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 1phm_1_A DATA FIRST_RESID 45 DATA SEQUENCE NEcLGTIGPV TPLDASDFAL DIRMPGVTPK ESDTYFcMSM RLPVDEEAFV DATA SEQUENCE IDFKPRASMD TVHHMLLFGc NMPSSTGSYW FcDEGTcTDK ANILYAWARN DATA SEQUENCE APPTRLPKGV GFRVGGETGS KYFVLQVHYG DIXXXXXNHK DcSGVSVHLT DATA SEQUENCE RVPQPLIAGM YLMMSVDTVI PPGEKVVNAD IScQYKMYPM HVFAYRVHTH DATA SEQUENCE HLGKVVSGYR VRNGQWTLIG RQNPQLPQAF YPVEHPVDVT FGDILAARcV DATA SEQUENCE FTGEGRTEAT HIGGTSSDEM cNLYIMYYME AKYALSFMTc TKNVAPDMFR DATA SEQUENCE TIPAEANIPI 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 45 N HA 0.000 nan 4.740 nan 0.000 0.220 45 N C 0.000 175.487 175.510 -0.038 0.000 1.280 45 N CA 0.000 53.015 53.050 -0.058 0.000 0.885 45 N CB 0.000 38.443 38.487 -0.073 0.000 1.341 46 E N 0.812 120.992 120.200 -0.034 0.000 2.418 46 E HA 0.120 4.470 4.350 -0.000 0.000 0.261 46 E C 0.172 176.758 176.600 -0.024 0.000 1.070 46 E CA 0.043 56.428 56.400 -0.025 0.000 0.931 46 E CB 0.301 29.986 29.700 -0.026 0.000 0.954 46 E HN 0.442 nan 8.360 nan 0.000 0.439 47 c N 2.179 120.769 118.600 -0.017 0.000 2.679 47 c HA 0.036 4.606 4.570 -0.000 0.000 0.417 47 c C 2.404 176.483 174.090 -0.019 0.000 1.302 47 c CA -0.391 55.926 56.329 -0.019 0.000 1.973 47 c CB -0.698 41.803 42.510 -0.016 0.000 2.715 47 c HN 0.675 nan 8.230 nan 0.000 0.628 48 L N 2.177 123.390 121.223 -0.018 0.000 2.179 48 L HA 0.174 4.514 4.340 -0.000 0.000 0.208 48 L C 2.009 178.871 176.870 -0.013 0.000 1.096 48 L CA 1.264 56.094 54.840 -0.016 0.000 0.779 48 L CB -1.160 40.891 42.059 -0.014 0.000 0.922 48 L HN 1.141 nan 8.230 nan 0.000 0.443 49 G N 0.909 109.703 108.800 -0.011 0.000 2.591 49 G HA2 -0.471 3.489 3.960 -0.000 0.000 0.298 49 G HA3 -0.471 3.489 3.960 -0.000 0.000 0.298 49 G C 0.961 175.856 174.900 -0.008 0.000 1.195 49 G CA 0.997 46.091 45.100 -0.009 0.000 0.989 49 G HN 0.342 nan 8.290 nan 0.000 0.551 50 T N 0.064 114.613 114.554 -0.009 0.000 2.929 50 T HA 0.032 4.382 4.350 -0.000 0.000 0.271 50 T C 2.568 177.262 174.700 -0.010 0.000 1.085 50 T CA 2.449 64.544 62.100 -0.009 0.000 1.125 50 T CB -0.360 68.502 68.868 -0.009 0.000 0.874 50 T HN 1.480 nan 8.240 nan 0.000 0.494 51 I N -0.957 119.606 120.570 -0.011 0.000 2.928 51 I HA 0.440 4.610 4.170 -0.000 0.000 0.266 51 I C 1.246 177.355 176.117 -0.012 0.000 1.234 51 I CA 0.295 61.587 61.300 -0.013 0.000 1.483 51 I CB -1.074 36.917 38.000 -0.014 0.000 1.097 51 I HN 0.501 nan 8.210 nan 0.000 0.455 52 G N 2.362 111.156 108.800 -0.009 0.000 2.796 52 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.571 52 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.571 52 G C -2.053 172.845 174.900 -0.003 0.000 1.370 52 G CA -0.119 44.977 45.100 -0.006 0.000 0.856 52 G HN 0.228 nan 8.290 nan 0.000 0.538 53 P HA 0.243 nan 4.420 nan 0.000 0.251 53 P C 0.326 177.647 177.300 0.035 0.000 1.223 53 P CA 0.505 63.616 63.100 0.018 0.000 0.796 53 P CB 0.457 32.177 31.700 0.033 0.000 1.068 54 V N 0.582 120.506 119.914 0.016 0.000 2.384 54 V HA 0.330 4.450 4.120 -0.000 0.000 0.287 54 V C 0.055 176.158 176.094 0.015 0.000 1.020 54 V CA -0.040 62.274 62.300 0.024 0.000 0.850 54 V CB 1.623 33.391 31.823 -0.092 0.000 0.987 54 V HN -0.082 nan 8.190 nan 0.000 0.436 55 T N 7.568 122.159 114.554 0.062 0.000 2.809 55 T HA 0.440 4.790 4.350 -0.000 0.000 0.284 55 T C -2.734 172.006 174.700 0.067 0.000 0.992 55 T CA -1.254 60.866 62.100 0.032 0.000 0.957 55 T CB 1.876 70.748 68.868 0.006 0.000 0.942 55 T HN 0.386 nan 8.240 nan 0.000 0.439 56 P HA 0.277 nan 4.420 nan 0.000 0.271 56 P C 0.172 177.493 177.300 0.036 0.000 1.216 56 P CA -0.233 62.904 63.100 0.062 0.000 0.771 56 P CB 0.732 32.444 31.700 0.021 0.000 0.864 57 L N 1.561 122.809 121.223 0.042 0.000 2.609 57 L HA 0.279 4.619 4.340 -0.000 0.000 0.230 57 L C 0.687 177.560 176.870 0.006 0.000 1.087 57 L CA 0.466 55.292 54.840 -0.024 0.000 0.874 57 L CB 0.048 42.029 42.059 -0.129 0.000 1.114 57 L HN 0.531 nan 8.230 nan 0.000 0.488 58 D N -3.253 117.172 120.400 0.041 0.000 2.918 58 D HA 0.123 4.763 4.640 -0.000 0.000 0.342 58 D C 0.429 176.765 176.300 0.059 0.000 1.403 58 D CA 0.063 54.087 54.000 0.040 0.000 0.776 58 D CB 0.290 41.113 40.800 0.040 0.000 1.365 58 D HN -0.172 nan 8.370 nan 0.000 0.468 59 A N -0.344 122.505 122.820 0.049 0.000 1.933 59 A HA 0.022 4.342 4.320 -0.000 0.000 0.218 59 A C 1.884 179.514 177.584 0.078 0.000 1.175 59 A CA 2.640 54.708 52.037 0.051 0.000 0.628 59 A CB -0.867 18.154 19.000 0.035 0.000 0.814 59 A HN 0.902 nan 8.150 nan 0.000 0.444 60 S N -1.581 114.171 115.700 0.087 0.000 2.559 60 S HA 0.287 4.757 4.470 -0.000 0.000 0.226 60 S C -0.547 174.143 174.600 0.151 0.000 1.000 60 S CA -0.267 58.000 58.200 0.112 0.000 0.948 60 S CB 0.049 63.296 63.200 0.078 0.000 0.870 60 S HN 0.339 nan 8.310 nan 0.000 0.497 61 D N 1.028 121.524 120.400 0.160 0.000 2.527 61 D HA 0.739 5.379 4.640 -0.000 0.000 0.233 61 D C -0.828 175.599 176.300 0.210 0.000 1.063 61 D CA -0.452 53.644 54.000 0.159 0.000 0.880 61 D CB 1.756 42.674 40.800 0.197 0.000 1.457 61 D HN 0.341 nan 8.370 nan 0.000 0.475 62 F N -1.008 118.962 119.950 0.034 0.000 2.693 62 F HA 0.820 5.347 4.527 0.000 0.000 0.309 62 F C -1.634 174.128 175.800 -0.064 0.000 1.129 62 F CA -1.451 56.529 58.000 -0.033 0.000 0.948 62 F CB 0.960 39.956 39.000 -0.006 0.000 1.315 62 F HN 0.341 nan 8.300 nan 0.000 0.447 63 A N 2.524 125.398 122.820 0.090 0.000 2.305 63 A HA 0.768 5.088 4.320 -0.000 0.000 0.322 63 A C -1.767 175.914 177.584 0.162 0.000 1.187 63 A CA -0.699 51.320 52.037 -0.031 0.000 0.825 63 A CB 1.299 20.236 19.000 -0.104 0.000 1.164 63 A HN 1.055 nan 8.150 nan 0.000 0.498 64 L N 2.105 123.378 121.223 0.084 0.000 2.319 64 L HA 0.569 4.909 4.340 -0.000 0.000 0.281 64 L C -1.249 175.623 176.870 0.002 0.000 1.005 64 L CA -0.175 54.750 54.840 0.142 0.000 0.828 64 L CB 1.517 43.728 42.059 0.254 0.000 1.227 64 L HN 0.654 nan 8.230 nan 0.000 0.415 65 D N 5.303 125.708 120.400 0.010 0.000 2.280 65 D HA 0.454 5.094 4.640 -0.000 0.000 0.243 65 D C -0.521 175.770 176.300 -0.015 0.000 1.129 65 D CA 0.366 54.349 54.000 -0.030 0.000 0.848 65 D CB 1.121 41.906 40.800 -0.025 0.000 1.107 65 D HN 0.441 nan 8.370 nan 0.000 0.471 66 I N 4.234 124.778 120.570 -0.044 0.000 2.359 66 I HA 0.375 4.545 4.170 -0.000 0.000 0.284 66 I C -0.107 175.995 176.117 -0.025 0.000 1.018 66 I CA -0.719 60.573 61.300 -0.013 0.000 1.173 66 I CB 0.317 38.295 38.000 -0.035 0.000 1.326 66 I HN 0.069 nan 8.210 nan 0.000 0.462 67 R N 5.881 126.374 120.500 -0.011 0.000 2.750 67 R HA 0.576 4.916 4.340 -0.000 0.000 0.281 67 R C -0.609 175.674 176.300 -0.027 0.000 0.972 67 R CA -1.224 54.859 56.100 -0.027 0.000 0.912 67 R CB 1.843 32.125 30.300 -0.030 0.000 1.187 67 R HN 0.412 nan 8.270 nan 0.000 0.464 68 M N 3.850 123.425 119.600 -0.041 0.000 2.248 68 M HA 0.109 4.589 4.480 -0.000 0.000 0.345 68 M C -1.684 174.552 176.300 -0.107 0.000 1.243 68 M CA -1.929 53.322 55.300 -0.082 0.000 1.090 68 M CB 0.222 32.793 32.600 -0.048 0.000 1.683 68 M HN 0.145 nan 8.290 nan 0.000 0.450 69 P HA 0.141 nan 4.420 nan 0.000 0.226 69 P C 0.257 177.461 177.300 -0.160 0.000 1.783 69 P CA 0.124 63.160 63.100 -0.106 0.000 0.980 69 P CB -0.606 31.068 31.700 -0.042 0.000 1.967 70 G N 1.252 109.963 108.800 -0.148 0.000 2.381 70 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.281 70 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.281 70 G C -0.037 174.702 174.900 -0.269 0.000 0.984 70 G CA -0.018 44.991 45.100 -0.153 0.000 1.339 70 G HN 0.541 nan 8.290 nan 0.000 0.485 71 V N -0.974 118.719 119.914 -0.369 0.000 2.966 71 V HA 0.985 5.105 4.120 -0.000 0.000 0.317 71 V C 0.375 176.221 176.094 -0.414 0.000 1.070 71 V CA -0.298 61.673 62.300 -0.548 0.000 1.008 71 V CB 2.318 33.622 31.823 -0.865 0.000 1.070 71 V HN 0.720 nan 8.190 nan 0.000 0.457 72 T N 3.277 117.625 114.554 -0.343 0.000 3.103 72 T HA 0.453 4.803 4.350 -0.000 0.000 0.352 72 T C -2.686 171.935 174.700 -0.132 0.000 1.048 72 T CA -0.539 61.394 62.100 -0.279 0.000 1.175 72 T CB 0.889 69.635 68.868 -0.203 0.000 1.029 72 T HN 0.743 nan 8.240 nan 0.000 0.498 73 P HA 0.220 nan 4.420 nan 0.000 0.267 73 P C 0.638 177.922 177.300 -0.028 0.000 1.200 73 P CA -0.349 62.715 63.100 -0.060 0.000 0.772 73 P CB 0.781 32.289 31.700 -0.320 0.000 0.855 74 K N 0.778 121.211 120.400 0.055 0.000 2.402 74 K HA 0.214 4.534 4.320 -0.000 0.000 0.203 74 K C 0.100 176.719 176.600 0.032 0.000 1.077 74 K CA 0.397 56.710 56.287 0.045 0.000 1.051 74 K CB 0.894 33.445 32.500 0.085 0.000 0.907 74 K HN 0.569 nan 8.250 nan 0.000 0.554 75 E N 0.179 120.395 120.200 0.027 0.000 2.367 75 E HA 0.337 4.686 4.350 -0.000 0.000 0.273 75 E C -0.957 175.646 176.600 0.005 0.000 0.903 75 E CA -0.568 55.844 56.400 0.020 0.000 0.764 75 E CB 1.943 31.662 29.700 0.032 0.000 1.252 75 E HN -0.192 nan 8.360 nan 0.000 0.446 76 S N 1.076 116.782 115.700 0.009 0.000 2.579 76 S HA 0.071 4.541 4.470 -0.000 0.000 0.275 76 S C -0.365 174.251 174.600 0.026 0.000 1.345 76 S CA -0.058 58.144 58.200 0.004 0.000 1.031 76 S CB 0.115 63.320 63.200 0.009 0.000 0.892 76 S HN 0.708 nan 8.310 nan 0.000 0.529 77 D N 0.436 120.844 120.400 0.013 0.000 2.746 77 D HA -0.117 4.523 4.640 -0.000 0.000 0.236 77 D C -0.563 175.825 176.300 0.146 0.000 1.129 77 D CA 0.968 55.050 54.000 0.138 0.000 0.691 77 D CB -1.496 39.433 40.800 0.216 0.000 1.077 77 D HN 0.440 nan 8.370 nan 0.000 0.432 78 T N 0.373 114.935 114.554 0.014 0.000 2.882 78 T HA 0.429 4.779 4.350 -0.000 0.000 0.287 78 T C -0.024 174.608 174.700 -0.112 0.000 0.992 78 T CA -0.195 61.886 62.100 -0.032 0.000 1.076 78 T CB 0.740 69.449 68.868 -0.265 0.000 0.961 78 T HN -0.004 nan 8.240 nan 0.000 0.490 79 Y N 2.121 122.394 120.300 -0.046 0.000 2.345 79 Y HA 0.524 5.074 4.550 -0.000 0.000 0.331 79 Y C -0.543 175.334 175.900 -0.037 0.000 0.959 79 Y CA -1.096 57.001 58.100 -0.006 0.000 1.204 79 Y CB 0.691 39.181 38.460 0.049 0.000 1.135 79 Y HN 0.498 nan 8.280 nan 0.000 0.477 80 F N 1.702 121.730 119.950 0.131 0.000 2.507 80 F HA 0.674 5.201 4.527 0.000 0.000 0.327 80 F C -0.022 175.663 175.800 -0.191 0.000 1.068 80 F CA -1.587 56.393 58.000 -0.032 0.000 0.965 80 F CB 1.411 40.413 39.000 0.002 0.000 1.192 80 F HN 0.345 nan 8.300 nan 0.000 0.476 81 c N 2.991 121.417 118.600 -0.290 0.000 2.802 81 c HA 0.901 5.471 4.570 -0.000 0.000 0.307 81 c C -0.557 172.971 174.090 -0.938 0.000 1.222 81 c CA -0.583 55.311 56.329 -0.726 0.000 1.580 81 c CB 1.325 43.024 42.510 -1.350 0.000 2.119 81 c HN 0.793 nan 8.230 nan 0.000 0.479 82 M N 1.315 120.549 119.600 -0.610 0.000 2.682 82 M HA 0.810 5.290 4.480 -0.000 0.000 0.272 