.000 0.281 311 E C -0.162 176.533 176.600 0.157 0.000 1.037 311 E CA -0.254 56.192 56.400 0.077 0.000 0.854 311 E CB 0.651 30.360 29.700 0.015 0.000 1.051 311 E HN 0.352 nan 8.360 nan 0.000 0.409 312 Y N 0.188 120.521 120.300 0.054 0.000 2.602 312 Y HA 0.586 5.138 4.550 0.003 0.000 0.342 312 Y C -0.616 175.339 175.900 0.093 0.000 1.029 312 Y CA -1.238 56.922 58.100 0.101 0.000 1.080 312 Y CB 1.200 39.691 38.460 0.051 0.000 1.284 312 Y HN 0.295 nan 8.280 nan 0.000 0.485 313 Q N 2.566 122.573 119.800 0.345 0.000 2.397 313 Q HA 0.721 5.063 4.340 0.004 0.000 0.275 313 Q C -1.204 175.004 176.000 0.347 0.000 1.090 313 Q CA -1.086 54.899 55.803 0.304 0.000 0.809 313 Q CB 3.414 32.383 28.738 0.385 0.000 1.362 313 Q HN 0.816 nan 8.270 nan 0.000 0.431 314 I N -2.564 118.014 120.570 0.014 0.000 3.002 314 I HA 1.017 5.189 4.170 0.004 0.000 0.310 314 I C -0.086 175.509 176.117 -0.870 0.000 1.087 314 I CA -0.843 60.230 61.300 -0.379 0.000 1.017 314 I CB 2.435 40.265 38.000 -0.284 0.000 1.226 314 I HN 0.669 nan 8.210 nan 0.000 0.443 315 G N 1.450 109.526 108.800 -1.206 0.000 2.342 315 G HA2 0.470 4.432 3.960 0.004 0.000 0.297 315 G HA3 0.470 4.432 3.960 0.004 0.000 0.297 315 G C -2.463 171.893 174.900 -0.906 0.000 1.313 315 G CA -0.650 43.914 45.100 -0.892 0.000 0.830 315 G HN 0.561 nan 8.290 nan 0.000 0.506 316 Y N -0.492 119.510 120.300 -0.497 0.000 2.509 316 Y HA 0.628 5.180 4.550 0.003 0.000 0.341 316 Y C 0.918 176.763 175.900 -0.092 0.000 1.038 316 Y CA -0.797 57.130 58.100 -0.288 0.000 1.089 316 Y CB 1.821 40.118 38.460 -0.272 0.000 1.241 316 Y HN 0.416 nan 8.280 nan 0.000 0.468 317 I N 2.248 122.827 120.570 0.015 0.000 2.533 317 I HA -0.084 4.089 4.170 0.004 0.000 0.284 317 I C 0.346 176.412 176.117 -0.085 0.000 1.109 317 I CA 0.124 61.297 61.300 -0.212 0.000 1.412 317 I CB 0.507 38.337 38.000 -0.284 0.000 1.396 317 I HN 0.800 nan 8.210 nan 0.000 0.543 318 c N 3.213 121.748 118.600 -0.109 0.000 2.495 318 c HA -0.042 4.530 4.570 0.004 0.000 0.275 318 c C 1.772 175.803 174.090 -0.098 0.000 1.392 318 c CA -0.037 56.257 56.329 -0.058 0.000 1.766 318 c CB -0.809 41.685 42.510 -0.027 0.000 1.933 318 c HN 0.870 nan 8.230 nan 0.000 0.519 319 S N 1.011 116.628 115.700 -0.138 0.000 2.573 319 S HA 0.217 4.689 4.470 0.004 0.000 0.297 319 S C 1.343 175.712 174.600 -0.385 0.000 1.280 319 S CA 0.550 58.624 58.200 -0.209 0.000 1.061 319 S CB 0.576 63.656 63.200 -0.200 0.000 0.812 319 S HN 0.625 nan 8.310 nan 0.000 0.500 320 G N 3.143 111.672 108.800 -0.451 0.000 2.848 320 G HA2 0.102 4.064 3.960 0.004 0.000 0.208 320 G HA3 0.102 4.064 3.960 0.004 0.000 0.208 320 G C 0.170 174.459 174.900 -1.018 0.000 1.152 320 G CA -0.044 44.555 45.100 -0.835 0.000 0.789 320 G HN 0.647 nan 8.290 nan 0.000 0.531 321 V N 2.436 121.990 119.914 -0.600 0.000 2.276 321 V HA 0.275 4.397 4.120 0.004 0.000 0.249 321 V C -0.270 175.587 176.094 -0.395 0.000 1.160 321 V CA -0.848 61.202 62.300 -0.416 0.000 1.042 321 V CB -0.885 30.782 31.823 -0.260 0.000 1.224 321 V HN 0.177 nan 8.190 nan 0.000 0.496 322 F N 1.979 121.877 119.950 -0.086 0.000 2.484 322 F HA 0.443 4.972 4.527 0.004 0.000 0.360 322 F C 1.537 177.269 175.800 -0.113 0.000 1.101 322 F CA 0.194 58.142 58.000 -0.088 0.000 1.251 322 F CB 0.896 39.855 39.000 -0.069 0.000 1.132 322 F HN 0.446 nan 8.300 nan 0.000 0.570 323 G N 0.677 109.515 108.800 0.063 0.000 2.939 323 G HA2 -0.019 3.943 3.960 0.004 0.000 0.216 323 G HA3 -0.019 3.943 3.960 0.004 0.000 0.216 323 G C 0.053 174.925 174.900 -0.048 0.000 1.125 323 G CA -0.037 45.026 45.100 -0.062 0.000 0.766 323 G HN 0.514 nan 8.290 nan 0.000 0.541 324 D N 0.345 120.751 120.400 0.009 0.000 2.433 324 D HA 0.216 4.858 4.640 0.004 0.000 0.255 324 D C -0.572 175.740 176.300 0.019 0.000 1.226 324 D CA -0.421 53.581 54.000 0.002 0.000 1.015 324 D CB 0.796 41.599 40.800 0.004 0.000 1.091 324 D HN 0.066 nan 8.370 nan 0.000 0.527 325 N N 0.632 119.354 118.700 0.037 0.000 2.519 325 N HA 0.248 4.991 4.740 0.004 0.000 0.291 325 N C -2.989 172.593 175.510 0.120 0.000 1.107 325 N CA -1.289 51.809 53.050 0.081 0.000 0.904 325 N CB 2.471 41.028 38.487 0.117 0.000 1.500 325 N HN 0.109 nan 8.380 nan 0.000 0.510 326 P HA 0.359 nan 4.420 nan 0.000 0.276 326 P C -0.980 176.333 177.300 0.022 0.000 1.261 326 P CA -0.145 63.008 63.100 0.088 0.000 0.800 326 P CB 1.290 33.046 31.700 0.093 0.000 1.066 327 R N -1.265 119.229 120.500 -0.010 0.000 2.712 327 R HA 0.623 4.965 4.340 0.004 0.000 0.272 327 R C -3.061 173.183 176.300 -0.095 0.000 1.032 327 R CA -1.917 54.135 56.100 -0.080 0.000 0.874 327 R CB 0.555 30.845 30.300 -0.016 0.000 1.256 327 R HN 0.161 nan 8.270 nan 0.000 0.468 328 P HA 0.143 nan 4.420 nan 0.000 0.289 328 P C -0.835 176.484 177.300 0.030 0.000 1.299 328 P CA -0.546 62.478 63.100 -0.126 0.000 0.766 328 P CB 0.412 31.965 31.700 -0.246 0.000 1.226 329 N N 0.228 118.968 118.700 0.068 0.000 2.415 329 N HA 0.042 4.784 4.740 0.004 