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 1ivf_1_A DATA FIRST_RESID 82 DATA SEQUENCE VEYRNWSKPQ cQITGFAPFS KDNSIRLSAG GDIWVTREPY VScDPVKcYQ DATA SEQUENCE FALGQGTTLD NKHSNDTVHD RIPHRTLLMN ELGVPFHLGT RQVcIAWSSS DATA SEQUENCE ScHDGKAWLH VcITGDDKNA TASFIYDGRL VDSIGSWSQN ILRTQESEcV DATA SEQUENCE cINGTcTVVM TDGSASGRAD TRILFIEEGK IVHISPLAGS AQHVEEcScY DATA SEQUENCE PRYPGVRcIc RDNWKGSNRP VVDINMEDYS IDSSYVcSGL VGDTPRNDDR DATA SEQUENCE SSNSNcRDPN NERGTQGVKG WAFDNGNDLW MGRTISKDLR SGYETFKVIG DATA SEQUENCE GWSTPNSKSQ INRQVIVDSD NRSGYSGIFS VEGKScINRc FYVELIRGRK DATA SEQUENCE QETRVWWTSN SIVVFcGTSG TYGTGSWPDG ANINFMPI 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 82 V HA 0.000 nan 4.120 nan 0.000 0.244 82 V C 0.000 176.024 176.094 -0.117 0.000 1.182 82 V CA 0.000 62.254 62.300 -0.077 0.000 1.235 82 V CB 0.000 31.782 31.823 -0.068 0.000 1.184 83 E N -0.658 119.478 120.200 -0.106 0.000 2.312 83 E HA 0.222 nan 4.350 nan 0.000 0.267 83 E C -1.821 174.743 176.600 -0.059 0.000 0.894 83 E CA -0.948 55.395 56.400 -0.096 0.000 0.773 83 E CB 3.142 32.820 29.700 -0.037 0.000 1.241 83 E HN 0.023 8.333 8.360 -0.085 0.000 0.432 84 Y N -0.659 119.637 120.300 -0.007 0.000 2.379 84 Y HA -0.105 nan 4.550 nan 0.000 0.337 84 Y C -0.010 175.857 175.900 -0.056 0.000 1.238 84 Y CA 0.509 58.608 58.100 -0.002 0.000 1.405 84 Y CB 1.013 39.490 38.460 0.028 0.000 1.310 84 Y HN 0.181 8.544 8.280 0.139 0.000 0.569 85 R N 1.601 122.146 120.500 0.076 0.000 2.308 85 R HA 0.095 nan 4.340 nan 0.000 0.305 85 R C 0.223 176.498 176.300 -0.043 0.000 1.053 85 R CA -0.227 55.776 56.100 -0.161 0.000 0.957 85 R CB 0.551 30.541 30.300 -0.516 0.000 1.022 85 R HN 0.290 8.648 8.270 0.148 0.000 0.461 86 N N 0.932 119.600 118.700 -0.054 0.000 2.220 86 N HA -0.055 nan 4.740 nan 0.000 0.195 86 N C -0.653 174.977 175.510 0.198 0.000 1.123 86 N CA -0.843 52.258 53.050 0.085 0.000 0.874 86 N CB 0.152 38.611 38.487 -0.046 0.000 0.995 86 N HN 0.458 8.756 8.380 -0.136 0.000 0.498 87 W N -4.944 116.334 121.300 -0.037 0.000 3.904 87 W HA -0.279 nan 4.660 nan 0.000 0.312 87 W C -0.610 175.853 176.519 -0.093 0.000 1.159 87 W CA 0.196 57.526 57.345 -0.025 0.000 0.704 87 W CB -2.426 27.067 29.460 0.055 0.000 2.209 87 W HN -0.426 7.571 8.180 -0.215 0.054 1.468 88 S N 0.467 116.087 115.700 -0.133 0.000 2.455 88 S HA 0.087 nan 4.470 nan 0.000 0.278 88 S C -0.744 173.793 174.600 -0.104 0.000 1.216 88 S CA 0.480 58.497 58.200 -0.305 0.000 1.055 88 S CB 0.433 63.146 63.200 -0.812 0.000 0.939 88 S HN -0.286 8.247 8.310 -0.212 -0.350 0.494 89 K N 3.498 123.900 120.400 0.002 0.000 2.848 89 K HA 0.081 nan 4.320 nan 0.000 0.308 89 K C -2.764 173.873 176.600 0.062 0.000 1.197 89 K CA -0.977 55.322 56.287 0.021 0.000 1.000 89 K CB -0.471 32.031 32.500 0.004 0.000 1.360 89 K HN -0.562 7.724 8.250 0.060 0.000 0.413 90 P HA -0.214 nan 4.420 nan 0.000 0.268 90 P C -0.799 176.528 177.300 0.044 0.000 1.189 90 P CA 0.051 63.185 63.100 0.057 0.000 0.771 90 P CB 0.743 32.469 31.700 0.044 0.000 0.822 91 Q N 0.114 119.939 119.800 0.042 0.000 2.327 91 Q HA -0.009 nan 4.340 nan 0.000 0.254 91 Q C -0.326 175.678 176.000 0.007 0.000 0.952 91 Q CA -0.258 55.549 55.803 0.007 0.000 0.884 91 Q CB 1.146 29.895 28.738 0.017 0.000 1.224 91 Q HN 0.165 8.469 8.270 0.056 0.000 0.422 92 c N 5.664 124.246 118.600 -0.031 0.000 2.601 92 c HA 0.008 nan 4.570 nan 0.000 0.409 92 c C 0.023 174.107 174.090 -0.011 0.000 1.293 92 c CA -0.161 56.151 56.329 -0.030 0.000 2.101 92 c CB -0.085 42.383 42.510 -0.070 0.000 2.639 92 c HN 0.104 8.294 8.230 -0.066 0.000 0.592 93 Q N 1.619 121.425 119.800 0.011 0.000 2.281 93 Q HA -0.042 nan 4.340 nan 0.000 0.267 93 Q C -0.827 175.164 176.000 -0.015 0.000 1.053 93 Q CA -0.213 55.616 55.803 0.043 0.000 0.905 93 Q CB 0.054 28.824 28.738 0.054 0.000 1.195 93 Q HN 0.291 8.566 8.270 0.007 0.000 0.398 94 I N -0.157 120.373 120.570 -0.066 0.000 2.378 94 I HA 0.298 nan 4.170 nan 0.000 0.291 94 I C -0.662 175.299 176.117 -0.259 0.000 0.992 94 I CA -1.118 60.021 61.300 -0.269 0.000 1.154 94 I CB 1.860 39.514 38.000 -0.577 0.000 1.315 94 I HN -0.070 8.149 8.210 0.015 0.000 0.448 95 T N 5.157 119.634 114.554 -0.128 0.000 2.951 95 T HA 0.046 nan 4.350 nan 0.000 0.268 95 T C 0.008 174.775 174.700 0.111 0.000 1.073 95 T CA 2.376 64.529 62.100 0.088 0.000 1.134 95 T CB 0.329 69.299 68.868 0.169 0.000 0.884 95 T HN 0.814 8.884 8.240 -0.105 0.107 0.479 96 G N -1.300 107.269 108.800 -0.385 0.000 2.344 96 G HA2 0.143 nan 3.960 nan 0.000 0.282 96 G HA3 0.143 nan 3.960 nan 0.000 0.282 96 G C -3.303 170.980 174.900 -1.028 0.000 1.281 96 G CA 0.598 45.276 45.100 -0.703 0.000 0.877 96 G HN -0.733 7.215 8.290 -0.510 0.036 0.494 97 F N -0.576 119.138 119.950 -0.394 0.000 2.507 97 F HA 0.646 nan 4.527 nan 0.000 0.327 97 F C -1.378 174.323 175.800 -0.164 0.000 1.068 97 F CA -1.825 56.079 58.000 -0.160 0.000 0.965 97 F CB 3.153 42.255 39.000 0.168 0.000 1.192 97 F HN 0.098 8.480 8.300 -0.482 -0.371 0.476 98 A N 1.523 124.371 122.820 0.047 0.000 2.355 98 A HA 0.623 nan 4.320 nan 0.000 0.324 98 A C -3.313 173.915 177.584 -0.593 0.000 1.117 98 A CA -3.328 48.628 52.037 -0.135 0.000 0.785 98 A CB 1.438 20.374 19.000 -0.107 0.000 1.254 98 A HN 0.668 8.850 8.150 0.054 0.000 0.453 99 P HA 0.191 nan 4.420 nan 0.000 0.268 99 P C -1.699 175.174 177.300 -0.712 0.000 1.205 99 P CA 0.815 62.860 63.100 -1.759 0.000 0.771 99 P CB 0.425 31.345 31.700 -1.300 0.000 0.858 100 F N 4.368 123.844 119.950 -0.790 0.000 2.729 100 F HA 0.291 nan 4.527 nan 0.000 0.304 100 F C -0.758 174.875 175.800 -0.279 0.000 1.008 100 F CA -0.727 57.032 58.000 -0.403 0.000 1.188 100 F CB 2.599 41.432 39.000 -0.278 0.000 0.980 100 F HN 0.739 8.514 8.300 -0.746 0.077 0.627 101 S N -2.314 113.164 115.700 -0.370 0.000 2.579 101 S HA 0.072 nan 4.470 nan 0.000 0.290 101 S C -2.641 171.828 174.600 -0.219 0.000 1.123 101 S CA 0.769 58.748 58.200 -0.369 0.000 0.894 101 S CB 1.313 64.234 63.200 -0.466 0.000 1.095 101 S HN -0.647 7.476 8.310 -0.312 0.000 0.450 102 K N 5.205 125.501 120.400 -0.172 0.000 2.435 102 K HA 0.387 nan 4.320 nan 0.000 0.251 102 K C -1.636 174.906 176.600 -0.097 0.000 0.954 102 K CA -1.705 54.531 56.287 -0.084 0.000 0.820 102 K CB 2.591 35.075 32.500 -0.026 0.000 1.292 102 K HN -0.025 8.111 8.250 -0.191 0.000 0.436 103 D N 1.795 122.151 120.400 -0.073 0.000 2.479 103 D HA 0.064 nan 4.640 nan 0.000 0.221 103 D C 0.267 176.529 176.300 -0.064 0.000 1.104 103 D CA -0.127 53.810 54.000 -0.106 0.000 0.849 103 D CB 1.045 41.734 40.800 -0.184 0.000 1.072 103 D HN 0.009 8.358 8.370 -0.036 0.000 0.502 104 N N -0.907 117.785 118.700 -0.014 0.000 2.714 104 N HA -0.408 nan 4.740 nan 0.000 0.250 104 N C 1.056 176.571 175.510 0.008 0.000 1.117 104 N CA 1.178 54.236 53.050 0.013 0.000 0.719 104 N CB -0.858 37.637 38.487 0.013 0.000 1.081 104 N HN 0.059 8.440 8.380 0.002 0.000 0.557 105 S N -0.010 115.691 115.700 0.001 0.000 2.370 105 S HA -0.339 nan 4.470 nan 0.000 0.226 105 S C 1.174 175.786 174.600 0.019 0.000 1.033 105 S CA 4.263 62.468 58.200 0.009 0.000 1.011 105 S CB -0.076 63.138 63.200 0.023 0.000 0.852 105 S HN -0.154 8.417 8.310 -0.009 -0.266 0.457 106 I N -0.681 119.916 120.570 0.045 0.000 2.439 106 I HA -0.299 nan 4.170 nan 0.000 0.251 106 I C 1.693 177.832 176.117 0.038 0.000 1.139 106 I CA 1.460 62.787 61.300 0.045 0.000 1.438 106 I CB -1.026 37.049 38.000 0.126 0.000 1.085 106 I HN -0.216 8.031 8.210 0.062 0.000 0.427 107 R N -0.638 119.892 120.500 0.051 0.000 2.070 107 R HA -0.253 nan 4.340 nan 0.000 0.233 107 R C 3.116 179.439 176.300 0.038 0.000 1.137 107 R CA 3.288 59.423 56.100 0.059 0.000 0.945 107 R CB -0.214 30.122 30.300 0.059 0.000 0.845 107 R HN -0.836 7.452 8.270 0.052 0.014 0.430 108 L N -0.723 120.510 121.223 0.016 0.000 2.083 108 L HA -0.332 nan 4.340 nan 0.000 0.209 108 L C 2.014 178.872 176.870 -0.020 0.000 1.083 108 L CA 2.887 57.727 54.840 -0.000 0.000 0.752 108 L CB -0.432 41.622 42.059 -0.008 0.000 0.899 108 L HN -0.111 8.129 8.230 0.016 0.000 0.433 109 S N -0.412 115.263 115.700 -0.042 0.000 2.420 109 S HA -0.347 nan 4.470 nan 0.000 0.237 109 S C 1.021 175.564 174.600 -0.095 0.000 1.023 109 S CA 3.563 61.706 58.200 -0.096 0.000 0.991 109 S CB -0.527 62.565 63.200 -0.180 0.000 0.792 109 S HN -0.223 8.068 8.310 -0.032 0.000 0.488 110 A N -1.533 121.261 122.820 -0.043 0.000 2.276 110 A HA 0.125 nan 4.320 nan 0.000 0.212 110 A C -0.006 177.572 177.584 -0.011 0.000 1.230 110 A CA 0.367 52.398 52.037 -0.010 0.000 0.844 110 A CB -0.569 18.471 19.000 0.066 0.000 0.860 110 A HN -0.756 7.346 8.150 -0.017 0.037 0.486 111 G N -2.336 106.450 108.800 -0.024 0.000 5.072 111 G HA2 0.046 nan 3.960 nan 0.000 0.208 111 G HA3 0.046 nan 3.960 nan 0.000 0.208 111 G C -1.736 173.145 174.900 -0.031 0.000 0.804 111 G CA 0.433 45.518 45.100 -0.025 0.000 0.619 111 G HN -0.038 8.021 8.290 -0.033 0.212 0.427 112 G N -0.691 108.084 108.800 -0.042 0.000 2.282 112 G HA2 -0.180 nan 3.960 nan 0.000 0.274 112 G HA3 -0.180 nan 3.960 nan 0.000 0.274 112 G C -2.886 171.982 174.900 -0.053 0.000 1.718 112 G CA -0.117 44.959 45.100 -0.040 0.000 0.927 112 G HN -0.699 7.560 8.290 -0.052 0.000 0.733 113 D N 3.159 123.525 120.400 -0.055 0.000 2.346 113 D HA -0.042 nan 4.640 nan 0.000 0.267 113 D C -1.029 175.233 176.300 -0.064 0.000 1.320 113 D CA 0.824 54.772 54.000 -0.088 0.000 0.951 113 D CB -0.230 40.510 40.800 -0.099 0.000 1.079 113 D HN 0.047 8.390 8.370 -0.045 0.000 0.509 114 I N 0.458 120.981 120.570 -0.079 0.000 2.646 114 I HA 0.400 nan 4.170 nan 0.000 0.299 114 I C -0.686 175.421 176.117 -0.018 0.000 1.036 114 I CA -2.549 58.758 61.300 0.011 0.000 1.074 114 I CB 2.921 40.943 38.000 0.036 0.000 1.258 114 I HN -0.530 7.611 8.210 -0.114 0.000 0.430 115 W N 4.456 125.779 121.300 0.038 0.000 2.148 115 W HA -0.107 nan 4.660 nan 0.000 0.347 115 W C -0.288 176.250 176.519 0.030 0.000 1.288 115 W CA 1.522 58.884 57.345 0.028 0.000 1.252 115 W CB 0.355 29.831 29.460 0.026 0.000 1.156 115 W HN 0.402 8.844 8.180 0.437 0.000 0.580 116 V N 3.142 123.250 119.914 0.324 0.000 2.334 116 V HA 0.351 nan 4.120 nan 0.000 0.267 116 V C -0.881 175.385 176.094 0.286 0.000 1.040 116 V CA -0.634 61.811 62.300 0.241 0.000 0.866 116 V CB -1.236 30.712 31.823 0.209 0.000 1.019 116 V HN 0.193 8.611 8.190 0.380 0.000 0.468 117 T N 4.446 119.142 114.554 0.236 0.000 2.762 117 T HA 0.768 nan 4.350 nan 0.000 0.272 117 T C -0.987 173.799 174.700 0.144 0.000 0.982 117 T CA -1.998 60.202 62.100 0.166 0.000 1.013 117 T CB 3.054 71.997 68.868 0.125 0.000 1.309 117 T HN 0.622 9.001 8.240 0.231 0.000 0.572 118 R N -2.763 117.796 120.500 0.098 0.000 2.829 118 R HA 0.046 nan 4.340 nan 0.000 0.284 118 R C -1.549 174.782 176.300 0.052 0.000 1.006 118 R CA 0.075 56.215 56.100 0.067 0.000 0.844 118 R CB 4.068 34.389 30.300 0.035 0.000 1.309 118 R HN -0.142 8.171 8.270 0.072 0.000 0.494 119 E N -1.815 118.381 120.200 -0.006 0.000 2.197 119 E HA -0.291 nan 4.350 nan 0.000 0.184 119 E C -2.099 174.631 176.600 0.217 0.000 1.439 119 E CA 0.749 57.193 56.400 0.073 0.000 0.688 119 E CB -1.876 27.878 29.700 0.091 0.000 1.090 119 E HN -0.191 8.407 8.360 -0.098 -0.296 0.341 120 P HA 0.353 nan 4.420 nan 0.000 0.279 120 P C -2.183 175.144 177.300 0.044 0.000 1.276 120 P CA -0.864 62.301 63.100 0.109 0.000 0.801 120 P CB 1.012 32.759 31.700 0.079 0.000 1.127 121 Y N -8.671 111.431 120.300 -0.330 0.000 2.677 121 Y HA 0.294 nan 4.550 nan 0.000 0.334 121 Y C -2.708 172.969 175.900 -0.372 0.000 1.196 121 Y CA -1.504 56.168 58.100 -0.713 0.000 1.059 121 Y CB 1.521 39.863 38.460 -0.197 0.000 1.315 121 Y HN 0.274 8.319 8.280 -0.222 0.102 0.455 122 V N -3.661 116.114 119.914 -0.231 0.000 2.876 122 V HA 0.802 nan 4.120 nan 0.000 0.312 122 V C -2.456 173.591 176.094 -0.079 0.000 1.085 122 V CA -2.543 59.653 62.300 -0.174 0.000 0.945 122 V CB 2.877 34.398 31.823 -0.503 0.000 1.017 122 V HN 0.331 8.364 8.190 -0.262 0.000 0.428 123 S N 2.902 118.728 115.700 0.210 0.000 2.615 123 S HA 0.645 nan 4.470 nan 0.000 0.269 123 S C -1.999 172.946 174.600 0.574 0.000 1.161 123 S CA -1.171 57.264 58.200 0.392 0.000 0.817 123 S CB 3.254 66.793 63.200 0.564 0.000 1.131 123 S HN -0.150 8.363 8.310 0.339 0.000 0.467 124 c N 1.074 119.959 118.600 0.475 0.000 2.698 124 c HA 0.844 nan 4.570 nan 0.000 0.309 124 c C -1.177 173.001 174.090 0.146 0.000 1.186 124 c CA -1.781 54.805 56.329 0.427 0.000 1.474 124 c CB 3.701 46.379 42.510 0.280 0.000 2.020 124 c HN 0.521 8.988 8.230 0.394 0.000 0.474 125 D N 2.898 123.401 120.400 0.171 0.000 2.447 125 D HA 0.258 nan 4.640 nan 0.000 0.265 125 D C -1.204 174.934 176.300 -0.270 0.000 1.250 125 D CA -1.774 51.982 54.000 -0.407 0.000 1.046 125 D CB -1.013 39.630 40.800 -0.261 0.000 1.095 125 D HN -0.206 8.511 8.370 0.579 0.000 0.555 126 P HA -0.129 nan 4.420 nan 0.000 0.220 126 P C -0.419 176.818 177.300 -0.104 0.000 1.148 126 P CA 1.477 64.440 63.100 -0.229 0.000 0.803 126 P CB 0.078 31.633 31.700 -0.242 0.000 0.782 127 V N -7.481 112.402 119.914 -0.053 0.000 2.825 127 V HA 0.133 nan 4.120 nan 0.000 0.246 127 V C -0.223 175.869 176.094 -0.004 0.000 1.068 127 V CA 0.676 62.967 62.300 -0.015 0.000 1.088 127 V CB 0.659 32.487 31.823 0.008 0.000 0.733 127 V HN -0.293 7.971 8.190 -0.051 -0.105 0.468 128 K N -3.857 116.547 120.400 0.006 0.000 2.579 128 K HA 0.264 nan 4.320 nan 0.000 0.284 128 K C -2.074 174.459 176.600 -0.112 0.000 0.990 128 K CA -0.779 55.465 56.287 -0.072 0.000 0.880 128 K CB 3.387 35.779 32.500 -0.180 0.000 1.488 128 K HN 0.024 8.668 8.250 0.053 -0.362 0.425 129 c N -0.066 118.439 118.600 -0.158 0.000 2.370 129 c HA 0.875 nan 4.570 nan 0.000 0.354 129 c C 0.119 173.958 174.090 -0.418 0.000 1.218 129 c CA -0.686 55.584 56.329 -0.099 0.000 2.154 129 c CB 0.328 42.875 42.510 0.061 0.000 2.391 129 c HN 0.419 8.568 8.230 -0.135 0.000 0.540 130 Y N 0.083 120.424 120.300 0.069 0.000 2.659 130 Y HA 0.573 nan 4.550 nan 0.000 0.333 130 Y C -1.701 174.086 175.900 -0.188 0.000 1.064 130 Y CA -1.732 56.287 58.100 -0.135 0.000 1.141 130 Y CB 3.805 42.080 38.460 -0.308 0.000 1.316 130 Y HN 1.126 9.517 8.280 0.367 0.109 0.509 131 Q N -2.638 117.063 119.800 -0.165 0.000 2.337 131 Q HA 0.747 nan 4.340 nan 0.000 0.270 131 Q C -1.534 174.361 176.000 -0.174 0.000 1.043 131 Q CA -1.531 54.200 55.803 -0.121 0.000 0.794 131 Q CB 2.935 31.573 28.738 -0.166 0.000 1.281 131 Q HN 0.850 8.888 8.270 -0.203 0.109 0.446 132 F N 2.852 122.646 119.950 -0.260 0.000 2.594 132 F HA 0.874 nan 4.527 nan 0.000 0.335 132 F C -1.315 174.216 175.800 -0.448 0.000 1.058 132 F CA -2.109 55.567 58.000 -0.538 0.000 0.981 132 F CB 4.300 42.586 39.000 -1.191 0.000 1.289 132 F HN 0.905 9.114 8.300 0.022 0.104 0.490 133 A N -2.234 120.401 122.820 -0.309 0.000 2.596 133 A HA 0.309 nan 4.320 nan 0.000 0.305 133 A C -2.308 175.113 177.584 -0.272 0.000 1.032 133 A CA 0.466 52.382 52.037 -0.202 0.000 0.776 133 A CB 2.618 21.569 19.000 -0.081 0.000 1.253 133 A HN 0.127 8.048 8.150 -0.380 0.000 0.402 134 L N 1.450 122.615 121.223 -0.096 0.000 2.325 134 L HA 0.495 nan 4.340 nan 0.000 0.284 134 L C 0.904 177.716 176.870 -0.097 0.000 1.089 134 L CA -1.658 53.130 54.840 -0.087 0.000 0.836 134 L CB -1.376 40.708 42.059 0.043 0.000 1.184 134 L HN -0.021 8.209 8.230 0.000 0.000 0.444 135 G N 3.194 111.865 108.800 -0.215 0.000 2.621 135 G HA2 0.210 nan 3.960 nan 0.000 0.271 135 G HA3 0.210 nan 3.960 nan 0.000 0.271 135 G C -0.978 173.995 174.900 0.121 0.000 1.236 135 G CA -0.405 44.641 45.100 -0.090 0.000 0.958 135 G HN 0.579 8.663 8.290 -0.343 0.000 0.512 136 Q N -0.279 119.706 119.800 0.309 0.000 2.211 136 Q HA 0.110 nan 4.340 nan 0.000 0.301 136 Q C 0.214 176.430 176.000 0.360 0.000 0.884 136 Q CA -1.726 54.249 55.803 0.285 0.000 1.115 136 Q CB 0.066 28.957 28.738 0.254 0.000 1.217 136 Q HN 0.047 8.594 8.270 0.463 0.000 0.451 137 G N -0.491 108.614 108.800 0.508 0.000 2.379 137 G HA2 -0.467 nan 3.960 nan 0.000 0.297 137 G HA3 -0.467 nan 3.960 nan 0.000 0.297 137 G C -1.693 173.366 174.900 0.264 0.000 1.004 137 G CA 1.031 46.434 45.100 0.506 0.000 0.921 137 G HN 0.249 8.744 8.290 0.467 0.075 0.511 138 T N -3.392 111.243 114.554 0.135 0.000 2.722 138 T HA 0.205 nan 4.350 nan 0.000 0.314 138 T C -1.909 172.516 174.700 -0.457 0.000 1.675 138 T CA -0.957 61.011 62.100 -0.220 0.000 1.003 138 T CB 2.414 71.309 68.868 0.044 0.000 1.602 138 T HN -0.509 8.015 8.240 0.505 0.019 0.496 139 T N -0.498 113.790 114.554 -0.443 0.000 2.936 139 T HA 0.749 nan 4.350 nan 0.000 0.282 139 T C -0.436 174.139 174.700 -0.208 0.000 1.003 139 T CA -1.895 59.964 62.100 -0.402 0.000 1.005 139 T CB 1.428 70.052 68.868 -0.406 0.000 1.097 139 T HN 0.078 8.115 8.240 -0.338 0.000 0.532 140 L N -0.404 120.692 121.223 -0.213 0.000 2.072 140 L HA -0.106 nan 4.340 nan 0.000 0.205 140 L C 0.705 177.408 176.870 -0.279 0.000 1.079 140 L CA 2.965 57.627 54.840 -0.296 0.000 0.752 140 L CB 0.518 42.312 42.059 -0.441 0.000 0.906 140 L HN 0.615 8.719 8.230 -0.210 0.000 0.436 141 D N -1.818 118.454 120.400 -0.213 0.000 2.896 141 D HA 0.031 nan 4.640 nan 0.000 0.240 141 D C -1.548 174.674 176.300 -0.129 0.000 1.193 141 D CA -0.174 53.736 54.000 -0.150 0.000 0.983 141 D CB -1.322 39.404 40.800 -0.122 0.000 1.074 141 D HN -0.126 8.120 8.370 -0.207 0.000 0.496 142 N N -0.031 118.597 118.700 -0.120 0.000 2.277 142 N HA 0.105 nan 4.740 nan 0.000 0.286 142 N C 0.333 175.769 175.510 -0.123 0.000 1.140 142 N CA -0.941 52.020 53.050 -0.148 0.000 0.799 142 N CB 2.331 40.731 38.487 -0.145 0.000 1.596 142 N HN -0.740 7.514 8.380 -0.101 0.065 0.473 143 K N 2.622 122.889 120.400 -0.222 0.000 2.147 143 K HA -0.268 nan 4.320 nan 0.000 0.205 143 K C 1.590 178.146 176.600 -0.075 0.000 1.049 143 K CA 2.661 58.852 56.287 -0.161 0.000 0.936 143 K CB -0.049 32.318 32.500 -0.222 0.000 0.722 143 K HN 0.653 8.725 8.250 -0.297 0.000 0.446 144 H N -2.553 116.525 119.070 0.012 0.000 2.568 144 H HA -0.094 nan 4.556 nan 0.000 0.281 144 H C 0.936 176.314 175.328 0.083 0.000 1.028 144 H CA 1.004 57.074 56.048 0.036 0.000 1.199 144 H CB -1.009 28.760 29.762 0.013 0.000 1.352 144 H HN 0.109 8.043 8.280 -0.553 0.015 0.605 145 S N -0.978 114.830 115.700 0.179 0.000 2.414 145 S HA -0.260 nan 4.470 nan 0.000 0.227 145 S C 0.521 175.308 174.600 0.311 0.000 1.022 145 S CA 1.015 59.355 58.200 0.233 0.000 0.958 145 S CB 0.740 64.061 63.200 0.201 0.000 0.797 145 S HN -0.311 7.877 8.310 0.110 0.188 0.493 146 N N 3.246 122.109 118.700 0.272 0.000 2.294 146 N HA -0.329 nan 4.740 nan 0.000 0.263 146 N C -0.437 175.234 175.510 0.268 0.000 1.281 146 N CA 1.678 54.895 53.050 0.278 0.000 0.846 146 N CB -0.122 38.425 38.487 0.100 0.000 1.061 146 N HN -0.727 7.778 8.380 0.207 0.000 0.478 147 D N 2.078 122.674 120.400 0.326 0.000 2.809 147 D HA -0.335 nan 4.640 nan 0.000 0.234 147 D C -0.650 175.867 176.300 0.362 0.000 1.111 147 D CA 0.808 55.001 54.000 0.322 0.000 0.726 147 D CB -0.339 40.641 40.800 0.299 0.000 1.089 147 D HN 0.230 8.719 8.370 0.387 0.113 0.436 148 T N -7.611 107.119 114.554 0.294 0.000 3.287 148 T HA 0.108 nan 4.350 nan 0.000 0.253 148 T C 0.466 175.273 174.700 0.178 0.000 0.975 148 T CA -0.373 61.891 62.100 0.274 0.000 0.912 148 T CB -0.038 68.994 68.868 0.273 0.000 1.071 148 T HN -0.276 8.137 8.240 0.288 0.000 0.578 149 V N 0.571 120.523 119.914 0.065 0.000 2.966 149 V HA 0.243 nan 4.120 nan 0.000 0.378 149 V C -0.701 175.162 176.094 -0.385 0.000 1.279 149 V CA -0.861 61.352 62.300 -0.144 0.000 1.439 149 V CB -1.886 29.812 31.823 -0.207 0.000 1.451 149 V HN -0.003 8.148 8.190 0.138 0.122 0.570 150 H N 0.861 119.949 119.070 0.029 0.000 2.771 150 H HA 0.271 nan 4.556 nan 0.000 0.361 150 H C -1.101 174.212 175.328 -0.025 0.000 1.108 150 H CA -1.293 54.750 56.048 -0.008 0.000 1.201 150 H CB 3.449 33.204 29.762 -0.012 0.000 1.681 150 H HN -0.773 7.502 8.280 0.134 0.085 0.534 151 D N 0.928 121.350 120.400 0.038 0.000 2.323 151 D HA -0.016 nan 4.640 nan 0.000 0.209 151 D C -0.384 175.841 176.300 -0.126 0.000 0.973 151 D CA 1.657 55.639 54.000 -0.030 0.000 0.874 151 D CB 0.765 41.525 40.800 -0.066 0.000 0.930 151 D HN 0.272 8.655 8.370 0.021 0.000 0.521 152 R N -1.808 118.577 120.500 -0.191 0.000 2.507 152 R HA 0.290 nan 4.340 nan 0.000 0.298 152 R C -1.967 174.212 176.300 -0.201 0.000 1.087 152 R CA -0.385 55.468 56.100 -0.412 0.000 0.917 152 R CB 1.192 30.968 30.300 -0.873 0.000 1.173 152 R HN -0.134 8.044 8.270 -0.084 0.042 0.472 153 I N -1.268 119.281 120.570 -0.035 0.000 2.913 153 I HA 0.662 nan 4.170 nan 0.000 0.302 153 I C -1.429 174.682 176.117 -0.010 0.000 1.246 153 I CA -4.155 57.105 61.300 -0.067 0.000 1.010 153 I CB 3.006 40.927 38.000 -0.133 0.000 1.259 153 I HN -0.028 8.231 8.210 0.081 0.000 0.434 154 P HA -0.164 nan 4.420 nan 0.000 0.222 154 P C -0.703 176.547 177.300 -0.084 0.000 1.142 154 P CA 2.314 65.314 63.100 -0.166 0.000 0.788 154 P CB -0.198 31.362 31.700 -0.235 0.000 0.767 155 H N -5.117 114.004 119.070 0.086 0.000 2.551 155 H HA 0.162 nan 4.556 nan 0.000 0.271 155 H C -0.604 174.772 175.328 0.081 0.000 0.984 155 H CA -0.863 55.228 56.048 0.071 0.000 1.164 155 H CB -0.026 29.777 29.762 0.068 0.000 1.437 155 H HN -0.269 7.684 8.280 -0.413 0.079 0.550 156 R N 1.132 121.731 120.500 0.165 0.000 2.401 156 R HA 0.020 nan 4.340 nan 0.000 0.299 156 R C -0.620 175.695 176.300 0.025 0.000 1.064 156 R CA 0.505 56.677 56.100 0.120 0.000 1.000 156 R CB -0.069 30.338 30.300 0.179 0.000 0.973 156 R HN -0.661 7.701 8.270 0.153 0.000 0.438 157 T N -1.347 113.162 114.554 -0.076 0.000 2.907 157 T HA 0.548 nan 4.350 nan 0.000 0.292 157 T C -1.900 172.646 174.700 -0.257 0.000 1.043 157 T CA -2.555 59.446 62.100 -0.165 0.000 1.003 157 T CB 2.938 71.692 68.868 -0.189 0.000 1.084 157 T HN 0.132 8.309 8.240 -0.106 0.000 0.483 158 L N 2.639 123.710 121.223 -0.253 0.000 2.369 158 L HA 0.550 nan 4.340 nan 0.000 0.279 158 L C -1.728 174.885 176.870 -0.428 0.000 1.108 158 L CA -0.508 54.166 54.840 -0.277 0.000 0.852 158 L CB 0.690 42.634 42.059 -0.192 0.000 1.169 158 L HN 0.150 8.245 8.230 -0.225 0.000 0.452 159 L N 6.818 127.684 121.223 -0.595 0.000 2.334 159 L HA 0.569 nan 4.340 nan 0.000 0.277 159 L C -1.478 174.933 176.870 -0.764 0.000 1.075 159 L CA -0.838 53.497 54.840 -0.842 0.000 0.804 159 L CB 1.280 42.505 42.059 -1.391 0.000 1.174 159 L HN 0.630 8.518 8.230 -0.570 0.000 0.438 160 M N 2.292 121.481 119.600 -0.686 0.000 2.149 160 M HA 0.282 nan 4.480 nan 0.000 0.273 160 M C -2.499 173.549 176.300 -0.420 0.000 0.972 160 M CA -0.305 54.524 55.300 -0.785 0.000 0.984 160 M CB 2.289 34.312 32.600 -0.962 0.000 1.699 160 M HN -0.242 7.684 8.290 -0.606 0.000 0.462 161 N N 4.552 123.165 118.700 -0.146 0.000 2.545 161 N HA 0.410 nan 4.740 nan 0.000 0.289 161 N C -2.188 173.312 175.510 -0.016 0.000 1.279 161 N CA -1.389 51.658 53.050 -0.007 0.000 0.824 161 N CB 4.058 42.585 38.487 0.066 0.000 1.395 161 N HN 0.574 8.885 8.380 -0.116 0.000 0.526 162 E N 0.628 120.805 120.200 -0.039 0.000 2.366 162 E HA 0.178 nan 4.350 nan 0.000 0.266 162 E C -0.517 175.940 176.600 -0.239 0.000 1.051 162 E CA -0.007 56.281 56.400 -0.187 0.000 0.884 162 E CB 1.575 31.159 29.700 -0.194 0.000 1.006 162 E HN 0.211 8.553 8.360 -0.029 0.000 0.417 163 L N 4.491 125.534 121.223 -0.300 0.000 2.615 163 L HA -0.301 nan 4.340 nan 0.000 0.271 163 L C -0.073 176.625 176.870 -0.287 0.000 1.183 163 L CA 1.625 56.294 54.840 -0.284 0.000 0.933 163 L CB -0.329 41.558 42.059 -0.286 0.000 1.199 163 L HN 0.310 8.215 8.230 -0.389 0.092 0.487 164 G N 4.582 113.214 108.800 -0.281 0.000 2.352 164 G HA2 -0.251 nan 3.960 nan 0.000 0.204 164 G HA3 -0.251 nan 3.960 nan 0.000 0.204 164 G C -1.082 173.686 174.900 -0.220 0.000 1.004 164 G CA -0.309 44.642 45.100 -0.250 0.000 0.648 164 G HN -0.214 7.895 8.290 -0.302 0.000 0.491 165 V N 2.187 121.973 119.914 -0.213 0.000 2.385 165 V HA 0.490 nan 4.120 nan 0.000 0.269 165 V C -2.263 173.693 176.094 -0.230 0.000 1.043 165 V CA -3.551 58.657 62.300 -0.153 0.000 0.906 165 V CB 0.327 32.111 31.823 -0.064 0.000 0.995 165 V HN -0.301 7.697 8.190 -0.225 0.056 0.467 166 P HA 0.029 nan 4.420 nan 0.000 0.271 166 P C -0.798 176.445 177.300 -0.096 0.000 1.233 166 P CA -0.819 62.116 63.100 -0.276 0.000 0.789 166 P CB 0.791 32.426 31.700 -0.109 0.000 0.951 167 F N -0.455 119.532 119.950 0.061 0.000 2.651 167 F HA 0.055 nan 4.527 nan 0.000 0.347 167 F C -0.322 175.607 175.800 0.215 0.000 1.284 167 F CA -1.191 56.833 58.000 0.040 0.000 1.175 167 F CB -1.822 37.167 39.000 -0.018 0.000 1.542 167 F HN 0.462 8.561 8.300 -0.335 0.000 0.661 168 H N -0.471 118.781 119.070 0.303 0.000 2.497 168 H HA 0.510 nan 4.556 nan 0.000 0.331 168 H C 0.898 176.392 175.328 0.276 0.000 1.457 168 H CA -1.996 54.175 56.048 0.204 0.000 1.459 168 H CB 1.251 31.062 29.762 0.082 0.000 1.728 168 H HN 0.096 8.358 8.280 0.043 0.044 0.691 169 L N -1.452 119.877 121.223 0.177 0.000 2.456 169 L HA -0.175 nan 4.340 nan 0.000 0.224 169 L C 1.061 177.988 176.870 0.096 0.000 1.148 169 L CA 1.587 56.503 54.840 0.127 0.000 0.825 169 L CB -0.526 41.564 42.059 0.051 0.000 0.937 169 L HN 0.698 9.066 8.230 0.231 0.000 0.450 170 G N -2.645 106.169 108.800 0.023 0.000 2.880 170 G HA2 -0.055 nan 3.960 nan 0.000 0.209 170 G HA3 -0.055 nan 3.960 nan 0.000 0.209 170 G C -0.166 174.639 174.900 -0.158 0.000 1.157 170 G CA -0.097 45.023 45.100 0.033 0.000 0.779 170 G HN -0.452 7.789 8.290 0.045 0.075 0.539 171 T N 2.630 116.972 114.554 -0.354 0.000 2.928 171 T HA -0.118 nan 4.350 nan 0.000 0.305 171 T C -1.179 173.396 174.700 -0.209 0.000 1.035 171 T CA 1.330 63.261 62.100 -0.282 0.000 1.145 171 T CB 0.211 68.927 68.868 -0.255 0.000 0.963 171 T HN -0.544 7.282 8.240 -0.393 0.178 0.545 172 R N 5.390 125.741 120.500 -0.249 0.000 2.349 172 R HA 0.217 nan 4.340 nan 0.000 0.299 172 R C -1.104 174.980 176.300 -0.361 0.000 1.027 172 R CA -0.726 55.225 56.100 -0.248 0.000 0.958 172 R CB 1.415 31.583 30.300 -0.219 0.000 1.047 172 R HN 0.394 8.514 8.270 -0.250 0.000 0.468 173 Q N 4.655 124.265 119.800 -0.317 0.000 2.456 173 Q HA 0.108 nan 4.340 nan 0.000 0.234 173 Q C 0.037 175.862 176.000 -0.291 0.000 1.061 173 Q CA -0.023 55.563 55.803 -0.362 0.000 0.896 173 Q CB -0.097 28.460 28.738 -0.302 0.000 1.233 173 Q HN 0.357 8.489 8.270 -0.229 0.000 0.506 174 V N 2.434 122.138 119.914 -0.350 0.000 2.867 174 V HA -0.244 nan 4.120 nan 0.000 0.260 174 V C -0.750 175.178 176.094 -0.277 0.000 1.099 174 V CA 1.748 63.835 62.300 -0.355 0.000 1.122 174 V CB -0.805 30.677 31.823 -0.569 0.000 0.708 174 V HN 0.635 8.579 8.190 -0.409 0.000 0.490 175 c N -7.202 111.253 118.600 -0.241 0.000 3.034 175 c HA 0.128 nan 4.570 nan 0.000 0.336 175 c C -1.963 172.028 174.090 -0.165 0.000 1.304 175 c CA -2.296 53.928 56.329 -0.175 0.000 1.197 175 c CB 1.024 43.435 42.510 -0.166 0.000 1.373 175 c HN -0.835 7.197 8.230 -0.264 0.040 0.459 176 I N 0.974 121.462 120.570 -0.138 0.000 2.352 176 I HA 0.334 nan 4.170 nan 0.000 0.290 176 I C -1.009 174.997 176.117 -0.185 0.000 1.036 176 I CA -0.091 61.131 61.300 -0.129 0.000 1.336 176 I CB 0.141 38.079 38.000 -0.103 0.000 1.407 176 I HN 0.343 8.477 8.210 -0.126 0.000 0.497 177 A N 7.156 129.874 122.820 -0.169 0.000 2.532 177 A HA 0.400 nan 4.320 nan 0.000 0.296 177 A C -1.808 175.751 177.584 -0.042 0.000 1.058 177 A CA -0.033 51.881 52.037 -0.205 0.000 0.729 177 A CB 2.318 21.223 19.000 -0.158 0.000 1.285 177 A HN 0.529 8.492 8.150 -0.114 0.119 0.396 178 W N -1.664 119.616 121.300 -0.033 0.000 2.991 