82 M C -0.569 175.762 176.300 0.051 0.000 1.232 82 M CA -0.303 54.863 55.300 -0.224 0.000 0.849 82 M CB 1.356 33.945 32.600 -0.018 0.000 1.695 82 M HN 0.615 nan 8.290 nan 0.000 0.481 83 S N 0.729 116.601 115.700 0.287 0.000 2.627 83 S HA 0.973 5.443 4.470 -0.000 0.000 0.283 83 S C -1.041 173.763 174.600 0.341 0.000 1.127 83 S CA -0.813 57.604 58.200 0.362 0.000 0.863 83 S CB 1.943 65.409 63.200 0.443 0.000 1.121 83 S HN 0.878 nan 8.310 nan 0.000 0.479 84 M N 1.904 121.739 119.600 0.391 0.000 2.271 84 M HA 0.441 4.921 4.480 -0.000 0.000 0.285 84 M C -0.631 175.833 176.300 0.273 0.000 1.059 84 M CA -0.370 55.120 55.300 0.317 0.000 0.940 84 M CB 2.266 35.036 32.600 0.283 0.000 1.636 84 M HN 0.998 nan 8.290 nan 0.000 0.460 85 R N 1.647 122.204 120.500 0.094 0.000 2.594 85 R HA 0.509 4.849 4.340 -0.000 0.000 0.272 85 R C -0.974 175.228 176.300 -0.162 0.000 1.074 85 R CA -0.250 55.635 56.100 -0.358 0.000 1.105 85 R CB 0.507 30.619 30.300 -0.314 0.000 1.008 85 R HN 0.571 nan 8.270 nan 0.000 0.472 86 L N 6.857 127.929 121.223 -0.252 0.000 2.456 86 L HA 0.191 4.531 4.340 -0.000 0.000 0.272 86 L C -1.216 175.629 176.870 -0.041 0.000 1.189 86 L CA -1.057 53.736 54.840 -0.077 0.000 0.846 86 L CB 0.836 42.809 42.059 -0.142 0.000 1.111 86 L HN 0.775 nan 8.230 nan 0.000 0.475 87 P HA -0.045 nan 4.420 nan 0.000 0.223 87 P C -0.101 177.160 177.300 -0.065 0.000 1.151 87 P CA 0.713 63.782 63.100 -0.052 0.000 0.787 87 P CB 0.103 31.714 31.700 -0.148 0.000 0.788 88 V N -3.215 116.695 119.914 -0.006 0.000 2.628 88 V HA 0.450 4.570 4.120 -0.000 0.000 0.306 88 V C 0.679 176.763 176.094 -0.017 0.000 1.045 88 V CA -0.554 61.745 62.300 -0.001 0.000 0.905 88 V CB 1.771 33.638 31.823 0.072 0.000 0.997 88 V HN -0.321 nan 8.190 nan 0.000 0.436 89 D N 1.523 121.909 120.400 -0.024 0.000 2.240 89 D HA 0.027 4.667 4.640 -0.000 0.000 0.206 89 D C 1.076 177.362 176.300 -0.024 0.000 0.963 89 D CA 0.972 54.952 54.000 -0.034 0.000 0.863 89 D CB 0.327 41.110 40.800 -0.030 0.000 0.973 89 D HN 0.949 nan 8.370 nan 0.000 0.501 90 E N 0.622 120.818 120.200 -0.007 0.000 2.410 90 E HA -0.013 4.337 4.350 -0.000 0.000 0.255 90 E C 0.046 176.630 176.600 -0.026 0.000 1.194 90 E CA -0.545 55.853 56.400 -0.004 0.000 0.955 90 E CB 0.477 30.188 29.700 0.018 0.000 0.988 90 E HN 0.066 nan 8.360 nan 0.000 0.461 91 E N 0.102 120.273 120.200 -0.048 0.000 2.392 91 E HA 0.275 4.625 4.350 -0.000 0.000 0.264 91 E C -1.171 175.314 176.600 -0.192 0.000 1.024 91 E CA -0.137 56.174 56.400 -0.148 0.000 0.903 91 E CB 0.648 30.250 29.700 -0.163 0.000 0.963 91 E HN 0.553 nan 8.360 nan 0.000 0.432 92 A N 3.670 126.286 122.820 -0.340 0.000 2.532 92 A HA 0.695 5.015 4.320 -0.000 0.000 0.290 92 A C -1.679 175.535 177.584 -0.616 0.000 1.143 92 A CA -0.756 51.117 52.037 -0.274 0.000 0.728 92 A CB 0.966 19.938 19.000 -0.047 0.000 1.317 92 A HN 0.539 nan 8.150 nan 0.000 0.414 93 F N 0.155 120.107 119.950 0.003 0.000 2.518 93 F HA 0.485 5.012 4.527 -0.000 0.000 0.323 93 F C -0.014 175.765 175.800 -0.035 0.000 1.129 93 F CA -0.699 57.306 58.000 0.010 0.000 0.920 93 F CB 2.272 41.255 39.000 -0.028 0.000 1.160 93 F HN 0.235 nan 8.300 nan 0.000 0.440 94 V N 5.380 125.388 119.914 0.158 0.000 2.389 94 V HA 0.130 4.250 4.120 -0.000 0.000 0.264 94 V C 0.918 176.986 176.094 -0.043 0.000 1.049 94 V CA -0.050 62.254 62.300 0.007 0.000 0.932 94 V CB 0.484 32.351 31.823 0.073 0.000 1.011 94 V HN 0.787 nan 8.190 nan 0.000 0.475 95 I N -0.162 120.269 120.570 -0.232 0.000 4.082 95 I HA 0.594 4.764 4.170 -0.000 0.000 0.337 95 I C 0.122 176.059 176.117 -0.301 0.000 1.352 95 I CA 0.199 61.347 61.300 -0.253 0.000 1.097 95 I CB 0.664 38.462 38.000 -0.336 0.000 1.048 95 I HN 0.512 nan 8.210 nan 0.000 0.393 96 D N 0.356 120.481 120.400 -0.459 0.000 2.728 96 D HA 0.470 5.110 4.640 -0.000 0.000 0.249 96 D C -1.806 174.100 176.300 -0.657 0.000 1.225 96 D CA -0.281 53.517 54.000 -0.337 0.000 0.748 96 D CB 1.907 42.644 40.800 -0.105 0.000 1.326 96 D HN -0.012 nan 8.370 nan 0.000 0.426 97 F N 0.950 120.813 119.950 -0.145 0.000 2.569 97 F HA 0.517 5.044 4.527 -0.000 0.000 0.312 97 F C 0.077 175.722 175.800 -0.257 0.000 1.109 97 F CA -0.798 56.978 58.000 -0.374 0.000 0.919 97 F CB 2.005 40.459 39.000 -0.909 0.000 1.211 97 F HN -0.203 nan 8.300 nan 0.000 0.446 98 K N 3.591 123.943 120.400 -0.079 0.000 2.502 98 K HA 0.403 4.722 4.320 -0.000 0.000 0.254 98 K C -2.949 173.606 176.600 -0.076 0.000 0.947 98 K CA -2.185 54.084 56.287 -0.031 0.000 0.834 98 K CB 2.167 34.640 32.500 -0.044 0.000 1.112 98 K HN 0.209 nan 8.250 nan 0.000 0.427 99 P HA 0.229 nan 4.420 nan 0.000 0.275 99 P C -0.420 176.728 177.300 -0.252 0.000 1.227 99 P CA -0.459 62.521 63.100 -0.200 0.000 0.781 99 P CB 0.815 32.273 31.700 -0.404 0.000 0.906 100 R N 1.543 121.870 120.500 -0.289 0.000 2.681 100 R HA 0.529 4.869 4.340 -0.000 0.000 0.277 100 R C -0.377 175.751 176.300 -0.288 0.000 1.563 100 R CA -0.607 55.357 56.100 -0.226 0.000 1.673 100 R CB 0.773 30.985 30.300 -0.148 0.000 1.258 100 R HN 0.511 nan 8.270 nan 0.000 0.650 101 A N 0.534 123.090 122.820 -0.440 0.000 2.317 101 A HA 0.543 4.863 4.320 -0.000 0.000 0.327 101 A C 0.008 177.438 177.584 -0.257 0.000 1.178 101 A CA -0.401 51.348 52.037 -0.480 0.000 0.817 101 A CB 1.008 19.356 19.000 -1.086 0.000 1.189 101 A HN 0.272 nan 8.150 nan 0.000 0.489 102 S N 3.503 119.126 115.700 -0.127 0.000 2.416 102 S HA 0.088 4.558 4.470 -0.000 0.000 0.302 102 S C 1.513 176.120 174.600 0.011 0.000 1.120 102 S CA -0.511 57.676 58.200 -0.021 0.000 1.067 102 S CB 0.150 63.391 63.200 0.068 0.000 1.057 102 S HN 0.644 nan 8.310 nan 0.000 0.518 103 M N 2.132 121.745 119.600 0.023 0.000 2.192 103 M HA -0.173 4.307 4.480 -0.000 0.000 0.256 103 M C 1.235 177.595 176.300 0.100 0.000 1.076 103 M CA 1.547 56.904 55.300 0.095 0.000 1.075 103 M CB -1.034 31.619 32.600 0.087 0.000 1.368 103 M HN 0.504 nan 8.290 nan 0.000 0.406 104 D N -1.100 119.347 120.400 0.078 0.000 2.085 104 D HA -0.102 4.538 4.640 -0.000 0.000 0.199 104 D C 2.026 178.382 176.300 0.094 0.000 0.981 104 D CA 1.886 55.933 54.000 0.079 0.000 0.834 104 D CB -0.316 40.524 40.800 0.068 0.000 0.992 104 D HN 0.334 nan 8.370 nan 0.000 0.457 105 T N 0.183 114.808 114.554 0.118 0.000 3.031 105 T HA 0.040 4.390 4.350 -0.000 0.000 0.254 105 T C 0.737 175.503 174.700 0.111 0.000 1.060 105 T CA 0.036 62.220 62.100 0.141 0.000 1.135 105 T CB 0.032 69.023 68.868 0.205 0.000 0.896 105 T HN -0.195 nan 8.240 nan 0.000 0.472 106 V N 3.821 123.776 119.914 0.067 0.000 2.421 106 V HA 0.123 4.243 4.120 -0.000 0.000 0.271 106 V C 1.369 177.508 176.094 0.075 0.000 1.031 106 V CA -0.078 62.184 62.300 -0.065 0.000 1.032 106 V CB 0.569 32.319 31.823 -0.122 0.000 1.009 106 V HN 0.530 nan 8.190 nan 0.000 0.477 107 H N 5.498 124.467 119.070 -0.168 0.000 2.317 107 H HA 0.067 4.623 4.556 -0.000 0.000 0.304 107 H C 0.668 176.080 175.328 0.140 0.000 1.067 107 H CA 1.533 57.545 56.048 -0.060 0.000 1.352 107 H CB 0.575 30.175 29.762 -0.269 0.000 1.398 107 H HN 0.862 nan 8.280 nan 0.000 0.510 108 H N -1.643 117.492 119.070 0.109 0.000 3.014 108 H HA 0.401 4.957 4.556 0.000 0.000 0.337 108 H C -1.541 173.885 175.328 0.163 0.000 1.320 108 H CA -0.991 55.129 56.048 0.121 0.000 1.128 108 H CB 1.554 31.332 29.762 0.027 0.000 1.862 108 H HN 0.098 nan 8.280 nan 0.000 0.536 109 M N 2.117 121.889 119.600 0.286 0.000 2.501 109 M HA 0.499 4.979 4.480 -0.000 0.000 0.293 109 M C -1.424 174.974 176.300 0.164 0.000 1.192 109 M CA -0.721 54.656 55.300 0.128 0.000 0.886 109 M CB 3.315 35.974 32.600 0.097 0.000 1.710 109 M HN 0.388 nan 8.290 nan 0.000 0.457 110 L N 2.729 124.007 121.223 0.092 0.000 2.401 110 L HA 0.702 5.042 4.340 -0.000 0.000 0.266 110 L C -1.533 175.247 176.870 -0.149 0.000 0.991 110 L CA -0.946 53.839 54.840 -0.091 0.000 0.818 110 L CB 2.493 44.471 42.059 -0.135 0.000 1.321 110 L HN 0.534 nan 8.230 nan 0.000 0.413 111 L N 2.366 123.417 121.223 -0.285 0.000 2.333 111 L HA 0.673 5.013 4.340 -0.000 0.000 0.280 111 L C -1.293 175.337 176.870 -0.400 0.000 1.004 111 L CA 0.171 54.905 54.840 -0.177 0.000 0.820 111 L CB 1.394 43.411 42.059 -0.071 0.000 1.247 111 L HN 0.255 nan 8.230 nan 0.000 0.416 112 F N 2.135 122.170 119.950 0.141 0.000 2.575 112 F HA 0.836 5.363 4.527 -0.000 0.000 0.330 112 F C 0.824 176.757 175.800 0.222 0.000 1.056 112 F CA -0.612 57.469 58.000 0.136 0.000 0.964 112 F CB 2.102 41.173 39.000 0.118 0.000 1.258 112 F HN 0.533 nan 8.300 nan 0.000 0.484 113 G N -0.242 108.769 108.800 0.351 0.000 2.461 113 G HA2 0.634 4.593 3.960 -0.000 0.000 0.323 113 G HA3 0.634 4.593 3.960 -0.000 0.000 0.323 113 G C -1.377 173.623 174.900 0.167 0.000 1.229 113 G CA -0.703 44.523 45.100 0.209 0.000 0.941 113 G HN 1.130 nan 8.290 nan 0.000 0.477 114 c N 0.735 119.414 118.600 0.133 0.000 3.284 114 c HA 0.609 5.179 4.570 -0.000 0.000 0.348 114 c C 0.168 174.341 174.090 0.140 0.000 1.448 114 c CA -0.917 55.470 56.329 0.096 0.000 1.223 114 c CB 1.270 43.822 42.510 0.071 0.000 1.588 114 c HN 0.511 nan 8.230 nan 0.000 0.451 115 N N -0.053 118.706 118.700 0.097 0.000 2.294 115 N HA 0.248 4.988 4.740 -0.000 0.000 0.186 115 N C -0.466 175.076 175.510 0.052 0.000 1.107 115 N CA 0.686 53.832 53.050 0.161 0.000 0.884 115 N CB 0.313 38.859 38.487 0.098 0.000 1.030 115 N HN 0.747 nan 8.380 nan 0.000 0.482 116 M N 1.036 120.592 119.600 -0.072 0.000 1.949 116 M HA 0.346 4.826 4.480 -0.000 0.000 0.234 116 M C -2.823 173.349 176.300 -0.213 0.000 0.855 116 M CA -1.450 53.737 55.300 -0.188 0.000 0.800 116 M CB 2.730 35.262 32.600 -0.113 0.000 1.697 116 M HN -0.323 nan 8.290 nan 0.000 0.357 117 P HA 0.124 nan 4.420 nan 0.000 0.267 117 P C 0.308 177.431 177.300 -0.295 0.000 1.200 117 P CA 0.229 63.229 63.100 -0.168 0.000 0.772 117 P CB 0.874 32.490 31.700 -0.139 0.000 0.855 118 S N 0.066 115.593 115.700 -0.289 0.000 2.400 118 S HA -0.088 4.382 4.470 -0.000 0.000 0.232 118 S C 1.000 175.158 174.600 -0.737 0.000 1.025 118 S CA 1.368 59.303 58.200 -0.441 0.000 0.993 118 S CB -0.224 62.792 63.200 -0.307 0.000 0.808 118 S HN 0.644 nan 8.310 nan 0.000 0.478 119 S N 0.181 115.112 115.700 -1.282 0.000 2.542 119 S HA 0.399 4.869 4.470 -0.000 0.000 0.293 119 S C 0.538 174.760 174.600 -0.629 0.000 1.089 119 S CA -0.415 57.170 58.200 -1.024 0.000 0.961 119 S CB 1.807 64.222 63.200 -1.309 0.000 1.062 119 S HN 0.242 nan 8.310 nan 0.000 0.483 120 T N 1.194 115.551 114.554 -0.328 0.000 3.144 120 T HA 0.352 4.702 4.350 -0.000 0.000 0.249 120 T C 1.094 175.763 174.700 -0.051 0.000 1.089 120 T CA 0.074 62.082 62.100 -0.154 0.000 0.989 120 T CB -0.360 68.438 68.868 -0.116 0.000 