0.000 0.248 329 N C -0.172 175.499 175.510 0.268 0.000 1.271 329 N CA 0.210 53.337 53.050 0.129 0.000 0.913 329 N CB -0.378 38.155 38.487 0.077 0.000 1.129 329 N HN 0.333 nan 8.380 nan 0.000 0.444 330 D N -0.132 120.388 120.400 0.199 0.000 2.488 330 D HA 0.316 4.958 4.640 0.004 0.000 0.238 330 D C 0.835 177.202 176.300 0.110 0.000 1.138 330 D CA 0.644 54.710 54.000 0.109 0.000 0.873 330 D CB 0.639 41.445 40.800 0.009 0.000 1.183 330 D HN 0.587 nan 8.370 nan 0.000 0.458 331 G N 0.627 109.465 108.800 0.064 0.000 2.726 331 G HA2 0.235 4.197 3.960 0.004 0.000 0.198 331 G HA3 0.235 4.197 3.960 0.004 0.000 0.198 331 G C -0.906 173.990 174.900 -0.008 0.000 1.195 331 G CA -0.541 44.602 45.100 0.073 0.000 0.951 331 G HN 0.325 nan 8.290 nan 0.000 0.532 332 T N 1.450 116.042 114.554 0.063 0.000 2.779 332 T HA 0.503 4.855 4.350 0.004 0.000 0.296 332 T C 1.082 175.835 174.700 0.088 0.000 0.938 332 T CA 0.587 62.701 62.100 0.024 0.000 1.119 332 T CB 0.573 69.452 68.868 0.019 0.000 0.891 332 T HN 0.885 nan 8.240 nan 0.000 0.526 340 P HA 0.309 nan 4.420 nan 0.000 0.271 340 P C -0.040 176.859 177.300 -0.669 0.000 1.220 340 P CA -0.021 62.319 63.100 -1.266 0.000 0.768 340 P CB 1.368 32.392 31.700 -1.126 0.000 0.848 341 V N 3.986 123.639 119.914 -0.435 0.000 2.356 341 V HA 0.056 4.178 4.120 0.004 0.000 0.258 341 V C 1.478 177.364 176.094 -0.348 0.000 1.065 341 V CA 0.010 62.103 62.300 -0.345 0.000 0.935 341 V CB -0.195 31.437 31.823 -0.317 0.000 1.061 341 V HN 0.719 nan 8.190 nan 0.000 0.484 345 G N 0.582 109.333 108.800 -0.083 0.000 4.062 345 G HA2 0.463 4.425 3.960 0.004 0.000 0.171 345 G HA3 0.463 4.425 3.960 0.004 0.000 0.171 345 G C 0.429 175.326 174.900 -0.005 0.000 0.858 345 G CA 0.444 45.502 45.100 -0.070 0.000 0.924 345 G HN 1.240 nan 8.290 nan 0.000 0.359 346 A N -0.016 122.820 122.820 0.027 0.000 2.448 346 A HA 0.580 4.902 4.320 0.004 0.000 0.239 346 A C 0.539 178.215 177.584 0.153 0.000 1.080 346 A CA 1.037 53.120 52.037 0.077 0.000 0.779 346 A CB 0.210 19.259 19.000 0.082 0.000 1.026 346 A HN 1.702 nan 8.150 nan 0.000 0.499 347 Y N -0.353 119.937 120.300 -0.016 0.000 2.920 347 Y HA -0.036 4.517 4.550 0.003 0.000 0.465 347 Y C 0.673 176.584 175.900 0.017 0.000 1.213 347 Y CA 1.861 59.964 58.100 0.005 0.000 2.445 347 Y CB -1.103 37.371 38.460 0.024 0.000 1.249 347 Y HN 2.473 nan 8.280 nan 0.000 0.635 348 G N -1.228 107.341 108.800 -0.386 0.000 2.356 348 G HA2 0.525 4.487 3.960 0.004 0.000 0.288 348 G HA3 0.525 4.487 3.960 0.004 0.000 0.288 348 G C -2.041 172.653 174.900 -0.343 0.000 1.302 348 G CA -0.164 44.789 45.100 -0.245 0.000 0.887 348 G HN 1.555 nan 8.290 nan 0.000 0.521 349 V N -0.176 119.649 119.914 -0.148 0.000 3.012 349 V HA 0.727 4.849 4.120 0.004 0.000 0.307 349 V C -0.188 175.785 176.094 -0.201 0.000 1.166 349 V CA -0.786 61.463 62.300 -0.085 0.000 0.974 349 V CB 1.917 33.799 31.823 0.099 0.000 1.040 349 V HN 1.060 nan 8.190 nan 0.000 0.428 350 K N 3.159 123.222 120.400 -0.561 0.000 2.416 350 K HA 0.547 4.870 4.320 0.004 0.000 0.283 350 K C 0.065 176.552 176.600 -0.188 0.000 1.037 350 K CA 0.883 56.858 56.287 -0.522 0.000 0.995 350 K CB 0.557 32.463 32.500 -0.991 0.000 0.938 350 K HN 0.978 nan 8.250 nan 0.000 0.475 351 G N 2.733 111.495 108.800 -0.063 0.000 2.975 351 G HA2 0.700 4.662 3.960 0.004 0.000 0.291 351 G HA3 0.700 4.662 3.960 0.004 0.000 0.291 351 G C -1.507 173.456 174.900 0.106 0.000 1.334 351 G CA -0.876 44.246 45.100 0.036 0.000 0.843 351 G HN 0.645 nan 8.290 nan 0.000 0.548 352 F N -2.113 117.777 119.950 -0.100 0.000 2.741 352 F HA 0.873 5.402 4.527 0.003 0.000 0.313 352 F C -0.751 174.973 175.800 -0.127 0.000 1.153 352 F CA -1.311 56.606 58.000 -0.138 0.000 0.931 352 F CB 1.629 40.475 39.000 -0.257 0.000 1.335 352 F HN 0.582 nan 8.300 nan 0.000 0.460 353 S N 0.465 116.114 115.700 -0.085 0.000 2.537 353 S HA 0.647 5.119 4.470 0.004 0.000 0.271 353 S C -1.912 172.742 174.600 0.091 0.000 1.148 353 S CA -0.671 57.513 58.200 -0.028 0.000 0.868 353 S CB 1.453 64.736 63.200 0.138 0.000 1.115 353 S HN 0.576 nan 8.310 nan 0.000 0.461 354 F N 2.234 122.461 119.950 0.462 0.000 2.402 354 F HA 0.448 4.977 4.527 0.003 0.000 0.355 354 F C 0.424 176.447 175.800 0.372 0.000 1.123 354 F CA -0.699 57.499 58.000 0.330 0.000 1.021 354 F CB 1.238 40.462 39.000 0.374 0.000 1.160 354 F HN 0.347 nan 8.300 nan 0.000 0.451 355 K N 4.005 124.541 120.400 0.226 0.000 2.339 355 K HA 0.200 4.522 4.320 0.004 0.000 0.286 355 K C -1.672 174.864 176.600 -0.106 0.000 1.050 355 K CA -0.070 56.065 56.287 -0.254 0.000 0.956 355 K CB 0.386 32.176 32.500 -1.184 0.000 0.990 355 K HN 0.633 nan 8.250 nan 0.000 0.475 356 Y N 4.145 124.494 120.300 0.082 0.000 2.749 356 Y HA 0.241 4.793 4.550 0.004 0.000 0.343 356 Y C 0.808 176.766 175.900 0.095 0.000 1.015 356 Y CA 0.481 58.670 58.100 0.148 0.000 1.270 356 Y CB 1.442 40.103 38.460 0.336 0.000 1.097 356 Y HN 1.075 nan 8.280 nan 0.000 0.571 