178 W HA 0.392 nan 4.660 nan 0.000 0.391 178 W C -1.254 175.269 176.519 0.006 0.000 1.054 178 W CA -2.466 54.871 57.345 -0.013 0.000 1.856 178 W CB 1.624 31.076 29.460 -0.013 0.000 1.132 178 W HN 0.972 8.775 8.180 -0.452 0.106 0.601 179 S N 1.210 117.085 115.700 0.292 0.000 2.590 179 S HA 0.236 nan 4.470 nan 0.000 0.286 179 S C -2.059 172.579 174.600 0.063 0.000 1.147 179 S CA 0.331 58.678 58.200 0.245 0.000 0.963 179 S CB 1.231 64.652 63.200 0.368 0.000 1.124 179 S HN -0.744 7.522 8.310 0.058 0.078 0.458 180 S N 5.574 121.325 115.700 0.084 0.000 2.794 180 S HA 0.915 nan 4.470 nan 0.000 0.299 180 S C -2.580 171.990 174.600 -0.050 0.000 1.179 180 S CA -1.284 56.938 58.200 0.036 0.000 0.838 180 S CB 3.554 66.821 63.200 0.111 0.000 1.206 180 S HN 0.708 9.313 8.310 0.138 -0.212 0.523 181 S N -1.525 114.146 115.700 -0.048 0.000 2.578 181 S HA 0.350 nan 4.470 nan 0.000 0.272 181 S C -2.337 172.267 174.600 0.007 0.000 1.145 181 S CA 0.218 58.308 58.200 -0.184 0.000 0.835 181 S CB 1.454 64.584 63.200 -0.116 0.000 1.104 181 S HN -0.249 8.077 8.310 0.028 0.000 0.458 182 S N 1.676 117.384 115.700 0.013 0.000 2.537 182 S HA 0.822 nan 4.470 nan 0.000 0.271 182 S C -1.716 172.997 174.600 0.188 0.000 1.148 182 S CA -0.181 58.109 58.200 0.151 0.000 0.868 182 S CB 3.707 66.953 63.200 0.075 0.000 1.115 182 S HN -0.079 8.170 8.310 -0.102 0.000 0.461 183 c N -0.514 118.205 118.600 0.199 0.000 3.306 183 c HA 0.557 nan 4.570 nan 0.000 0.335 183 c C -2.643 171.410 174.090 -0.062 0.000 1.382 183 c CA -1.925 54.464 56.329 0.099 0.000 1.254 183 c CB 3.503 46.084 42.510 0.118 0.000 1.555 183 c HN 0.711 9.061 8.230 0.199 0.000 0.463 184 H N 0.323 119.202 119.070 -0.319 0.000 2.727 184 H HA 0.322 nan 4.556 nan 0.000 0.330 184 H C -0.016 175.231 175.328 -0.136 0.000 0.986 184 H CA -1.694 54.069 56.048 -0.474 0.000 1.251 184 H CB 3.036 32.178 29.762 -1.033 0.000 1.493 184 H HN 0.273 8.552 8.280 -0.002 0.000 0.515 185 D N 6.130 126.610 120.400 0.134 0.000 2.390 185 D HA -0.192 nan 4.640 nan 0.000 0.235 185 D C 1.076 177.555 176.300 0.300 0.000 1.040 185 D CA 0.570 54.731 54.000 0.268 0.000 0.923 185 D CB -0.272 40.749 40.800 0.369 0.000 0.886 185 D HN -0.090 8.287 8.370 0.012 0.000 0.532 186 G N -1.383 107.656 108.800 0.398 0.000 2.279 186 G HA2 -0.401 nan 3.960 nan 0.000 0.223 186 G HA3 -0.401 nan 3.960 nan 0.000 0.223 186 G C 0.558 175.588 174.900 0.217 0.000 1.015 186 G CA 0.648 45.861 45.100 0.187 0.000 0.621 186 G HN 0.058 8.662 8.290 0.758 0.140 0.506 187 K N 0.932 121.403 120.400 0.119 0.000 2.329 187 K HA 0.101 nan 4.320 nan 0.000 0.198 187 K C -1.256 175.240 176.600 -0.174 0.000 1.085 187 K CA 0.651 56.922 56.287 -0.025 0.000 0.961 187 K CB 1.925 34.320 32.500 -0.176 0.000 0.971 187 K HN 0.023 8.510 8.250 0.147 -0.149 0.502 188 A N -2.519 119.964 122.820 -0.561 0.000 2.610 188 A HA 0.290 nan 4.320 nan 0.000 0.291 188 A C -2.372 174.591 177.584 -1.034 0.000 1.086 188 A CA -1.074 50.477 52.037 -0.810 0.000 0.677 188 A CB 2.313 20.918 19.000 -0.658 0.000 1.278 188 A HN -0.745 7.456 8.150 -0.423 -0.305 0.414 189 W N -2.277 118.570 121.300 -0.754 0.000 2.215 189 W HA 0.482 nan 4.660 nan 0.000 0.342 189 W C -1.002 175.208 176.519 -0.515 0.000 1.237 189 W CA 0.333 57.376 57.345 -0.505 0.000 1.283 189 W CB 1.702 30.941 29.460 -0.369 0.000 1.131 189 W HN 0.298 8.336 8.180 -0.236 0.000 0.606 190 L N -0.571 120.578 121.223 -0.124 0.000 2.470 190 L HA 0.682 nan 4.340 nan 0.000 0.268 190 L C -2.583 174.200 176.870 -0.145 0.000 0.964 190 L CA -0.306 54.521 54.840 -0.022 0.000 0.839 190 L CB 3.381 45.598 42.059 0.263 0.000 1.276 190 L HN 0.497 8.724 8.230 -0.005 0.000 0.403 191 H N 5.213 124.383 119.070 0.167 0.000 2.637 191 H HA 0.656 nan 4.556 nan 0.000 0.363 191 H C -2.403 172.907 175.328 -0.030 0.000 1.131 191 H CA -1.466 54.624 56.048 0.070 0.000 1.183 191 H CB 3.678 33.459 29.762 0.031 0.000 1.637 191 H HN 0.585 8.908 8.280 0.073 0.000 0.531 192 V N 1.808 121.722 119.914 -0.000 0.000 2.326 192 V HA 0.579 nan 4.120 nan 0.000 0.281 192 V C -2.247 173.718 176.094 -0.216 0.000 1.015 192 V CA -2.028 60.105 62.300 -0.279 0.000 0.823 192 V CB 0.724 32.338 31.823 -0.348 0.000 1.009 192 V HN 0.115 8.335 8.190 0.051 0.000 0.436 193 c N 9.416 127.861 118.600 -0.258 0.000 2.411 193 c HA 0.819 nan 4.570 nan 0.000 0.330 193 c C -1.432 172.460 174.090 -0.331 0.000 1.224 193 c CA -2.275 53.917 56.329 -0.229 0.000 1.770 193 c CB 1.587 43.985 42.510 -0.186 0.000 2.297 193 c HN 0.460 8.499 8.230 -0.318 0.000 0.507 194 I N 2.935 123.264 120.570 -0.402 0.000 2.466 194 I HA 0.561 nan 4.170 nan 0.000 0.289 194 I C -1.789 173.620 176.117 -1.180 0.000 1.026 194 I CA -0.562 60.353 61.300 -0.641 0.000 1.078 194 I CB 2.656 40.318 38.000 -0.563 0.000 1.249 194 I HN 0.270 8.279 8.210 -0.334 0.000 0.429 195 T N 3.074 116.961 114.554 -1.112 0.000 2.843 195 T HA 0.565 nan 4.350 nan 0.000 0.302 195 T C -1.835 172.538 174.700 -0.546 0.000 1.232 195 T CA -1.974 59.388 62.100 -1.231 0.000 1.009 195 T CB 3.317 71.850 68.868 -0.558 0.000 1.254 195 T HN 0.077 7.879 8.240 -0.730 0.000 0.504 196 G N 0.721 109.467 108.800 -0.089 0.000 2.347 196 G HA2 -0.171 nan 3.960 nan 0.000 0.341 196 G HA3 -0.171 nan 3.960 nan 0.000 0.341 196 G C -2.043 173.037 174.900 0.301 0.000 1.287 196 G CA -0.377 44.774 45.100 0.084 0.000 0.984 196 G HN -0.134 8.249 8.290 0.155 0.000 0.526 197 D N 1.481 121.981 120.400 0.166 0.000 2.362 197 D HA -0.002 nan 4.640 nan 0.000 0.242 197 D C 0.251 176.655 176.300 0.174 0.000 1.132 197 D CA 0.491 54.573 54.000 0.137 0.000 0.907 197 D CB 0.411 41.250 40.800 0.065 0.000 1.195 197 D HN 0.152 8.581 8.370 0.097 0.000 0.429 198 D N 2.229 122.687 120.400 0.097 0.000 2.123 198 D HA -0.250 nan 4.640 nan 0.000 0.196 198 D C 1.669 177.998 176.300 0.048 0.000 0.992 198 D CA 3.430 57.462 54.000 0.053 0.000 0.833 198 D CB -0.196 40.574 40.800 -0.050 0.000 0.954 198 D HN 0.286 8.684 8.370 0.047 0.000 0.455 199 K N -3.207 117.210 120.400 0.029 0.000 2.211 199 K HA -0.173 nan 4.320 nan 0.000 0.203 199 K C 0.217 176.826 176.600 0.015 0.000 1.050 199 K CA 1.856 58.153 56.287 0.016 0.000 0.945 199 K CB -0.198 32.309 32.500 0.011 0.000 0.732 199 K HN 0.121 8.381 8.250 0.026 0.005 0.451 200 N N -2.605 116.112 118.700 0.029 0.000 2.673 200 N HA 0.079 nan 4.740 nan 0.000 0.265 200 N C -1.896 173.622 175.510 0.013 0.000 1.709 200 N CA -0.434 52.623 53.050 0.012 0.000 0.792 200 N CB 0.718 39.212 38.487 0.012 0.000 1.286 200 N HN -0.919 7.344 8.380 0.050 0.147 0.506 201 A N 0.037 122.867 122.820 0.017 0.000 2.287 201 A HA 0.336 nan 4.320 nan 0.000 0.273 201 A C -1.864 175.664 177.584 -0.093 0.000 1.091 201 A CA -0.635 51.391 52.037 -0.019 0.000 0.817 201 A CB 1.511 20.527 19.000 0.026 0.000 1.069 201 A HN -0.153 8.013 8.150 0.025 0.000 0.492 202 T N -1.364 113.108 114.554 -0.137 0.000 2.932 202 T HA 0.741 nan 4.350 nan 0.000 0.289 202 T C -2.262 172.323 174.700 -0.192 0.000 1.039 202 T CA -1.917 60.113 62.100 -0.117 0.000 1.024 202 T CB 2.530 71.356 68.868 -0.071 0.000 1.090 202 T HN -0.111 8.022 8.240 -0.179 0.000 0.496 203 A N 4.143 126.882 122.820 -0.135 0.000 2.340 203 A HA 0.740 nan 4.320 nan 0.000 0.297 203 A C -1.500 175.950 177.584 -0.222 0.000 1.195 203 A CA -1.564 50.332 52.037 -0.235 0.000 0.769 203 A CB 1.761 20.629 19.000 -0.220 0.000 1.163 203 A HN 0.624 8.749 8.150 -0.040 0.000 0.472 204 S N 5.189 120.734 115.700 -0.257 0.000 2.523 204 S HA 0.352 nan 4.470 nan 0.000 0.275 204 S C -1.022 173.385 174.600 -0.322 0.000 1.281 204 S CA -0.636 57.476 58.200 -0.146 0.000 1.050 204 S CB 0.889 64.036 63.200 -0.089 0.000 0.937 204 S HN 0.379 8.523 8.310 -0.277 0.000 0.492 205 F N 5.293 125.267 119.950 0.041 0.000 2.308 205 F HA 0.417 nan 4.527 nan 0.000 0.370 205 F C -1.034 174.827 175.800 0.102 0.000 1.100 205 F CA -0.971 57.073 58.000 0.074 0.000 1.108 205 F CB 0.370 39.410 39.000 0.066 0.000 1.293 205 F HN 0.389 8.766 8.300 0.306 0.107 0.478 206 I N 3.889 124.572 120.570 0.189 0.000 2.321 206 I HA 0.403 nan 4.170 nan 0.000 0.291 206 I C -2.196 174.077 176.117 0.261 0.000 0.998 206 I CA -0.697 60.725 61.300 0.204 0.000 1.227 206 I CB 1.538 39.635 38.000 0.162 0.000 1.368 206 I HN 0.404 8.684 8.210 0.117 0.000 0.466 207 Y N 9.241 129.605 120.300 0.107 0.000 2.338 207 Y HA 0.171 nan 4.550 nan 0.000 0.333 207 Y C -1.643 174.293 175.900 0.060 0.000 0.968 207 Y CA -1.285 56.860 58.100 0.074 0.000 1.123 207 Y CB 3.007 41.515 38.460 0.080 0.000 1.165 207 Y HN 0.643 9.097 8.280 0.289 0.000 0.452 208 D N 8.208 128.319 120.400 -0.481 0.000 2.705 208 D HA -0.373 nan 4.640 nan 0.000 0.240 208 D C 0.069 176.316 176.300 -0.088 0.000 1.137 208 D CA 1.051 54.837 54.000 -0.356 0.000 0.677 208 D CB -0.268 40.256 40.800 -0.460 0.000 1.049 208 D HN 0.100 8.129 8.370 -0.569 0.000 0.427 209 G N -3.553 105.233 108.800 -0.023 0.000 2.640 209 G HA2 -0.404 nan 3.960 nan 0.000 0.226 209 G HA3 -0.404 nan 3.960 nan 0.000 0.226 209 G C -0.580 174.344 174.900 0.039 0.000 1.222 209 G CA 0.292 45.400 45.100 0.012 0.000 0.729 209 G HN 0.279 8.561 8.290 -0.013 0.000 0.516 210 R N 1.063 121.598 120.500 0.058 0.000 2.500 210 R HA 0.065 nan 4.340 nan 0.000 0.275 210 R C -0.981 175.383 176.300 0.108 0.000 1.051 210 R CA -0.890 55.255 56.100 0.076 0.000 1.088 210 R CB 1.234 31.581 30.300 0.078 0.000 1.063 210 R HN -0.485 7.729 8.270 0.054 0.088 0.511 211 L N 2.244 123.520 121.223 0.089 0.000 2.312 211 L HA 0.106 nan 4.340 nan 0.000 0.287 211 L C -0.286 176.653 176.870 0.115 0.000 1.091 211 L CA 0.189 55.090 54.840 0.101 0.000 0.846 211 L CB 0.077 42.175 42.059 0.066 0.000 1.219 211 L HN 0.105 8.376 8.230 0.068 0.000 0.439 212 V N 6.013 126.021 119.914 0.156 0.000 2.878 212 V HA 0.068 nan 4.120 nan 0.000 0.250 212 V C -1.017 175.145 176.094 0.114 0.000 1.075 212 V CA 1.023 63.404 62.300 0.134 0.000 1.096 212 V CB 0.564 32.476 31.823 0.148 0.000 0.724 212 V HN 0.575 8.881 8.190 0.193 0.000 0.467 213 D N -3.687 116.818 120.400 0.175 0.000 2.779 213 D HA 0.248 nan 4.640 nan 0.000 0.331 213 D C -2.526 173.954 176.300 0.300 0.000 1.331 213 D CA -0.409 53.684 54.000 0.155 0.000 0.866 213 D CB 3.797 44.606 40.800 0.016 0.000 1.409 213 D HN -0.525 7.986 8.370 0.236 0.000 0.486 214 S N -2.425 113.451 115.700 0.293 0.000 2.627 214 S HA 0.647 nan 4.470 nan 0.000 0.268 214 S C -2.005 172.756 174.600 0.268 0.000 1.130 214 S CA -0.203 58.210 58.200 0.355 0.000 0.819 214 S CB 2.884 66.180 63.200 0.160 0.000 1.100 214 S HN 0.093 8.500 8.310 0.163 0.000 0.465 215 I N -0.989 119.737 120.570 0.259 0.000 2.908 215 I HA 0.338 nan 4.170 nan 0.000 0.300 215 I C -2.020 174.155 176.117 0.097 0.000 1.385 215 I CA -0.853 60.565 61.300 0.198 0.000 1.004 215 I CB 3.789 41.974 38.000 0.308 0.000 1.309 215 I HN 0.006 8.352 8.210 0.227 0.000 0.449 216 G N 2.161 111.004 108.800 0.073 0.000 2.491 216 G HA2 0.453 nan 3.960 nan 0.000 0.327 216 G HA3 0.453 nan 3.960 nan 0.000 0.327 216 G C -1.912 172.947 174.900 -0.069 0.000 1.189 216 G CA -1.537 43.563 45.100 0.001 0.000 0.956 216 G HN -0.015 8.341 8.290 0.110 0.000 0.491 217 S N 0.210 115.821 115.700 -0.148 0.000 2.544 217 S HA -0.167 nan 4.470 nan 0.000 0.290 217 S C 0.756 175.253 174.600 -0.172 0.000 1.276 217 S CA 0.368 58.386 58.200 -0.303 0.000 1.075 217 S CB 0.749 63.840 63.200 -0.181 0.000 0.849 217 S HN -0.239 8.012 8.310 -0.099 0.000 0.494 218 W N 4.782 126.110 121.300 0.047 0.000 2.942 218 W HA 0.290 nan 4.660 nan 0.000 0.263 218 W C -0.685 175.852 176.519 0.030 0.000 1.296 218 W CA -0.660 56.706 57.345 0.035 0.000 1.504 218 W CB -0.096 29.384 29.460 0.033 0.000 1.096 218 W HN 0.032 7.550 8.180 -1.205 -0.062 0.639 219 S N -1.198 114.569 115.700 0.112 0.000 2.701 219 S HA 0.119 nan 4.470 nan 0.000 0.242 219 S C -0.692 173.932 174.600 0.039 0.000 1.025 219 S CA -0.477 57.810 58.200 0.145 0.000 1.016 219 S CB 0.954 64.277 63.200 0.205 0.000 0.977 219 S HN -0.402 8.153 8.310 -0.203 -0.366 0.546 220 Q N -2.708 117.084 119.800 -0.014 0.000 2.457 220 Q HA -0.351 nan 4.340 nan 0.000 0.283 220 Q C -1.909 174.085 176.000 -0.010 0.000 1.234 220 Q CA 1.222 57.018 55.803 -0.012 0.000 0.877 220 Q CB -1.921 26.825 28.738 0.012 0.000 1.250 220 Q HN -0.330 7.860 8.270 -0.047 0.052 0.481 221 N N -1.356 117.329 118.700 -0.025 0.000 2.751 221 N HA 0.200 nan 4.740 nan 0.000 0.234 221 N C -1.582 173.921 175.510 -0.013 0.000 1.403 221 N CA -0.170 52.873 53.050 -0.012 0.000 0.747 221 N CB 0.584 39.072 38.487 0.000 0.000 1.326 221 N HN -0.283 8.322 8.380 -0.058 -0.259 0.532 222 I N -0.885 119.686 120.570 0.001 0.000 7.004 222 I HA -0.525 nan 4.170 nan 0.000 0.126 222 I C -1.179 174.986 176.117 0.081 0.000 1.826 222 I CA 0.646 61.967 61.300 0.036 0.000 2.066 222 I CB -1.884 36.085 38.000 -0.052 0.000 3.565 222 I HN 0.316 8.412 8.210 0.008 0.119 0.178 223 L N 2.211 123.453 121.223 0.033 0.000 2.700 223 L HA -0.173 nan 4.340 nan 0.000 0.276 223 L C -0.923 176.002 176.870 0.092 0.000 1.200 223 L CA 1.284 56.060 54.840 -0.106 0.000 0.951 223 L CB -0.253 41.632 42.059 -0.290 0.000 1.226 223 L HN -0.140 8.103 8.230 0.021 0.000 0.489 224 R N 4.443 124.993 120.500 0.082 0.000 2.837 224 R HA 0.628 nan 4.340 nan 0.000 0.271 224 R C -2.004 174.360 176.300 0.106 0.000 0.993 224 R CA -2.122 54.077 56.100 0.165 0.000 0.931 224 R CB 3.339 33.748 30.300 0.181 0.000 1.206 224 R HN 0.496 8.786 8.270 0.033 0.000 0.474 225 T N -1.097 113.518 114.554 0.102 0.000 2.762 225 T HA 0.501 nan 4.350 nan 0.000 0.272 225 T C 0.137 174.874 174.700 0.061 0.000 0.982 225 T CA -2.144 59.998 62.100 0.070 0.000 1.013 225 T CB 1.838 70.724 68.868 0.029 0.000 1.309 225 T HN 0.276 8.596 8.240 0.132 0.000 0.572 226 Q N 0.270 120.083 119.800 0.021 0.000 2.082 226 Q HA -0.321 nan 4.340 nan 0.000 0.211 