0.992 120 T HN 0.724 nan 8.240 nan 0.000 0.540 121 G N 1.033 109.806 108.800 -0.046 0.000 2.486 121 G HA2 0.303 4.263 3.960 -0.000 0.000 0.272 121 G HA3 0.303 4.263 3.960 -0.000 0.000 0.272 121 G C 1.083 176.066 174.900 0.137 0.000 1.426 121 G CA 0.067 45.188 45.100 0.035 0.000 1.058 121 G HN 0.279 nan 8.290 nan 0.000 0.531 122 S N -1.945 113.820 115.700 0.107 0.000 2.421 122 S HA 0.226 4.696 4.470 -0.000 0.000 0.224 122 S C 0.350 175.114 174.600 0.274 0.000 1.035 122 S CA 1.252 59.550 58.200 0.164 0.000 0.953 122 S CB -0.289 62.998 63.200 0.145 0.000 0.810 122 S HN 0.882 nan 8.310 nan 0.000 0.497 123 Y N -1.971 118.389 120.300 0.100 0.000 2.779 123 Y HA 0.602 5.152 4.550 -0.000 0.000 0.340 123 Y C -1.618 174.383 175.900 0.170 0.000 1.252 123 Y CA -1.804 56.293 58.100 -0.006 0.000 1.072 123 Y CB -0.073 38.207 38.460 -0.300 0.000 1.343 123 Y HN 0.295 nan 8.280 nan 0.000 0.450 124 W N -0.336 120.919 121.300 -0.075 0.000 2.982 124 W HA 0.731 5.391 4.660 0.000 0.000 0.344 124 W C -2.661 173.942 176.519 0.139 0.000 1.215 124 W CA -1.998 55.276 57.345 -0.117 0.000 1.182 124 W CB 0.391 29.842 29.460 -0.014 0.000 1.437 124 W HN 0.527 nan 8.180 nan 0.000 0.570 125 F N 1.974 122.246 119.950 0.536 0.000 2.438 125 F HA 0.294 4.821 4.527 -0.000 0.000 0.356 125 F C 1.373 177.412 175.800 0.398 0.000 1.099 125 F CA -0.408 57.858 58.000 0.443 0.000 1.185 125 F CB 0.619 39.822 39.000 0.339 0.000 1.115 125 F HN 0.516 nan 8.300 nan 0.000 0.526 126 c N 1.141 119.962 118.600 0.368 0.000 2.443 126 c HA -0.151 4.419 4.570 -0.000 0.000 0.290 126 c C 1.861 176.131 174.090 0.301 0.000 1.476 126 c CA 0.207 56.725 56.329 0.315 0.000 1.772 126 c CB -1.165 41.452 42.510 0.178 0.000 1.714 126 c HN 0.775 nan 8.230 nan 0.000 0.562 127 D N 0.791 121.355 120.400 0.273 0.000 2.351 127 D HA -0.113 4.527 4.640 -0.000 0.000 0.216 127 D C 2.000 178.400 176.300 0.167 0.000 0.968 127 D CA 0.825 54.918 54.000 0.154 0.000 0.899 127 D CB -0.375 40.493 40.800 0.114 0.000 0.907 127 D HN 0.647 nan 8.370 nan 0.000 0.514 128 E N -0.132 120.232 120.200 0.273 0.000 2.230 128 E HA 0.162 4.512 4.350 -0.000 0.000 0.192 128 E C 0.611 177.282 176.600 0.118 0.000 0.987 128 E CA 0.491 56.995 56.400 0.173 0.000 0.841 128 E CB 0.356 30.166 29.700 0.184 0.000 0.783 128 E HN 0.210 nan 8.360 nan 0.000 0.481 129 G N -1.722 107.219 108.800 0.235 0.000 2.406 129 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.680 129 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.680 129 G C 0.168 175.266 174.900 0.331 0.000 1.338 129 G CA -0.250 44.950 45.100 0.167 0.000 0.941 129 G HN 0.003 nan 8.290 nan 0.000 0.633 130 T N -0.817 113.829 114.554 0.153 0.000 2.898 130 T HA 0.271 4.621 4.350 -0.000 0.000 0.241 130 T C 0.760 175.538 174.700 0.130 0.000 1.024 130 T CA 1.692 63.884 62.100 0.154 0.000 1.174 130 T CB -0.121 68.603 68.868 -0.240 0.000 0.873 130 T HN 0.875 nan 8.240 nan 0.000 0.422 131 c N 0.853 119.433 118.600 -0.032 0.000 2.898 131 c HA 0.523 5.093 4.570 -0.000 0.000 0.304 131 c C 1.850 175.897 174.090 -0.073 0.000 1.237 131 c CA -0.786 55.513 56.329 -0.050 0.000 1.529 131 c CB 1.657 44.133 42.510 -0.057 0.000 2.021 131 c HN 0.434 nan 8.230 nan 0.000 0.474 132 T N 1.043 115.544 114.554 -0.088 0.000 2.851 132 T HA -0.050 4.300 4.350 -0.000 0.000 0.262 132 T C 0.775 175.437 174.700 -0.063 0.000 1.043 132 T CA 1.412 63.463 62.100 -0.080 0.000 1.140 132 T CB -0.247 68.565 68.868 -0.093 0.000 0.872 132 T HN 0.915 nan 8.240 nan 0.000 0.446 133 D N 1.280 121.642 120.400 -0.062 0.000 2.425 133 D HA 0.181 4.821 4.640 -0.000 0.000 0.274 133 D C -0.175 176.086 176.300 -0.065 0.000 1.242 133 D CA -0.481 53.486 54.000 -0.055 0.000 1.060 133 D CB 0.393 41.165 40.800 -0.046 0.000 1.112 133 D HN -0.139 nan 8.370 nan 0.000 0.561 134 K N -0.655 119.697 120.400 -0.081 0.000 2.339 134 K HA 0.534 4.854 4.320 -0.000 0.000 0.286 134 K C -0.410 176.139 176.600 -0.084 0.000 1.050 134 K CA -0.292 55.940 56.287 -0.091 0.000 0.956 134 K CB 1.021 33.445 32.500 -0.128 0.000 0.990 134 K HN 0.514 nan 8.250 nan 0.000 0.475 135 A N 4.251 127.036 122.820 -0.058 0.000 2.354 135 A HA 0.248 4.568 4.320 -0.000 0.000 0.281 135 A C -0.536 177.155 177.584 0.178 0.000 1.174 135 A CA -0.642 51.391 52.037 -0.006 0.000 0.828 135 A CB 0.056 18.872 19.000 -0.306 0.000 1.099 135 A HN 0.674 nan 8.150 nan 0.000 0.516 136 N N 2.736 121.570 118.700 0.223 0.000 2.462 136 N HA 0.170 4.910 4.740 -0.000 0.000 0.242 136 N C -0.428 175.266 175.510 0.306 0.000 1.010 136 N CA -0.077 53.119 53.050 0.243 0.000 0.939 136 N CB 1.414 39.984 38.487 0.139 0.000 1.127 136 N HN 0.769 nan 8.380 nan 0.000 0.509 137 I N 2.663 123.423 120.570 0.316 0.000 2.683 137 I HA -0.088 4.082 4.170 -0.000 0.000 0.286 137 I C 0.721 176.733 176.117 -0.176 0.000 1.175 137 I CA 0.239 61.490 61.300 -0.081 0.000 1.429 137 I CB 0.660 38.572 38.000 -0.147 0.000 1.371 137 I HN 0.479 nan 8.210 nan 0.000 0.569 138 L N 7.731 128.732 121.223 -0.371 0.000 2.685 138 L HA 0.280 4.620 4.340 -0.000 0.000 0.235 138 L C -0.583 175.960 176.870 -0.546 0.000 1.070 138 L CA -0.313 54.158 54.840 -0.616 0.000 0.888 138 L CB 0.196 41.930 42.059 -0.542 0.000 1.203 138 L HN 0.579 nan 8.230 nan 0.000 0.499 139 Y N 0.329 120.257 120.300 -0.621 0.000 2.565 139 Y HA 0.655 5.205 4.550 0.000 0.000 0.330 139 Y C -1.754 173.982 175.900 -0.273 0.000 1.150 139 Y CA -1.088 56.649 58.100 -0.604 0.000 1.055 139 Y CB 1.431 39.174 38.460 -1.196 0.000 1.337 139 Y HN -0.138 nan 8.280 nan 0.000 0.457 140 A N 4.004 126.451 122.820 -0.622 0.000 2.393 140 A HA 0.673 4.993 4.320 -0.000 0.000 0.306 140 A C -2.501 174.636 177.584 -0.744 0.000 1.050 140 A CA -0.509 51.228 52.037 -0.500 0.000 0.724 140 A CB 0.936 19.713 19.000 -0.372 0.000 1.248 140 A HN 0.837 nan 8.150 nan 0.000 0.424 141 W N 2.572 123.530 121.300 -0.570 0.000 2.619 141 W HA 0.663 5.324 4.660 0.000 0.000 0.327 141 W C -0.493 175.892 176.519 -0.223 0.000 1.027 141 W CA -0.125 56.973 57.345 -0.412 0.000 1.233 141 W CB 1.632 30.974 29.460 -0.197 0.000 1.370 141 W HN 0.987 nan 8.180 nan 0.000 0.453 142 A N 6.249 128.521 122.820 -0.913 0.000 2.342 142 A HA 0.420 4.740 4.320 -0.000 0.000 0.323 142 A C 1.115 177.936 177.584 -1.273 0.000 1.125 142 A CA -0.728 50.828 52.037 -0.802 0.000 0.785 142 A CB 1.519 20.195 19.000 -0.539 0.000 1.221 142 A HN 0.948 nan 8.150 nan 0.000 0.463 143 R N 1.578 121.434 120.500 -1.073 0.000 2.136 143 R HA -0.197 4.143 4.340 -0.000 0.000 0.242 143 R C 0.156 176.141 176.300 -0.525 0.000 1.131 143 R CA 2.381 57.985 56.100 -0.827 0.000 0.937 143 R CB -0.088 29.972 30.300 -0.399 0.000 0.863 143 R HN 0.802 nan 8.270 nan 0.000 0.435 144 N N -0.450 118.024 118.700 -0.376 0.000 2.295 144 N HA 0.138 4.878 4.740 -0.000 0.000 0.221 144 N C -1.031 174.360 175.510 -0.199 0.000 1.129 144 N CA 0.562 53.481 53.050 -0.218 0.000 0.836 144 N CB 1.686 40.101 38.487 -0.120 0.000 1.040 144 N HN 0.239 nan 8.380 nan 0.000 0.494 145 A N 1.299 123.927 122.820 -0.320 0.000 2.876 145 A HA 0.436 4.756 4.320 -0.000 0.000 0.309 145 A C -2.751 174.606 177.584 -0.379 0.000 1.168 145 A CA -1.086 50.792 52.037 -0.266 0.000 0.762 145 A CB 0.823 19.669 19.000 -0.257 0.000 1.262 145 A HN -0.137 nan 8.150 nan 0.000 0.435 146 P HA 0.178 nan 4.420 nan 0.000 0.264 146 P C -2.094 175.104 177.300 -0.170 0.000 1.183 146 P CA -0.242 62.748 63.100 -0.185 0.000 0.763 146 P CB 0.204 31.878 31.700 -0.044 0.000 0.807 147 P HA 0.088 nan 4.420 nan 0.000 0.272 147 P C -0.676 176.643 177.300 0.032 0.000 1.240 147 P CA 0.052 63.103 63.100 -0.083 0.000 0.791 147 P CB 0.602 32.297 31.700 -0.008 0.000 0.978 148 T N 1.056 115.644 114.554 0.056 0.000 2.895 148 T HA 0.313 4.663 4.350 -0.000 0.000 0.283 148 T C 0.388 175.186 174.700 0.164 0.000 1.014 148 T CA -0.577 61.585 62.100 0.103 0.000 1.037 148 T CB 1.210 70.141 68.868 0.106 0.000 1.006 148 T HN 0.349 nan 8.240 nan 0.000 0.468 149 R N 1.790 122.376 120.500 0.144 0.000 2.679 149 R HA 0.309 4.649 4.340 -0.000 0.000 0.269 149 R C -0.219 176.157 176.300 0.127 0.000 1.076 149 R CA -0.473 55.717 56.100 0.150 0.000 1.160 149 R CB 0.259 30.612 30.300 0.089 0.000 1.054 149 R HN 0.558 nan 8.270 nan 0.000 0.507 150 L N 4.267 125.566 121.223 0.126 0.000 2.439 150 L HA 0.210 4.550 4.340 -0.000 0.000 0.269 150 L C -1.817 174.957 176.870 -0.161 0.000 1.179 150 L CA -1.760 53.081 54.840 0.002 0.000 0.828 150 L CB 0.741 42.826 42.059 0.044 0.000 1.106 150 L HN 0.538 nan 8.230 nan 0.000 0.467 151 P HA 0.029 nan 4.420 nan 0.000 0.269 151 P C -0.849 176.282 177.300 -0.281 0.000 1.209 151 P CA -0.286 62.613 63.100 -0.336 0.000 0.776 151 P CB 0.468 31.866 31.700 -0.505 0.000 0.876 152 K N 1.798 122.071 120.400 -0.213 0.000 2.401 152 K HA 0.284 4.604 4.320 -0.000 0.000 0.278 152 K C 1.057 177.515 176.600 -0.236 0.000 1.018 152 K CA 0.760 56.932 56.287 -0.191 0.000 0.981 152 K CB -0.423 31.992 32.500 -0.142 0.000 0.933 152 K HN 0.747 nan 8.250 nan 0.000 0.477 153 G N 1.845 110.510 108.800 -0.226 0.000 2.194 153 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.236 153 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.236 153 G C -0.306 174.436 174.900 -0.264 0.000 0.987 153 G CA 0.025 44.981 45.100 -0.241 0.000 0.635 153 G HN 0.506 nan 8.290 nan 0.000 0.520 154 V N 0.908 120.659 119.914 -0.273 0.000 2.427 154 V HA 0.816 4.936 4.120 -0.000 0.000 0.286 154 V C 0.744 176.741 176.094 -0.161 0.000 1.034 154 V CA 0.305 62.458 62.300 -0.245 0.000 0.893 154 V CB 1.423 33.047 31.823 -0.333 0.000 0.982 154 V HN 1.083 nan 8.190 nan 0.000 0.452 155 G N 2.861 111.606 108.800 -0.092 0.000 2.706 155 G HA2 0.659 4.619 3.960 -0.000 0.000 0.297 155 G HA3 0.659 4.619 3.960 -0.000 0.000 0.297 155 G C -1.474 173.496 174.900 0.117 0.000 1.403 155 G CA -0.604 44.516 45.100 0.034 0.000 0.954 155 G HN 0.348 nan 8.290 nan 0.000 0.500 156 F N 1.063 121.132 119.950 0.199 0.000 2.412 156 F HA 0.441 4.968 4.527 -0.000 0.000 0.348 156 F C 1.438 177.333 175.800 0.159 0.000 1.102 156 F CA -0.505 57.616 58.000 0.201 0.000 1.196 156 F CB 1.390 40.521 39.000 0.218 0.000 1.144 156 F HN 0.409 nan 8.300 nan 0.000 0.541 157 R N 3.035 123.711 120.500 0.293 0.000 2.297 157 R HA 0.723 5.063 4.340 -0.000 0.000 0.308 157 R C -1.258 175.037 176.300 -0.007 0.000 1.029 157 R CA -0.603 55.473 56.100 -0.039 0.000 0.929 157 R CB 1.024 31.305 30.300 -0.032 0.000 1.046 157 R HN 0.548 nan 8.270 nan 0.000 0.461 158 V N -0.763 119.060 119.914 -0.152 0.000 3.167 158 V HA 0.870 4.990 4.120 -0.000 0.000 0.310 158 V C 0.502 176.506 176.094 -0.150 0.000 1.207 158 V CA -0.123 62.119 62.300 -0.096 0.000 1.059 158 V CB 0.989 32.750 