357 G N 2.371 111.195 108.800 0.040 0.000 2.561 357 G HA2 -0.395 3.568 3.960 0.004 0.000 0.289 357 G HA3 -0.395 3.568 3.960 0.004 0.000 0.289 357 G C 0.849 175.717 174.900 -0.054 0.000 1.169 357 G CA 0.563 45.666 45.100 0.004 0.000 0.980 357 G HN 0.513 nan 8.290 nan 0.000 0.550 358 N N 2.544 121.262 118.700 0.030 0.000 2.336 358 N HA 0.274 5.017 4.740 0.004 0.000 0.189 358 N C 1.026 176.591 175.510 0.092 0.000 1.113 358 N CA 1.087 54.179 53.050 0.069 0.000 0.858 358 N CB 0.268 38.800 38.487 0.075 0.000 0.970 358 N HN 0.842 nan 8.380 nan 0.000 0.471 359 G N -0.355 108.487 108.800 0.071 0.000 2.502 359 G HA2 0.518 4.480 3.960 0.004 0.000 0.305 359 G HA3 0.518 4.480 3.960 0.004 0.000 0.305 359 G C -0.919 174.056 174.900 0.125 0.000 1.190 359 G CA -0.280 44.765 45.100 -0.090 0.000 0.933 359 G HN 0.015 nan 8.290 nan 0.000 0.503 360 V N -0.074 119.827 119.914 -0.023 0.000 2.817 360 V HA 0.522 4.645 4.120 0.004 0.000 0.303 360 V C -1.813 174.462 176.094 0.302 0.000 1.151 360 V CA -1.091 61.405 62.300 0.326 0.000 0.929 360 V CB 1.743 33.818 31.823 0.420 0.000 1.030 360 V HN 0.767 nan 8.190 nan 0.000 0.427 361 W N 6.588 128.245 121.300 0.595 0.000 2.332 361 W HA 0.658 5.319 4.660 0.003 0.000 0.306 361 W C -0.027 176.596 176.519 0.173 0.000 1.149 361 W CA -0.307 57.340 57.345 0.505 0.000 1.271 361 W CB 1.268 31.167 29.460 0.733 0.000 1.243 361 W HN 0.412 nan 8.180 nan 0.000 0.459 362 I N 4.267 124.954 120.570 0.195 0.000 2.339 362 I HA 0.386 4.558 4.170 0.004 0.000 0.290 362 I C 0.872 176.741 176.117 -0.413 0.000 0.994 362 I CA -0.584 60.618 61.300 -0.163 0.000 1.191 362 I CB 1.015 38.900 38.000 -0.192 0.000 1.343 362 I HN 0.441 nan 8.210 nan 0.000 0.458 363 G N 6.349 114.611 108.800 -0.897 0.000 2.325 363 G HA2 0.702 4.665 3.960 0.004 0.000 0.298 363 G HA3 0.702 4.665 3.960 0.004 0.000 0.298 363 G C -0.541 173.809 174.900 -0.916 0.000 1.134 363 G CA -0.457 44.010 45.100 -1.055 0.000 0.876 363 G HN 0.771 nan 8.290 nan 0.000 0.452 364 R N 0.173 119.963 120.500 -1.184 0.000 2.734 364 R HA 0.654 4.996 4.340 0.004 0.000 0.271 364 R C -0.097 175.689 176.300 -0.857 0.000 1.021 364 R CA -0.792 54.850 56.100 -0.763 0.000 0.893 364 R CB 0.467 30.518 30.300 -0.414 0.000 1.244 364 R HN 0.547 nan 8.270 nan 0.000 0.464 365 T N -0.880 113.506 114.554 -0.280 0.000 2.802 365 T HA 0.178 4.530 4.350 0.004 0.000 0.305 365 T C 0.665 175.305 174.700 -0.100 0.000 1.053 365 T CA -0.391 61.680 62.100 -0.048 0.000 1.058 365 T CB 0.983 69.923 68.868 0.121 0.000 0.988 365 T HN 0.711 nan 8.240 nan 0.000 0.539 366 K N 0.401 120.788 120.400 -0.021 0.000 2.098 366 K HA 0.100 4.422 4.320 0.004 0.000 0.203 366 K C 1.474 178.071 176.600 -0.005 0.000 1.051 366 K CA 0.360 56.630 56.287 -0.029 0.000 0.957 366 K CB -0.047 32.452 32.500 -0.003 0.000 0.738 366 K HN 0.606 nan 8.250 nan 0.000 0.447 367 S N 0.208 115.920 115.700 0.021 0.000 2.576 367 S HA 0.016 4.488 4.470 0.004 0.000 0.276 367 S C 0.903 175.529 174.600 0.042 0.000 1.339 367 S CA -0.261 57.958 58.200 0.031 0.000 1.039 367 S CB 1.182 64.409 63.200 0.045 0.000 0.902 367 S HN 0.103 nan 8.310 nan 0.000 0.516 368 T N 3.959 118.536 114.554 0.039 0.000 3.067 368 T HA 0.123 4.476 4.350 0.004 0.000 0.257 368 T C 1.362 176.094 174.700 0.053 0.000 1.105 368 T CA 0.426 62.550 62.100 0.040 0.000 1.104 368 T CB -0.158 68.728 68.868 0.031 0.000 0.925 368 T HN 0.601 nan 8.240 nan 0.000 0.498 369 N N 0.783 119.523 118.700 0.068 0.000 2.571 369 N HA 0.101 4.844 4.740 0.004 0.000 0.195 369 N C 0.824 176.412 175.510 0.130 0.000 1.040 369 N CA 0.324 53.423 53.050 0.083 0.000 0.890 369 N CB 0.464 38.991 38.487 0.067 0.000 1.233 369 N HN 0.377 nan 8.380 nan 0.000 0.435 370 S N 0.058 115.850 115.700 0.152 0.000 2.689 370 S HA 0.504 4.976 4.470 0.004 0.000 0.306 370 S C -0.083 174.671 174.600 0.257 0.000 1.104 370 S CA -0.816 57.520 58.200 0.228 0.000 0.973 370 S CB 1.974 65.350 63.200 0.293 0.000 1.121 370 S HN 0.006 nan 8.310 nan 0.000 0.523 371 R N 1.329 122.031 120.500 0.338 0.000 3.710 371 R HA 0.382 4.724 4.340 0.004 0.000 0.201 371 R C -0.661 175.890 176.300 0.418 0.000 1.641 371 R CA 0.007 56.321 56.100 0.356 0.000 1.390 371 R CB -0.248 30.264 30.300 0.354 0.000 1.341 371 R HN 0.468 nan 8.270 nan 0.000 0.728 372 S N 0.619 116.482 115.700 0.273 0.000 2.532 372 S HA 0.726 5.198 4.470 0.004 0.000 0.299 372 S C 0.074 174.749 174.600 0.125 0.000 1.105 372 S CA -0.354 57.928 58.200 0.137 0.000 1.018 372 S CB 2.107 65.267 63.200 -0.066 0.000 1.021 372 S HN 0.796 nan 8.310 nan 0.000 0.483 373 G N 1.506 110.386 108.800 0.133 0.000 2.860 373 G HA2 0.001 3.964 3.960 0.004 0.000 0.553 373 G HA3 0.001 3.964 3.960 0.004 0.000 0.553 373 G C -1.181 173.904 174.900 0.310 0.000 1.439 373 G CA -0.490 44.706 45.100 0.159 0.000 0.879 373 G HN 0.830 nan 8.290 nan 0.000 0.545 374 F N 0.585 120.588 119.950 0.088 0.000 2.672 374 F HA 0.596 5.125 4.527 0.003 0.000 0.311 374 F C -0.509 175.319 