226 Q C 1.347 177.351 176.000 0.008 0.000 1.002 226 Q CA 3.175 58.977 55.803 -0.002 0.000 0.868 226 Q CB 0.479 29.191 28.738 -0.044 0.000 0.931 226 Q HN 0.495 8.773 8.270 0.013 0.000 0.414 227 E N -7.240 112.925 120.200 -0.058 0.000 3.435 227 E HA -0.352 nan 4.350 nan 0.000 0.312 227 E C -1.791 174.672 176.600 -0.228 0.000 0.869 227 E CA 1.060 57.452 56.400 -0.013 0.000 1.112 227 E CB -1.831 28.028 29.700 0.264 0.000 1.561 227 E HN 0.290 8.585 8.360 -0.108 0.000 0.417 228 S N -5.131 110.249 115.700 -0.534 0.000 2.672 228 S HA 0.205 nan 4.470 nan 0.000 0.271 228 S C -2.044 172.228 174.600 -0.547 0.000 1.171 228 S CA -1.480 56.402 58.200 -0.531 0.000 0.817 228 S CB 2.734 65.991 63.200 0.094 0.000 1.150 228 S HN -0.902 7.107 8.310 -0.435 0.040 0.478 229 E N 0.025 120.128 120.200 -0.161 0.000 2.480 229 E HA -0.121 nan 4.350 nan 0.000 0.258 229 E C -0.209 176.390 176.600 -0.003 0.000 0.984 229 E CA 0.003 56.402 56.400 -0.002 0.000 0.930 229 E CB 0.392 30.209 29.700 0.194 0.000 0.936 229 E HN 0.276 8.668 8.360 0.053 0.000 0.466 230 c N 2.147 120.747 118.600 0.000 0.000 2.480 230 c HA 0.588 nan 4.570 nan 0.000 0.358 230 c C -0.536 173.569 174.090 0.024 0.000 1.309 230 c CA -2.446 53.883 56.329 -0.000 0.000 2.465 230 c CB 0.479 42.997 42.510 0.014 0.000 2.379 230 c HN -0.184 7.938 8.230 0.013 0.116 0.642 231 V N -2.353 117.555 119.914 -0.011 0.000 2.789 231 V HA 0.584 nan 4.120 nan 0.000 0.311 231 V C -2.394 173.731 176.094 0.051 0.000 1.073 231 V CA -1.414 60.886 62.300 0.001 0.000 0.921 231 V CB 3.695 35.421 31.823 -0.162 0.000 1.009 231 V HN -0.096 8.068 8.190 -0.043 0.000 0.426 232 c N 4.843 123.566 118.600 0.205 0.000 2.634 232 c HA 0.932 nan 4.570 nan 0.000 0.313 232 c C -1.491 172.796 174.090 0.327 0.000 1.198 232 c CA -2.424 54.027 56.329 0.203 0.000 1.605 232 c CB 2.210 44.840 42.510 0.200 0.000 2.196 232 c HN 0.446 8.893 8.230 0.363 0.000 0.486 233 I N 0.266 120.960 120.570 0.208 0.000 2.534 233 I HA 0.125 nan 4.170 nan 0.000 0.288 233 I C -0.940 175.234 176.117 0.096 0.000 1.077 233 I CA -0.500 60.947 61.300 0.245 0.000 1.051 233 I CB 3.353 41.518 38.000 0.274 0.000 1.234 233 I HN 0.111 8.392 8.210 0.118 0.000 0.425 234 N N 6.848 125.587 118.700 0.065 0.000 2.727 234 N HA -0.365 nan 4.740 nan 0.000 0.249 234 N C 0.290 175.578 175.510 -0.370 0.000 1.048 234 N CA 1.220 54.234 53.050 -0.060 0.000 0.714 234 N CB -2.052 36.435 38.487 0.000 0.000 0.959 234 N HN 0.950 9.293 8.380 0.120 0.109 0.544 235 G N -6.654 101.812 108.800 -0.558 0.000 2.179 235 G HA2 -0.482 nan 3.960 nan 0.000 0.260 235 G HA3 -0.482 nan 3.960 nan 0.000 0.260 235 G C -1.388 173.303 174.900 -0.349 0.000 0.977 235 G CA 0.827 45.343 45.100 -0.974 0.000 0.641 235 G HN 0.409 8.550 8.290 -0.226 0.014 0.533 236 T N 2.578 117.049 114.554 -0.139 0.000 2.791 236 T HA 0.435 nan 4.350 nan 0.000 0.288 236 T C -1.234 173.477 174.700 0.019 0.000 0.999 236 T CA -0.604 61.485 62.100 -0.017 0.000 0.952 236 T CB 1.172 70.078 68.868 0.064 0.000 0.938 236 T HN -0.593 7.422 8.240 -0.107 0.161 0.444 237 c N 7.551 126.163 118.600 0.019 0.000 2.307 237 c HA 0.722 nan 4.570 nan 0.000 0.340 237 c C -0.856 173.180 174.090 -0.090 0.000 1.275 237 c CA -1.165 55.169 56.329 0.009 0.000 1.811 237 c CB 0.209 42.760 42.510 0.068 0.000 2.372 237 c HN 0.862 9.104 8.230 0.020 0.000 0.531 238 T N 6.665 121.100 114.554 -0.199 0.000 2.770 238 T HA 0.461 nan 4.350 nan 0.000 0.297 238 T C -1.697 172.875 174.700 -0.214 0.000 0.997 238 T CA -0.646 61.211 62.100 -0.406 0.000 0.949 238 T CB 0.954 69.318 68.868 -0.840 0.000 0.941 238 T HN 0.572 8.723 8.240 -0.147 0.000 0.457 239 V N 8.841 128.689 119.914 -0.109 0.000 2.630 239 V HA 0.745 nan 4.120 nan 0.000 0.305 239 V C -2.444 173.651 176.094 0.001 0.000 1.046 239 V CA -2.183 60.108 62.300 -0.015 0.000 0.934 239 V CB 3.618 35.491 31.823 0.082 0.000 1.003 239 V HN 0.086 8.216 8.190 -0.099 0.000 0.451 240 V N 1.564 121.491 119.914 0.022 0.000 2.715 240 V HA 0.919 nan 4.120 nan 0.000 0.310 240 V C -1.822 174.345 176.094 0.121 0.000 1.054 240 V CA -3.379 58.956 62.300 0.059 0.000 0.928 240 V CB 2.490 34.327 31.823 0.023 0.000 1.007 240 V HN 0.182 8.380 8.190 0.013 0.000 0.437 241 M N 0.952 120.675 119.600 0.205 0.000 2.470 241 M HA 0.674 nan 4.480 nan 0.000 0.285 241 M C -2.182 174.338 176.300 0.365 0.000 1.213 241 M CA -0.962 54.499 55.300 0.268 0.000 0.901 241 M CB 4.149 36.962 32.600 0.354 0.000 1.718 241 M HN 0.957 9.268 8.290 0.216 0.109 0.469 242 T N 0.412 115.130 114.554 0.274 0.000 2.906 242 T HA 0.682 nan 4.350 nan 0.000 0.295 242 T C -2.923 171.895 174.700 0.197 0.000 1.075 242 T CA -1.455 60.816 62.100 0.285 0.000 1.005 242 T CB 2.793 71.723 68.868 0.104 0.000 1.136 242 T HN 0.413 8.761 8.240 0.179 0.000 0.498 243 D N 3.594 124.140 120.400 0.244 0.000 2.927 243 D HA 0.750 nan 4.640 nan 0.000 0.219 243 D C -1.407 174.970 176.300 0.129 0.000 1.248 243 D CA -1.192 52.834 54.000 0.042 0.000 0.861 243 D CB 3.357 43.941 40.800 -0.362 0.000 1.677 243 D HN -0.174 8.328 8.370 0.389 0.101 0.511 244 G N 4.296 113.135 108.800 0.065 0.000 2.384 244 G HA2 -0.081 nan 3.960 nan 0.000 0.150 244 G HA3 -0.081 nan 3.960 nan 0.000 0.150 244 G C -2.506 172.420 174.900 0.044 0.000 1.269 244 G CA 0.327 45.467 45.100 0.067 0.000 1.094 244 G HN 0.170 8.479 8.290 0.032 0.000 0.467 245 S N 2.220 117.942 115.700 0.036 0.000 2.480 245 S HA 0.281 nan 4.470 nan 0.000 0.286 245 S C 0.842 175.507 174.600 0.109 0.000 1.180 245 S CA -2.358 55.844 58.200 0.004 0.000 1.075 245 S CB 0.867 63.995 63.200 -0.119 0.000 0.996 245 S HN -0.252 8.077 8.310 0.032 0.000 0.487 246 A N 7.007 129.877 122.820 0.084 0.000 1.902 246 A HA -0.108 nan 4.320 nan 0.000 0.217 246 A C 0.275 177.885 177.584 0.043 0.000 1.181 246 A CA 2.700 54.837 52.037 0.167 0.000 0.623 246 A CB 0.012 19.068 19.000 0.093 0.000 0.818 246 A HN 0.723 8.895 8.150 0.036 0.000 0.443 247 S N -2.801 112.830 115.700 -0.114 0.000 2.384 247 S HA 0.144 nan 4.470 nan 0.000 0.227 247 S C -1.756 172.484 174.600 -0.599 0.000 1.257 247 S CA -0.625 57.455 58.200 -0.200 0.000 1.249 247 S CB -0.323 62.872 63.200 -0.009 0.000 1.018 247 S HN -0.072 8.186 8.310 -0.086 0.000 0.478 248 G N -1.032 107.165 108.800 -1.005 0.000 2.441 248 G HA2 0.001 nan 3.960 nan 0.000 0.294 248 G HA3 0.001 nan 3.960 nan 0.000 0.294 248 G C -3.111 171.132 174.900 -1.096 0.000 1.393 248 G CA 0.024 44.163 45.100 -1.603 0.000 0.796 248 G HN -0.969 6.879 8.290 -0.737 0.000 0.494 249 R N -2.016 117.879 120.500 -1.009 0.000 2.587 249 R HA -0.179 nan 4.340 nan 0.000 0.268 249 R C -1.068 175.196 176.300 -0.060 0.000 0.978 249 R CA 1.440 57.342 56.100 -0.330 0.000 1.097 249 R CB 0.460 30.651 30.300 -0.183 0.000 0.917 249 R HN 0.214 7.783 8.270 -1.168 0.000 0.414 250 A N 3.428 126.300 122.820 0.087 0.000 2.507 250 A HA 0.400 nan 4.320 nan 0.000 0.284 250 A C -1.973 175.680 177.584 0.115 0.000 1.281 250 A CA -1.329 50.767 52.037 0.098 0.000 0.744 250 A CB 3.022 22.065 19.000 0.071 0.000 1.332 250 A HN 0.052 8.280 8.150 0.130 0.000 0.454 251 D N -0.760 119.744 120.400 0.174 0.000 2.389 251 D HA 0.210 nan 4.640 nan 0.000 0.256 251 D C -1.142 175.301 176.300 0.238 0.000 1.239 251 D CA -0.745 53.372 54.000 0.194 0.000 0.925 251 D CB 1.488 42.455 40.800 0.279 0.000 1.145 251 D HN 0.086 8.479 8.370 0.199 0.097 0.542 252 T N 5.744 120.361 114.554 0.105 0.000 2.799 252 T HA 0.478 nan 4.350 nan 0.000 0.286 252 T C -1.169 173.532 174.700 0.003 0.000 0.973 252 T CA -0.061 62.098 62.100 0.099 0.000 1.035 252 T CB 0.870 69.772 68.868 0.055 0.000 0.932 252 T HN 0.337 8.617 8.240 0.067 0.000 0.469 253 R N 3.439 123.949 120.500 0.017 0.000 2.744 253 R HA 0.945 nan 4.340 nan 0.000 0.279 253 R C -1.945 174.382 176.300 0.045 0.000 0.977 253 R CA -2.021 54.017 56.100 -0.103 0.000 0.906 253 R CB 4.313 34.318 30.300 -0.492 0.000 1.197 253 R HN 1.160 9.413 8.270 0.154 0.109 0.463 254 I N 2.314 122.929 120.570 0.075 0.000 2.382 254 I HA 0.542 nan 4.170 nan 0.000 0.286 254 I C -1.732 174.508 176.117 0.205 0.000 1.002 254 I CA -1.041 60.328 61.300 0.115 0.000 1.135 254 I CB 1.887 39.972 38.000 0.143 0.000 1.288 254 I HN 0.761 9.010 8.210 0.065 0.000 0.448 255 L N 6.510 127.803 121.223 0.117 0.000 2.307 255 L HA 0.640 nan 4.340 nan 0.000 0.282 255 L C -1.379 175.508 176.870 0.028 0.000 1.051 255 L CA -0.774 54.166 54.840 0.167 0.000 0.804 255 L CB 1.043 43.208 42.059 0.177 0.000 1.197 255 L HN 0.897 9.164 8.230 0.061 0.000 0.431 256 F N 3.672 123.676 119.950 0.090 0.000 2.382 256 F HA 0.450 nan 4.527 nan 0.000 0.361 256 F C -1.399 174.420 175.800 0.032 0.000 1.109 256 F CA -1.267 56.796 58.000 0.105 0.000 1.031 256 F CB 1.284 40.426 39.000 0.237 0.000 1.234 256 F HN 0.606 9.199 8.300 0.488 0.000 0.445 257 I N 2.829 123.460 120.570 0.102 0.000 2.389 257 I HA 0.684 nan 4.170 nan 0.000 0.288 257 I C -2.223 173.888 176.117 -0.010 0.000 0.999 257 I CA -1.792 59.516 61.300 0.015 0.000 1.129 257 I CB 2.949 40.941 38.000 -0.013 0.000 1.288 257 I HN 0.966 9.210 8.210 0.056 0.000 0.444 258 E N 9.129 129.295 120.200 -0.057 0.000 2.092 258 E HA 0.231 nan 4.350 nan 0.000 0.271 258 E C -0.633 175.813 176.600 -0.256 0.000 0.919 258 E CA -1.232 55.095 56.400 -0.122 0.000 0.760 258 E CB 0.642 30.295 29.700 -0.079 0.000 1.106 258 E HN 0.678 9.005 8.360 -0.055 0.000 0.408 259 E N 5.026 124.919 120.200 -0.511 0.000 2.320 259 E HA -0.320 nan 4.350 nan 0.000 0.234 259 E C -0.838 175.264 176.600 -0.829 0.000 1.183 259 E CA 0.479 56.173 56.400 -1.176 0.000 0.713 259 E CB -1.750 27.630 29.700 -0.533 0.000 1.226 259 E HN 0.919 9.033 8.360 -0.410 0.000 0.382 260 G N -6.144 102.381 108.800 -0.458 0.000 2.212 260 G HA2 -0.398 nan 3.960 nan 0.000 0.266 260 G HA3 -0.398 nan 3.960 nan 0.000 0.266 260 G C -0.607 174.278 174.900 -0.025 0.000 0.978 260 G CA 0.329 45.426 45.100 -0.006 0.000 0.632 260 G HN 0.239 8.280 8.290 -0.415 0.000 0.537 261 K N 0.868 121.197 120.400 -0.117 0.000 2.213 261 K HA 0.231 nan 4.320 nan 0.000 0.270 261 K C -1.074 175.430 176.600 -0.160 0.000 1.002 261 K CA -2.378 53.836 56.287 -0.122 0.000 0.868 261 K CB 0.939 33.386 32.500 -0.088 0.000 1.093 261 K HN -0.729 7.221 8.250 -0.172 0.198 0.454 262 I N 7.372 127.796 120.570 -0.243 0.000 2.460 262 I HA -0.128 nan 4.170 nan 0.000 0.297 262 I C 0.548 176.604 176.117 -0.103 0.000 1.139 262 I CA 1.490 62.654 61.300 -0.227 0.000 1.340 262 I CB -1.110 36.697 38.000 -0.322 0.000 1.444 262 I HN -0.243 8.008 8.210 -0.271 -0.203 0.557 263 V N 2.994 122.894 119.914 -0.022 0.000 3.623 263 V HA 0.162 nan 4.120 nan 0.000 0.271 263 V C -0.573 175.507 176.094 -0.022 0.000 1.248 263 V CA -0.001 62.292 62.300 -0.012 0.000 1.156 263 V CB 0.142 31.990 31.823 0.041 0.000 0.870 263 V HN 0.818 9.019 8.190 0.019 0.000 0.453 264 H N -1.298 117.691 119.070 -0.134 0.000 2.988 264 H HA 0.167 nan 4.556 nan 0.000 0.284 264 H C -2.962 172.318 175.328 -0.080 0.000 1.284 264 H CA 0.257 56.134 56.048 -0.286 0.000 1.431 264 H CB 3.447 32.697 29.762 -0.854 0.000 1.954 264 H HN -0.648 7.625 8.280 0.079 0.054 0.509 265 I N 3.589 124.158 120.570 -0.000 0.000 2.499 265 I HA 0.346 nan 4.170 nan 0.000 0.288 265 I C -1.243 174.968 176.117 0.156 0.000 1.048 265 I CA -0.629 60.747 61.300 0.127 0.000 1.062 265 I CB 3.099 41.054 38.000 -0.075 0.000 1.238 265 I HN 0.206 8.065 8.210 -0.585 0.000 0.426 266 S N 7.354 123.214 115.700 0.266 0.000 2.503 266 S HA 0.574 nan 4.470 nan 0.000 0.301 266 S C -2.546 172.102 174.600 0.079 0.000 1.087 266 S CA -2.772 55.542 58.200 0.189 0.000 1.042 266 S CB 1.142 64.480 63.200 0.231 0.000 1.043 266 S HN 0.648 9.162 8.310 0.341 0.000 0.489 267 P HA 0.429 nan 4.420 nan 0.000 0.285 267 P C -1.789 175.520 177.300 0.015 0.000 1.269 267 P CA -0.863 62.221 63.100 -0.026 0.000 0.844 267 P CB 0.721 32.386 31.700 -0.058 0.000 1.094 268 L N 0.505 121.734 121.223 0.010 0.000 2.525 268 L HA -0.140 nan 4.340 nan 0.000 0.278 268 L C -0.468 176.422 176.870 0.033 0.000 1.218 268 L CA 1.091 55.949 54.840 0.030 0.000 0.878 268 L CB -0.015 42.064 42.059 0.033 0.000 1.127 268 L HN -0.449 7.774 8.230 -0.012 0.000 0.492 269 A N 4.639 127.482 122.820 0.038 0.000 2.527 269 A HA 0.493 nan 4.320 nan 0.000 0.293 269 A C -1.473 176.135 177.584 0.041 0.000 1.117 269 A CA -0.836 51.223 52.037 0.037 0.000 0.723 269 A CB 2.708 21.727 19.000 0.032 0.000 1.313 269 A HN 0.346 8.520 8.150 0.040 0.000 0.411 270 G N -0.041 108.784 108.800 0.042 0.000 2.428 270 G HA2 -0.201 nan 3.960 nan 0.000 0.202 270 G HA3 -0.201 nan 3.960 nan 0.000 0.202 270 G C -0.762 174.176 174.900 0.062 0.000 1.247 270 G CA 0.005 45.132 45.100 0.045 0.000 1.020 270 G HN 0.020 8.334 8.290 0.039 0.000 0.529 271 S N 1.624 117.371 115.700 0.078 0.000 2.556 271 S HA 0.051 nan 4.470 nan 0.000 0.216 271 S C 0.666 175.384 174.600 0.197 0.000 0.970 271 S CA -0.142 58.120 58.200 0.104 0.000 0.912 271 S CB 0.676 63.921 63.200 0.075 0.000 0.790 271 S HN 0.261 8.616 8.310 0.074 0.000 0.504 272 A N 1.913 124.854 122.820 0.202 0.000 2.498 272 A HA -0.184 nan 4.320 nan 0.000 0.239 272 A C -0.189 177.558 177.584 0.271 0.000 1.068 272 A CA 1.036 53.230 52.037 0.263 0.000 0.766 272 A CB 0.261 19.284 19.000 0.038 0.000 1.003 272 A HN -0.207 8.022 8.150 0.130 0.000 0.497 273 Q N 0.468 120.486 119.800 0.364 0.000 2.217 273 Q HA 0.104 nan 4.340 nan 0.000 0.217 273 Q C -1.148 175.163 176.000 0.518 0.000 0.844 273 Q CA 0.023 56.039 55.803 0.355 0.000 0.957 273 Q CB 1.162 30.026 28.738 0.209 0.000 1.127 273 Q HN -0.178 8.393 8.270 0.502 0.000 0.503 274 H N -2.628 116.597 119.070 0.258 0.000 3.098 274 H HA 0.027 nan 4.556 nan 0.000 0.293 274 H C -2.190 173.213 175.328 0.125 0.000 1.231 274 H CA 0.612 56.804 56.048 0.241 0.000 1.592 274 H CB 1.428 31.395 29.762 0.342 0.000 2.251 274 H HN -0.742 