31.823 -0.104 0.000 1.079 158 V HN 1.178 nan 8.190 nan 0.000 0.446 159 G N -0.076 108.649 108.800 -0.126 0.000 2.601 159 G HA2 0.342 4.302 3.960 -0.000 0.000 0.261 159 G HA3 0.342 4.302 3.960 -0.000 0.000 0.261 159 G C 1.188 176.043 174.900 -0.075 0.000 1.289 159 G CA 0.691 45.726 45.100 -0.108 0.000 0.920 159 G HN 3.234 nan 8.290 nan 0.000 0.571 160 G N -1.609 107.155 108.800 -0.060 0.000 2.569 160 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.259 160 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.259 160 G C 0.792 175.685 174.900 -0.013 0.000 1.263 160 G CA 1.219 46.298 45.100 -0.034 0.000 0.928 160 G HN 1.545 nan 8.290 nan 0.000 0.572 161 E N -0.360 119.842 120.200 0.004 0.000 2.158 161 E HA 0.037 4.387 4.350 -0.000 0.000 0.191 161 E C 2.509 179.130 176.600 0.035 0.000 0.982 161 E CA 1.674 58.086 56.400 0.019 0.000 0.823 161 E CB -0.040 29.675 29.700 0.025 0.000 0.766 161 E HN 0.732 nan 8.360 nan 0.000 0.468 162 T N -2.700 111.880 114.554 0.043 0.000 2.975 162 T HA 0.213 4.563 4.350 -0.000 0.000 0.261 162 T C 0.903 175.669 174.700 0.109 0.000 0.984 162 T CA -0.013 62.135 62.100 0.081 0.000 0.911 162 T CB 0.626 69.547 68.868 0.088 0.000 1.127 162 T HN 0.061 nan 8.240 nan 0.000 0.514 163 G N 1.211 110.048 108.800 0.061 0.000 2.599 163 G HA2 0.467 4.427 3.960 -0.000 0.000 0.264 163 G HA3 0.467 4.427 3.960 -0.000 0.000 0.264 163 G C -0.290 174.634 174.900 0.040 0.000 1.200 163 G CA -0.548 44.592 45.100 0.067 0.000 0.896 163 G HN 0.308 nan 8.290 nan 0.000 0.536 164 S N 0.169 115.889 115.700 0.034 0.000 2.558 164 S HA 0.056 4.526 4.470 -0.000 0.000 0.293 164 S C 1.102 175.636 174.600 -0.109 0.000 1.292 164 S CA -0.188 58.001 58.200 -0.018 0.000 1.063 164 S CB 0.928 64.097 63.200 -0.051 0.000 0.831 164 S HN 0.507 nan 8.310 nan 0.000 0.499 165 K N 1.690 122.056 120.400 -0.057 0.000 2.356 165 K HA 0.176 4.496 4.320 -0.000 0.000 0.195 165 K C -0.400 175.936 176.600 -0.439 0.000 1.037 165 K CA 0.774 56.944 56.287 -0.195 0.000 1.014 165 K CB 0.133 32.563 32.500 -0.117 0.000 0.815 165 K HN 0.584 nan 8.250 nan 0.000 0.507 166 Y N -1.105 119.107 120.300 -0.147 0.000 2.576 166 Y HA 0.424 4.974 4.550 -0.000 0.000 0.346 166 Y C -0.364 175.443 175.900 -0.156 0.000 1.018 166 Y CA -1.372 56.669 58.100 -0.097 0.000 1.050 166 Y CB 1.292 39.774 38.460 0.036 0.000 1.280 166 Y HN -0.284 nan 8.280 nan 0.000 0.474 167 F N 0.884 121.003 119.950 0.281 0.000 2.480 167 F HA 0.699 5.226 4.527 -0.000 0.000 0.329 167 F C -0.616 175.342 175.800 0.264 0.000 1.091 167 F CA -1.294 56.840 58.000 0.222 0.000 0.972 167 F CB 1.735 40.827 39.000 0.154 0.000 1.150 167 F HN 0.019 nan 8.300 nan 0.000 0.467 168 V N 4.801 125.008 119.914 0.488 0.000 2.531 168 V HA 0.444 4.564 4.120 -0.000 0.000 0.301 168 V C -1.033 175.272 176.094 0.353 0.000 1.034 168 V CA -0.753 61.783 62.300 0.393 0.000 0.865 168 V CB 1.906 33.964 31.823 0.391 0.000 0.995 168 V HN 0.544 nan 8.190 nan 0.000 0.424 169 L N 4.445 125.788 121.223 0.200 0.000 2.317 169 L HA 0.658 4.998 4.340 -0.000 0.000 0.281 169 L C -0.373 176.541 176.870 0.074 0.000 1.024 169 L CA 0.221 55.136 54.840 0.124 0.000 0.810 169 L CB 1.679 43.769 42.059 0.052 0.000 1.240 169 L HN 0.809 nan 8.230 nan 0.000 0.427 170 Q N 3.831 123.703 119.800 0.120 0.000 2.325 170 Q HA 0.655 4.994 4.340 -0.000 0.000 0.270 170 Q C -1.978 174.025 176.000 0.005 0.000 1.020 170 Q CA -0.714 55.153 55.803 0.106 0.000 0.785 170 Q CB 1.906 30.813 28.738 0.281 0.000 1.259 170 Q HN 0.617 nan 8.270 nan 0.000 0.452 171 V N 3.997 123.857 119.914 -0.091 0.000 2.495 171 V HA 0.292 4.412 4.120 -0.000 0.000 0.298 171 V C -0.586 175.209 176.094 -0.499 0.000 1.031 171 V CA -0.717 61.387 62.300 -0.328 0.000 0.871 171 V CB 1.577 33.144 31.823 -0.427 0.000 0.988 171 V HN 0.783 nan 8.190 nan 0.000 0.432 172 H N 4.933 123.512 119.070 -0.817 0.000 2.581 172 H HA 0.414 4.970 4.556 -0.000 0.000 0.308 172 H C -1.588 173.327 175.328 -0.687 0.000 1.040 172 H CA -0.583 54.898 56.048 -0.945 0.000 1.231 172 H CB 0.689 29.716 29.762 -1.226 0.000 1.396 172 H HN 0.609 nan 8.280 nan 0.000 0.467 173 Y N 3.845 123.812 120.300 -0.555 0.000 2.383 173 Y HA 0.204 4.754 4.550 0.000 0.000 0.344 173 Y C 1.094 176.648 175.900 -0.577 0.000 0.986 173 Y CA 0.230 58.072 58.100 -0.431 0.000 1.175 173 Y CB 1.824 40.124 38.460 -0.266 0.000 1.152 173 Y HN 0.813 nan 8.280 nan 0.000 0.511 174 G N 1.716 110.279 108.800 -0.395 0.000 2.682 174 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.221 174 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.221 174 G C -0.434 174.405 174.900 -0.102 0.000 1.386 174 G CA 0.074 44.973 45.100 -0.335 0.000 0.909 174 G HN 0.536 nan 8.290 nan 0.000 0.558 175 D N 0.564 120.944 120.400 -0.033 0.000 2.264 175 D HA 0.402 5.042 4.640 -0.000 0.000 0.250 175 D C 0.545 176.858 176.300 0.022 0.000 1.113 175 D CA -0.515 53.488 54.000 0.005 0.000 0.871 175 D CB 0.714 41.530 40.800 0.027 0.000 1.167 175 D HN 0.371 nan 8.370 nan 0.000 0.447 183 H N 2.541 121.588 119.070 -0.039 0.000 2.848 183 H HA 0.281 4.837 4.556 -0.000 0.000 0.341 183 H C -0.766 174.520 175.328 -0.069 0.000 1.060 183 H CA 0.365 56.386 56.048 -0.046 0.000 1.444 183 H CB 0.893 30.632 29.762 -0.037 0.000 1.446 183 H HN 0.052 nan 8.280 nan 0.000 0.583 184 K N 3.481 123.862 120.400 -0.032 0.000 2.276 184 K HA 0.040 4.360 4.320 -0.000 0.000 0.283 184 K C -0.063 176.521 176.600 -0.026 0.000 1.044 184 K CA -0.423 55.798 56.287 -0.109 0.000 0.944 184 K CB 0.805 33.268 32.500 -0.061 0.000 1.012 184 K HN 0.632 nan 8.250 nan 0.000 0.472 185 D N 2.607 122.924 120.400 -0.138 0.000 2.193 185 D HA 0.151 4.791 4.640 -0.000 0.000 0.244 185 D C -0.726 175.559 176.300 -0.025 0.000 1.064 185 D CA -0.505 53.481 54.000 -0.023 0.000 0.845 185 D CB 1.203 41.979 40.800 -0.041 0.000 1.148 185 D HN 0.507 nan 8.370 nan 0.000 0.464 186 c N 3.182 121.785 118.600 0.005 0.000 2.667 186 c HA 0.295 4.865 4.570 -0.000 0.000 0.261 186 c C 0.607 174.684 174.090 -0.023 0.000 1.590 186 c CA -0.522 55.795 56.329 -0.020 0.000 1.668 186 c CB -1.340 41.154 42.510 -0.026 0.000 2.962 186 c HN 0.433 nan 8.230 nan 0.000 0.525 187 S N 0.997 116.695 115.700 -0.003 0.000 2.585 187 S HA 0.690 5.160 4.470 -0.000 0.000 0.273 187 S C 0.725 175.274 174.600 -0.085 0.000 1.339 187 S CA 0.706 58.870 58.200 -0.059 0.000 1.028 187 S CB 1.130 64.295 63.200 -0.060 0.000 0.906 187 S HN 0.909 nan 8.310 nan 0.000 0.528 188 G N 0.484 109.204 108.800 -0.133 0.000 2.441 188 G HA2 0.435 4.395 3.960 -0.000 0.000 0.225 188 G HA3 0.435 4.395 3.960 -0.000 0.000 0.225 188 G C -1.860 172.958 174.900 -0.136 0.000 1.200 188 G CA -0.410 44.623 45.100 -0.113 0.000 0.947 188 G HN 0.735 nan 8.290 nan 0.000 0.484 189 V N 0.106 119.951 119.914 -0.115 0.000 2.888 189 V HA 0.720 4.840 4.120 -0.000 0.000 0.309 189 V C -0.317 175.690 176.094 -0.146 0.000 1.114 189 V CA -0.591 61.625 62.300 -0.141 0.000 0.940 189 V CB 1.824 33.554 31.823 -0.154 0.000 1.021 189 V HN 0.961 nan 8.190 nan 0.000 0.426 190 S N 2.740 118.352 115.700 -0.148 0.000 2.429 190 S HA 0.687 5.157 4.470 -0.000 0.000 0.302 190 S C -0.716 173.769 174.600 -0.191 0.000 1.115 190 S CA -0.413 57.703 58.200 -0.141 0.000 1.095 190 S CB 1.002 64.135 63.200 -0.112 0.000 0.987 190 S HN 0.508 nan 8.310 nan 0.000 0.474 191 V N 5.910 125.681 119.914 -0.238 0.000 2.427 191 V HA 0.342 4.462 4.120 -0.000 0.000 0.286 191 V C 0.086 176.015 176.094 -0.275 0.000 1.034 191 V CA -0.798 61.288 62.300 -0.357 0.000 0.893 191 V CB 1.229 32.752 31.823 -0.500 0.000 0.982 191 V HN 0.954 nan 8.190 nan 0.000 0.452 192 H N 5.604 124.421 119.070 -0.421 0.000 2.705 192 H HA 0.483 5.039 4.556 -0.000 0.000 0.291 192 H C -1.056 174.044 175.328 -0.380 0.000 1.085 192 H CA -0.883 54.959 56.048 -0.343 0.000 1.357 192 H CB 0.627 30.229 29.762 -0.265 0.000 1.419 192 H HN 0.376 nan 8.280 nan 0.000 0.462 193 L N 4.327 125.423 121.223 -0.210 0.000 2.331 193 L HA 0.391 4.731 4.340 -0.000 0.000 0.275 193 L C 0.406 177.133 176.870 -0.238 0.000 1.022 193 L CA -0.333 54.287 54.840 -0.366 0.000 0.812 193 L CB 1.711 43.278 42.059 -0.821 0.000 1.257 193 L HN 0.667 nan 8.230 nan 0.000 0.435 194 T N 1.040 115.541 114.554 -0.089 0.000 2.900 194 T HA 0.414 4.764 4.350 -0.000 0.000 0.303 194 T C 0.684 175.486 174.700 0.171 0.000 1.142 194 T CA -0.448 61.671 62.100 0.031 0.000 1.007 194 T CB 1.644 70.508 68.868 -0.007 0.000 1.156 194 T HN 0.667 nan 8.240 nan 0.000 0.490 195 R N 1.287 121.892 120.500 0.175 0.000 2.210 195 R HA 0.245 4.585 4.340 -0.000 0.000 0.203 195 R C 0.392 176.836 176.300 0.239 0.000 1.010 195 R CA 0.172 56.406 56.100 0.224 0.000 1.008 195 R CB 0.236 30.630 30.300 0.156 0.000 0.923 195 R HN 0.414 nan 8.270 nan 0.000 0.469 196 V N 4.209 124.187 119.914 0.106 0.000 2.458 196 V HA 0.041 4.161 4.120 -0.000 0.000 0.287 196 V C -2.132 173.801 176.094 -0.269 0.000 1.009 196 V CA -1.123 61.155 62.300 -0.037 0.000 1.091 196 V CB 0.443 32.221 31.823 -0.075 0.000 0.960 196 V HN 0.019 nan 8.190 nan 0.000 0.476 197 P HA 0.069 nan 4.420 nan 0.000 0.264 197 P C -0.304 176.529 177.300 -0.779 0.000 1.193 197 P CA 0.104 62.680 63.100 -0.875 0.000 0.763 197 P CB 0.366 31.870 31.700 -0.328 0.000 0.810 198 Q N 4.951 124.119 119.800 -1.054 0.000 2.230 198 Q HA 0.191 4.531 4.340 -0.000 0.000 0.248 198 Q C -1.347 174.437 176.000 -0.361 0.000 0.915 198 Q CA -1.883 53.589 55.803 -0.552 0.000 0.900 198 Q CB 0.383 28.855 28.738 -0.444 0.000 1.229 198 Q HN 0.369 nan 8.270 nan 0.000 0.439 199 P HA -0.005 nan 4.420 nan 0.000 0.222 199 P C -0.042 177.165 177.300 -0.156 0.000 1.153 199 P CA 0.900 63.882 63.100 -0.196 0.000 0.798 199 P CB 0.652 32.242 31.700 -0.183 0.000 0.796 200 L N 0.271 121.395 121.223 -0.165 0.000 2.365 200 L HA 0.461 4.801 4.340 -0.000 0.000 0.273 200 L C -0.046 176.807 176.870 -0.029 0.000 1.000 200 L CA -1.066 53.719 54.840 -0.091 0.000 0.819 200 L CB 2.349 44.253 42.059 -0.259 0.000 1.284 200 L HN -0.248 nan 8.230 nan 0.000 0.418 201 I N 2.238 122.866 120.570 0.096 0.000 2.404 201 I HA 0.485 4.655 4.170 -0.000 0.000 0.293 201 I C 0.432 176.619 176.117 0.117 0.000 0.992 201 I CA -0.407 60.961 61.300 0.113 0.000 1.149 201 I CB 1.837 39.939 38.000 0.171 0.000 1.315 201 I HN 0.637 nan 8.210 nan 0.000 0.446 202 A N 4.617 127.374 122.820 -0.106 0.000 2.340 202 A HA 0.813 5.133 4.320 -0.000 0.000 0.268 202 A C 0.368 177.725 177.584 -0.378 0.000 1.100 202 A CA -0.020 51.795 52.037 -0.371 0.000 0.803 202 A CB 0.780 19.081 19.000 -1.164 0.000 1.043 202 A HN 0.942 nan 8.150 nan 0.000 0.488 203 G N -0.486 107.942 108.800 -0.621 0.000 2.721 203 G HA2 0.596 4.556 3.960 -0.000 0.000 