175.800 0.046 0.000 1.113 374 F CA 0.007 58.054 58.000 0.078 0.000 0.996 374 F CB 1.799 40.887 39.000 0.148 0.000 1.286 374 F HN 1.010 nan 8.300 nan 0.000 0.441 375 E N 5.097 125.076 120.200 -0.369 0.000 2.366 375 E HA 0.511 4.864 4.350 0.004 0.000 0.278 375 E C -1.812 174.573 176.600 -0.359 0.000 0.923 375 E CA -1.195 55.084 56.400 -0.201 0.000 0.761 375 E CB 2.388 31.994 29.700 -0.157 0.000 1.231 375 E HN 0.365 nan 8.360 nan 0.000 0.443 376 M N 2.536 122.063 119.600 -0.121 0.000 2.264 376 M HA 0.486 4.968 4.480 0.004 0.000 0.352 376 M C -0.584 175.820 176.300 0.174 0.000 1.173 376 M CA -0.682 54.592 55.300 -0.043 0.000 1.075 376 M CB 0.607 33.186 32.600 -0.035 0.000 1.621 376 M HN 0.616 nan 8.290 nan 0.000 0.457 377 I N 2.253 122.911 120.570 0.147 0.000 2.466 377 I HA 0.318 4.490 4.170 0.004 0.000 0.289 377 I C -0.955 175.147 176.117 -0.025 0.000 1.026 377 I CA -0.525 60.748 61.300 -0.045 0.000 1.078 377 I CB 2.097 39.836 38.000 -0.436 0.000 1.249 377 I HN 0.704 nan 8.210 nan 0.000 0.429 378 W N 7.582 128.555 121.300 -0.546 0.000 2.342 378 W HA 0.293 4.955 4.660 0.003 0.000 0.310 378 W C -1.092 175.203 176.519 -0.373 0.000 1.128 378 W CA -0.269 56.506 57.345 -0.949 0.000 1.322 378 W CB 1.127 29.779 29.460 -1.347 0.000 1.251 378 W HN 0.460 nan 8.180 nan 0.000 0.439 379 D N 9.178 129.059 120.400 -0.865 0.000 2.461 379 D HA 0.203 4.845 4.640 0.004 0.000 0.240 379 D C -1.339 174.247 176.300 -1.191 0.000 1.094 379 D CA -2.499 51.043 54.000 -0.762 0.000 0.868 379 D CB 1.798 42.387 40.800 -0.350 0.000 1.062 379 D HN 0.161 nan 8.370 nan 0.000 0.530 380 P HA -0.098 nan 4.420 nan 0.000 0.223 380 P C 0.245 177.274 177.300 -0.452 0.000 1.144 380 P CA 0.924 63.389 63.100 -1.058 0.000 0.783 380 P CB -0.015 31.398 31.700 -0.478 0.000 0.771 381 N N -2.470 116.029 118.700 -0.335 0.000 2.194 381 N HA 0.140 4.882 4.740 0.004 0.000 0.231 381 N C 1.576 177.034 175.510 -0.086 0.000 1.247 381 N CA -0.188 52.775 53.050 -0.145 0.000 0.884 381 N CB -0.287 38.139 38.487 -0.100 0.000 1.146 381 N HN -0.163 nan 8.380 nan 0.000 0.516 382 G N -0.247 108.475 108.800 -0.131 0.000 2.598 382 G HA2 -0.189 3.773 3.960 0.004 0.000 0.215 382 G HA3 -0.189 3.773 3.960 0.004 0.000 0.215 382 G C 0.712 175.634 174.900 0.036 0.000 1.131 382 G CA -0.200 44.853 45.100 -0.077 0.000 0.785 382 G HN 0.477 nan 8.290 nan 0.000 0.539 383 W N 1.834 123.091 121.300 -0.071 0.000 2.436 383 W HA -0.093 4.569 4.660 0.003 0.000 0.284 383 W C 1.993 178.536 176.519 0.040 0.000 1.225 383 W CA 1.953 59.286 57.345 -0.020 0.000 1.271 383 W CB 0.184 29.610 29.460 -0.058 0.000 1.114 383 W HN 0.317 nan 8.180 nan 0.000 0.559 384 T N -3.515 111.146 114.554 0.179 0.000 2.964 384 T HA 0.139 4.491 4.350 0.004 0.000 0.249 384 T C 0.366 175.100 174.700 0.056 0.000 1.000 384 T CA -0.115 62.065 62.100 0.135 0.000 0.992 384 T CB 0.480 69.449 68.868 0.168 0.000 1.087 384 T HN -0.264 nan 8.240 nan 0.000 0.489 385 E N 1.239 121.451 120.200 0.019 0.000 2.214 385 E HA 0.411 4.763 4.350 0.004 0.000 0.274 385 E C -0.016 176.555 176.600 -0.048 0.000 0.977 385 E CA -0.244 56.147 56.400 -0.016 0.000 0.827 385 E CB 1.884 31.566 29.700 -0.030 0.000 1.130 385 E HN 0.020 nan 8.360 nan 0.000 0.394 386 T N 1.149 115.673 114.554 -0.050 0.000 3.060 386 T HA -0.010 4.342 4.350 0.004 0.000 0.249 386 T C 0.148 174.791 174.700 -0.095 0.000 1.079 386 T CA 0.077 62.137 62.100 -0.067 0.000 1.013 386 T CB -0.060 68.784 68.868 -0.040 0.000 0.975 386 T HN 0.534 nan 8.240 nan 0.000 0.518 387 D N 0.455 120.799 120.400 -0.092 0.000 2.371 387 D HA 0.127 4.769 4.640 0.004 0.000 0.242 387 D C 0.968 177.186 176.300 -0.137 0.000 1.218 387 D CA -0.241 53.698 54.000 -0.100 0.000 0.945 387 D CB 0.593 41.342 40.800 -0.086 0.000 1.137 387 D HN 0.055 nan 8.370 nan 0.000 0.464 388 S N -1.549 114.078 115.700 -0.122 0.000 2.575 388 S HA 0.187 4.659 4.470 0.004 0.000 0.237 388 S C 0.185 174.760 174.600 -0.042 0.000 0.975 388 S CA -0.492 57.639 58.200 -0.116 0.000 0.960 388 S CB -0.813 62.322 63.200 -0.108 0.000 0.822 388 S HN 0.560 nan 8.310 nan 0.000 0.472 389 S N 1.547 117.194 115.700 -0.089 0.000 2.585 389 S HA 0.810 5.282 4.470 0.004 0.000 0.277 389 S C -0.446 174.099 174.600 -0.092 0.000 1.241 389 S CA -0.824 57.277 58.200 -0.165 0.000 1.041 389 S CB 0.427 63.515 63.200 -0.188 0.000 0.987 389 S HN 0.641 nan 8.310 nan 0.000 0.512 390 F N -1.515 118.340 119.950 -0.160 0.000 2.685 390 F HA 0.768 5.297 4.527 0.003 0.000 0.315 390 F C 0.543 176.255 175.800 -0.147 0.000 1.126 390 F CA -1.126 56.751 58.000 -0.206 0.000 0.950 390 F CB 0.971 39.853 39.000 -0.195 0.000 1.360 390 F HN 0.423 nan 8.300 nan 0.000 0.469 391 S N -0.014 115.737 115.700 0.085 0.000 2.444 391 S HA 0.370 4.842 4.470 0.004 0.000 0.223 391 S C 0.319 175.072 174.600 0.255 0.000 1.054 391 S CA 0.625 58.883 58.200 0.097 0.000 0.947 391 S CB 0.359 63.646 63.200 0.146 0.000 0.850 391 S HN 0.410 nan 8.310 nan 0.000 0.527 