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 2o7q_1_A DATA FIRST_RESID 90 DATA SEQUENCE VKNPSLICAP VMADSIDKMV IETSKAHELG ADLVEIRLDW LKDFNPLEDL DATA SEQUENCE KTIIKKSPLP TLFTYRPKWE GGQYEGDENE RRDVLRLAME LGADYIDVEL DATA SEQUENCE QVASEFIKSI DGKKPGKFKV IVSSHNYQNT PSVEDLDGLV ARIQQTGADI DATA SEQUENCE VKIATTAVDI ADVARMFHIT SKAQVPTIGL VMGERGLMSR ILCSKFGGYL DATA SEQUENCE TFGTLDSSKV SAPGQPTIKD LLDLYNFRRI GPDTKVYGII GKPVSHSKSP DATA SEQUENCE IVHNQAFKSV DFNGVYVHLL VDNLVSFLQA YSSSDFAGFS CTIPHKEAAL DATA SEQUENCE QXCDEVDPLA KSIGAVNTIL RRKSDGKLLG YNTDXIGSIS AIEDGLXXXX DATA SEQUENCE XXXXXXXXXX XXXXXTVVVI GAGGAGKALA YGAKEKXAKV VIANRTYERA DATA SEQUENCE LELAEAIGGK ALSLTDLDNY XXEDGMVLAN TTSMGMQPNV EETPISKDAL DATA SEQUENCE KHYALVFDAV YTPRITRLLR EAEESGAITV SGSEMFVRQA YEQFEIFTGL DATA SEQUENCE PAPKELYWQI MSKYGSRENL YFQ 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 90 V HA 0.000 nan 4.120 nan 0.000 0.244 90 V C 0.000 176.115 176.094 0.035 0.000 1.182 90 V CA 0.000 62.319 62.300 0.031 0.000 1.235 90 V CB 0.000 31.853 31.823 0.050 0.000 1.184 91 K N 1.762 122.175 120.400 0.020 0.000 1.888 91 K HA -0.185 4.135 4.320 -0.000 0.000 0.330 91 K C 0.396 176.993 176.600 -0.005 0.000 1.719 91 K CA 1.008 57.307 56.287 0.020 0.000 0.669 91 K CB -0.624 31.911 32.500 0.059 0.000 0.941 91 K HN 0.841 nan 8.250 nan 0.000 0.795 92 N N 2.504 121.201 118.700 -0.005 0.000 2.329 92 N HA 0.049 4.789 4.740 -0.000 0.000 0.237 92 N C -2.166 173.300 175.510 -0.073 0.000 1.258 92 N CA -0.321 52.704 53.050 -0.043 0.000 0.866 92 N CB -0.507 37.949 38.487 -0.052 0.000 1.102 92 N HN 0.205 nan 8.380 nan 0.000 0.440 93 P HA -0.009 nan 4.420 nan 0.000 0.270 93 P C -0.053 177.189 177.300 -0.097 0.000 1.227 93 P CA -0.055 62.980 63.100 -0.107 0.000 0.788 93 P CB 0.449 32.088 31.700 -0.102 0.000 0.926 94 S N 0.781 116.445 115.700 -0.060 0.000 2.549 94 S HA 0.197 4.667 4.470 -0.000 0.000 0.279 94 S C 0.012 174.656 174.600 0.074 0.000 1.321 94 S CA -0.481 57.730 58.200 0.018 0.000 1.054 94 S CB -0.525 62.789 63.200 0.190 0.000 0.899 94 S HN 0.192 nan 8.310 nan 0.000 0.497 95 L N 4.358 125.507 121.223 -0.124 0.000 2.456 95 L HA 0.505 4.845 4.340 -0.000 0.000 0.257 95 L C -0.099 176.675 176.870 -0.160 0.000 1.162 95 L CA -0.536 54.217 54.840 -0.146 0.000 0.808 95 L CB 0.600 42.499 42.059 -0.267 0.000 1.136 95 L HN 0.582 nan 8.230 nan 0.000 0.466 96 I N 1.254 121.706 120.570 -0.196 0.000 2.382 96 I HA 0.221 4.391 4.170 -0.000 0.000 0.286 96 I C -0.670 175.309 176.117 -0.231 0.000 1.002 96 I CA -0.292 60.838 61.300 -0.284 0.000 1.135 96 I CB 1.736 39.543 