0.296 203 G HA3 0.596 4.556 3.960 -0.000 0.000 0.296 203 G C -1.367 173.038 174.900 -0.825 0.000 1.383 203 G CA -0.548 44.193 45.100 -0.599 0.000 0.788 203 G HN 0.885 nan 8.290 nan 0.000 0.500 204 M N 0.163 119.645 119.600 -0.196 0.000 2.326 204 M HA 0.648 5.128 4.480 -0.000 0.000 0.292 204 M C -2.322 174.287 176.300 0.515 0.000 1.081 204 M CA -0.948 54.456 55.300 0.173 0.000 0.919 204 M CB 2.064 34.871 32.600 0.344 0.000 1.634 204 M HN 0.506 nan 8.290 nan 0.000 0.451 205 Y N 5.451 126.040 120.300 0.482 0.000 2.402 205 Y HA 0.658 5.208 4.550 0.000 0.000 0.332 205 Y C -1.898 174.164 175.900 0.270 0.000 0.960 205 Y CA -1.161 57.187 58.100 0.414 0.000 1.228 205 Y CB 1.027 39.715 38.460 0.379 0.000 1.120 205 Y HN 0.731 nan 8.280 nan 0.000 0.491 206 L N 7.015 128.367 121.223 0.214 0.000 2.264 206 L HA 0.550 4.890 4.340 -0.000 0.000 0.289 206 L C -1.163 175.778 176.870 0.118 0.000 1.044 206 L CA -0.387 54.523 54.840 0.118 0.000 0.807 206 L CB 0.713 42.788 42.059 0.027 0.000 1.192 206 L HN 0.629 nan 8.230 nan 0.000 0.425 207 M N 7.957 127.641 119.600 0.139 0.000 2.149 207 M HA 0.534 5.014 4.480 -0.000 0.000 0.342 207 M C -0.636 175.688 176.300 0.039 0.000 1.068 207 M CA -0.314 55.078 55.300 0.155 0.000 0.991 207 M CB 1.468 34.186 32.600 0.196 0.000 1.596 207 M HN 0.739 nan 8.290 nan 0.000 0.439 208 M N 0.746 120.373 119.600 0.046 0.000 2.371 208 M HA 0.598 5.078 4.480 -0.000 0.000 0.287 208 M C -1.309 175.019 176.300 0.048 0.000 1.149 208 M CA -0.665 54.652 55.300 0.029 0.000 0.929 208 M CB 2.109 34.711 32.600 0.004 0.000 1.683 208 M HN 0.349 nan 8.290 nan 0.000 0.470 209 S N 1.488 117.221 115.700 0.055 0.000 2.592 209 S HA 0.486 4.956 4.470 -0.000 0.000 0.271 209 S C 0.945 175.565 174.600 0.034 0.000 1.326 209 S CA -0.450 57.780 58.200 0.050 0.000 1.024 209 S CB 1.581 64.823 63.200 0.071 0.000 0.921 209 S HN 0.787 nan 8.310 nan 0.000 0.527 210 V N -1.289 118.640 119.914 0.024 0.000 3.350 210 V HA 0.173 4.293 4.120 -0.000 0.000 0.246 210 V C 1.057 177.157 176.094 0.010 0.000 1.363 210 V CA 0.475 62.786 62.300 0.018 0.000 1.162 210 V CB -0.459 31.374 31.823 0.016 0.000 0.947 210 V HN 0.780 nan 8.190 nan 0.000 0.454 211 D N 0.918 121.320 120.400 0.004 0.000 2.360 211 D HA 0.056 4.696 4.640 -0.000 0.000 0.210 211 D C 0.768 177.061 176.300 -0.012 0.000 1.047 211 D CA 0.527 54.523 54.000 -0.006 0.000 0.854 211 D CB -0.681 40.114 40.800 -0.008 0.000 0.936 211 D HN 0.425 nan 8.370 nan 0.000 0.514 212 T N 0.423 114.967 114.554 -0.016 0.000 2.933 212 T HA 0.258 4.608 4.350 -0.000 0.000 0.306 212 T C 0.090 174.755 174.700 -0.058 0.000 1.045 212 T CA -0.095 61.979 62.100 -0.043 0.000 1.143 212 T CB 1.349 70.172 68.868 -0.074 0.000 1.003 212 T HN -0.049 nan 8.240 nan 0.000 0.540 213 V N 4.630 124.510 119.914 -0.056 0.000 2.525 213 V HA 0.400 4.520 4.120 -0.000 0.000 0.299 213 V C -0.181 175.874 176.094 -0.066 0.000 1.034 213 V CA -0.760 61.513 62.300 -0.044 0.000 0.863 213 V CB 1.693 33.506 31.823 -0.017 0.000 0.999 213 V HN 0.790 nan 8.190 nan 0.000 0.423 214 I N 6.946 127.458 120.570 -0.096 0.000 2.337 214 I HA 0.357 4.527 4.170 -0.000 0.000 0.285 214 I C -2.460 173.628 176.117 -0.047 0.000 1.041 214 I CA -1.871 59.375 61.300 -0.090 0.000 1.199 214 I CB 1.828 39.722 38.000 -0.176 0.000 1.370 214 I HN 0.392 nan 8.210 nan 0.000 0.470 215 P HA 0.085 nan 4.420 nan 0.000 0.268 215 P C -2.331 174.963 177.300 -0.009 0.000 1.205 215 P CA -0.972 62.121 63.100 -0.012 0.000 0.771 215 P CB -0.112 31.584 31.700 -0.006 0.000 0.858 216 P HA -0.094 nan 4.420 nan 0.000 0.262 216 P C 0.942 178.242 177.300 0.001 0.000 1.182 216 P CA 1.130 64.228 63.100 -0.003 0.000 0.761 216 P CB 0.174 31.873 31.700 -0.002 0.000 0.795 217 G N 2.008 110.811 108.800 0.004 0.000 2.220 217 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.269 217 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.269 217 G C 0.300 175.206 174.900 0.010 0.000 0.977 217 G CA 0.586 45.691 45.100 0.007 0.000 0.634 217 G HN 0.690 nan 8.290 nan 0.000 0.539 218 E N 0.826 121.032 120.200 0.010 0.000 2.529 218 E HA 0.279 4.629 4.350 -0.000 0.000 0.259 218 E C 1.543 178.157 176.600 0.023 0.000 0.966 218 E CA 0.749 57.157 56.400 0.014 0.000 0.937 218 E CB 0.533 30.241 29.700 0.013 0.000 0.923 218 E HN 0.419 nan 8.360 nan 0.000 0.468 219 K N 2.766 123.178 120.400 0.020 0.000 1.985 219 K HA -0.038 4.282 4.320 -0.000 0.000 0.210 219 K C -0.261 176.358 176.600 0.032 0.000 1.047 219 K CA 1.255 57.555 56.287 0.022 0.000 0.932 219 K CB 0.289 32.797 32.500 0.014 0.000 0.716 219 K HN 0.384 nan 8.250 nan 0.000 0.439 220 V N 1.300 121.233 119.914 0.032 0.000 2.709 220 V HA 0.359 4.479 4.120 -0.000 0.000 0.308 220 V C -1.176 174.950 176.094 0.053 0.000 1.062 220 V CA -0.932 61.393 62.300 0.041 0.000 0.901 220 V CB 2.018 33.854 31.823 0.021 0.000 1.003 220 V HN -0.045 nan 8.190 nan 0.000 0.425 221 V N 4.062 124.033 119.914 0.094 0.000 2.569 221 V HA 0.441 4.561 4.120 -0.000 0.000 0.301 221 V C -0.419 175.766 176.094 0.151 0.000 1.044 221 V CA -0.808 61.558 62.300 0.110 0.000 0.874 221 V CB 1.992 33.887 31.823 0.119 0.000 1.002 221 V HN 0.959 nan 8.190 nan 0.000 0.424 222 N N 2.337 121.084 118.700 0.078 0.000 2.443 222 N HA 0.769 5.509 4.740 -0.000 0.000 0.295 222 N C -0.430 175.113 175.510 0.055 0.000 1.076 222 N CA -0.453 52.622 53.050 0.041 0.000 0.919 222 N CB 1.980 40.453 38.487 -0.024 0.000 1.176 222 N HN 0.846 nan 8.380 nan 0.000 0.487 223 A N 1.774 124.632 122.820 0.063 0.000 2.310 223 A HA 0.375 4.695 4.320 -0.000 0.000 0.304 223 A C -1.331 176.221 177.584 -0.053 0.000 1.231 223 A CA -0.807 51.269 52.037 0.066 0.000 0.799 223 A CB 0.518 19.675 19.000 0.262 0.000 1.162 223 A HN 0.558 nan 8.150 nan 0.000 0.486 224 D N 1.629 121.913 120.400 -0.195 0.000 2.185 224 D HA 0.684 5.324 4.640 -0.000 0.000 0.247 224 D C -0.427 175.763 176.300 -0.183 0.000 1.027 224 D CA 0.204 53.949 54.000 -0.424 0.000 0.861 224 D CB 1.817 41.899 40.800 -1.197 0.000 1.202 224 D HN 0.445 nan 8.370 nan 0.000 0.453 225 I N 0.662 121.261 120.570 0.048 0.000 2.619 225 I HA 0.414 4.584 4.170 -0.000 0.000 0.292 225 I C -0.629 175.689 176.117 0.336 0.000 1.100 225 I CA -0.709 60.688 61.300 0.162 0.000 1.043 225 I CB 2.118 40.210 38.000 0.152 0.000 1.239 225 I HN 0.329 nan 8.210 nan 0.000 0.420 226 S N 3.820 119.676 115.700 0.259 0.000 2.562 226 S HA 0.746 5.216 4.470 -0.000 0.000 0.274 226 S C -1.253 173.437 174.600 0.149 0.000 1.160 226 S CA -0.664 57.677 58.200 0.234 0.000 0.933 226 S CB 1.488 64.877 63.200 0.315 0.000 1.100 226 S HN 0.677 nan 8.310 nan 0.000 0.468 227 c N 1.844 120.514 118.600 0.117 0.000 2.994 227 c HA 0.680 5.250 4.570 -0.000 0.000 0.305 227 c C -0.462 173.662 174.090 0.057 0.000 1.251 227 c CA -0.579 55.813 56.329 0.106 0.000 1.478 227 c CB 2.055 44.677 42.510 0.186 0.000 1.922 227 c HN 1.044 nan 8.230 nan 0.000 0.472 228 Q N 0.695 120.510 119.800 0.025 0.000 2.235 228 Q HA 0.419 4.759 4.340 -0.000 0.000 0.250 228 Q C -1.514 174.475 176.000 -0.017 0.000 0.909 228 Q CA -0.277 55.517 55.803 -0.014 0.000 0.910 228 Q CB 0.919 29.633 28.738 -0.041 0.000 1.223 228 Q HN 0.734 nan 8.270 nan 0.000 0.432 229 Y N 3.143 123.341 120.300 -0.170 0.000 2.336 229 Y HA 0.215 4.765 4.550 0.000 0.000 0.335 229 Y C -0.420 175.198 175.900 -0.469 0.000 1.046 229 Y CA 0.348 58.320 58.100 -0.213 0.000 1.198 229 Y CB 0.781 39.116 38.460 -0.208 0.000 1.182 229 Y HN 0.596 nan 8.280 nan 0.000 0.502 230 K N 6.742 126.543 120.400 -0.997 0.000 2.972 230 K HA 0.250 4.570 4.320 -0.000 0.000 0.209 230 K C -0.981 174.926 176.600 -1.155 0.000 1.128 230 K CA -0.171 55.222 56.287 -1.490 0.000 1.024 230 K CB 0.413 32.307 32.500 -1.010 0.000 0.754 230 K HN 0.599 nan 8.250 nan 0.000 0.454 231 M N -0.407 118.591 119.600 -1.004 0.000 2.788 231 M HA 0.353 4.833 4.480 -0.000 0.000 0.291 231 M C 0.053 176.347 176.300 -0.010 0.000 1.213 231 M CA -1.006 54.040 55.300 -0.423 0.000 0.768 231 M CB 0.299 32.626 32.600 -0.456 0.000 1.766 231 M HN -0.060 nan 8.290 nan 0.000 0.460 232 Y N 1.586 121.930 120.300 0.073 0.000 2.459 232 Y HA 0.103 4.653 4.550 -0.000 0.000 0.349 232 Y C -1.528 174.492 175.900 0.199 0.000 1.266 232 Y CA -0.444 57.702 58.100 0.078 0.000 1.483 232 Y CB -0.428 38.006 38.460 -0.044 0.000 1.362 232 Y HN 0.287 nan 8.280 nan 0.000 0.628 233 P HA 0.041 nan 4.420 nan 0.000 0.271 233 P C -0.897 176.447 177.300 0.073 0.000 1.218 233 P CA 0.056 63.236 63.100 0.133 0.000 0.780 233 P CB 0.552 32.287 31.700 0.060 0.000 0.901 234 M N 1.387 120.872 119.600 -0.190 0.000 2.602 234 M HA 0.553 5.033 4.480 -0.000 0.000 0.312 234 M C -1.228 174.837 176.300 -0.390 0.000 1.181 234 M CA -0.622 54.543 55.300 -0.225 0.000 0.910 234 M CB 2.139 34.442 32.600 -0.495 0.000 1.723 234 M HN 0.172 nan 8.290 nan 0.000 0.459 235 H N 1.127 120.010 119.070 -0.313 0.000 2.587 235 H HA 0.534 5.090 4.556 -0.000 0.000 0.325 235 H C -0.958 174.265 175.328 -0.175 0.000 1.012 235 H CA -0.399 55.424 56.048 -0.374 0.000 1.213 235 H CB 1.699 30.994 29.762 -0.779 0.000 1.431 235 H HN 0.563 nan 8.280 nan 0.000 0.492 236 V N 5.596 125.516 119.914 0.010 0.000 2.508 236 V HA -0.033 4.087 4.120 -0.000 0.000 0.281 236 V C 0.525 176.735 176.094 0.194 0.000 1.041 236 V CA 0.353 62.699 62.300 0.077 0.000 1.016 236 V CB -0.296 31.544 31.823 0.028 0.000 0.984 236 V HN 0.849 nan 8.190 nan 0.000 0.478 237 F N 1.909 121.961 119.950 0.169 0.000 2.767 237 F HA 0.872 5.399 4.527 -0.000 0.000 0.323 237 F C 0.378 176.295 175.800 0.195 0.000 1.091 237 F CA -0.031 58.081 58.000 0.186 0.000 1.192 237 F CB 0.136 39.271 39.000 0.224 0.000 1.056 237 F HN 0.503 nan 8.300 nan 0.000 0.571 238 A N 0.531 123.294 122.820 -0.095 0.000 2.610 238 A HA 0.730 5.050 4.320 -0.000 0.000 0.291 238 A C -2.016 175.718 177.584 0.251 0.000 1.086 238 A CA -0.525 51.560 52.037 0.079 0.000 0.677 238 A CB 1.102 20.090 19.000 -0.020 0.000 1.278 238 A HN 0.659 nan 8.150 nan 0.000 0.414 239 Y N -1.006 119.479 120.300 0.307 0.000 2.609 239 Y HA 0.869 5.419 4.550 -0.000 0.000 0.336 239 Y C -0.933 175.079 175.900 0.187 0.000 1.129 239 Y CA -0.927 57.361 58.100 0.314 0.000 1.040 239 Y CB 1.252 39.809 38.460 0.161 0.000 1.310 239 Y HN 0.949 nan 8.280 nan 0.000 0.460 240 R N 2.450 122.969 120.500 0.032 0.000 2.604 240 R HA 0.759 5.099 4.340 -0.000 0.000 0.281 240 R C -1.833 174.571 176.300 0.172 0.000 1.020 240 R CA -0.932 54.995 56.100 -0.289 0.000 0.899 240 R CB 2.418 31.997 30.300 -1.201 0.000 1.205 240 R HN 1.052 nan 8.270 nan 0.000 0.450 241 V N 0.642 120.661 119.914 0.174 0.000 2.769 241 V HA 0.686 4.806 4.120 -0.000 0.000 0.312 241 V C -1.257 174.974 176.094 0.228 