395 Q N 3.630 123.586 119.800 0.259 0.000 2.341 395 Q HA 0.208 4.550 4.340 0.004 0.000 0.268 395 Q C -1.101 175.035 176.000 0.227 0.000 1.013 395 Q CA -0.747 55.228 55.803 0.286 0.000 0.798 395 Q CB 1.140 30.113 28.738 0.391 0.000 1.253 395 Q HN 0.468 nan 8.270 nan 0.000 0.457 396 D N 3.877 124.414 120.400 0.229 0.000 2.414 396 D HA 0.094 4.736 4.640 0.004 0.000 0.242 396 D C 0.427 176.919 176.300 0.319 0.000 1.129 396 D CA 0.362 54.492 54.000 0.217 0.000 0.885 396 D CB 1.306 42.218 40.800 0.185 0.000 1.198 396 D HN 0.571 nan 8.370 nan 0.000 0.437 397 I N 0.709 121.474 120.570 0.324 0.000 4.228 397 I HA 0.012 4.184 4.170 0.004 0.000 0.298 397 I C -0.189 176.222 176.117 0.490 0.000 1.206 397 I CA 0.412 61.986 61.300 0.457 0.000 1.322 397 I CB 0.847 39.029 38.000 0.304 0.000 1.411 397 I HN 0.122 nan 8.210 nan 0.000 0.454 398 V N 1.157 121.285 119.914 0.357 0.000 2.686 398 V HA 0.723 4.845 4.120 0.004 0.000 0.306 398 V C -0.226 175.954 176.094 0.143 0.000 1.065 398 V CA -1.243 61.208 62.300 0.250 0.000 0.894 398 V CB 1.562 33.560 31.823 0.293 0.000 1.004 398 V HN 0.135 nan 8.190 nan 0.000 0.424 399 A N 3.329 126.176 122.820 0.045 0.000 2.386 399 A HA 0.530 4.852 4.320 0.004 0.000 0.248 399 A C 1.186 178.760 177.584 -0.016 0.000 1.082 399 A CA -0.047 51.990 52.037 0.000 0.000 0.789 399 A CB -0.011 18.957 19.000 -0.054 0.000 1.025 399 A HN 1.076 nan 8.150 nan 0.000 0.490 400 I N 0.866 121.418 120.570 -0.029 0.000 2.399 400 I HA -0.227 3.945 4.170 0.004 0.000 0.254 400 I C 1.940 177.966 176.117 -0.152 0.000 1.146 400 I CA 2.222 63.484 61.300 -0.064 0.000 1.412 400 I CB -1.527 36.442 38.000 -0.052 0.000 1.076 400 I HN 0.608 nan 8.210 nan 0.000 0.432 401 T N -2.705 111.759 114.554 -0.150 0.000 3.160 401 T HA 0.099 4.451 4.350 0.004 0.000 0.257 401 T C 0.500 175.017 174.700 -0.304 0.000 1.147 401 T CA 0.114 62.086 62.100 -0.214 0.000 1.064 401 T CB -0.579 68.206 68.868 -0.138 0.000 0.949 401 T HN 0.366 nan 8.240 nan 0.000 0.526 402 D N 0.172 120.422 120.400 -0.249 0.000 2.457 402 D HA 0.279 4.921 4.640 0.004 0.000 0.240 402 D C -0.910 175.284 176.300 -0.176 0.000 1.041 402 D CA -0.669 53.197 54.000 -0.223 0.000 0.861 402 D CB 1.426 42.198 40.800 -0.046 0.000 1.394 402 D HN 0.352 nan 8.370 nan 0.000 0.473 403 W N 1.511 122.863 121.300 0.086 0.000 2.216 403 W HA 0.197 4.860 4.660 0.004 0.000 0.326 403 W C 1.317 177.922 176.519 0.142 0.000 1.319 403 W CA -0.252 57.155 57.345 0.102 0.000 1.213 403 W CB 0.733 30.238 29.460 0.075 0.000 1.171 403 W HN 0.266 nan 8.180 nan 0.000 0.557 404 S N 1.725 117.683 115.700 0.430 0.000 2.993 404 S HA 0.984 5.456 4.470 0.004 0.000 0.281 404 S C 0.141 174.956 174.600 0.359 0.000 1.033 404 S CA -0.200 58.217 58.200 0.361 0.000 0.950 404 S CB 1.606 65.034 63.200 0.380 0.000 1.349 404 S HN 0.811 nan 8.310 nan 0.000 0.652 405 G N -0.724 108.293 108.800 0.362 0.000 2.593 405 G HA2 0.333 4.295 3.960 0.004 0.000 0.103 405 G HA3 0.333 4.295 3.960 0.004 0.000 0.103 405 G C -1.620 173.583 174.900 0.504 0.000 1.103 405 G CA -0.689 44.646 45.100 0.392 0.000 1.109 405 G HN 0.531 nan 8.290 nan 0.000 0.516 406 Y N 1.821 122.301 120.300 0.301 0.000 2.652 406 Y HA 0.468 5.020 4.550 0.003 0.000 0.344 406 Y C 1.230 177.292 175.900 0.271 0.000 1.254 406 Y CA -0.120 58.184 58.100 0.340 0.000 1.480 406 Y CB 0.926 39.677 38.460 0.486 0.000 1.345 406 Y HN 0.721 nan 8.280 nan 0.000 0.617 407 S N 0.387 116.148 115.700 0.101 0.000 2.579 407 S HA 0.947 5.420 4.470 0.004 0.000 0.272 407 S C -0.548 173.594 174.600 -0.764 0.000 1.141 407 S CA -0.361 57.589 58.200 -0.417 0.000 0.843 407 S CB 2.196 65.409 63.200 0.021 0.000 1.122 407 S HN 1.027 nan 8.310 nan 0.000 0.468 408 G N 0.530 108.375 108.800 -1.591 0.000 2.677 408 G HA2 0.613 4.575 3.960 0.004 0.000 0.291 408 G HA3 0.613 4.575 3.960 0.004 0.000 0.291 408 G C -0.828 173.502 174.900 -0.950 0.000 1.435 408 G CA -0.424 44.088 45.100 -0.979 0.000 0.826 408 G HN 1.374 nan 8.290 nan 0.000 0.491 409 S N -0.651 114.824 115.700 -0.375 0.000 2.565 409 S HA 0.810 5.282 4.470 0.004 0.000 0.274 409 S C -0.392 174.433 174.600 0.376 0.000 1.309 409 S CA -0.488 57.625 58.200 -0.145 0.000 1.043 409 S CB 0.882 64.023 63.200 -0.099 0.000 0.939 409 S HN 1.422 nan 8.310 nan 0.000 0.504 410 F N 0.006 120.128 119.950 0.287 0.000 2.650 410 F HA 0.927 5.456 4.527 0.003 0.000 0.320 410 F C -0.733 175.243 175.800 0.293 0.000 1.091 410 F CA -1.312 56.897 58.000 0.348 0.000 0.962 410 F CB 0.571 39.820 39.000 0.414 0.000 1.363 410 F HN 0.484 nan 8.300 nan 0.000 0.482 411 V N 0.512 120.628 119.914 0.336 0.000 4.504 411 V HA 0.586 4.708 4.120 0.004 0.000 0.298 411 V C 0.208 176.404 176.094 0.170 0.000 1.446 411 V CA 0.039 62.423 62.300 0.140 0.000 0.890 411 V CB 1.459 33.403 31.823 0.201 0.000 1.281 411 V HN 1.264 nan 8.190 nan 0.000 0.461 412 L N -0.808 120.452 121.223 0.061 0.000 2.198 412 L HA -0.220 4.123 4.340 0.004 0.000 0.476 412 L C 1.448 178.337 