7.715 8.280 0.294 0.000 0.415 275 V N 8.034 127.872 119.914 -0.127 0.000 2.409 275 V HA 0.247 nan 4.120 nan 0.000 0.290 275 V C -2.094 173.913 176.094 -0.145 0.000 1.017 275 V CA -0.519 61.725 62.300 -0.092 0.000 0.841 275 V CB 1.534 33.333 31.823 -0.041 0.000 1.003 275 V HN 0.472 8.509 8.190 -0.254 0.000 0.426 276 E N 5.773 125.926 120.200 -0.079 0.000 2.317 276 E HA 0.389 nan 4.350 nan 0.000 0.270 276 E C -1.384 175.213 176.600 -0.006 0.000 0.885 276 E CA -1.948 54.431 56.400 -0.036 0.000 0.760 276 E CB 4.385 34.090 29.700 0.007 0.000 1.227 276 E HN 0.172 8.512 8.360 -0.034 0.000 0.434 277 E N -1.501 118.709 120.200 0.017 0.000 2.173 277 E HA -0.429 nan 4.350 nan 0.000 0.160 277 E C -1.186 175.415 176.600 0.001 0.000 1.581 277 E CA 0.371 56.781 56.400 0.016 0.000 0.618 277 E CB -1.932 27.777 29.700 0.015 0.000 1.049 277 E HN 0.483 8.864 8.360 0.036 0.000 0.311 278 c N 1.570 120.175 118.600 0.007 0.000 2.644 278 c HA 0.157 nan 4.570 nan 0.000 0.417 278 c C 0.553 174.667 174.090 0.040 0.000 1.304 278 c CA 0.268 56.604 56.329 0.011 0.000 2.035 278 c CB 0.294 42.800 42.510 -0.006 0.000 2.673 278 c HN 0.111 8.347 8.230 0.010 0.000 0.602 279 S N 4.042 119.791 115.700 0.082 0.000 2.448 279 S HA 0.348 nan 4.470 nan 0.000 0.320 279 S C -1.620 173.062 174.600 0.136 0.000 1.071 279 S CA -0.108 58.184 58.200 0.154 0.000 1.113 279 S CB 0.809 64.164 63.200 0.258 0.000 0.972 279 S HN 0.840 9.085 8.310 0.077 0.112 0.465 280 c N 5.409 124.063 118.600 0.089 0.000 2.562 280 c HA 0.914 nan 4.570 nan 0.000 0.332 280 c C -1.431 172.694 174.090 0.059 0.000 1.201 280 c CA -1.797 54.522 56.329 -0.015 0.000 1.803 280 c CB 3.105 45.566 42.510 -0.081 0.000 2.328 280 c HN 0.651 8.936 8.230 0.092 0.000 0.500 281 Y N -1.932 118.313 120.300 -0.092 0.000 2.609 281 Y HA 0.510 nan 4.550 nan 0.000 0.336 281 Y C -3.408 172.344 175.900 -0.246 0.000 1.129 281 Y CA -3.302 54.678 58.100 -0.200 0.000 1.040 281 Y CB -0.168 38.187 38.460 -0.176 0.000 1.310 281 Y HN 0.660 8.661 8.280 -0.465 0.000 0.460 282 P HA 0.416 nan 4.420 nan 0.000 0.276 282 P C -1.324 175.994 177.300 0.029 0.000 1.244 282 P CA -0.181 62.792 63.100 -0.211 0.000 0.801 282 P CB 1.279 32.656 31.700 -0.539 0.000 1.006 283 R N -1.072 119.450 120.500 0.037 0.000 2.672 283 R HA 0.250 nan 4.340 nan 0.000 0.228 283 R C -0.676 175.672 176.300 0.081 0.000 1.501 283 R CA -0.551 55.605 56.100 0.094 0.000 1.514 283 R CB 1.789 32.131 30.300 0.070 0.000 1.489 283 R HN 0.662 8.843 8.270 -0.003 0.088 0.747 284 Y N 4.083 124.410 120.300 0.045 0.000 3.083 284 Y HA -0.273 nan 4.550 nan 0.000 0.350 284 Y C -1.375 174.550 175.900 0.042 0.000 1.266 284 Y CA 0.148 58.282 58.100 0.056 0.000 1.594 284 Y CB 0.148 38.663 38.460 0.092 0.000 1.179 284 Y HN 0.297 8.740 8.280 0.270 0.000 0.602 285 P HA 0.215 nan 4.420 nan 0.000 0.236 285 P C -2.067 175.019 177.300 -0.356 0.000 1.709 285 P CA -0.259 62.237 63.100 -1.007 0.000 0.942 285 P CB -0.064 31.019 31.700 -1.028 0.000 1.615 286 G N -1.409 107.284 108.800 -0.178 0.000 3.022 286 G HA2 0.559 nan 3.960 nan 0.000 0.284 286 G HA3 0.559 nan 3.960 nan 0.000 0.284 286 G C -3.008 171.838 174.900 -0.091 0.000 1.375 286 G CA -0.866 44.169 45.100 -0.108 0.000 0.902 286 G HN -0.314 7.747 8.290 -0.134 0.148 0.538 287 V N -2.208 117.636 119.914 -0.115 0.000 2.735 287 V HA 0.844 nan 4.120 nan 0.000 0.310 287 V C -2.146 173.813 176.094 -0.224 0.000 1.061 287 V CA -1.711 60.483 62.300 -0.177 0.000 0.913 287 V CB 2.986 34.708 31.823 -0.168 0.000 1.005 287 V HN -0.320 7.811 8.190 -0.098 0.000 0.428 288 R N 4.229 124.481 120.500 -0.412 0.000 2.621 288 R HA 0.809 nan 4.340 nan 0.000 0.292 288 R C -2.038 173.945 176.300 -0.527 0.000 0.969 288 R CA -1.451 54.376 56.100 -0.455 0.000 0.887 288 R CB 3.869 33.855 30.300 -0.523 0.000 1.180 288 R HN 0.882 8.830 8.270 -0.537 0.000 0.450 289 c N 4.414 122.868 118.600 -0.244 0.000 2.707 289 c HA 0.926 nan 4.570 nan 0.000 0.313 289 c C -1.355 172.722 174.090 -0.023 0.000 1.209 289 c CA -1.445 54.807 56.329 -0.129 0.000 1.635 289 c CB 3.306 45.769 42.510 -0.078 0.000 2.206 289 c HN 0.200 8.339 8.230 -0.152 0.000 0.485 290 I N 1.814 122.411 120.570 0.044 0.000 2.466 290 I HA 0.711 nan 4.170 nan 0.000 0.289 290 I C -1.603 174.529 176.117 0.026 0.000 1.026 290 I CA -0.915 60.422 61.300 0.061 0.000 1.078 290 I CB 2.753 40.835 38.000 0.137 0.000 1.249 290 I HN 0.716 8.966 8.210 0.067 0.000 0.429 291 c N 6.498 125.080 118.600 -0.030 0.000 3.459 291 c HA 0.914 nan 4.570 nan 0.000 0.358 291 c C -1.944 172.119 174.090 -0.044 0.000 2.992 291 c CA -2.751 53.559 56.329 -0.032 0.000 1.568 291 c CB 3.868 46.354 42.510 -0.040 0.000 3.388 291 c HN 0.698 8.888 8.230 -0.067 0.000 0.515 292 R N 0.929 121.413 120.500 -0.026 0.000 2.393 292 R HA 0.256 nan 4.340 nan 0.000 0.315 292 R C -1.957 174.397 176.300 0.090 0.000 0.952 292 R CA -0.731 55.376 56.100 0.010 0.000 0.842 292 R CB 2.205 32.503 30.300 -0.004 0.000 1.163 292 R HN 0.444 8.701 8.270 -0.023 0.000 0.450 293 D N 8.044 128.518 120.400 0.123 0.000 2.396 293 D HA 0.078 nan 4.640 nan 0.000 0.225 293 D C -1.304 175.149 176.300 0.256 0.000 1.121 293 D CA -0.804 53.351 54.000 0.258 0.000 0.853 293 D CB 0.533 41.479 40.800 0.243 0.000 1.043 293 D HN -0.025 8.388 8.370 0.072 0.000 0.500 294 N N 7.347 126.286 118.700 0.398 0.000 2.322 294 N HA -0.009 nan 4.740 nan 0.000 0.194 294 N C -0.704 174.860 175.510 0.091 0.000 1.126 294 N CA -0.038 53.152 53.050 0.233 0.000 0.845 294 N CB 0.634 39.317 38.487 0.326 0.000 0.976 294 N HN 0.279 9.146 8.380 0.812 0.000 0.475 295 W N 1.409 122.572 121.300 -0.230 0.000 3.434 295 W HA 0.260 nan 4.660 nan 0.000 0.238 295 W C -1.000 175.464 176.519 -0.092 0.000 0.910 295 W CA 1.872 59.058 57.345 -0.265 0.000 2.222 295 W CB 2.437 31.605 29.460 -0.487 0.000 1.131 295 W HN -0.039 8.408 8.180 0.158 -0.172 0.636 296 K N -4.900 115.321 120.400 -0.299 0.000 2.438 296 K HA 0.329 nan 4.320 nan 0.000 0.206 296 K C -0.319 176.179 176.600 -0.170 0.000 1.081 296 K CA -0.711 55.331 56.287 -0.407 0.000 1.053 296 K CB 1.561 33.592 32.500 -0.781 0.000 0.908 296 K HN -0.016 8.383 8.250 -0.142 -0.235 0.556 297 G N -1.226 107.570 108.800 -0.006 0.000 2.388 297 G HA2 0.306 nan 3.960 nan 0.000 0.330 297 G HA3 0.306 nan 3.960 nan 0.000 0.330 297 G C -1.166 173.784 174.900 0.084 0.000 1.142 297 G CA -0.799 44.357 45.100 0.094 0.000 0.908 297 G HN -0.370 8.242 8.290 0.037 -0.299 0.473 298 S N 1.907 117.643 115.700 0.060 0.000 2.564 298 S HA 0.241 nan 4.470 nan 0.000 0.231 298 S C -0.733 173.903 174.600 0.060 0.000 1.067 298 S CA -0.136 58.087 58.200 0.037 0.000 0.908 298 S CB 1.076 64.278 63.200 0.002 0.000 0.809 298 S HN 0.063 8.631 8.310 0.041 -0.233 0.491 299 N N 0.396 119.163 118.700 0.110 0.000 2.445 299 N HA -0.091 nan 4.740 nan 0.000 0.264 299 N C -1.079 174.565 175.510 0.223 0.000 1.227 299 N CA -1.093 52.056 53.050 0.164 0.000 0.963 299 N CB 0.714 39.313 38.487 0.187 0.000 1.188 299 N HN -0.912 7.675 8.380 0.099 -0.148 0.491 300 R N -2.320 118.241 120.500 0.102 0.000 2.407 300 R HA 0.444 nan 4.340 nan 0.000 0.303 300 R C -2.274 173.796 176.300 -0.384 0.000 0.981 300 R CA -2.779 53.272 56.100 -0.082 0.000 0.905 300 R CB 1.307 31.570 30.300 -0.062 0.000 1.099 300 R HN 0.329 8.656 8.270 0.094 0.000 0.459 301 P HA 0.069 nan 4.420 nan 0.000 0.275 301 P C -1.789 175.314 177.300 -0.328 0.000 1.227 301 P CA -0.158 62.442 63.100 -0.834 0.000 0.781 301 P CB 0.182 31.558 31.700 -0.541 0.000 0.906 302 V N 2.889 122.668 119.914 -0.226 0.000 2.513 302 V HA 0.507 nan 4.120 nan 0.000 0.299 302 V C -0.949 175.121 176.094 -0.040 0.000 1.035 302 V CA -0.897 61.374 62.300 -0.047 0.000 0.889 302 V CB 2.585 34.425 31.823 0.029 0.000 0.988 302 V HN 0.507 8.396 8.190 -0.283 0.131 0.440 303 V N 7.083 126.986 119.914 -0.019 0.000 2.398 303 V HA 0.322 nan 4.120 nan 0.000 0.282 303 V C -1.593 174.491 176.094 -0.018 0.000 1.014 303 V CA -1.077 61.212 62.300 -0.018 0.000 0.838 303 V CB 1.992 33.798 31.823 -0.028 0.000 1.018 303 V HN 0.541 8.620 8.190 -0.012 0.103 0.432 304 D N 8.698 129.101 120.400 0.006 0.000 2.359 304 D HA 0.402 nan 4.640 nan 0.000 0.230 304 D C -1.043 175.258 176.300 0.002 0.000 1.118 304 D CA -0.274 53.726 54.000 0.000 0.000 0.844 304 D CB 1.330 42.151 40.800 0.035 0.000 1.059 304 D HN 0.539 8.816 8.370 0.018 0.104 0.493 305 I N 4.615 125.173 120.570 -0.019 0.000 2.428 305 I HA 0.237 nan 4.170 nan 0.000 0.296 305 I C -1.382 174.739 176.117 0.007 0.000 0.985 305 I CA -0.940 60.371 61.300 0.018 0.000 1.260 305 I CB 1.763 39.754 38.000 -0.015 0.000 1.389 305 I HN 0.317 8.493 8.210 -0.056 0.000 0.484 306 N N 5.472 124.193 118.700 0.035 0.000 2.479 306 N HA 0.361 nan 4.740 nan 0.000 0.261 306 N C -0.155 175.325 175.510 -0.049 0.000 0.979 306 N CA -1.375 51.655 53.050 -0.034 0.000 0.930 306 N CB 1.581 40.036 38.487 -0.052 0.000 1.172 306 N HN 0.053 8.487 8.380 0.091 0.000 0.499 307 M N 3.712 123.270 119.600 -0.070 0.000 2.419 307 M HA -0.074 nan 4.480 nan 0.000 0.264 307 M C 1.684 177.783 176.300 -0.336 0.000 1.082 307 M CA 1.359 56.603 55.300 -0.093 0.000 1.119 307 M CB -1.094 31.488 32.600 -0.029 0.000 1.398 307 M HN 0.352 8.594 8.290 -0.081 0.000 0.453 308 E N -0.305 119.740 120.200 -0.259 0.000 2.153 308 E HA -0.158 nan 4.350 nan 0.000 0.194 308 E C 0.267 176.668 176.600 -0.332 0.000 0.988 308 E CA 2.387 58.638 56.400 -0.249 0.000 0.811 308 E CB 0.472 30.076 29.700 -0.160 0.000 0.746 308 E HN -0.145 8.115 8.360 -0.194 -0.016 0.466 309 D N -5.459 114.702 120.400 -0.399 0.000 2.783 309 D HA 0.102 nan 4.640 nan 0.000 0.306 309 D C -0.497 175.618 176.300 -0.308 0.000 1.633 309 D CA -0.241 53.570 54.000 -0.315 0.000 0.796 309 D CB -0.258 40.471 40.800 -0.118 0.000 1.230 309 D HN -0.187 8.265 8.370 -0.375 -0.307 0.441 310 Y N -4.602 115.433 120.300 -0.442 0.000 4.705 310 Y HA -0.501 nan 4.550 nan 0.000 0.226 310 Y C -0.414 175.349 175.900 -0.229 0.000 1.039 310 Y CA 0.996 58.705 58.100 -0.652 0.000 1.968 310 Y CB -2.835 34.820 38.460 -1.341 0.000 1.614 310 Y HN -0.341 7.311 8.280 -1.047 0.000 0.619 311 S N -1.650 114.023 115.700 -0.045 0.000 2.579 311 S HA 0.002 nan 4.470 nan 0.000 0.275 311 S C -1.249 173.382 174.600 0.052 0.000 1.345 311 S CA 0.488 58.694 58.200 0.009 0.000 1.031 311 S CB 0.877 64.071 63.200 -0.011 0.000 0.892 311 S HN -0.794 7.500 8.310 -0.107 -0.049 0.529 312 I N -0.140 120.463 120.570 0.054 0.000 2.865 312 I HA 0.478 nan 4.170 nan 0.000 0.302 312 I C -1.222 174.918 176.117 0.038 0.000 1.140 312 I CA -1.373 59.962 61.300 0.059 0.000 1.021 312 I CB 3.549 41.594 38.000 0.075 0.000 1.233 312 I HN -0.047 8.188 8.210 0.042 0.000 0.427 313 D N 3.095 123.515 120.400 0.033 0.000 2.655 313 D HA 0.221 nan 4.640 nan 0.000 0.229 313 D C -2.339 173.977 176.300 0.027 0.000 1.229 313 D CA -1.166 52.851 54.000 0.029 0.000 0.807 313 D CB 3.090 43.906 40.800 0.027 0.000 1.514 313 D HN -0.048 8.341 8.370 0.032 0.000 0.444 314 S N 1.069 116.787 115.700 0.030 0.000 2.546 314 S HA 0.771 nan 4.470 nan 0.000 0.274 314 S C -1.467 173.158 174.600 0.042 0.000 1.121 314 S CA -0.919 57.295 58.200 0.023 0.000 0.887 314 S CB 3.177 66.391 63.200 0.024 0.000 1.094 314 S HN 0.028 8.358 8.310 0.034 0.000 0.474 315 S N 1.312 117.030 115.700 0.030 0.000 3.287 315 S HA 0.706 nan 4.470 nan 0.000 0.324 315 S C -1.793 172.882 174.600 0.126 0.000 1.205 315 S CA -0.596 57.665 58.200 0.103 0.000 1.020 315 S CB 2.417 65.625 63.200 0.013 0.000 1.398 315 S HN 0.671 8.859 8.310 -0.019 0.111 0.679 316 Y N -1.690 118.562 120.300 -0.081 0.000 2.581 316 Y HA 0.466 nan 4.550 nan 0.000 0.345 316 Y C -0.017 175.804 175.900 -0.133 0.000 1.036 316 Y CA -0.097 57.958 58.100 -0.075 0.000 1.042 316 Y CB 3.834 42.254 38.460 -0.066 0.000 1.289 316 Y HN -0.589 7.788 8.280 0.163 0.000 0.471 317 V N -2.451 117.498 119.914 0.058 0.000 2.715 317 V HA 0.148 nan 4.120 nan 0.000 0.299 317 V C -0.061 176.006 176.094 -0.046 0.000 1.054 317 V CA -0.563 61.718 62.300 -0.032 0.000 1.077 317 V CB -0.369 31.479 31.823 0.041 0.000 0.972 317 V HN 0.469 8.710 8.190 0.085 0.000 0.484 318 c N 3.842 122.363 118.600 -0.132 0.000 2.476 318 c HA -0.138 nan 4.570 nan 0.000 0.278 318 c C 0.955 175.011 174.090 -0.057 0.000 1.274 318 c CA 1.679 57.941 56.329 -0.111 0.000 1.713 318 c CB -0.889 41.523 42.510 -0.163 0.000 2.039 318 c HN 0.930 9.028 8.230 -0.220 0.000 0.484 319 S N 0.902 116.583 115.700 -0.031 0.000 3.116 319 S HA -0.390 nan 4.470 nan 0.000 0.367 319 S C 1.271 175.861 174.600 -0.017 0.000 1.202 319 S CA 1.754 59.947 58.200 -0.013 0.000 1.018 319 S CB -0.073 63.137 63.200 0.016 0.000 0.726 319 S HN -0.595 7.701 8.310 -0.022 0.000 0.506 320 G N 5.324 114.108 108.800 -0.027 0.000 2.598 320 G HA2 -0.020 nan 3.960 nan 0.000 0.215 320 G HA3 -0.020 nan 3.960 nan 0.000 0.215 320 G C 0.102 174.988 174.900 -0.023 0.000 1.131 320 G CA 0.672 45.752 45.100 -0.033 0.000 0.785 320 G HN 0.815 8.985 8.290 -0.032 0.101 0.539 321 L N 0.236 121.456 121.223 -0.004 0.000 1.994 321 L HA -0.302 nan 4.340 nan 0.000 0.208 321 L C -0.296 176.596 176.870 0.036 0.000 1.071 321 L CA 2.755 57.607 54.840 0.021 0.000 0.745 321 L CB 0.503 42.617 42.059 0.092 0.000 0.892 321 L HN -0.866 7.310 8.230 0.000 0.054 0.431 322 V N -4.942 114.989 119.914 0.028 0.000 3.478 322 V HA -0.321 nan 4.120 nan 0.000 0.498 322 V C -0.772 175.311 176.094 -0.019 0.000 0.682 322 V CA 0.837 63.139 62.300 0.003 0.000 2.047 322 V CB -0.379 31.443 31.823 -0.001 0.000 2.481 322 V HN -0.110 8.099 8.190 0.031 0.000 0.507 323 G N 2.906 111.668 108.800 -0.064 0.000 3.993 323 G HA2 0.199 nan 3.960 nan 0.000 0.294 323 G HA3 0.199 nan 3.960 nan 0.000 0.294 323 G C -1.805 173.030 174.900 -0.108 0.000 1.043 323 G CA -0.275 44.748 45.100 -0.128 0.000 0.839 323 G HN 0.448 8.708 