0.000 1.058 241 V CA -0.568 61.864 62.300 0.219 0.000 0.952 241 V CB 1.597 33.523 31.823 0.173 0.000 1.019 241 V HN 0.980 nan 8.190 nan 0.000 0.445 242 H N 1.010 120.164 119.070 0.141 0.000 2.966 242 H HA 0.774 5.330 4.556 -0.000 0.000 0.347 242 H C -0.830 174.567 175.328 0.115 0.000 1.048 242 H CA 0.319 56.451 56.048 0.140 0.000 1.295 242 H CB 2.094 31.999 29.762 0.239 0.000 1.744 242 H HN 1.067 nan 8.280 nan 0.000 0.513 243 T N 3.095 117.345 114.554 -0.507 0.000 2.821 243 T HA 0.294 4.644 4.350 -0.000 0.000 0.306 243 T C -0.630 173.916 174.700 -0.256 0.000 1.313 243 T CA -0.662 61.249 62.100 -0.315 0.000 1.012 243 T CB 1.151 69.967 68.868 -0.086 0.000 1.298 243 T HN 0.741 nan 8.240 nan 0.000 0.502 244 H N -0.456 118.495 119.070 -0.198 0.000 3.188 244 H HA 0.342 4.898 4.556 -0.000 0.000 0.204 244 H C 0.915 176.186 175.328 -0.094 0.000 1.565 244 H CA -0.580 55.337 56.048 -0.217 0.000 1.695 244 H CB 0.463 30.109 29.762 -0.194 0.000 1.392 244 H HN 0.729 nan 8.280 nan 0.000 0.965 245 H N -0.237 118.929 119.070 0.160 0.000 2.489 245 H HA -0.069 4.487 4.556 -0.000 0.000 0.293 245 H C 1.731 177.121 175.328 0.103 0.000 1.066 245 H CA 0.652 56.758 56.048 0.097 0.000 1.305 245 H CB 0.103 29.902 29.762 0.061 0.000 1.386 245 H HN 0.252 nan 8.280 nan 0.000 0.551 246 L N -0.002 121.370 121.223 0.247 0.000 2.492 246 L HA 0.097 4.437 4.340 -0.000 0.000 0.223 246 L C 1.468 178.539 176.870 0.335 0.000 1.132 246 L CA -0.248 54.743 54.840 0.252 0.000 0.850 246 L CB -0.027 42.147 42.059 0.191 0.000 0.966 246 L HN 0.165 nan 8.230 nan 0.000 0.454 247 G N -0.036 108.941 108.800 0.295 0.000 2.378 247 G HA2 0.151 4.111 3.960 -0.000 0.000 0.255 247 G HA3 0.151 4.111 3.960 -0.000 0.000 0.255 247 G C 0.587 175.463 174.900 -0.039 0.000 1.270 247 G CA -0.282 44.815 45.100 -0.005 0.000 0.876 247 G HN -0.030 nan 8.290 nan 0.000 0.521 248 K N 0.802 121.131 120.400 -0.119 0.000 2.240 248 K HA 0.220 4.540 4.320 -0.000 0.000 0.202 248 K C 0.487 177.035 176.600 -0.086 0.000 1.053 248 K CA 0.276 56.523 56.287 -0.066 0.000 0.973 248 K CB 0.536 33.008 32.500 -0.046 0.000 0.924 248 K HN 0.411 nan 8.250 nan 0.000 0.477 249 V N 0.565 120.395 119.914 -0.140 0.000 3.120 249 V HA 0.499 4.619 4.120 -0.000 0.000 0.303 249 V C -1.909 174.098 176.094 -0.145 0.000 1.238 249 V CA -0.807 61.427 62.300 -0.110 0.000 1.008 249 V CB 2.438 34.218 31.823 -0.071 0.000 1.064 249 V HN -0.147 nan 8.190 nan 0.000 0.434 250 V N 4.476 124.333 119.914 -0.096 0.000 2.623 250 V HA 0.799 4.919 4.120 -0.000 0.000 0.304 250 V C -0.340 175.717 176.094 -0.062 0.000 1.054 250 V CA -0.260 61.992 62.300 -0.080 0.000 0.882 250 V CB 2.109 33.899 31.823 -0.055 0.000 1.002 250 V HN 0.996 nan 8.190 nan 0.000 0.424 251 S N 2.066 117.744 115.700 -0.037 0.000 2.541 251 S HA 0.880 5.350 4.470 -0.000 0.000 0.280 251 S C -0.021 174.532 174.600 -0.078 0.000 1.112 251 S CA -0.579 57.557 58.200 -0.107 0.000 0.925 251 S CB 2.154 65.363 63.200 0.015 0.000 1.067 251 S HN 1.149 nan 8.310 nan 0.000 0.479 252 G N 0.898 109.514 108.800 -0.308 0.000 2.524 252 G HA2 0.756 4.716 3.960 -0.000 0.000 0.310 252 G HA3 0.756 4.716 3.960 -0.000 0.000 0.310 252 G C -2.035 172.610 174.900 -0.424 0.000 1.279 252 G CA -0.482 44.512 45.100 -0.175 0.000 0.974 252 G HN 0.499 nan 8.290 nan 0.000 0.484 253 Y N -0.621 119.673 120.300 -0.011 0.000 2.597 253 Y HA 0.586 5.136 4.550 -0.000 0.000 0.340 253 Y C 0.142 175.945 175.900 -0.161 0.000 1.097 253 Y CA -1.047 57.037 58.100 -0.027 0.000 1.037 253 Y CB 2.390 40.945 38.460 0.159 0.000 1.305 253 Y HN 0.562 nan 8.280 nan 0.000 0.463 254 R N 1.674 122.165 120.500 -0.015 0.000 2.338 254 R HA 0.759 5.099 4.340 -0.000 0.000 0.317 254 R C -2.017 174.139 176.300 -0.240 0.000 0.968 254 R CA -0.557 55.441 56.100 -0.169 0.000 0.849 254 R CB 1.022 31.217 30.300 -0.175 0.000 1.128 254 R HN 0.557 nan 8.270 nan 0.000 0.448 255 V N 5.534 125.203 119.914 -0.409 0.000 2.378 255 V HA 0.469 4.589 4.120 -0.000 0.000 0.288 255 V C -0.163 175.712 176.094 -0.364 0.000 1.016 255 V CA -0.744 61.200 62.300 -0.593 0.000 0.840 255 V CB 1.314 32.517 31.823 -1.035 0.000 0.994 255 V HN 0.722 nan 8.190 nan 0.000 0.431 256 R N 4.255 124.597 120.500 -0.264 0.000 2.476 256 R HA 0.400 4.740 4.340 -0.000 0.000 0.305 256 R C -0.130 176.092 176.300 -0.130 0.000 0.965 256 R CA -0.501 55.499 56.100 -0.166 0.000 0.867 256 R CB 0.759 30.986 30.300 -0.122 0.000 1.176 256 R HN 0.787 nan 8.270 nan 0.000 0.447 257 N N 3.120 121.756 118.700 -0.106 0.000 2.714 257 N HA -0.219 4.521 4.740 -0.000 0.000 0.252 257 N C 0.629 176.097 175.510 -0.070 0.000 1.014 257 N CA 1.598 54.605 53.050 -0.071 0.000 0.735 257 N CB -1.061 37.399 38.487 -0.046 0.000 0.924 257 N HN 1.109 nan 8.380 nan 0.000 0.540 258 G N -0.842 107.890 108.800 -0.114 0.000 2.245 258 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.264 258 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.264 258 G C -0.024 174.854 174.900 -0.036 0.000 0.985 258 G CA 0.963 46.016 45.100 -0.078 0.000 0.625 258 G HN 0.718 nan 8.290 nan 0.000 0.536 259 Q N -0.395 119.368 119.800 -0.061 0.000 2.261 259 Q HA 0.502 4.842 4.340 -0.000 0.000 0.252 259 Q C -0.781 175.192 176.000 -0.045 0.000 0.915 259 Q CA -0.954 54.869 55.803 0.034 0.000 0.915 259 Q CB 0.434 29.184 28.738 0.019 0.000 1.204 259 Q HN 0.324 nan 8.270 nan 0.000 0.421 260 W N 2.520 123.766 121.300 -0.091 0.000 2.349 260 W HA 0.366 5.026 4.660 0.000 0.000 0.309 260 W C -0.601 175.947 176.519 0.049 0.000 1.083 260 W CA -0.453 56.843 57.345 -0.082 0.000 1.224 260 W CB 1.809 31.104 29.460 -0.275 0.000 1.256 260 W HN 0.398 nan 8.180 nan 0.000 0.461 261 T N 4.767 119.487 114.554 0.277 0.000 2.770 261 T HA 0.304 4.653 4.350 -0.000 0.000 0.283 261 T C -0.624 174.220 174.700 0.239 0.000 0.988 261 T CA -0.683 61.544 62.100 0.212 0.000 0.957 261 T CB 0.812 69.721 68.868 0.067 0.000 0.930 261 T HN 0.219 nan 8.240 nan 0.000 0.443 262 L N 4.649 125.971 121.223 0.166 0.000 2.499 262 L HA 0.289 4.629 4.340 -0.000 0.000 0.273 262 L C 0.664 177.412 176.870 -0.203 0.000 1.195 262 L CA 0.637 55.366 54.840 -0.184 0.000 0.882 262 L CB -0.047 41.941 42.059 -0.120 0.000 1.133 262 L HN 0.743 nan 8.230 nan 0.000 0.483 263 I N 3.060 123.413 120.570 -0.362 0.000 2.947 263 I HA 0.334 4.504 4.170 -0.000 0.000 0.263 263 I C 0.986 176.841 176.117 -0.437 0.000 1.130 263 I CA 0.578 61.717 61.300 -0.269 0.000 1.448 263 I CB 0.152 38.011 38.000 -0.234 0.000 1.222 263 I HN 0.752 nan 8.210 nan 0.000 0.453 264 G N 0.703 109.078 108.800 -0.710 0.000 2.702 264 G HA2 0.580 4.540 3.960 -0.000 0.000 0.296 264 G HA3 0.580 4.540 3.960 -0.000 0.000 0.296 264 G C -1.625 172.793 174.900 -0.803 0.000 1.463 264 G CA -0.542 43.839 45.100 -1.199 0.000 0.890 264 G HN 0.016 nan 8.290 nan 0.000 0.534 265 R N 0.517 120.701 120.500 -0.527 0.000 2.564 265 R HA 0.701 5.041 4.340 -0.000 0.000 0.284 265 R C -1.508 174.725 176.300 -0.112 0.000 1.031 265 R CA -0.666 55.279 56.100 -0.258 0.000 0.904 265 R CB 2.209 32.395 30.300 -0.189 0.000 1.199 265 R HN 0.630 nan 8.270 nan 0.000 0.443 266 Q N 2.197 121.968 119.800 -0.048 0.000 2.527 266 Q HA 0.257 4.597 4.340 -0.000 0.000 0.280 266 Q C -1.953 174.029 176.000 -0.031 0.000 0.977 266 Q CA -0.820 54.969 55.803 -0.022 0.000 0.837 266 Q CB 1.652 30.440 28.738 0.083 0.000 1.454 266 Q HN 0.589 nan 8.270 nan 0.000 0.387 267 N N 3.301 121.974 118.700 -0.046 0.000 2.406 267 N HA 0.287 5.027 4.740 -0.000 0.000 0.251 267 N C -1.892 173.614 175.510 -0.007 0.000 1.069 267 N CA -1.856 51.175 53.050 -0.032 0.000 0.947 267 N CB 1.180 39.649 38.487 -0.031 0.000 1.111 267 N HN 0.455 nan 8.380 nan 0.000 0.497 268 P HA -0.124 nan 4.420 nan 0.000 0.228 268 P C 0.332 177.659 177.300 0.044 0.000 1.151 268 P CA 0.974 64.085 63.100 0.019 0.000 0.770 268 P CB 0.529 32.219 31.700 -0.018 0.000 0.786 269 Q N -1.005 118.824 119.800 0.048 0.000 2.389 269 Q HA 0.084 4.424 4.340 -0.000 0.000 0.204 269 Q C 0.917 176.961 176.000 0.073 0.000 0.944 269 Q CA 0.232 56.084 55.803 0.081 0.000 0.908 269 Q CB -0.429 28.356 28.738 0.078 0.000 1.002 269 Q HN 0.285 nan 8.270 nan 0.000 0.493 270 L N 1.533 122.784 121.223 0.048 0.000 2.453 270 L HA 0.254 4.594 4.340 -0.000 0.000 0.261 270 L C -2.015 174.895 176.870 0.067 0.000 1.179 270 L CA -2.171 52.696 54.840 0.045 0.000 0.813 270 L CB -0.479 41.585 42.059 0.007 0.000 1.110 270 L HN -0.107 nan 8.230 nan 0.000 0.466 271 P HA -0.043 nan 4.420 nan 0.000 0.260 271 P C -0.994 176.304 177.300 -0.004 0.000 1.172 271 P CA 0.336 63.426 63.100 -0.016 0.000 0.760 271 P CB 0.074 31.720 31.700 -0.091 0.000 0.773 272 Q N 1.978 121.718 119.800 -0.101 0.000 3.181 272 Q HA 0.393 4.733 4.340 -0.000 0.000 0.293 272 Q C 0.292 176.070 176.000 -0.370 0.000 1.406 272 Q CA -0.416 55.299 55.803 -0.147 0.000 1.026 272 Q CB 0.172 28.846 28.738 -0.106 0.000 1.630 272 Q HN 0.475 nan 8.270 nan 0.000 0.553 273 A N 0.639 123.155 122.820 -0.507 0.000 2.248 273 A HA 0.602 4.922 4.320 -0.000 0.000 0.316 273 A C -0.806 176.266 177.584 -0.853 0.000 1.101 273 A CA -0.539 51.053 52.037 -0.742 0.000 0.875 273 A CB 0.583 19.017 19.000 -0.944 0.000 1.207 273 A HN 0.453 nan 8.150 nan 0.000 0.504 274 F N 0.755 120.340 119.950 -0.607 0.000 2.413 274 F HA 0.414 4.941 4.527 -0.000 0.000 0.359 274 F C -0.519 174.935 175.800 -0.577 0.000 1.122 274 F CA 0.588 58.308 58.000 -0.467 0.000 1.160 274 F CB 0.338 39.160 39.000 -0.296 0.000 1.146 274 F HN 0.366 nan 8.300 nan 0.000 0.514 275 Y N 4.883 124.952 120.300 -0.386 0.000 2.352 275 Y HA 0.361 4.911 4.550 0.000 0.000 0.326 275 Y C -1.889 173.893 175.900 -0.197 0.000 1.166 275 Y CA -2.638 55.260 58.100 -0.336 0.000 1.182 275 Y CB 0.529 38.697 38.460 -0.487 0.000 1.216 275 Y HN 0.388 nan 8.280 nan 0.000 0.474 276 P HA 0.061 nan 4.420 nan 0.000 0.274 276 P C -0.685 176.767 177.300 0.253 0.000 1.231 276 P CA -0.106 63.113 63.100 0.199 0.000 0.790 276 P CB 1.353 33.154 31.700 0.168 0.000 0.951 277 V N 3.323 123.398 119.914 0.268 0.000 2.583 277 V HA -0.026 4.094 4.120 -0.000 0.000 0.287 277 V C 1.864 178.002 176.094 0.074 0.000 1.051 277 V CA 0.113 62.552 62.300 0.232 0.000 1.010 277 V CB 0.469 32.420 31.823 0.214 0.000 0.988 277 V HN 0.600 nan 8.190 nan 0.000 0.478 278 E N 3.292 123.458 120.200 -0.056 0.000 2.114 278 E HA -0.190 4.160 4.350 -0.000 0.000 0.199 278 E C 0.123 176.329 176.600 -0.658 0.000 1.008 278 E CA 1.685 57.854 56.400 -0.385 0.000 0.810 278 E CB -0.404 28.979 29.700 -0.529 0.000 0.739 278 E HN 0.908 nan 8.360 nan 0.000 0.456 279 H N -1.629 117.498 119.070 0.095 0.000 3.029 279 H HA 0.433 4.989 4.556 -0.000 0.000 0.358 279 H C -2.697 172.697 175.328 