176.870 0.032 0.000 0.710 412 L CA 3.079 57.947 54.840 0.047 0.000 3.209 412 L CB -1.666 40.425 42.059 0.053 0.000 0.666 412 L HN 0.909 nan 8.230 nan 0.000 0.766 413 T N -2.815 111.754 114.554 0.025 0.000 3.044 413 T HA 0.513 4.865 4.350 0.004 0.000 0.255 413 T C 1.897 176.601 174.700 0.006 0.000 1.073 413 T CA 1.233 63.340 62.100 0.012 0.000 1.125 413 T CB 0.384 69.249 68.868 -0.004 0.000 0.908 413 T HN 1.960 nan 8.240 nan 0.000 0.480 414 G N 1.052 109.858 108.800 0.009 0.000 2.199 414 G HA2 -0.199 3.763 3.960 0.004 0.000 0.254 414 G HA3 -0.199 3.763 3.960 0.004 0.000 0.254 414 G C -0.044 174.854 174.900 -0.003 0.000 0.982 414 G CA 0.137 45.240 45.100 0.005 0.000 0.632 414 G HN 0.535 nan 8.290 nan 0.000 0.529 415 L N 1.753 122.970 121.223 -0.010 0.000 2.473 415 L HA 0.333 4.675 4.340 0.004 0.000 0.265 415 L C 1.630 178.490 176.870 -0.016 0.000 1.243 415 L CA 0.776 55.604 54.840 -0.020 0.000 0.822 415 L CB 0.504 42.543 42.059 -0.033 0.000 1.101 415 L HN 0.405 nan 8.230 nan 0.000 0.507 416 D N -1.210 119.178 120.400 -0.020 0.000 2.340 416 D HA 0.054 4.697 4.640 0.004 0.000 0.217 416 D C 0.084 176.372 176.300 -0.020 0.000 1.081 416 D CA -0.142 53.848 54.000 -0.016 0.000 0.842 416 D CB -0.244 40.547 40.800 -0.016 0.000 0.934 416 D HN 0.435 nan 8.370 nan 0.000 0.511 417 c N -1.205 117.379 118.600 -0.027 0.000 3.171 417 c HA 0.728 5.300 4.570 0.004 0.000 0.308 417 c C -0.047 174.021 174.090 -0.038 0.000 1.334 417 c CA -1.460 54.848 56.329 -0.034 0.000 1.473 417 c CB 0.562 43.045 42.510 -0.044 0.000 1.866 417 c HN 0.101 nan 8.230 nan 0.000 0.465 418 I N 2.239 122.785 120.570 -0.040 0.000 2.352 418 I HA 0.337 4.509 4.170 0.004 0.000 0.290 418 I C 0.709 176.770 176.117 -0.093 0.000 1.036 418 I CA 0.137 61.413 61.300 -0.039 0.000 1.336 418 I CB 0.548 38.543 38.000 -0.008 0.000 1.407 418 I HN 0.735 nan 8.210 nan 0.000 0.497 419 R N 9.424 129.858 120.500 -0.111 0.000 2.254 419 R HA 0.390 4.732 4.340 0.004 0.000 0.318 419 R C -2.533 173.607 176.300 -0.266 0.000 1.031 419 R CA -1.477 54.509 56.100 -0.190 0.000 0.905 419 R CB 0.973 31.164 30.300 -0.181 0.000 1.050 419 R HN 0.264 nan 8.270 nan 0.000 0.456 420 P HA 0.177 nan 4.420 nan 0.000 0.281 420 P C -0.868 176.216 177.300 -0.360 0.000 1.252 420 P CA -0.394 62.341 63.100 -0.609 0.000 0.778 420 P CB 1.074 32.051 31.700 -1.204 0.000 0.895 421 c N 3.500 121.871 118.600 -0.382 0.000 3.080 421 c HA 0.821 5.393 4.570 0.004 0.000 0.307 421 c C -0.345 173.549 174.090 -0.327 0.000 1.311 421 c CA -0.439 55.584 56.329 -0.510 0.000 1.533 421 c CB 1.238 42.846 42.510 -1.503 0.000 1.970 421 c HN 0.698 nan 8.230 nan 0.000 0.467 422 F N 0.025 119.799 119.950 -0.293 0.000 2.626 422 F HA 0.894 5.423 4.527 0.003 0.000 0.311 422 F C -1.113 174.814 175.800 0.213 0.000 1.088 422 F CA -1.109 56.703 58.000 -0.313 0.000 0.949 422 F CB 1.006 39.400 39.000 -1.010 0.000 1.322 422 F HN 0.831 nan 8.300 nan 0.000 0.461 423 W N 1.697 123.177 121.300 0.299 0.000 2.781 423 W HA 0.842 5.504 4.660 0.003 0.000 0.345 423 W C -2.226 174.426 176.519 0.222 0.000 1.085 423 W CA -1.579 55.898 57.345 0.219 0.000 1.198 423 W CB 0.996 30.579 29.460 0.205 0.000 1.423 423 W HN 0.521 nan 8.180 nan 0.000 0.532 424 V N 1.607 121.801 119.914 0.468 0.000 2.588 424 V HA 0.185 4.307 4.120 0.004 0.000 0.304 424 V C -0.074 176.313 176.094 0.488 0.000 1.042 424 V CA -0.852 61.619 62.300 0.284 0.000 0.877 424 V CB 1.549 33.321 31.823 -0.084 0.000 0.996 424 V HN 0.635 nan 8.190 nan 0.000 0.425 425 E N 4.725 125.276 120.200 0.585 0.000 2.289 425 E HA 0.413 4.765 4.350 0.004 0.000 0.278 425 E C -1.294 175.486 176.600 0.299 0.000 1.032 425 E CA -0.520 56.129 56.400 0.415 0.000 0.854 425 E CB 0.992 30.966 29.700 0.457 0.000 1.046 425 E HN 0.652 nan 8.360 nan 0.000 0.409 426 L N 6.922 128.286 121.223 0.235 0.000 2.335 426 L HA 0.391 4.733 4.340 0.004 0.000 0.268 426 L C -0.169 176.818 176.870 0.195 0.000 1.037 426 L CA -0.558 54.422 54.840 0.234 0.000 0.895 426 L CB 0.497 42.692 42.059 0.226 0.000 1.266 426 L HN 0.514 nan 8.230 nan 0.000 0.439 427 I N 3.550 124.228 120.570 0.179 0.000 2.529 427 I HA 0.299 4.471 4.170 0.004 0.000 0.284 427 I C 0.223 176.332 176.117 -0.014 0.000 1.082 427 I CA -0.211 61.133 61.300 0.073 0.000 1.406 427 I CB 0.415 38.428 38.000 0.021 0.000 1.405 427 I HN 0.489 nan 8.210 nan 0.000 0.548 428 R N 4.031 124.495 120.500 -0.061 0.000 2.744 428 R HA 0.756 5.098 4.340 0.004 0.000 0.279 428 R C 0.120 176.162 176.300 -0.431 0.000 0.977 428 R CA -0.407 55.576 56.100 -0.196 0.000 0.906 428 R CB 1.560 31.866 30.300 0.010 0.000 1.197 428 R HN 0.922 nan 8.270 nan 0.000 0.463 429 G N 1.945 110.333 108.800 -0.687 0.000 2.475 429 G HA2 -0.218 3.744 3.960 0.004 0.000 0.223 429 G HA3 -0.218 3.744 3.960 0.004 0.000 0.223 429 G C -0.904 173.634 174.900 -0.604 0.000 1.201 429 G CA -0.762 43.791 45.100 -0.912 0.000 0.962 429 G HN 0.409 nan 8.290 nan 0.000 0.586 430 R N 1.625 121.832 