8.290 -0.050 0.000 0.516 324 D N -0.020 120.349 120.400 -0.050 0.000 2.326 324 D HA 0.255 nan 4.640 nan 0.000 0.251 324 D C -1.812 174.481 176.300 -0.012 0.000 1.023 324 D CA -1.399 52.587 54.000 -0.023 0.000 0.966 324 D CB 3.329 44.134 40.800 0.008 0.000 1.156 324 D HN -0.800 7.551 8.370 -0.031 0.000 0.494 325 T N 2.024 116.584 114.554 0.010 0.000 2.991 325 T HA 0.436 nan 4.350 nan 0.000 0.303 325 T C -2.761 171.964 174.700 0.040 0.000 1.015 325 T CA -2.646 59.467 62.100 0.022 0.000 1.007 325 T CB 2.097 70.983 68.868 0.029 0.000 1.034 325 T HN 0.194 8.446 8.240 0.020 0.000 0.446 326 P HA 0.051 nan 4.420 nan 0.000 0.265 326 P C -1.778 175.529 177.300 0.012 0.000 1.193 326 P CA -0.282 62.830 63.100 0.021 0.000 0.765 326 P CB 0.590 32.303 31.700 0.020 0.000 0.823 327 R N 1.811 122.313 120.500 0.004 0.000 2.923 327 R HA 0.399 nan 4.340 nan 0.000 0.252 327 R C -0.610 175.686 176.300 -0.007 0.000 1.130 327 R CA -1.435 54.663 56.100 -0.004 0.000 1.043 327 R CB 3.182 33.477 30.300 -0.008 0.000 1.205 327 R HN 0.105 8.264 8.270 0.004 0.113 0.495 328 N N -0.547 118.145 118.700 -0.013 0.000 2.272 328 N HA -0.086 nan 4.740 nan 0.000 0.195 328 N C -1.820 173.680 175.510 -0.017 0.000 1.048 328 N CA 1.156 54.196 53.050 -0.017 0.000 0.912 328 N CB 1.476 39.949 38.487 -0.024 0.000 1.096 328 N HN 0.352 8.723 8.380 -0.014 0.000 0.471 329 D N -7.007 113.380 120.400 -0.021 0.000 2.751 329 D HA -0.022 nan 4.640 nan 0.000 0.236 329 D C -1.709 174.574 176.300 -0.030 0.000 1.196 329 D CA -0.183 53.803 54.000 -0.023 0.000 0.741 329 D CB 2.488 43.275 40.800 -0.023 0.000 1.474 329 D HN -0.585 7.772 8.370 -0.023 0.000 0.452 330 D N 0.650 121.029 120.400 -0.036 0.000 2.123 330 D HA -0.288 nan 4.640 nan 0.000 0.196 330 D C 1.231 177.502 176.300 -0.050 0.000 0.992 330 D CA 2.936 56.907 54.000 -0.049 0.000 0.833 330 D CB 0.316 41.075 40.800 -0.067 0.000 0.954 330 D HN 0.281 8.630 8.370 -0.033 0.000 0.455 331 R N -1.424 119.050 120.500 -0.044 0.000 2.073 331 R HA -0.138 nan 4.340 nan 0.000 0.229 331 R C 1.239 177.516 176.300 -0.039 0.000 1.120 331 R CA 1.736 57.811 56.100 -0.042 0.000 0.967 331 R CB 0.129 30.407 30.300 -0.037 0.000 0.862 331 R HN -0.146 8.277 8.270 -0.041 -0.178 0.436 332 S N -0.526 115.152 115.700 -0.035 0.000 2.596 332 S HA 0.070 nan 4.470 nan 0.000 0.248 332 S C -1.508 173.070 174.600 -0.036 0.000 1.162 332 S CA -0.624 57.555 58.200 -0.035 0.000 1.185 332 S CB -0.452 62.730 63.200 -0.031 0.000 0.833 332 S HN -0.395 8.190 8.310 -0.034 -0.296 0.472 333 S N 0.268 115.945 115.700 -0.038 0.000 2.521 333 S HA 0.213 nan 4.470 nan 0.000 0.295 333 S C -1.932 172.642 174.600 -0.043 0.000 1.098 333 S CA -1.506 56.672 58.200 -0.038 0.000 0.999 333 S CB 2.542 65.724 63.200 -0.030 0.000 1.034 333 S HN -0.812 7.419 8.310 -0.040 0.055 0.483 334 N N 3.959 122.630 118.700 -0.049 0.000 2.571 334 N HA 0.266 nan 4.740 nan 0.000 0.273 334 N C -2.124 173.347 175.510 -0.064 0.000 1.340 334 N CA -0.586 52.430 53.050 -0.057 0.000 0.789 334 N CB 3.730 42.178 38.487 -0.064 0.000 1.514 334 N HN 0.020 8.746 8.380 -0.051 -0.376 0.499 335 S N -1.261 114.397 115.700 -0.070 0.000 2.582 335 S HA 0.147 nan 4.470 nan 0.000 0.287 335 S C -1.597 172.951 174.600 -0.088 0.000 1.146 335 S CA -0.653 57.498 58.200 -0.081 0.000 0.941 335 S CB 1.808 64.983 63.200 -0.041 0.000 1.115 335 S HN 0.213 8.483 8.310 -0.067 0.000 0.458 336 N N 5.326 123.959 118.700 -0.111 0.000 2.230 336 N HA 0.138 nan 4.740 nan 0.000 0.202 336 N C 0.496 175.945 175.510 -0.102 0.000 1.119 336 N CA -0.844 52.144 53.050 -0.102 0.000 0.851 336 N CB -0.165 38.260 38.487 -0.105 0.000 0.990 336 N HN 0.709 9.003 8.380 -0.144 0.000 0.497 337 c N -4.379 114.165 118.600 -0.094 0.000 4.933 337 c HA -0.343 nan 4.570 nan 0.000 0.249 337 c C 0.682 174.743 174.090 -0.047 0.000 1.406 337 c CA 1.356 57.635 56.329 -0.082 0.000 1.505 337 c CB -2.864 39.560 42.510 -0.143 0.000 1.870 337 c HN -0.259 7.847 8.230 -0.087 0.072 0.651 338 R N -1.239 119.209 120.500 -0.086 0.000 2.320 338 R HA 0.141 nan 4.340 nan 0.000 0.193 338 R C -0.922 175.280 176.300 -0.164 0.000 0.885 338 R CA 1.012 57.067 56.100 -0.075 0.000 1.085 338 R CB 2.473 32.725 30.300 -0.080 0.000 1.253 338 R HN 0.260 8.730 8.270 -0.129 -0.277 0.636 339 D N -0.269 119.927 120.400 -0.340 0.000 2.575 339 D HA 0.399 nan 4.640 nan 0.000 0.236 339 D C -2.529 173.275 176.300 -0.826 0.000 1.075 339 D CA -2.274 51.434 54.000 -0.486 0.000 0.860 339 D CB 1.570 42.208 40.800 -0.270 0.000 1.475 339 D HN -0.220 8.332 8.370 -0.298 -0.361 0.474 340 P HA -0.074 nan 4.420 nan 0.000 0.257 340 P C -0.295 176.765 177.300 -0.401 0.000 1.189 340 P CA 0.066 62.747 63.100 -0.698 0.000 0.780 340 P CB -0.195 31.317 31.700 -0.313 0.000 0.772 341 N N 4.094 122.603 118.700 -0.319 0.000 2.661 341 N HA -0.336 nan 4.740 nan 0.000 0.196 341 N C 0.426 175.842 175.510 -0.158 0.000 1.129 341 N CA 0.896 53.827 53.050 -0.198 0.000 0.938 341 N CB -0.155 38.252 38.487 -0.132 0.000 0.966 341 N HN 0.018 8.493 8.380 -0.346 -0.302 0.450 342 N N -4.525 114.070 118.700 -0.174 0.000 2.678 342 N HA -0.454 nan 4.740 nan 0.000 0.250 342 N C -1.537 173.909 175.510 -0.106 0.000 1.136 342 N CA 1.995 54.951 53.050 -0.157 0.000 0.757 342 N CB -1.007 37.383 38.487 -0.161 0.000 1.135 342 N HN -0.185 7.975 8.380 -0.202 0.099 0.565 343 E N 0.576 120.726 120.200 -0.084 0.000 2.046 343 E HA 0.099 nan 4.350 nan 0.000 0.279 343 E C -1.108 175.468 176.600 -0.041 0.000 0.989 343 E CA -0.776 55.590 56.400 -0.058 0.000 0.798 343 E CB -0.100 29.569 29.700 -0.051 0.000 1.086 343 E HN -0.675 7.861 8.360 -0.088 -0.229 0.399 344 R N 1.563 122.041 120.500 -0.036 0.000 3.627 344 R HA -0.346 nan 4.340 nan 0.000 0.281 344 R C 0.821 177.113 176.300 -0.012 0.000 1.140 344 R CA 0.710 56.799 56.100 -0.019 0.000 0.761 344 R CB -2.044 28.251 30.300 -0.009 0.000 1.181 344 R HN 0.487 8.732 8.270 -0.041 0.000 0.472 345 G N -2.404 106.376 108.800 -0.033 0.000 2.513 345 G HA2 -0.244 nan 3.960 nan 0.000 0.219 345 G HA3 -0.244 nan 3.960 nan 0.000 0.219 345 G C 0.029 174.939 174.900 0.016 0.000 1.160 345 G CA 0.581 45.666 45.100 -0.024 0.000 0.767 345 G HN 0.365 8.597 8.290 -0.056 0.024 0.571 346 T N 2.256 116.823 114.554 0.022 0.000 2.934 346 T HA -0.154 nan 4.350 nan 0.000 0.306 346 T C -0.436 174.303 174.700 0.066 0.000 1.042 346 T CA 1.299 63.440 62.100 0.069 0.000 1.145 346 T CB -0.312 68.606 68.868 0.083 0.000 0.982 346 T HN -0.180 8.059 8.240 -0.001 0.000 0.544 347 Q N 4.294 124.144 119.800 0.084 0.000 0.292 347 Q HA -0.272 nan 4.340 nan 0.000 0.246 347 Q C -1.858 174.197 176.000 0.090 0.000 1.093 347 Q CA 0.395 56.249 55.803 0.086 0.000 0.216 347 Q CB 0.582 29.361 28.738 0.070 0.000 5.642 347 Q HN 0.359 8.601 8.270 0.095 0.085 0.289 348 G N -5.375 103.482 108.800 0.095 0.000 2.348 348 G HA2 0.117 nan 3.960 nan 0.000 0.296 348 G HA3 0.117 nan 3.960 nan 0.000 0.296 348 G C -3.267 171.688 174.900 0.091 0.000 1.258 348 G CA -0.206 44.943 45.100 0.081 0.000 0.868 348 G HN -0.169 8.184 8.290 0.105 0.000 0.488 349 V N -2.418 117.519 119.914 0.038 0.000 3.108 349 V HA 0.261 nan 4.120 nan 0.000 0.287 349 V C -2.406 173.566 176.094 -0.202 0.000 1.436 349 V CA -1.120 61.185 62.300 0.008 0.000 1.001 349 V CB 4.120 36.017 31.823 0.125 0.000 1.141 349 V HN -0.166 8.027 8.190 0.006 0.000 0.443 350 K N 6.144 126.142 120.400 -0.671 0.000 2.350 350 K HA 0.128 nan 4.320 nan 0.000 0.279 350 K C -1.441 175.076 176.600 -0.139 0.000 1.027 350 K CA 0.734 56.711 56.287 -0.517 0.000 0.969 350 K CB 1.340 33.321 32.500 -0.865 0.000 0.954 350 K HN 0.299 7.724 8.250 -1.374 0.000 0.474 351 G N 2.473 111.265 108.800 -0.014 0.000 2.749 351 G HA2 0.378 nan 3.960 nan 0.000 0.300 351 G HA3 0.378 nan 3.960 nan 0.000 0.300 351 G C -2.438 172.564 174.900 0.171 0.000 1.352 351 G CA -0.881 44.280 45.100 0.102 0.000 0.789 351 G HN -0.117 8.152 8.290 -0.036 0.000 0.509 352 W N -4.297 116.989 121.300 -0.023 0.000 2.961 352 W HA 0.522 nan 4.660 nan 0.000 0.368 352 W C -2.951 173.586 176.519 0.030 0.000 1.213 352 W CA -1.566 55.796 57.345 0.028 0.000 1.173 352 W CB 1.851 31.330 29.460 0.031 0.000 1.487 352 W HN 0.184 8.091 8.180 -0.455 0.000 0.585 353 A N -1.507 121.306 122.820 -0.011 0.000 2.490 353 A HA 0.551 nan 4.320 nan 0.000 0.292 353 A C -2.970 174.858 177.584 0.406 0.000 1.047 353 A CA 0.204 52.142 52.037 -0.166 0.000 0.632 353 A CB 1.850 20.756 19.000 -0.157 0.000 1.323 353 A HN -0.002 8.438 8.150 0.483 0.000 0.448 354 F N -4.566 115.469 119.950 0.141 0.000 2.662 354 F HA 0.392 nan 4.527 nan 0.000 0.319 354 F C -2.429 173.358 175.800 -0.021 0.000 1.079 354 F CA -0.542 57.499 58.000 0.069 0.000 1.062 354 F CB 2.151 40.964 39.000 -0.312 0.000 1.299 354 F HN 0.329 8.571 8.300 -0.096 0.000 0.487 355 D N 3.378 123.630 120.400 -0.247 0.000 2.273 355 D HA 0.013 nan 4.640 nan 0.000 0.247 355 D C -0.784 175.392 176.300 -0.206 0.000 1.313 355 D CA -0.140 53.562 54.000 -0.495 0.000 0.974 355 D CB 0.891 40.928 40.800 -1.272 0.000 1.157 355 D HN -0.069 8.207 8.370 -0.157 0.000 0.533 356 N N -0.865 117.733 118.700 -0.170 0.000 4.460 356 N HA -0.073 nan 4.740 nan 0.000 0.170 356 N C -0.186 175.322 175.510 -0.004 0.000 1.275 356 N CA 0.400 53.458 53.050 0.013 0.000 0.913 356 N CB 1.664 40.242 38.487 0.153 0.000 1.679 356 N HN -0.264 7.957 8.380 -0.265 0.000 0.864 357 G N 6.509 115.317 108.800 0.012 0.000 2.574 357 G HA2 -0.494 nan 3.960 nan 0.000 0.301 357 G HA3 -0.494 nan 3.960 nan 0.000 0.301 357 G C -1.467 173.494 174.900 0.102 0.000 1.166 357 G CA 1.489 46.621 45.100 0.054 0.000 0.971 357 G HN 0.680 8.972 8.290 0.003 0.000 0.542 358 N N 5.316 124.088 118.700 0.120 0.000 2.214 358 N HA 0.249 nan 4.740 nan 0.000 0.214 358 N C -1.435 174.177 175.510 0.170 0.000 1.132 358 N CA -0.479 52.696 53.050 0.209 0.000 0.856 358 N CB 0.872 39.435 38.487 0.126 0.000 1.020 358 N HN 0.165 8.590 8.380 0.076 0.000 0.509 359 D N -0.101 120.335 120.400 0.060 0.000 2.332 359 D HA 0.489 nan 4.640 nan 0.000 0.252 359 D C -2.318 173.919 176.300 -0.105 0.000 1.050 359 D CA 0.230 54.193 54.000 -0.063 0.000 0.970 359 D CB 2.632 43.314 40.800 -0.196 0.000 1.141 359 D HN 0.030 8.214 8.370 0.033 0.206 0.485 360 L N 0.215 121.304 121.223 -0.224 0.000 2.406 360 L HA 0.409 nan 4.340 nan 0.000 0.270 360 L C -2.057 174.524 176.870 -0.482 0.000 0.982 360 L CA -0.553 54.139 54.840 -0.246 0.000 0.843 360 L CB 3.066 45.112 42.059 -0.022 0.000 1.225 360 L HN -0.367 7.701 8.230 -0.270 0.000 0.412 361 W N 7.964 128.946 121.300 -0.530 0.000 2.345 361 W HA 0.330 nan 4.660 nan 0.000 0.308 361 W C -1.198 175.015 176.519 -0.510 0.000 1.273 361 W CA -0.028 57.030 57.345 -0.478 0.000 1.243 361 W CB 0.812 29.841 29.460 -0.718 0.000 1.260 361 W HN 0.624 8.408 8.180 -0.660 0.000 0.509 362 M N 0.186 119.551 119.600 -0.393 0.000 2.618 362 M HA 0.907 nan 4.480 nan 0.000 0.281 362 M C -1.998 173.673 176.300 -1.049 0.000 1.267 362 M CA -1.295 53.490 55.300 -0.858 0.000 0.845 362 M CB 4.410 36.596 32.600 -0.689 0.000 1.732 362 M HN 0.662 8.773 8.290 -0.297 0.000 0.461 363 G N -2.449 105.580 108.800 -1.284 0.000 2.619 363 G HA2 0.918 nan 3.960 nan 0.000 0.296 363 G HA3 0.918 nan 3.960 nan 0.000 0.296 363 G C -2.321 172.028 174.900 -0.919 0.000 1.334 363 G CA -0.508 44.051 45.100 -0.902 0.000 0.934 363 G HN -0.338 7.090 8.290 -1.436 0.000 0.476 364 R N -2.109 117.675 120.500 -1.194 0.000 2.753 364 R HA 0.301 nan 4.340 nan 0.000 0.272 364 R C -1.497 174.205 176.300 -0.997 0.000 1.034 364 R CA -0.932 54.600 56.100 -0.946 0.000 0.869 364 R CB 2.297 32.319 30.300 -0.464 0.000 1.264 364 R HN 0.265 7.743 8.270 -1.319 0.000 0.481 365 T N -2.633 111.627 114.554 -0.491 0.000 2.928 365 T HA 0.034 nan 4.350 nan 0.000 0.305 365 T C 1.764 176.395 174.700 -0.114 0.000 1.035 365 T CA -0.415 61.596 62.100 -0.147 0.000 1.145 365 T CB -0.148 68.741 68.868 0.035 0.000 0.963 365 T HN 0.435 8.482 8.240 -0.321 0.000 0.545 366 I N 3.026 123.581 120.570 -0.025 0.000 2.454 366 I HA -0.331 nan 4.170 nan 0.000 0.254 366 I C 0.684 176.808 176.117 0.011 0.000 1.156 366 I CA 2.854 64.158 61.300 0.006 0.000 1.433 366 I CB 0.007 38.035 38.000 0.048 0.000 1.082 366 I HN -0.344 7.748 8.210 0.031 0.137 0.432 367 S N -0.196 115.516 115.700 0.020 0.000 2.580 367 S HA -0.050 nan 4.470 nan 0.000 0.274 367 S C -0.551 174.055 174.600 0.010 0.000 1.329 367 S CA -0.271 57.942 58.200 0.020 0.000 1.036 367 S CB 0.752 63.972 63.200 0.033 0.000 0.919 367 S HN -0.654 7.654 8.310 0.033 0.022 0.515 368 K N 3.182 123.587 120.400 0.009 0.000 2.387 368 K HA 0.196 nan 4.320 nan 0.000 0.203 368 K C 0.404 177.011 176.600 0.011 0.000 1.030 368 K CA 0.231 56.521 56.287 0.005 0.000 1.099 368 K CB -0.358 32.141 32.500 -0.001 0.000 0.863 368 K HN 0.470 8.726 8.250 0.009 0.000 0.529 369 D N -0.154 120.256 120.400 0.017 0.000 2.626 369 D HA 0.146 nan 4.640 nan 0.000 0.274 369 D C -0.184 176.133 176.300 0.028 0.000 1.045 369 D CA 2.261 56.272 54.000 0.019 0.000 0.925 369 D CB 2.637 43.445 40.800 0.014 0.000 1.260 369 D HN -0.379 7.933 8.370 0.018 0.069 0.490 370 L N -1.821 119.423 121.223 0.033 0.000 2.235 370 L HA 0.330 nan 4.340 nan 0.000 0.260 370 L C -0.884 176.024 176.870 0.063 0.000 1.025 370 L CA -2.544 52.323 54.840 0.045 0.000 0.836 370 L CB 2.527 44.609 42.059 0.038 0.000 1.395 370 L HN -0.432 7.817 8.230 0.031 0.000 0.443 371 R N 1.629 122.179 120.500 0.084 0.000 2.391 371 R HA 0.142 nan 4.340 nan 0.000 0.310 371 R C -1.132 175.240 176.300 0.121 0.000 1.174 371 R CA -0.188 55.984 56.100 0.121 0.000 1.118 371 R CB -0.276 30.117 30.300 0.155 0.000 1.134 371 R HN 0.511 8.828 8.270 0.078 0.000 0.524 372 S N 3.267 119.035 115.700 0.114 0.000 2.546 372 S HA 0.499 nan 4.470 nan 0.000 0.272 372 S C -1.144 173.532 174.600 0.128 0.000 1.140 