0.110 0.000 1.129 279 H CA -2.503 53.601 56.048 0.094 0.000 1.230 279 H CB 1.786 31.589 29.762 0.068 0.000 1.827 279 H HN -0.142 nan 8.280 nan 0.000 0.530 280 P HA -0.001 nan 4.420 nan 0.000 0.264 280 P C -0.727 176.682 177.300 0.181 0.000 1.193 280 P CA 0.007 63.244 63.100 0.229 0.000 0.763 280 P CB 0.615 32.473 31.700 0.263 0.000 0.810 281 V N 4.264 124.240 119.914 0.104 0.000 2.378 281 V HA 0.198 4.318 4.120 -0.000 0.000 0.288 281 V C 0.235 176.232 176.094 -0.162 0.000 1.016 281 V CA -0.704 61.593 62.300 -0.005 0.000 0.840 281 V CB 1.419 33.222 31.823 -0.033 0.000 0.994 281 V HN 0.595 nan 8.190 nan 0.000 0.431 282 D N 4.523 124.758 120.400 -0.275 0.000 2.313 282 D HA 0.402 5.042 4.640 -0.000 0.000 0.247 282 D C -0.678 175.363 176.300 -0.432 0.000 1.094 282 D CA -0.250 53.384 54.000 -0.610 0.000 0.925 282 D CB 2.481 42.884 40.800 -0.661 0.000 1.188 282 D HN 0.234 nan 8.370 nan 0.000 0.430 283 V N 1.309 120.899 119.914 -0.540 0.000 2.577 283 V HA 0.405 4.525 4.120 -0.000 0.000 0.303 283 V C -0.018 175.680 176.094 -0.661 0.000 1.042 283 V CA -0.532 61.400 62.300 -0.615 0.000 0.872 283 V CB 1.879 33.211 31.823 -0.819 0.000 0.998 283 V HN 0.779 nan 8.190 nan 0.000 0.423 284 T N 3.182 117.509 114.554 -0.378 0.000 2.916 284 T HA 0.533 4.883 4.350 -0.000 0.000 0.292 284 T C -0.534 174.271 174.700 0.173 0.000 1.064 284 T CA -0.542 61.517 62.100 -0.070 0.000 1.011 284 T CB 1.580 70.431 68.868 -0.028 0.000 1.152 284 T HN 0.345 nan 8.240 nan 0.000 0.510 285 F N 2.221 122.255 119.950 0.141 0.000 2.604 285 F HA 0.308 4.835 4.527 -0.000 0.000 0.393 285 F C 1.517 177.327 175.800 0.017 0.000 1.043 285 F CA 1.900 59.947 58.000 0.079 0.000 1.227 285 F CB -0.435 38.534 39.000 -0.052 0.000 1.016 285 F HN 0.886 nan 8.300 nan 0.000 0.556 286 G N 3.197 112.138 108.800 0.235 0.000 2.313 286 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.215 286 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.215 286 G C 0.160 175.075 174.900 0.024 0.000 1.023 286 G CA -0.072 45.115 45.100 0.145 0.000 0.626 286 G HN 0.587 nan 8.290 nan 0.000 0.503 287 D N 0.501 120.899 120.400 -0.003 0.000 2.363 287 D HA 0.553 5.193 4.640 -0.000 0.000 0.240 287 D C 0.718 176.959 176.300 -0.099 0.000 1.236 287 D CA 0.411 54.355 54.000 -0.094 0.000 0.927 287 D CB 0.828 41.528 40.800 -0.167 0.000 1.150 287 D HN 0.383 nan 8.370 nan 0.000 0.458 288 I N 0.778 121.242 120.570 -0.176 0.000 2.498 288 I HA 0.220 4.390 4.170 -0.000 0.000 0.290 288 I C -0.578 175.402 176.117 -0.228 0.000 1.032 288 I CA -0.721 60.475 61.300 -0.173 0.000 1.073 288 I CB 1.663 39.535 38.000 -0.213 0.000 1.251 288 I HN -0.017 nan 8.210 nan 0.000 0.426 289 L N 5.835 126.957 121.223 -0.167 0.000 2.289 289 L HA 0.751 5.091 4.340 -0.000 0.000 0.285 289 L C 0.007 176.834 176.870 -0.073 0.000 1.049 289 L CA -0.210 54.521 54.840 -0.182 0.000 0.804 289 L CB 1.463 43.343 42.059 -0.299 0.000 1.195 289 L HN 0.677 nan 8.230 nan 0.000 0.428 290 A N 3.110 125.906 122.820 -0.040 0.000 2.414 290 A HA 0.958 5.278 4.320 -0.000 0.000 0.306 290 A C -1.017 176.755 177.584 0.313 0.000 1.054 290 A CA -0.394 51.713 52.037 0.118 0.000 0.724 290 A CB 1.825 20.675 19.000 -0.250 0.000 1.267 290 A HN 0.738 nan 8.150 nan 0.000 0.418 291 A N 1.411 124.505 122.820 0.457 0.000 2.539 291 A HA 0.907 5.227 4.320 -0.000 0.000 0.296 291 A C -0.529 177.299 177.584 0.408 0.000 1.073 291 A CA -0.637 51.621 52.037 0.367 0.000 0.700 291 A CB 1.444 20.561 19.000 0.196 0.000 1.296 291 A HN 1.189 nan 8.150 nan 0.000 0.405 292 R N 0.976 121.651 120.500 0.292 0.000 2.564 292 R HA 0.618 4.958 4.340 -0.000 0.000 0.284 292 R C -1.875 174.438 176.300 0.021 0.000 1.031 292 R CA -0.269 55.930 56.100 0.165 0.000 0.904 292 R CB 1.436 31.873 30.300 0.228 0.000 1.199 292 R HN 0.770 nan 8.270 nan 0.000 0.443 293 c N 3.851 122.398 118.600 -0.088 0.000 2.351 293 c HA 0.571 5.141 4.570 -0.000 0.000 0.326 293 c C -0.274 173.571 174.090 -0.410 0.000 1.272 293 c CA -0.636 55.502 56.329 -0.319 0.000 1.650 293 c CB 1.349 43.555 42.510 -0.506 0.000 2.257 293 c HN 0.541 nan 8.230 nan 0.000 0.505 294 V N 4.155 123.809 119.914 -0.432 0.000 2.370 294 V HA 0.547 4.667 4.120 -0.000 0.000 0.283 294 V C -0.457 175.396 176.094 -0.401 0.000 1.023 294 V CA -0.070 62.062 62.300 -0.279 0.000 0.857 294 V CB 0.803 32.547 31.823 -0.132 0.000 0.985 294 V HN 0.695 nan 8.190 nan 0.000 0.443 295 F N 1.677 121.618 119.950 -0.015 0.000 2.613 295 F HA 0.810 5.337 4.527 0.000 0.000 0.342 295 F C 0.589 176.382 175.800 -0.010 0.000 1.066 295 F CA -0.565 57.426 58.000 -0.016 0.000 1.002 295 F CB 2.328 41.312 39.000 -0.026 0.000 1.319 295 F HN 0.353 nan 8.300 nan 0.000 0.495 296 T N -0.770 113.926 114.554 0.237 0.000 2.896 296 T HA 0.500 4.850 4.350 -0.000 0.000 0.297 296 T C 0.360 175.115 174.700 0.091 0.000 1.108 296 T CA -0.470 61.702 62.100 0.119 0.000 1.004 296 T CB 1.763 70.680 68.868 0.082 0.000 1.159 296 T HN 0.780 nan 8.240 nan 0.000 0.499 297 G N 0.047 108.876 108.800 0.049 0.000 3.062 297 G HA2 0.187 4.147 3.960 -0.000 0.000 0.228 297 G HA3 0.187 4.147 3.960 -0.000 0.000 0.228 297 G C 0.112 175.024 174.900 0.020 0.000 1.094 297 G CA -0.299 44.814 45.100 0.021 0.000 0.782 297 G HN 0.688 nan 8.290 nan 0.000 0.541 298 E N 0.379 120.595 120.200 0.027 0.000 2.558 298 E HA 0.343 4.693 4.350 -0.000 0.000 0.255 298 E C 1.306 177.917 176.600 0.019 0.000 0.968 298 E CA 0.872 57.284 56.400 0.020 0.000 0.939 298 E CB 0.437 30.149 29.700 0.020 0.000 0.921 298 E HN 0.308 nan 8.360 nan 0.000 0.477 299 G N 3.357 112.165 108.800 0.012 0.000 2.254 299 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.225 299 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.225 299 G C 0.173 175.079 174.900 0.009 0.000 1.003 299 G CA -0.498 44.608 45.100 0.010 0.000 0.622 299 G HN 0.373 nan 8.290 nan 0.000 0.507 300 R N 0.368 120.874 120.500 0.009 0.000 2.428 300 R HA 0.653 4.993 4.340 -0.000 0.000 0.294 300 R C 0.752 177.053 176.300 0.002 0.000 1.000 300 R CA 0.167 56.269 56.100 0.004 0.000 0.960 300 R CB 1.243 31.542 30.300 -0.002 0.000 1.076 300 R HN 0.133 nan 8.270 nan 0.000 0.475 301 T N 0.635 115.190 114.554 0.001 0.000 3.037 301 T HA 0.118 4.468 4.350 -0.000 0.000 0.251 301 T C -0.046 174.654 174.700 0.001 0.000 1.079 301 T CA 0.755 62.856 62.100 0.001 0.000 1.067 301 T CB 0.440 69.309 68.868 0.002 0.000 0.948 301 T HN 0.476 nan 8.240 nan 0.000 0.496 302 E N 0.285 120.485 120.200 -0.000 0.000 2.378 302 E HA 0.687 5.037 4.350 -0.000 0.000 0.265 302 E C -0.889 175.709 176.600 -0.003 0.000 0.932 302 E CA -1.067 55.334 56.400 0.002 0.000 0.795 302 E CB 1.932 31.636 29.700 0.006 0.000 1.296 302 E HN 0.221 nan 8.360 nan 0.000 0.438 303 A N 0.827 123.649 122.820 0.004 0.000 2.445 303 A HA 0.334 4.653 4.320 -0.000 0.000 0.242 303 A C -0.198 177.380 177.584 -0.009 0.000 1.075 303 A CA 0.108 52.145 52.037 -0.000 0.000 0.777 303 A CB 0.161 19.170 19.000 0.015 0.000 1.013 303 A HN 0.436 nan 8.150 nan 0.000 0.493 304 T N 2.336 116.856 114.554 -0.056 0.000 2.779 304 T HA 0.594 4.944 4.350 -0.000 0.000 0.280 304 T C -0.282 174.336 174.700 -0.136 0.000 0.987 304 T CA -0.234 61.785 62.100 -0.135 0.000 0.966 304 T CB 0.779 69.540 68.868 -0.179 0.000 0.933 304 T HN 0.914 nan 8.240 nan 0.000 0.442 305 H N 0.788 119.782 119.070 -0.126 0.000 2.771 305 H HA 0.696 5.252 4.556 -0.000 0.000 0.344 305 H C -0.399 174.840 175.328 -0.148 0.000 1.260 305 H CA -1.459 54.510 56.048 -0.132 0.000 1.276 305 H CB 0.498 30.211 29.762 -0.083 0.000 1.881 305 H HN 0.274 nan 8.280 nan 0.000 0.615 306 I N 1.366 121.958 120.570 0.036 0.000 2.618 306 I HA 0.410 4.580 4.170 -0.000 0.000 0.284 306 I C 1.028 177.188 176.117 0.072 0.000 1.146 306 I CA 1.042 62.327 61.300 -0.025 0.000 1.425 306 I CB 0.082 38.086 38.000 0.006 0.000 1.383 306 I HN 0.952 nan 8.210 nan 0.000 0.562 307 G N 3.560 112.338 108.800 -0.036 0.000 2.495 307 G HA2 0.431 4.391 3.960 -0.000 0.000 0.294 307 G HA3 0.431 4.391 3.960 -0.000 0.000 0.294 307 G C 0.305 175.244 174.900 0.065 0.000 1.397 307 G CA -0.111 45.007 45.100 0.030 0.000 0.790 307 G HN 0.634 nan 8.290 nan 0.000 0.486 308 G N -1.055 107.794 108.800 0.082 0.000 2.683 308 G HA2 0.365 4.325 3.960 -0.000 0.000 0.213 308 G HA3 0.365 4.325 3.960 -0.000 0.000 0.213 308 G C 1.027 175.977 174.900 0.085 0.000 1.142 308 G CA 1.729 46.893 45.100 0.106 0.000 0.793 308 G HN 1.224 nan 8.290 nan 0.000 0.534 309 T N -1.893 112.689 114.554 0.047 0.000 2.881 309 T HA 0.388 4.738 4.350 -0.000 0.000 0.278 309 T C 1.914 176.585 174.700 -0.049 0.000 0.982 309 T CA 0.589 62.672 62.100 -0.029 0.000 0.989 309 T CB 1.594 70.444 68.868 -0.030 0.000 1.058 309 T HN 0.136 nan 8.240 nan 0.000 0.529 310 S N 0.609 116.227 115.700 -0.137 0.000 2.419 310 S HA -0.133 4.337 4.470 -0.000 0.000 0.233 310 S C 2.029 176.616 174.600 -0.021 0.000 1.016 310 S CA 1.105 59.206 58.200 -0.165 0.000 0.974 310 S CB -1.129 61.995 63.200 -0.128 0.000 0.786 310 S HN 0.933 nan 8.310 nan 0.000 0.492 311 S N 0.927 116.615 115.700 -0.019 0.000 2.522 311 S HA 0.119 4.589 4.470 -0.000 0.000 0.227 311 S C 0.227 174.781 174.600 -0.078 0.000 0.986 311 S CA -0.099 58.085 58.200 -0.027 0.000 0.929 311 S CB -0.281 62.899 63.200 -0.034 0.000 0.769 311 S HN 0.440 nan 8.310 nan 0.000 0.529 312 D N 1.159 121.523 120.400 -0.061 0.000 2.478 312 D HA 0.559 5.199 4.640 -0.000 0.000 0.263 312 D C 0.086 176.320 176.300 -0.109 0.000 1.153 312 D CA -0.308 53.579 54.000 -0.188 0.000 1.038 312 D CB 0.706 41.390 40.800 -0.193 0.000 1.120 312 D HN 0.033 nan 8.370 nan 0.000 0.564 313 E N -0.129 119.877 120.200 -0.323 0.000 2.378 313 E HA 0.584 4.934 4.350 -0.000 0.000 0.265 313 E C -0.662 175.621 176.600 -0.528 0.000 0.932 313 E CA -0.717 55.385 56.400 -0.497 0.000 0.795 313 E CB 2.317 31.658 29.700 -0.598 0.000 1.296 313 E HN 0.314 nan 8.360 nan 0.000 0.438 314 M N 0.541 119.837 119.600 -0.506 0.000 2.470 314 M HA 0.312 4.792 4.480 -0.000 0.000 0.285 314 M C -1.279 175.048 176.300 0.044 0.000 1.213 314 M CA -0.698 54.465 55.300 -0.227 0.000 0.901 314 M CB 2.571 35.044 32.600 -0.211 0.000 1.718 314 M HN 0.530 nan 8.290 nan 0.000 0.469 315 c N 3.420 122.095 118.600 0.126 0.000 2.437 315 c HA 0.588 5.158 4.570 -0.000 0.000 0.307 315 c C -1.258 172.879 174.090 0.079 0.000 1.093 315 c CA -0.365 56.061 56.329 0.161 0.000 1.463 315 c CB -0.803 41.853 42.510 0.243 0.000 1.926 315 c HN 0.939 nan 8.230 nan 0.000 0.420 316 N N 3.756 122.500 118.700 0.073 0.000 2.258 316 N HA 0.682 5.422 4.740 -0.000 0.000 0.299 316 N C -1.540 173.954 175.510 -0.026 0.000 1.047 316 N CA -0.629 52.415 53.050 -0.010 0.000 0.814 316 N CB 2.092 