120.500 -0.489 0.000 2.694 430 R HA 0.327 4.669 4.340 0.004 0.000 0.268 430 R C -1.197 174.941 176.300 -0.269 0.000 1.061 430 R CA -0.869 55.036 56.100 -0.324 0.000 1.133 430 R CB 0.433 30.598 30.300 -0.225 0.000 1.020 430 R HN 0.449 nan 8.270 nan 0.000 0.475 431 P HA 0.027 nan 4.420 nan 0.000 0.235 431 P C 0.400 177.556 177.300 -0.240 0.000 1.177 431 P CA 0.620 63.600 63.100 -0.199 0.000 0.785 431 P CB 0.449 32.067 31.700 -0.137 0.000 0.885 432 K N 0.223 120.406 120.400 -0.361 0.000 2.228 432 K HA 0.080 4.402 4.320 0.004 0.000 0.202 432 K C 0.988 177.393 176.600 -0.325 0.000 1.051 432 K CA 0.755 56.800 56.287 -0.402 0.000 0.960 432 K CB 0.281 32.249 32.500 -0.887 0.000 0.743 432 K HN 0.390 nan 8.250 nan 0.000 0.458 436 T N -0.817 113.544 114.554 -0.322 0.000 2.858 436 T HA 0.756 5.108 4.350 0.004 0.000 0.285 436 T C 1.088 175.621 174.700 -0.279 0.000 1.052 436 T CA -0.792 61.064 62.100 -0.406 0.000 1.009 436 T CB 0.948 69.178 68.868 -1.064 0.000 1.241 436 T HN 0.911 nan 8.240 nan 0.000 0.542 437 I N -2.311 118.180 120.570 -0.131 0.000 3.883 437 I HA 0.435 4.607 4.170 0.004 0.000 0.326 437 I C 0.195 176.352 176.117 0.067 0.000 1.283 437 I CA -0.837 60.468 61.300 0.008 0.000 1.161 437 I CB -0.015 38.051 38.000 0.110 0.000 1.012 437 I HN 0.609 nan 8.210 nan 0.000 0.421 438 W N 0.683 121.943 121.300 -0.066 0.000 2.975 438 W HA 0.707 5.369 4.660 0.003 0.000 0.342 438 W C -1.459 175.002 176.519 -0.097 0.000 1.168 438 W CA -1.049 56.257 57.345 -0.066 0.000 1.141 438 W CB 0.712 30.136 29.460 -0.060 0.000 1.445 438 W HN -0.333 nan 8.180 nan 0.000 0.560 439 T N 1.886 116.583 114.554 0.237 0.000 2.881 439 T HA 0.471 4.823 4.350 0.004 0.000 0.290 439 T C -0.971 173.918 174.700 0.315 0.000 1.000 439 T CA -0.246 61.921 62.100 0.112 0.000 0.978 439 T CB 2.043 70.903 68.868 -0.012 0.000 0.997 439 T HN 0.521 nan 8.240 nan 0.000 0.443 440 S N 1.127 117.036 115.700 0.348 0.000 2.705 440 S HA 0.922 5.394 4.470 0.004 0.000 0.280 440 S C -1.009 173.679 174.600 0.148 0.000 1.174 440 S CA -0.489 57.850 58.200 0.232 0.000 0.823 440 S CB 1.734 65.054 63.200 0.200 0.000 1.162 440 S HN 1.058 nan 8.310 nan 0.000 0.487 441 G N 0.925 109.779 108.800 0.089 0.000 2.667 441 G HA2 0.589 4.551 3.960 0.004 0.000 0.298 441 G HA3 0.589 4.551 3.960 0.004 0.000 0.298 441 G C -0.776 174.154 174.900 0.051 0.000 1.377 441 G CA -0.204 44.945 45.100 0.082 0.000 0.964 441 G HN 1.034 nan 8.290 nan 0.000 0.493 442 S N -0.463 115.284 115.700 0.079 0.000 2.747 442 S HA 0.878 5.350 4.470 0.004 0.000 0.300 442 S C 0.183 174.830 174.600 0.078 0.000 1.121 442 S CA -0.073 58.157 58.200 0.051 0.000 0.995 442 S CB 1.731 64.973 63.200 0.071 0.000 1.113 442 S HN 1.654 nan 8.310 nan 0.000 0.547 443 S N -0.030 115.701 115.700 0.053 0.000 2.570 443 S HA 0.795 5.268 4.470 0.004 0.000 0.286 443 S C -0.470 174.183 174.600 0.088 0.000 1.099 443 S CA -1.010 57.248 58.200 0.097 0.000 0.913 443 S CB 0.700 63.925 63.200 0.042 0.000 1.085 443 S HN 1.133 nan 8.310 nan 0.000 0.480 444 I N -0.591 120.064 120.570 0.142 0.000 2.892 444 I HA 0.920 5.092 4.170 0.004 0.000 0.306 444 I C -0.515 175.649 176.117 0.078 0.000 1.078 444 I CA -0.925 60.410 61.300 0.058 0.000 1.032 444 I CB 2.288 40.374 38.000 0.142 0.000 1.229 444 I HN 0.877 nan 8.210 nan 0.000 0.435 445 S N 2.347 117.950 115.700 -0.162 0.000 2.579 445 S HA 0.827 5.299 4.470 0.004 0.000 0.272 445 S C -1.375 172.917 174.600 -0.513 0.000 1.141 445 S CA -0.607 57.555 58.200 -0.063 0.000 0.843 445 S CB 1.848 65.217 63.200 0.281 0.000 1.122 445 S HN 0.586 nan 8.310 nan 0.000 0.468 446 F N -0.355 119.383 119.950 -0.353 0.000 2.601 446 F HA 0.689 5.218 4.527 0.003 0.000 0.309 446 F C -0.337 175.331 175.800 -0.221 0.000 1.089 446 F CA -0.765 57.025 58.000 -0.350 0.000 0.940 446 F CB 2.005 40.615 39.000 -0.650 0.000 1.273 446 F HN 0.832 nan 8.300 nan 0.000 0.450 447 c N 1.248 119.908 118.600 0.101 0.000 2.507 447 c HA 0.754 5.326 4.570 0.004 0.000 0.319 447 c C 0.598 174.689 174.090 0.001 0.000 1.208 447 c CA -1.005 55.306 56.329 -0.031 0.000 1.619 447 c CB 1.326 43.649 42.510 -0.311 0.000 2.230 447 c HN 1.030 nan 8.230 nan 0.000 0.492 448 G N 1.823 110.471 108.800 -0.254 0.000 2.343 448 G HA2 0.463 4.425 3.960 0.004 0.000 0.254 448 G HA3 0.463 4.425 3.960 0.004 0.000 0.254 448 G C -0.680 173.882 174.900 -0.563 0.000 1.277 448 G CA 0.242 44.803 45.100 -0.898 0.000 0.909 448 G HN 0.659 nan 8.290 nan 0.000 0.502 449 V N 2.660 122.230 119.914 -0.572 0.000 2.841 449 V HA 0.289 4.411 4.120 0.004 0.000 0.310 449 V C -0.069 175.832 176.094 -0.321 0.000 1.090 449 V CA -0.913 61.186 62.300 -0.335 0.000 0.930 449 V CB 2.347 34.049 31.823 -0.202 0.000 1.014 449 V HN 0.722 nan 8.190 nan 0.000 0.425 450 N N 1.814 120.379 118.700 -0.225 0.000 2.320 450 N HA 0.184 4.926 4.740 0.004 0.000 0.237 450 N C 0.117 175.552 175.510 -0.125 0.000 1.129 450 N CA 0.183 53.121 53.050 -0.186 0.000 0.854 450 N CB 0.287 