372 S CA -0.787 57.480 58.200 0.111 0.000 0.920 372 S CB 3.439 66.684 63.200 0.075 0.000 1.083 372 S HN -0.098 8.272 8.310 0.100 0.000 0.476 373 G N 3.765 112.658 108.800 0.155 0.000 2.916 373 G HA2 -0.385 nan 3.960 nan 0.000 0.533 373 G HA3 -0.385 nan 3.960 nan 0.000 0.533 373 G C -3.208 171.851 174.900 0.265 0.000 1.516 373 G CA 0.319 45.525 45.100 0.178 0.000 0.944 373 G HN 0.782 9.058 8.290 0.151 0.105 0.555 374 Y N 0.230 120.592 120.300 0.104 0.000 2.333 374 Y HA 0.234 nan 4.550 nan 0.000 0.319 374 Y C -2.869 173.089 175.900 0.097 0.000 1.200 374 Y CA -0.381 57.776 58.100 0.095 0.000 1.084 374 Y CB 3.240 41.771 38.460 0.119 0.000 1.268 374 Y HN 0.283 8.637 8.280 0.275 0.091 0.422 375 E N 5.153 125.412 120.200 0.098 0.000 2.320 375 E HA 0.882 nan 4.350 nan 0.000 0.264 375 E C -2.562 174.067 176.600 0.049 0.000 0.923 375 E CA -2.345 54.156 56.400 0.168 0.000 0.796 375 E CB 4.915 34.732 29.700 0.195 0.000 1.262 375 E HN 0.181 8.428 8.360 -0.188 0.000 0.428 376 T N -5.960 108.687 114.554 0.155 0.000 2.896 376 T HA 0.980 nan 4.350 nan 0.000 0.297 376 T C -1.950 172.882 174.700 0.221 0.000 1.108 376 T CA -1.901 60.210 62.100 0.018 0.000 1.004 376 T CB 2.841 71.869 68.868 0.267 0.000 1.159 376 T HN 0.578 8.982 8.240 0.273 0.000 0.499 377 F N -4.602 115.462 119.950 0.191 0.000 2.807 377 F HA 0.756 nan 4.527 nan 0.000 0.316 377 F C -2.880 172.866 175.800 -0.090 0.000 1.162 377 F CA -1.292 56.781 58.000 0.123 0.000 0.910 377 F CB 2.121 41.129 39.000 0.014 0.000 1.314 377 F HN 0.542 8.575 8.300 -0.445 0.000 0.454 378 K N -0.599 119.735 120.400 -0.110 0.000 2.182 378 K HA 0.634 nan 4.320 nan 0.000 0.262 378 K C -1.887 174.581 176.600 -0.220 0.000 0.957 378 K CA -2.097 53.779 56.287 -0.685 0.000 0.842 378 K CB 3.128 34.775 32.500 -1.422 0.000 1.099 378 K HN 0.449 8.717 8.250 0.031 0.000 0.438 379 V N 6.625 126.422 119.914 -0.195 0.000 2.313 379 V HA 0.469 nan 4.120 nan 0.000 0.278 379 V C -0.108 175.907 176.094 -0.132 0.000 1.017 379 V CA -1.449 60.803 62.300 -0.080 0.000 0.823 379 V CB 0.413 32.240 31.823 0.007 0.000 1.010 379 V HN 0.238 8.244 8.190 -0.307 0.000 0.443 380 I N 7.148 127.645 120.570 -0.121 0.000 2.587 380 I HA -0.307 nan 4.170 nan 0.000 0.284 380 I C 0.589 176.671 176.117 -0.057 0.000 1.134 380 I CA 1.181 62.422 61.300 -0.097 0.000 1.410 380 I CB -0.813 37.140 38.000 -0.079 0.000 1.392 380 I HN 0.395 8.538 8.210 -0.112 0.000 0.545 381 G N 6.165 114.945 108.800 -0.033 0.000 2.148 381 G HA2 -0.380 nan 3.960 nan 0.000 0.254 381 G HA3 -0.380 nan 3.960 nan 0.000 0.254 381 G C 0.626 175.527 174.900 0.002 0.000 0.981 381 G CA 0.560 45.656 45.100 -0.006 0.000 0.670 381 G HN 0.161 8.642 8.290 -0.037 -0.213 0.528 382 G N -0.787 108.017 108.800 0.007 0.000 2.920 382 G HA2 -0.045 nan 3.960 nan 0.000 0.208 382 G HA3 -0.045 nan 3.960 nan 0.000 0.208 382 G C -0.558 174.392 174.900 0.084 0.000 1.159 382 G CA 0.029 45.141 45.100 0.020 0.000 0.784 382 G HN 0.054 8.199 8.290 -0.015 0.136 0.535 383 W N -0.789 120.477 121.300 -0.057 0.000 3.107 383 W HA 0.275 nan 4.660 nan 0.000 0.293 383 W C -1.640 174.872 176.519 -0.012 0.000 1.239 383 W CA 0.304 57.631 57.345 -0.030 0.000 1.653 383 W CB 1.192 30.639 29.460 -0.022 0.000 1.068 383 W HN -0.126 8.119 8.180 0.202 0.055 0.615 384 S N -3.433 112.208 115.700 -0.097 0.000 2.631 384 S HA 0.147 nan 4.470 nan 0.000 0.246 384 S C -0.527 174.007 174.600 -0.110 0.000 1.068 384 S CA 0.704 58.821 58.200 -0.138 0.000 0.995 384 S CB 3.208 66.408 63.200 0.001 0.000 0.944 384 S HN -0.779 7.538 8.310 0.012 0.000 0.529 385 T N 1.614 116.122 114.554 -0.077 0.000 2.770 385 T HA 0.597 nan 4.350 nan 0.000 0.283 385 T C -2.869 171.785 174.700 -0.076 0.000 0.988 385 T CA -2.833 59.226 62.100 -0.067 0.000 0.957 385 T CB 1.308 70.150 68.868 -0.043 0.000 0.930 385 T HN -0.307 7.899 8.240 -0.057 0.000 0.443 386 P HA -0.181 nan 4.420 nan 0.000 0.266 386 P C -0.309 176.953 177.300 -0.064 0.000 1.195 386 P CA 0.279 63.332 63.100 -0.079 0.000 0.768 386 P CB 0.272 31.924 31.700 -0.079 0.000 0.838 387 N N 0.562 119.226 118.700 -0.060 0.000 2.708 387 N HA -0.386 nan 4.740 nan 0.000 0.249 387 N C -0.428 175.053 175.510 -0.049 0.000 1.097 387 N CA 0.954 53.972 53.050 -0.053 0.000 0.710 387 N CB -0.219 38.236 38.487 -0.054 0.000 1.032 387 N HN 0.211 8.553 8.380 -0.064 0.000 0.551 388 S N -1.739 113.933 115.700 -0.047 0.000 2.505 388 S HA 0.102 nan 4.470 nan 0.000 0.276 388 S C -0.091 174.481 174.600 -0.047 0.000 1.274 388 S CA 0.397 58.569 58.200 -0.046 0.000 1.053 388 S CB 0.698 63.873 63.200 -0.041 0.000 0.919 388 S HN -0.663 7.584 8.310 -0.049 0.034 0.490 389 K N 3.476 123.840 120.400 -0.059 0.000 2.826 389 K HA 0.110 nan 4.320 nan 0.000 0.206 389 K C -0.882 175.657 176.600 -0.101 0.000 1.116 389 K CA -0.995 55.246 56.287 -0.078 0.000 1.045 389 K CB 0.489 32.942 32.500 -0.079 0.000 0.758 389 K HN 0.469 8.684 8.250 -0.057 0.000 0.465 390 S N 2.731 118.378 115.700 -0.088 0.000 2.464 390 S HA 0.100 nan 4.470 nan 0.000 0.313 390 S C -1.260 173.273 174.600 -0.113 0.000 1.078 390 S CA -0.951 57.193 58.200 -0.093 0.000 1.096 390 S CB -0.236 62.922 63.200 -0.069 0.000 1.032 390 S HN 0.080 8.347 8.310 -0.072 0.000 0.498 391 Q N 4.906 124.609 119.800 -0.161 0.000 2.199 391 Q HA 0.797 nan 4.340 nan 0.000 0.232 391 Q C -1.397 174.534 176.000 -0.115 0.000 0.969 391 Q CA -0.894 54.804 55.803 -0.174 0.000 0.925 391 Q CB 2.161 30.672 28.738 -0.379 0.000 1.198 391 Q HN -0.068 8.094 8.270 -0.180 0.000 0.494 392 I N -0.472 120.054 120.570 -0.073 0.000 3.093 392 I HA 0.334 nan 4.170 nan 0.000 0.308 392 I C -1.693 174.463 176.117 0.064 0.000 1.303 392 I CA -0.752 60.538 61.300 -0.017 0.000 0.975 392 I CB 3.415 41.395 38.000 -0.033 0.000 1.286 392 I HN 0.310 8.481 8.210 -0.065 0.000 0.459 393 N N -1.300 117.488 118.700 0.147 0.000 2.708 393 N HA -0.403 nan 4.740 nan 0.000 0.251 393 N C -1.019 174.726 175.510 0.390 0.000 1.123 393 N CA 1.248 54.481 53.050 0.304 0.000 0.739 393 N CB -1.237 37.518 38.487 0.447 0.000 1.113 393 N HN 0.331 8.780 8.380 0.114 0.000 0.561 394 R N -0.788 119.899 120.500 0.312 0.000 2.817 394 R HA -0.301 nan 4.340 nan 0.000 0.264 394 R C -1.250 175.269 176.300 0.366 0.000 1.009 394 R CA 1.224 57.547 56.100 0.371 0.000 1.133 394 R CB 0.539 30.993 30.300 0.256 0.000 1.013 394 R HN -0.443 7.917 8.270 0.211 0.037 0.453 395 Q N 0.313 120.331 119.800 0.364 0.000 2.340 395 Q HA 0.227 nan 4.340 nan 0.000 0.276 395 Q C -1.978 174.198 176.000 0.294 0.000 1.048 395 Q CA -1.018 54.989 55.803 0.339 0.000 0.832 395 Q CB 4.502 33.448 28.738 0.346 0.000 1.373 395 Q HN 0.278 8.775 8.270 0.379 0.000 0.409 396 V N 2.685 122.761 119.914 0.269 0.000 2.383 396 V HA 0.417 nan 4.120 nan 0.000 0.275 396 V C -0.657 175.610 176.094 0.290 0.000 1.036 396 V CA -0.003 62.441 62.300 0.239 0.000 0.889 396 V CB 0.529 32.458 31.823 0.175 0.000 0.985 396 V HN 0.651 9.005 8.190 0.274 0.000 0.459 397 I N 6.813 127.545 120.570 0.271 0.000 2.810 397 I HA 0.245 nan 4.170 nan 0.000 0.262 397 I C -0.512 175.819 176.117 0.356 0.000 1.131 397 I CA 0.311 61.750 61.300 0.232 0.000 1.453 397 I CB 1.067 39.054 38.000 -0.021 0.000 1.161 397 I HN 0.775 9.155 8.210 0.284 0.000 0.444 398 V N -0.951 119.132 119.914 0.282 0.000 2.588 398 V HA 0.261 nan 4.120 nan 0.000 0.304 398 V C -1.707 174.498 176.094 0.185 0.000 1.042 398 V CA -2.038 60.405 62.300 0.238 0.000 0.877 398 V CB 2.806 34.772 31.823 0.238 0.000 0.996 398 V HN -0.181 8.189 8.190 0.299 0.000 0.425 399 D N 5.559 126.034 120.400 0.125 0.000 2.399 399 D HA 0.049 nan 4.640 nan 0.000 0.241 399 D C 0.555 176.912 176.300 0.094 0.000 1.133 399 D CA -0.088 53.966 54.000 0.091 0.000 0.890 399 D CB 1.081 41.910 40.800 0.049 0.000 1.201 399 D HN -0.129 8.307 8.370 0.111 0.000 0.432 400 S N -1.102 114.646 115.700 0.080 0.000 2.423 400 S HA -0.419 nan 4.470 nan 0.000 0.238 400 S C 0.387 175.024 174.600 0.060 0.000 1.028 400 S CA 2.544 60.786 58.200 0.070 0.000 1.000 400 S CB -0.010 63.221 63.200 0.053 0.000 0.797 400 S HN 0.155 8.509 8.310 0.073 0.000 0.487 401 D N -1.337 119.094 120.400 0.051 0.000 2.895 401 D HA 0.169 nan 4.640 nan 0.000 0.258 401 D C -0.732 175.595 176.300 0.045 0.000 1.311 401 D CA -1.087 52.937 54.000 0.041 0.000 0.843 401 D CB -0.081 40.734 40.800 0.026 0.000 1.055 401 D HN -0.441 8.128 8.370 0.049 -0.169 0.486 402 N N -1.030 117.708 118.700 0.065 0.000 2.329 402 N HA 0.164 nan 4.740 nan 0.000 0.282 402 N C -1.685 173.881 175.510 0.093 0.000 1.198 402 N CA -0.889 52.204 53.050 0.073 0.000 0.790 402 N CB 4.307 42.844 38.487 0.083 0.000 1.579 402 N HN -0.720 7.627 8.380 0.076 0.079 0.475 403 R N 0.655 121.210 120.500 0.092 0.000 2.438 403 R HA 0.068 nan 4.340 nan 0.000 0.287 403 R C -1.051 175.336 176.300 0.145 0.000 1.077 403 R CA 0.500 56.665 56.100 0.107 0.000 1.034 403 R CB 0.153 30.507 30.300 0.089 0.000 0.993 403 R HN 0.322 8.642 8.270 0.083 0.000 0.459 404 S N 2.263 118.066 115.700 0.172 0.000 2.816 404 S HA 0.319 nan 4.470 nan 0.000 0.253 404 S C -1.472 173.263 174.600 0.225 0.000 1.055 404 S CA -1.294 57.045 58.200 0.231 0.000 1.032 404 S CB 1.847 65.235 63.200 0.313 0.000 1.270 404 S HN -0.067 8.235 8.310 0.154 0.100 0.587 405 G N -1.957 107.016 108.800 0.289 0.000 2.455 405 G HA2 -0.062 nan 3.960 nan 0.000 0.223 405 G HA3 -0.062 nan 3.960 nan 0.000 0.223 405 G C -1.795 173.369 174.900 0.440 0.000 1.226 405 G CA -0.381 44.903 45.100 0.307 0.000 0.948 405 G HN -0.121 8.383 8.290 0.357 0.000 0.478 406 Y N 2.071 122.510 120.300 0.232 0.000 2.245 406 Y HA -0.057 nan 4.550 nan 0.000 0.355 406 Y C -0.499 175.555 175.900 0.257 0.000 1.278 406 Y CA 0.696 58.948 58.100 0.254 0.000 1.593 406 Y CB 0.714 39.344 38.460 0.283 0.000 1.393 406 Y HN -0.141 8.420 8.280 0.470 0.000 0.662 407 S N -3.857 112.048 115.700 0.341 0.000 2.614 407 S HA 0.149 nan 4.470 nan 0.000 0.280 407 S C -2.258 172.241 174.600 -0.168 0.000 1.111 407 S CA -0.338 57.854 58.200 -0.015 0.000 0.847 407 S CB 3.219 66.538 63.200 0.199 0.000 1.079 407 S HN 0.025 8.510 8.310 0.293 0.000 0.452 408 G N -1.743 106.520 108.800 -0.894 0.000 2.677 408 G HA2 0.390 nan 3.960 nan 0.000 0.291 408 G HA3 0.390 nan 3.960 nan 0.000 0.291 408 G C -2.863 171.794 174.900 -0.407 0.000 1.435 408 G CA -0.584 44.309 45.100 -0.346 0.000 0.826 408 G HN -0.390 6.857 8.290 -1.739 0.000 0.491 409 I N 0.116 120.660 120.570 -0.042 0.000 3.432 409 I HA 0.710 nan 4.170 nan 0.000 0.291 409 I C -1.746 174.529 176.117 0.263 0.000 1.127 409 I CA -0.577 60.673 61.300 -0.083 0.000 0.962 409 I CB 2.016 40.070 38.000 0.091 0.000 1.550 409 I HN 0.287 8.598 8.210 0.168 0.000 0.736 410 F N -2.532 117.396 119.950 -0.037 0.000 2.637 410 F HA 0.203 nan 4.527 nan 0.000 0.316 410 F C -2.935 172.837 175.800 -0.046 0.000 1.023 410 F CA -0.786 57.237 58.000 0.038 0.000 1.071 410 F CB 1.250 40.353 39.000 0.171 0.000 1.319 410 F HN -0.306 7.859 8.300 -0.225 0.000 0.541 411 S N 3.712 119.451 115.700 0.065 0.000 2.565 411 S HA 0.812 nan 4.470 nan 0.000 0.290 411 S C -1.243 173.503 174.600 0.244 0.000 1.150 411 S CA -0.966 57.205 58.200 -0.048 0.000 1.058 411 S CB 1.540 64.591 63.200 -0.248 0.000 1.032 411 S HN -0.219 8.355 8.310 0.133 -0.184 0.510 412 V N -2.038 117.968 119.914 0.154 0.000 2.789 412 V HA 0.529 nan 4.120 nan 0.000 0.311 412 V C -2.772 173.418 176.094 0.159 0.000 1.073 412 V CA -3.080 59.341 62.300 0.202 0.000 0.921 412 V CB 2.988 34.860 31.823 0.081 0.000 1.009 412 V HN 0.252 8.437 8.190 -0.009 0.000 0.426 413 E N 3.438 123.709 120.200 0.118 0.000 2.197 413 E HA 0.450 nan 4.350 nan 0.000 0.281 413 E C -0.510 176.081 176.600 -0.016 0.000 0.995 413 E CA -1.192 55.235 56.400 0.045 0.000 0.808 413 E CB 1.681 31.337 29.700 -0.075 0.000 1.093 413 E HN 0.094 8.501 8.360 0.078 0.000 0.394 414 G N 3.826 112.615 108.800 -0.018 0.000 2.613 414 G HA2 0.295 nan 3.960 nan 0.000 0.303 414 G HA3 0.295 nan 3.960 nan 0.000 0.303 414 G C -1.436 173.442 174.900 -0.035 0.000 1.312 414 G CA -1.580 43.499 45.100 -0.035 0.000 1.036 414 G HN 0.627 8.818 8.290 0.000 0.099 0.513 415 K N -1.571 118.808 120.400 -0.034 0.000 2.283 415 K HA -0.267 nan 4.320 nan 0.000 0.202 415 K C 0.823 177.407 176.600 -0.027 0.000 1.048 415 K CA 2.223 58.491 56.287 -0.032 0.000 0.948 415 K CB 0.066 32.550 32.500 -0.028 0.000 0.742 415 K HN 0.369 8.598 8.250 -0.035 0.000 0.458 416 S N -5.261 110.425 115.700 -0.023 0.000 2.663 416 S HA 0.023 nan 4.470 nan 0.000 0.247 416 S C -0.403 174.192 174.600 -0.008 0.000 1.074 416 S CA 0.005 58.195 58.200 -0.016 0.000 0.955 416 S CB 0.793 63.985 63.200 -0.013 0.000 0.901 416 S HN -0.023 8.233 8.310 -0.025 0.038 0.505 417 c N -2.171 116.423 118.600 -0.009 0.000 3.311 417 c HA 0.744 nan 4.570 nan 0.000 0.366 417 c C -2.319 171.775 174.090 0.008 0.000 1.694 417 c CA -3.137 53.193 56.329 0.002 0.000 1.244 417 c CB 3.456 45.961 42.510 -0.007 0.000 2.038 417 c HN -0.760 7.459 8.230 -0.018 0.000 0.436 418 I N -1.575 119.004 120.570 0.015 0.000 2.439 418 I HA 0.598 nan 4.170 nan 0.000 0.285 418 I C -2.359 173.714 176.117 -0.074 0.000 1.021 418 I CA -1.407 59.911 61.300 0.029 0.000 1.091 418 I CB 2.409 40.510 38.000 0.169 0.000 1.242 418 I HN 0.018 8.234 8.210 0.009 0.000 0.439 419 N N 8.613 127.243 118.700 -0.117 0.000 2.513 419 N HA 0.076 nan 4.740 nan 0.000 0.274 419 N C -1.833 173.480 175.510 -0.328 0.000 1.189 419 N CA -0.732 52.185 53.050 -0.222 0.000 0.975 419 N CB 2.135 40.485 38.487 -0.227 0.000 1.157 419 N HN 0.017 8.352 8.380 -0.076 0.000 0.465 420 R N 0.100 120.327 120.500 -0.455 0.000 2.514 420 R HA 0.682 nan 4.340 nan 0.000 0.301 420 R C -1.135 174.860 176.300 -0.508 0.000 0.962 420 R CA -1.144 54.594 56.100 -0.604 0.000 0.882 420 R CB 2.010 31.673 30.300 -1.062 0.000 1.143 420 R HN 0.026 8.047 8.270 -0.415 