40.597 38.487 0.030 0.000 1.413 316 N HN 0.538 nan 8.380 nan 0.000 0.478 317 L N 3.023 124.180 121.223 -0.111 0.000 2.372 317 L HA 0.462 4.802 4.340 -0.000 0.000 0.274 317 L C -1.809 175.037 176.870 -0.040 0.000 0.988 317 L CA -0.600 54.253 54.840 0.021 0.000 0.833 317 L CB 0.554 42.658 42.059 0.075 0.000 1.236 317 L HN 0.455 nan 8.230 nan 0.000 0.410 318 Y N 5.857 126.295 120.300 0.231 0.000 2.367 318 Y HA 0.542 5.092 4.550 -0.000 0.000 0.342 318 Y C 0.025 176.164 175.900 0.399 0.000 0.979 318 Y CA -0.408 57.885 58.100 0.322 0.000 1.161 318 Y CB 1.101 39.760 38.460 0.332 0.000 1.155 318 Y HN 0.412 nan 8.280 nan 0.000 0.503 319 I N 5.152 126.008 120.570 0.477 0.000 2.328 319 I HA 0.289 4.459 4.170 -0.000 0.000 0.287 319 I C -0.312 175.997 176.117 0.319 0.000 1.012 319 I CA -0.420 61.109 61.300 0.382 0.000 1.195 319 I CB 0.985 39.161 38.000 0.293 0.000 1.350 319 I HN 0.564 nan 8.210 nan 0.000 0.464 320 M N 8.147 127.812 119.600 0.108 0.000 2.233 320 M HA 0.406 4.886 4.480 -0.000 0.000 0.355 320 M C -1.313 174.719 176.300 -0.447 0.000 1.191 320 M CA -0.228 54.905 55.300 -0.279 0.000 1.101 320 M CB 0.853 33.076 32.600 -0.629 0.000 1.592 320 M HN 0.546 nan 8.290 nan 0.000 0.461 321 Y N 3.120 123.284 120.300 -0.226 0.000 2.677 321 Y HA 0.758 5.308 4.550 -0.000 0.000 0.334 321 Y C -1.896 174.202 175.900 0.331 0.000 1.154 321 Y CA -1.622 56.467 58.100 -0.019 0.000 1.070 321 Y CB 0.650 39.133 38.460 0.039 0.000 1.294 321 Y HN 0.648 nan 8.280 nan 0.000 0.475 322 Y N 0.123 120.843 120.300 0.700 0.000 2.536 322 Y HA 0.907 5.457 4.550 -0.000 0.000 0.347 322 Y C -1.279 174.904 175.900 0.473 0.000 1.000 322 Y CA -2.552 55.837 58.100 0.482 0.000 1.051 322 Y CB 1.927 40.541 38.460 0.257 0.000 1.259 322 Y HN 0.763 nan 8.280 nan 0.000 0.468 323 M N 2.046 122.012 119.600 0.611 0.000 2.575 323 M HA 0.306 4.786 4.480 -0.000 0.000 0.284 323 M C -1.005 175.508 176.300 0.355 0.000 1.253 323 M CA -1.049 54.524 55.300 0.456 0.000 0.861 323 M CB 2.521 35.349 32.600 0.380 0.000 1.733 323 M HN 0.654 nan 8.290 nan 0.000 0.462 324 E N 0.714 121.083 120.200 0.281 0.000 2.413 324 E HA 0.072 4.422 4.350 -0.000 0.000 0.263 324 E C 0.636 177.231 176.600 -0.009 0.000 1.015 324 E CA 0.167 56.614 56.400 0.079 0.000 0.916 324 E CB 0.859 30.538 29.700 -0.035 0.000 0.947 324 E HN 0.816 nan 8.360 nan 0.000 0.440 325 A N 4.621 127.397 122.820 -0.073 0.000 1.892 325 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 325 A C 1.845 179.364 177.584 -0.107 0.000 1.188 325 A CA 2.329 54.329 52.037 -0.062 0.000 0.631 325 A CB -0.459 18.484 19.000 -0.096 0.000 0.822 325 A HN 0.681 nan 8.150 nan 0.000 0.447 326 K N -2.407 117.824 120.400 -0.281 0.000 2.442 326 K HA -0.087 4.233 4.320 -0.000 0.000 0.198 326 K C 0.850 177.283 176.600 -0.278 0.000 1.042 326 K CA 1.354 57.444 56.287 -0.329 0.000 0.958 326 K CB -0.250 31.983 32.500 -0.444 0.000 0.766 326 K HN 0.508 nan 8.250 nan 0.000 0.474 327 Y N 0.801 120.995 120.300 -0.177 0.000 2.430 327 Y HA 0.402 4.951 4.550 -0.000 0.000 0.248 327 Y C 0.935 176.823 175.900 -0.020 0.000 1.108 327 Y CA -1.314 56.608 58.100 -0.297 0.000 1.264 327 Y CB -0.077 38.074 38.460 -0.514 0.000 1.172 327 Y HN 0.069 nan 8.280 nan 0.000 0.520 328 A N 2.222 125.146 122.820 0.173 0.000 2.498 328 A HA 0.454 4.774 4.320 -0.000 0.000 0.239 328 A C -0.026 177.654 177.584 0.161 0.000 1.068 328 A CA -0.128 52.032 52.037 0.204 0.000 0.766 328 A CB -0.508 18.613 19.000 0.201 0.000 1.003 328 A HN 0.440 nan 8.150 nan 0.000 0.497 329 L N 0.293 121.621 121.223 0.174 0.000 2.381 329 L HA 0.651 4.991 4.340 -0.000 0.000 0.268 329 L C 0.392 177.309 176.870 0.077 0.000 0.997 329 L CA -0.683 54.186 54.840 0.047 0.000 0.818 329 L CB 2.080 44.142 42.059 0.005 0.000 1.310 329 L HN 0.435 nan 8.230 nan 0.000 0.416 330 S N 1.786 117.365 115.700 -0.202 0.000 2.461 330 S HA 0.262 4.732 4.470 -0.000 0.000 0.228 330 S C -0.247 174.361 174.600 0.012 0.000 1.005 330 S CA 0.642 58.767 58.200 -0.125 0.000 0.942 330 S CB -0.515 62.620 63.200 -0.109 0.000 0.776 330 S HN 0.624 nan 8.310 nan 0.000 0.514 331 F N -0.984 119.131 119.950 0.276 0.000 2.665 331 F HA 0.753 5.279 4.527 -0.000 0.000 0.308 331 F C -0.997 174.895 175.800 0.153 0.000 1.112 331 F CA -1.525 56.618 58.000 0.239 0.000 0.972 331 F CB 0.880 39.985 39.000 0.175 0.000 1.295 331 F HN -0.245 nan 8.300 nan 0.000 0.440 332 M N 1.358 121.116 119.600 0.263 0.000 2.520 332 M HA 0.708 5.188 4.480 -0.000 0.000 0.283 332 M C -1.388 174.724 176.300 -0.313 0.000 1.237 332 M CA -0.433 54.818 55.300 -0.082 0.000 0.885 332 M CB 3.284 35.717 32.600 -0.280 0.000 1.727 332 M HN 0.777 nan 8.290 nan 0.000 0.468 333 T N 0.432 114.789 114.554 -0.328 0.000 2.909 333 T HA 0.524 4.874 4.350 -0.000 0.000 0.299 333 T C -1.897 172.688 174.700 -0.193 0.000 1.073 333 T CA -0.612 61.341 62.100 -0.245 0.000 0.999 333 T CB 1.996 70.829 68.868 -0.058 0.000 1.098 333 T HN 0.818 nan 8.240 nan 0.000 0.477 334 c N 3.185 121.758 118.600 -0.045 0.000 2.381 334 c HA 0.668 5.238 4.570 -0.000 0.000 0.328 334 c C 1.178 175.318 174.090 0.084 0.000 1.190 334 c CA -0.283 56.099 56.329 0.087 0.000 1.369 334 c CB -0.494 42.184 42.510 0.280 0.000 2.029 334 c HN 1.081 nan 8.230 nan 0.000 0.448 335 T N 1.105 115.694 114.554 0.058 0.000 3.132 335 T HA 0.329 4.679 4.350 -0.000 0.000 0.274 335 T C 0.212 174.942 174.700 0.050 0.000 1.011 335 T CA -0.148 61.981 62.100 0.049 0.000 0.899 335 T CB -0.112 68.774 68.868 0.030 0.000 1.089 335 T HN 0.720 nan 8.240 nan 0.000 0.543 336 K N 1.240 121.679 120.400 0.064 0.000 2.303 336 K HA 0.590 4.910 4.320 -0.000 0.000 0.233 336 K C -0.827 175.820 176.600 0.078 0.000 1.046 336 K CA -1.033 55.290 56.287 0.059 0.000 0.895 336 K CB 0.784 33.316 32.500 0.054 0.000 1.220 336 K HN -0.069 nan 8.250 nan 0.000 0.470 337 N N 1.215 119.956 118.700 0.069 0.000 2.727 337 N HA 0.056 4.796 4.740 -0.000 0.000 0.252 337 N C 0.127 175.696 175.510 0.098 0.000 1.283 337 N CA -0.329 52.776 53.050 0.092 0.000 0.782 337 N CB 0.874 39.378 38.487 0.029 0.000 1.199 337 N HN 0.445 nan 8.380 nan 0.000 0.520 338 V N 0.036 120.014 119.914 0.106 0.000 2.667 338 V HA 0.333 4.453 4.120 -0.000 0.000 0.252 338 V C 0.947 177.096 176.094 0.091 0.000 1.065 338 V CA 1.479 63.827 62.300 0.080 0.000 1.083 338 V CB -0.480 31.378 31.823 0.057 0.000 0.692 338 V HN 0.485 nan 8.190 nan 0.000 0.468 339 A N 0.257 123.161 122.820 0.140 0.000 3.218 339 A HA 0.694 5.014 4.320 -0.000 0.000 0.321 339 A C -1.241 176.505 177.584 0.271 0.000 1.012 339 A CA -1.018 51.103 52.037 0.141 0.000 0.948 339 A CB 0.323 19.360 19.000 0.062 0.000 1.050 339 A HN 0.413 nan 8.150 nan 0.000 0.492 340 P HA -0.185 nan 4.420 nan 0.000 0.216 340 P C 0.716 178.191 177.300 0.292 0.000 1.153 340 P CA 1.342 64.584 63.100 0.237 0.000 0.858 340 P CB 0.289 32.049 31.700 0.100 0.000 0.789 341 D N -1.632 118.887 120.400 0.198 0.000 2.312 341 D HA -0.074 4.566 4.640 -0.000 0.000 0.211 341 D C 1.739 178.158 176.300 0.197 0.000 0.964 341 D CA 0.609 54.708 54.000 0.165 0.000 0.877 341 D CB -0.443 40.416 40.800 0.099 0.000 0.924 341 D HN 0.205 nan 8.370 nan 0.000 0.515 342 M N -0.283 119.450 119.600 0.222 0.000 2.202 342 M HA -0.186 4.294 4.480 -0.000 0.000 0.262 342 M C 1.222 177.686 176.300 0.274 0.000 1.063 342 M CA 1.233 56.645 55.300 0.187 0.000 1.097 342 M CB -0.136 32.485 32.600 0.035 0.000 1.382 342 M HN -0.144 nan 8.290 nan 0.000 0.413 343 F N 0.174 120.260 119.950 0.226 0.000 2.641 343 F HA -0.064 4.463 4.527 -0.000 0.000 0.298 343 F C 2.162 177.938 175.800 -0.041 0.000 1.146 343 F CA 0.910 58.982 58.000 0.121 0.000 1.464 343 F CB -0.494 38.560 39.000 0.091 0.000 1.101 343 F HN 0.130 nan 8.300 nan 0.000 0.585 344 R N -0.383 120.199 120.500 0.137 0.000 2.189 344 R HA -0.081 4.259 4.340 -0.000 0.000 0.223 344 R C 1.449 177.704 176.300 -0.076 0.000 1.092 344 R CA 1.644 57.764 56.100 0.032 0.000 0.989 344 R CB -0.589 29.739 30.300 0.045 0.000 0.876 344 R HN 0.291 nan 8.270 nan 0.000 0.457 345 T N -2.026 112.450 114.554 -0.129 0.000 3.176 345 T HA 0.265 4.615 4.350 -0.000 0.000 0.263 345 T C 0.614 174.743 174.700 -0.951 0.000 1.021 345 T CA -0.343 61.570 62.100 -0.311 0.000 0.905 345 T CB 0.005 68.842 68.868 -0.051 0.000 1.057 345 T HN 0.045 nan 8.240 nan 0.000 0.558 346 I N 2.987 122.923 120.570 -1.055 0.000 2.618 346 I HA 0.240 4.410 4.170 -0.000 0.000 0.284 346 I C -2.141 173.414 176.117 -0.936 0.000 1.146 346 I CA -2.477 57.877 61.300 -1.577 0.000 1.425 346 I CB 0.990 38.442 38.000 -0.912 0.000 1.383 346 I HN 0.018 nan 8.210 nan 0.000 0.562 347 P HA -0.050 nan 4.420 nan 0.000 0.264 347 P C 0.117 177.257 177.300 -0.266 0.000 1.179 347 P CA 0.153 62.979 63.100 -0.456 0.000 0.763 347 P CB 0.725 32.242 31.700 -0.305 0.000 0.806 348 A N 4.099 126.813 122.820 -0.176 0.000 1.986 348 A HA -0.255 4.065 4.320 -0.000 0.000 0.220 348 A C 1.901 179.446 177.584 -0.064 0.000 1.171 348 A CA 1.961 53.932 52.037 -0.110 0.000 0.640 348 A CB -1.058 17.892 19.000 -0.083 0.000 0.811 348 A HN 0.750 nan 8.150 nan 0.000 0.451 349 E N 0.009 120.185 120.200 -0.039 0.000 2.219 349 E HA -0.122 4.228 4.350 -0.000 0.000 0.198 349 E C 1.808 178.418 176.600 0.018 0.000 0.998 349 E CA 1.140 57.540 56.400 0.000 0.000 0.818 349 E CB -0.507 29.211 29.700 0.031 0.000 0.741 349 E HN 0.523 nan 8.360 nan 0.000 0.477 350 A N 1.409 124.250 122.820 0.034 0.000 2.125 350 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 350 A C 1.664 179.254 177.584 0.010 0.000 1.156 350 A CA 1.254 53.330 52.037 0.065 0.000 0.671 350 A CB -0.296 18.760 19.000 0.094 0.000 0.794 350 A HN 0.316 nan 8.150 nan 0.000 0.459 351 N N -0.537 118.153 118.700 -0.017 0.000 2.227 351 N HA 0.165 4.905 4.740 -0.000 0.000 0.196 351 N C 0.291 175.786 175.510 -0.025 0.000 1.142 351 N CA 0.184 53.219 53.050 -0.024 0.000 0.887 351 N CB 0.477 38.945 38.487 -0.031 0.000 1.022 351 N HN 0.705 nan 8.380 nan 0.000 0.500 352 I N 0.067 120.623 120.570 -0.023 0.000 2.315 352 I HA 0.507 4.677 4.170 -0.000 0.000 0.291 352 I C -2.721 173.381 176.117 -0.024 0.000 1.006 352 I CA -1.945 59.342 61.300 -0.022 0.000 1.265 352 I CB 1.048 39.036 38.000 -0.021 0.000 1.387 352 I HN -0.379 nan 8.210 nan 0.000 0.475 353 P HA 0.137 nan 4.420 nan 0.000 0.269 353 P C -0.584 176.700 177.300 -0.027 0.000 1.211 353 P CA 0.084 63.168 63.100 -0.027 0.000 0.781 353 P CB 0.704 32.392 31.700 -0.021 0.000 0.877 354 I N 0.000 120.551 120.570 -0.032 0.000 2.984 354 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 354 I CA 0.000 61.279 61.300 -0.035 0.000 1.566 354 I CB 0.000 37.973 38.000 -0.045 0.000 1.214 354 I HN 0.000 nan 8.210 nan 0.000 0.494