38.678 38.487 -0.160 0.000 1.083 450 N HN 0.814 nan 8.380 nan 0.000 0.504 451 S N -2.033 113.601 115.700 -0.110 0.000 2.841 451 S HA 0.472 4.944 4.470 0.004 0.000 0.318 451 S C -0.587 173.986 174.600 -0.046 0.000 1.127 451 S CA -0.942 57.219 58.200 -0.065 0.000 0.883 451 S CB 1.036 64.207 63.200 -0.047 0.000 1.271 451 S HN -0.070 nan 8.310 nan 0.000 0.567 452 D N 2.012 122.403 120.400 -0.015 0.000 2.443 452 D HA 0.474 5.116 4.640 0.004 0.000 0.239 452 D C 0.347 176.669 176.300 0.036 0.000 1.136 452 D CA 0.640 54.647 54.000 0.012 0.000 0.879 452 D CB 0.897 41.709 40.800 0.020 0.000 1.195 452 D HN 0.737 nan 8.370 nan 0.000 0.443 453 T N -2.335 112.261 114.554 0.071 0.000 2.804 453 T HA 0.699 5.051 4.350 0.004 0.000 0.290 453 T C -0.697 174.105 174.700 0.170 0.000 1.099 453 T CA -0.934 61.245 62.100 0.131 0.000 1.011 453 T CB 1.656 70.611 68.868 0.144 0.000 1.291 453 T HN 0.189 nan 8.240 nan 0.000 0.523 454 V N -0.299 119.767 119.914 0.254 0.000 2.932 454 V HA 0.757 4.879 4.120 0.004 0.000 0.307 454 V C 0.215 176.544 176.094 0.391 0.000 1.147 454 V CA -0.138 62.316 62.300 0.256 0.000 0.951 454 V CB 1.817 33.737 31.823 0.162 0.000 1.031 454 V HN 1.445 nan 8.190 nan 0.000 0.426 455 G N 3.321 112.315 108.800 0.323 0.000 2.503 455 G HA2 0.528 4.491 3.960 0.004 0.000 0.257 455 G HA3 0.528 4.491 3.960 0.004 0.000 0.257 455 G C -1.288 173.827 174.900 0.359 0.000 1.214 455 G CA 0.125 45.446 45.100 0.369 0.000 0.839 455 G HN 0.904 nan 8.290 nan 0.000 0.559 456 W N -0.503 120.804 121.300 0.011 0.000 2.733 456 W HA 0.577 5.239 4.660 0.003 0.000 0.441 456 W C -0.926 175.415 176.519 -0.296 0.000 1.036 456 W CA -0.933 56.201 57.345 -0.351 0.000 1.208 456 W CB 1.099 30.002 29.460 -0.929 0.000 1.454 456 W HN 0.641 nan 8.180 nan 0.000 0.610 457 S N 1.610 116.876 115.700 -0.723 0.000 2.552 457 S HA 0.556 5.028 4.470 0.004 0.000 0.314 457 S C -1.412 172.795 174.600 -0.654 0.000 1.099 457 S CA -0.434 57.481 58.200 -0.474 0.000 1.070 457 S CB 0.291 63.243 63.200 -0.413 0.000 0.998 457 S HN 0.309 nan 8.310 nan 0.000 0.474 458 W N 6.866 128.192 121.300 0.044 0.000 2.149 458 W HA 0.290 4.953 4.660 0.004 0.000 0.291 458 W C -2.630 173.938 176.519 0.082 0.000 0.875 458 W CA -1.748 55.637 57.345 0.068 0.000 1.885 458 W CB 0.731 30.333 29.460 0.238 0.000 2.062 458 W HN 0.521 nan 8.180 nan 0.000 0.391 459 P HA 0.083 nan 4.420 nan 0.000 0.279 459 P C 0.673 178.067 177.300 0.157 0.000 1.276 459 P CA 0.024 63.210 63.100 0.144 0.000 0.801 459 P CB 1.754 33.484 31.700 0.050 0.000 1.127 460 D N 0.330 120.833 120.400 0.171 0.000 2.104 460 D HA -0.121 4.521 4.640 0.004 0.000 0.194 460 D C 1.402 177.789 176.300 0.145 0.000 0.994 460 D CA 2.618 56.719 54.000 0.169 0.000 0.830 460 D CB -0.735 40.182 40.800 0.195 0.000 0.959 460 D HN 0.680 nan 8.370 nan 0.000 0.452 461 G N -0.835 108.046 108.800 0.134 0.000 2.159 461 G HA2 -0.187 3.775 3.960 0.004 0.000 0.256 461 G HA3 -0.187 3.775 3.960 0.004 0.000 0.256 461 G C 0.346 175.331 174.900 0.141 0.000 0.977 461 G CA 0.528 45.696 45.100 0.113 0.000 0.652 461 G HN 0.771 nan 8.290 nan 0.000 0.531 462 A N 0.267 123.197 122.820 0.183 0.000 2.340 462 A HA 0.659 4.981 4.320 0.004 0.000 0.268 462 A C 0.462 178.190 177.584 0.241 0.000 1.100 462 A CA 0.344 52.529 52.037 0.246 0.000 0.803 462 A CB 0.318 19.506 19.000 0.314 0.000 1.043 462 A HN 0.984 nan 8.150 nan 0.000 0.488 463 E N 2.776 123.145 120.200 0.281 0.000 2.109 463 E HA 0.559 4.911 4.350 0.004 0.000 0.278 463 E C -1.068 175.735 176.600 0.339 0.000 0.954 463 E CA -0.532 56.014 56.400 0.243 0.000 0.779 463 E CB 0.811 30.615 29.700 0.173 0.000 1.093 463 E HN 0.515 nan 8.360 nan 0.000 0.401 464 L N 3.552 124.911 121.223 0.227 0.000 2.375 464 L HA 0.532 4.874 4.340 0.004 0.000 0.268 464 L C -1.455 175.509 176.870 0.157 0.000 1.058 464 L CA -2.142 52.808 54.840 0.184 0.000 0.803 464 L CB 0.361 42.413 42.059 -0.012 0.000 1.212 464 L HN 0.600 nan 8.230 nan 0.000 0.451 465 P HA 0.354 nan 4.420 nan 0.000 0.282 465 P C -1.017 176.571 177.300 0.481 0.000 1.287 465 P CA -0.376 62.844 63.100 0.200 0.000 0.792 465 P CB 0.739 32.513 31.700 0.124 0.000 1.163 466 F N -1.068 119.036 119.950 0.255 0.000 2.410 466 F HA 0.204 4.733 4.527 0.003 0.000 0.324 466 F C 2.155 178.029 175.800 0.124 0.000 1.093 466 F CA -1.042 57.072 58.000 0.190 0.000 1.028 466 F CB -0.422 38.702 39.000 0.206 0.000 1.309 466 F HN 0.237 nan 8.300 nan 0.000 0.499 467 T N 1.017 115.695 114.554 0.206 0.000 2.721 467 T HA -0.093 4.259 4.350 0.004 0.000 0.268 467 T C 0.686 175.468 174.700 0.137 0.000 1.038 467 T CA 1.780 63.946 62.100 0.110 0.000 1.145 467 T CB -0.394 68.487 68.868 0.023 0.000 0.858 467 T HN 0.418 nan 8.240 nan 0.000 0.459 468 I N 0.000 120.687 120.570 0.195 0.000 2.984 468 I HA 0.000 4.172 4.170 0.004 0.000 0.288 468 I CA 0.000 61.415 61.300 0.192 0.000 1.566 468 I CB 0.000 38.092 38.000 0.154 0.000 1.214 468 I HN 0.000 nan 8.210 nan 0.000 0.494