0.000 0.452 421 c N 0.850 118.968 118.600 -0.802 0.000 3.108 421 c HA 0.998 nan 4.570 nan 0.000 0.321 421 c C -2.001 171.512 174.090 -0.962 0.000 1.357 421 c CA -1.351 54.374 56.329 -1.006 0.000 1.562 421 c CB 3.955 45.374 42.510 -1.818 0.000 2.003 421 c HN 0.779 8.485 8.230 -0.874 0.000 0.460 422 F N -3.368 116.082 119.950 -0.835 0.000 2.668 422 F HA 0.838 nan 4.527 nan 0.000 0.309 422 F C -3.379 172.327 175.800 -0.157 0.000 1.117 422 F CA -1.860 55.702 58.000 -0.730 0.000 0.951 422 F CB 2.539 40.518 39.000 -1.701 0.000 1.323 422 F HN 0.554 8.282 8.300 -0.954 0.000 0.451 423 Y N -3.673 116.675 120.300 0.080 0.000 2.630 423 Y HA 0.903 nan 4.550 nan 0.000 0.337 423 Y C -2.588 173.391 175.900 0.131 0.000 1.051 423 Y CA -3.099 55.042 58.100 0.067 0.000 1.121 423 Y CB 2.687 41.227 38.460 0.135 0.000 1.299 423 Y HN 0.126 8.144 8.280 -0.436 0.000 0.498 424 V N -1.883 118.166 119.914 0.224 0.000 2.612 424 V HA 0.303 nan 4.120 nan 0.000 0.301 424 V C -2.172 174.066 176.094 0.240 0.000 1.059 424 V CA -1.902 60.459 62.300 0.101 0.000 0.886 424 V CB 2.863 34.523 31.823 -0.272 0.000 1.007 424 V HN -0.054 8.297 8.190 0.268 0.000 0.426 425 E N 8.593 128.986 120.200 0.323 0.000 2.104 425 E HA 0.027 nan 4.350 nan 0.000 0.278 425 E C -0.653 176.073 176.600 0.210 0.000 1.127 425 E CA -0.545 56.024 56.400 0.281 0.000 0.897 425 E CB 0.661 30.548 29.700 0.311 0.000 1.043 425 E HN 0.108 8.681 8.360 0.355 0.000 0.410 426 L N 7.769 129.099 121.223 0.178 0.000 2.282 426 L HA 0.192 nan 4.340 nan 0.000 0.287 426 L C -1.003 175.959 176.870 0.154 0.000 1.075 426 L CA -1.281 53.655 54.840 0.160 0.000 0.839 426 L CB -0.373 41.776 42.059 0.151 0.000 1.219 426 L HN 0.330 8.664 8.230 0.174 0.000 0.434 427 I N 4.659 125.315 120.570 0.144 0.000 2.396 427 I HA 0.393 nan 4.170 nan 0.000 0.292 427 I C -1.682 174.505 176.117 0.117 0.000 0.999 427 I CA -1.335 60.044 61.300 0.131 0.000 1.310 427 I CB 1.843 39.902 38.000 0.099 0.000 1.404 427 I HN -0.441 7.857 8.210 0.146 0.000 0.496 428 R N 5.523 126.111 120.500 0.147 0.000 2.867 428 R HA 0.640 nan 4.340 nan 0.000 0.268 428 R C -0.972 175.319 176.300 -0.015 0.000 1.014 428 R CA -2.766 53.399 56.100 0.109 0.000 0.946 428 R CB 3.055 33.503 30.300 0.247 0.000 1.208 428 R HN 0.714 8.992 8.270 0.194 0.109 0.477 429 G N -0.382 108.229 108.800 -0.315 0.000 2.428 429 G HA2 -0.364 nan 3.960 nan 0.000 0.202 429 G HA3 -0.364 nan 3.960 nan 0.000 0.202 429 G C -1.689 172.961 174.900 -0.418 0.000 1.247 429 G CA -0.615 44.071 45.100 -0.691 0.000 1.020 429 G HN -0.026 8.384 8.290 -0.242 -0.265 0.529 430 R N 2.601 122.857 120.500 -0.406 0.000 2.678 430 R HA -0.180 nan 4.340 nan 0.000 0.264 430 R C 0.647 176.835 176.300 -0.186 0.000 0.995 430 R CA 0.690 56.617 56.100 -0.288 0.000 1.098 430 R CB -0.389 29.773 30.300 -0.229 0.000 0.949 430 R HN 0.025 7.902 8.270 -0.479 0.105 0.422 431 K N -1.169 119.127 120.400 -0.173 0.000 8.078 431 K HA -0.316 nan 4.320 nan 0.000 0.190 431 K C 1.457 177.985 176.600 -0.121 0.000 1.599 431 K CA 1.547 57.763 56.287 -0.119 0.000 0.932 431 K CB -1.659 30.792 32.500 -0.082 0.000 0.361 431 K HN 0.263 8.385 8.250 -0.212 0.000 0.423 432 Q N 1.901 121.643 119.800 -0.095 0.000 1.927 432 Q HA -0.267 nan 4.340 nan 0.000 0.210 432 Q C 1.205 177.130 176.000 -0.125 0.000 1.001 432 Q CA 2.506 58.258 55.803 -0.085 0.000 0.862 432 Q CB 0.541 29.247 28.738 -0.053 0.000 0.934 432 Q HN 0.242 8.465 8.270 -0.079 0.000 0.420 433 E N -2.041 118.066 120.200 -0.155 0.000 2.373 433 E HA -0.105 nan 4.350 nan 0.000 0.267 433 E C -0.533 175.896 176.600 -0.285 0.000 1.032 433 E CA 0.752 57.032 56.400 -0.200 0.000 0.889 433 E CB 0.646 30.221 29.700 -0.208 0.000 0.984 433 E HN -0.481 7.791 8.360 -0.147 0.000 0.425 434 T N 2.832 117.214 114.554 -0.288 0.000 3.087 434 T HA 0.167 nan 4.350 nan 0.000 0.283 434 T C 1.022 175.464 174.700 -0.430 0.000 0.956 434 T CA 0.297 62.163 62.100 -0.390 0.000 0.894 434 T CB 0.281 68.967 68.868 -0.304 0.000 1.160 434 T HN 0.228 8.332 8.240 -0.226 0.000 0.532 435 R N 1.937 122.260 120.500 -0.297 0.000 2.152 435 R HA -0.184 nan 4.340 nan 0.000 0.232 435 R C -1.111 175.043 176.300 -0.243 0.000 1.117 435 R CA 2.219 58.201 56.100 -0.197 0.000 0.981 435 R CB 0.173 30.420 30.300 -0.087 0.000 0.870 435 R HN -0.057 8.059 8.270 -0.256 0.000 0.451 436 V N -8.460 111.204 119.914 -0.417 0.000 3.096 436 V HA 0.215 nan 4.120 nan 0.000 0.319 436 V C -1.219 174.440 176.094 -0.726 0.000 1.103 436 V CA -3.853 58.168 62.300 -0.466 0.000 1.016 436 V CB 2.831 34.209 31.823 -0.741 0.000 1.090 436 V HN -0.785 7.088 8.190 -0.468 0.037 0.449 437 W N -2.872 118.264 121.300 -0.272 0.000 2.998 437 W HA 0.347 nan 4.660 nan 0.000 0.336 437 W C -0.717 175.753 176.519 -0.082 0.000 1.112 437 W CA 0.453 57.724 57.345 -0.124 0.000 1.682 437 W CB 1.367 30.840 29.460 0.023 0.000 1.065 437 W HN 0.319 8.577 8.180 0.131 0.000 0.570 438 W N -4.299 117.125 121.300 0.206 0.000 2.367 438 W HA 0.697 nan 4.660 nan 0.000 0.369 438 W C -1.863 174.711 176.519 0.092 0.000 1.276 438 W CA -1.711 55.725 57.345 0.152 0.000 1.415 438 W CB 1.430 30.971 29.460 0.135 0.000 1.306 438 W HN -0.909 6.806 8.180 -0.775 0.000 0.669 439 T N 2.625 117.420 114.554 0.402 0.000 3.071 439 T HA 0.425 nan 4.350 nan 0.000 0.311 439 T C -1.727 173.223 174.700 0.417 0.000 1.042 439 T CA 0.097 62.355 62.100 0.262 0.000 1.028 439 T CB 1.598 70.522 68.868 0.092 0.000 1.068 439 T HN -0.202 8.337 8.240 0.499 0.000 0.451 440 S N 4.439 120.418 115.700 0.465 0.000 2.880 440 S HA 0.592 nan 4.470 nan 0.000 0.308 440 S C -2.303 172.462 174.600 0.275 0.000 1.195 440 S CA -1.472 56.932 58.200 0.340 0.000 0.866 440 S CB 1.735 65.123 63.200 0.313 0.000 1.254 440 S HN 1.000 9.596 8.310 0.476 0.000 0.571 441 N N -2.246 116.587 118.700 0.222 0.000 3.378 441 N HA 0.614 nan 4.740 nan 0.000 0.294 441 N C -2.416 173.190 175.510 0.161 0.000 1.544 441 N CA -0.233 52.930 53.050 0.187 0.000 0.872 441 N CB 3.427 42.010 38.487 0.160 0.000 1.670 441 N HN 0.170 8.676 8.380 0.210 0.000 0.551 442 S N -2.630 113.154 115.700 0.140 0.000 2.671 442 S HA 0.565 nan 4.470 nan 0.000 0.277 442 S C -1.880 172.784 174.600 0.105 0.000 1.165 442 S CA -0.764 57.496 58.200 0.101 0.000 0.822 442 S CB 3.482 66.733 63.200 0.085 0.000 1.150 442 S HN 0.359 8.758 8.310 0.148 0.000 0.479 443 I N -6.116 114.495 120.570 0.068 0.000 3.445 443 I HA 1.032 nan 4.170 nan 0.000 0.303 443 I C -2.320 173.844 176.117 0.077 0.000 1.129 443 I CA -2.351 59.004 61.300 0.091 0.000 0.989 443 I CB 3.528 41.570 38.000 0.070 0.000 1.314 443 I HN -0.321 8.119 8.210 0.026 -0.215 0.488 444 V N -0.777 119.195 119.914 0.097 0.000 3.000 444 V HA 0.640 nan 4.120 nan 0.000 0.300 444 V C -3.318 172.826 176.094 0.083 0.000 1.251 444 V CA -0.814 61.536 62.300 0.084 0.000 0.972 444 V CB 3.934 35.854 31.823 0.162 0.000 1.065 444 V HN -0.117 8.154 8.190 0.134 0.000 0.431 445 V N 5.710 125.645 119.914 0.034 0.000 2.623 445 V HA 0.962 nan 4.120 nan 0.000 0.304 445 V C -2.554 173.496 176.094 -0.073 0.000 1.054 445 V CA -1.997 60.319 62.300 0.026 0.000 0.882 445 V CB 3.390 35.330 31.823 0.195 0.000 1.002 445 V HN 0.682 8.847 8.190 -0.042 0.000 0.424 446 F N 7.083 126.615 119.950 -0.697 0.000 2.509 446 F HA 0.863 nan 4.527 nan 0.000 0.334 446 F C -1.247 174.208 175.800 -0.575 0.000 1.060 446 F CA -3.041 54.579 58.000 -0.634 0.000 0.997 446 F CB 4.290 42.815 39.000 -0.792 0.000 1.271 446 F HN -0.091 7.772 8.300 -0.728 0.000 0.488 447 c N -0.582 117.917 118.600 -0.167 0.000 2.686 447 c HA 0.566 nan 4.570 nan 0.000 0.318 447 c C -0.433 173.683 174.090 0.043 0.000 1.160 447 c CA -0.629 55.575 56.329 -0.208 0.000 1.396 447 c CB 3.864 46.026 42.510 -0.580 0.000 1.924 447 c HN 0.723 8.895 8.230 -0.097 0.000 0.471 448 G N 2.668 111.499 108.800 0.052 0.000 2.474 448 G HA2 0.019 nan 3.960 nan 0.000 0.233 448 G HA3 0.019 nan 3.960 nan 0.000 0.233 448 G C -1.668 173.069 174.900 -0.272 0.000 1.278 448 G CA 1.480 46.402 45.100 -0.297 0.000 0.861 448 G HN 0.349 8.663 8.290 0.041 0.000 0.567 449 T N 0.938 115.314 114.554 -0.297 0.000 2.933 449 T HA 0.255 nan 4.350 nan 0.000 0.305 449 T C -0.668 173.966 174.700 -0.110 0.000 1.092 449 T CA -1.092 60.916 62.100 -0.154 0.000 1.008 449 T CB 1.700 70.529 68.868 -0.065 0.000 1.102 449 T HN 0.137 8.112 8.240 -0.441 0.000 0.469 450 S N 3.437 119.099 115.700 -0.063 0.000 2.605 450 S HA 0.203 nan 4.470 nan 0.000 0.217 450 S C 0.541 175.149 174.600 0.013 0.000 0.958 450 S CA -0.210 57.974 58.200 -0.026 0.000 0.919 450 S CB 0.046 63.230 63.200 -0.027 0.000 0.780 450 S HN 0.398 8.669 8.310 -0.065 0.000 0.507 451 G N 2.219 111.040 108.800 0.035 0.000 2.828 451 G HA2 0.130 nan 3.960 nan 0.000 0.244 451 G HA3 0.130 nan 3.960 nan 0.000 0.244 451 G C -1.717 173.231 174.900 0.081 0.000 1.365 451 G CA -0.969 44.160 45.100 0.048 0.000 1.041 451 G HN -0.284 7.928 8.290 0.033 0.097 0.560 452 T N 0.375 114.955 114.554 0.044 0.000 2.874 452 T HA 0.275 nan 4.350 nan 0.000 0.281 452 T C -0.836 173.929 174.700 0.107 0.000 0.994 452 T CA 0.289 62.368 62.100 -0.034 0.000 1.015 452 T CB 0.756 69.600 68.868 -0.041 0.000 1.028 452 T HN -0.207 8.056 8.240 0.039 0.000 0.523 453 Y N -2.212 118.138 120.300 0.083 0.000 2.764 453 Y HA 0.447 nan 4.550 nan 0.000 0.331 453 Y C -1.363 174.626 175.900 0.149 0.000 1.280 453 Y CA -0.861 57.312 58.100 0.121 0.000 1.065 453 Y CB 0.474 39.025 38.460 0.151 0.000 1.319 453 Y HN -0.079 7.950 8.280 -0.418 0.000 0.453 454 G N 0.859 109.938 108.800 0.465 0.000 3.414 454 G HA2 0.228 nan 3.960 nan 0.000 0.196 454 G HA3 0.228 nan 3.960 nan 0.000 0.196 454 G C -1.089 174.059 174.900 0.412 0.000 1.486 454 G CA -0.108 45.197 45.100 0.340 0.000 0.811 454 G HN 0.269 8.879 8.290 0.534 0.000 0.704 455 T N 0.343 115.092 114.554 0.325 0.000 2.868 455 T HA 0.356 nan 4.350 nan 0.000 0.306 455 T C -1.355 173.419 174.700 0.124 0.000 1.224 455 T CA 0.045 62.304 62.100 0.266 0.000 1.012 455 T CB 1.532 70.496 68.868 0.160 0.000 1.221 455 T HN -0.274 8.133 8.240 0.278 0.000 0.499 456 G N 0.795 109.536 108.800 -0.097 0.000 2.321 456 G HA2 0.092 nan 3.960 nan 0.000 0.296 456 G HA3 0.092 nan 3.960 nan 0.000 0.296 456 G C -3.297 171.145 174.900 -0.763 0.000 1.287 456 G CA 0.222 44.884 45.100 -0.730 0.000 0.846 456 G HN 0.065 8.378 8.290 0.038 0.000 0.508 457 S N -0.707 114.366 115.700 -1.045 0.000 2.562 457 S HA 0.382 nan 4.470 nan 0.000 0.274 457 S C -1.568 172.796 174.600 -0.394 0.000 1.160 457 S CA -0.763 57.230 58.200 -0.345 0.000 0.933 457 S CB 1.794 64.909 63.200 -0.141 0.000 1.100 457 S HN -0.049 7.429 8.310 -1.387 0.000 0.468 458 W N 6.362 127.753 121.300 0.151 0.000 2.319 458 W HA 0.374 nan 4.660 nan 0.000 0.288 458 W C -2.462 174.131 176.519 0.122 0.000 0.959 458 W CA -1.786 55.650 57.345 0.152 0.000 1.784 458 W CB 1.269 30.865 29.460 0.227 0.000 1.848 458 W HN 0.654 9.081 8.180 0.586 0.104 0.408 459 P HA 0.252 nan 4.420 nan 0.000 0.277 459 P C 0.197 177.593 177.300 0.160 0.000 1.271 459 P CA -0.912 62.294 63.100 0.178 0.000 0.795 459 P CB 1.740 33.511 31.700 0.117 0.000 1.101 460 D N 1.616 122.097 120.400 0.136 0.000 2.126 460 D HA -0.341 nan 4.640 nan 0.000 0.190 460 D C 1.349 177.709 176.300 0.101 0.000 1.001 460 D CA 2.530 56.602 54.000 0.120 0.000 0.841 460 D CB 0.235 41.106 40.800 0.118 0.000 0.949 460 D HN 0.490 8.940 8.370 0.134 0.000 0.446 461 G N -2.276 106.573 108.800 0.081 0.000 2.160 461 G HA2 -0.433 nan 3.960 nan 0.000 0.244 461 G HA3 -0.433 nan 3.960 nan 0.000 0.244 461 G C -1.624 173.301 174.900 0.043 0.000 1.022 461 G CA 0.135 45.269 45.100 0.057 0.000 0.741 461 G HN 0.342 8.680 8.290 0.080 0.000 0.508 462 A N -0.936 121.912 122.820 0.046 0.000 2.258 462 A HA 0.249 nan 4.320 nan 0.000 0.316 462 A C -1.280 176.288 177.584 -0.027 0.000 1.279 462 A CA -1.528 50.535 52.037 0.043 0.000 0.876 462 A CB 1.272 20.333 19.000 0.102 0.000 1.170 462 A HN -0.566 7.696 8.150 0.059 -0.077 0.520 463 N N 4.796 123.398 118.700 -0.163 0.000 2.429 463 N HA -0.121 nan 4.740 nan 0.000 0.271 463 N C 1.166 176.571 175.510 -0.176 0.000 1.272 463 N CA 0.037 52.856 53.050 -0.385 0.000 0.921 463 N CB 0.437 38.205 38.487 -1.198 0.000 1.128 463 N HN 0.463 8.757 8.380 -0.144 0.000 0.481 464 I N 6.958 127.485 120.570 -0.072 0.000 2.567 464 I HA -0.421 nan 4.170 nan 0.000 0.257 464 I C -0.136 176.028 176.117 0.079 0.000 1.184 464 I CA 1.529 62.854 61.300 0.043 0.000 1.451 464 I CB 0.383 38.386 38.000 0.006 0.000 1.089 464 I HN 0.344 8.496 8.210 -0.097 0.000 0.441 465 N N -1.289 117.426 118.700 0.025 0.000 2.446 465 N HA -0.208 nan 4.740 nan 0.000 0.179 465 N C 1.235 176.962 175.510 0.361 0.000 1.054 465 N CA 2.860 55.997 53.050 0.144 0.000 0.905 465 N CB -0.035 38.523 38.487 0.117 0.000 0.973 465 N HN -0.020 8.592 8.380 -0.108 -0.297 0.448 466 F N -1.757 118.238 119.950 0.075 0.000 2.270 466 F HA -0.113 nan 4.527 nan 0.000 0.295 466 F C 0.780 176.629 175.800 0.082 0.000 1.087 466 F CA 0.301 58.340 58.000 0.066 0.000 1.365 466 F CB 0.310 39.343 39.000 0.054 0.000 1.056 466 F HN -0.602 7.657 8.300 0.199 0.160 0.506 467 M N -0.116 119.677 119.600 0.322 0.000 2.245 467 M HA -0.007 nan 4.480 nan 0.000 0.335 467 M C -2.071 174.388 176.300 0.265 0.000 1.155 467 M CA -2.445 53.018 55.300 0.271 0.000 1.055 467 M CB -1.353 31.481 32.600 0.390 0.000 1.670 467 M HN -0.836 7.646 8.290 0.320 0.000 0.447 468 P HA -0.011 nan 4.420 nan 0.000 0.269 468 P C -0.717 176.802 177.300 0.366 0.000 1.217 468 P CA 0.121 63.327 63.100 0.177 0.000 0.783 468 P CB 0.347 32.067 31.700 0.033 0.000 0.898 469 I N 0.000 120.750 120.570 0.299 0.000 2.984 469 I HA 0.000 nan 4.170 nan 0.000 0.288 469 I CA 0.000 61.524 61.300 0.373 0.000 1.566 469 I CB 0.000 38.362 38.000 0.604 0.000 1.214 469 I HN 0.000 8.333 8.210 0.204 0.000 0.494