38.000 -0.320 0.000 1.288 96 I HN 0.510 nan 8.210 nan 0.000 0.448 97 C N 6.350 125.473 119.300 -0.296 0.000 2.329 97 C HA 0.817 5.277 4.460 -0.000 0.000 0.329 97 C C 0.609 175.581 174.990 -0.030 0.000 1.275 97 C CA -0.256 58.632 59.018 -0.217 0.000 1.726 97 C CB 0.392 27.874 27.740 -0.430 0.000 2.291 97 C HN 0.834 nan 8.230 nan 0.000 0.514 98 A N 7.622 130.450 122.820 0.013 0.000 2.260 98 A HA 0.694 5.014 4.320 -0.000 0.000 0.308 98 A C -2.722 174.910 177.584 0.079 0.000 1.254 98 A CA -1.245 50.821 52.037 0.049 0.000 0.874 98 A CB 0.304 19.308 19.000 0.005 0.000 1.153 98 A HN 0.762 nan 8.150 nan 0.000 0.527 99 P HA 0.285 nan 4.420 nan 0.000 0.276 99 P C -0.776 176.498 177.300 -0.045 0.000 1.235 99 P CA -0.013 63.097 63.100 0.018 0.000 0.772 99 P CB 1.203 32.876 31.700 -0.046 0.000 0.871 100 V N 5.544 125.424 119.914 -0.057 0.000 2.334 100 V HA 0.280 4.400 4.120 -0.000 0.000 0.281 100 V C 0.833 176.872 176.094 -0.091 0.000 1.016 100 V CA 0.083 62.340 62.300 -0.072 0.000 0.832 100 V CB 0.892 32.679 31.823 -0.060 0.000 0.999 100 V HN 0.598 nan 8.190 nan 0.000 0.439 101 M N 2.881 122.389 119.600 -0.154 0.000 2.300 101 M HA 0.389 4.869 4.480 -0.000 0.000 0.313 101 M C 1.015 177.235 176.300 -0.133 0.000 0.988 101 M CA -0.179 54.984 55.300 -0.229 0.000 1.012 101 M CB 0.874 33.096 32.600 -0.631 0.000 1.586 101 M HN 0.604 nan 8.290 nan 0.000 0.562 102 A N 2.228 124.999 122.820 -0.081 0.000 2.603 102 A HA -0.055 4.265 4.320 -0.000 0.000 0.235 102 A C 0.881 178.484 177.584 0.031 0.000 1.035 102 A CA 0.664 52.681 52.037 -0.033 0.000 0.755 102 A CB -0.039 18.950 19.000 -0.018 0.000 0.954 102 A HN 0.616 nan 8.150 nan 0.000 0.511 103 D N 0.682 121.118 120.400 0.060 0.000 2.336 103 D HA 0.038 4.678 4.640 -0.000 0.000 0.229 103 D C 0.390 176.735 176.300 0.076 0.000 1.061 103 D CA 0.744 54.809 54.000 0.109 0.000 0.875 103 D CB -0.246 40.635 40.800 0.134 0.000 0.904 103 D HN 0.496 nan 8.370 nan 0.000 0.525 104 S N -0.882 114.850 115.700 0.052 0.000 2.541 104 S HA 0.374 4.843 4.470 -0.000 0.000 0.280 104 S C 0.620 175.246 174.600 0.043 0.000 1.112 104 S CA -0.920 57.311 58.200 0.052 0.000 0.925 104 S CB 1.546 64.774 63.200 0.047 0.000 1.067 104 S HN -0.092 nan 8.310 nan 0.000 0.479 105 I N 2.098 122.702 120.570 0.056 0.000 2.208 105 I HA -0.105 4.065 4.170 -0.000 0.000 0.245 105 I C 1.593 177.741 176.117 0.051 0.000 1.097 105 I CA 1.977 63.314 61.300 0.060 0.000 1.363 105 I CB -0.555 37.502 38.000 0.094 0.000 1.051 105 I HN 0.818 nan 8.210 nan 0.000 0.413 106 D N 0.623 121.051 120.400 0.047 0.000 2.144 106 D HA -0.183 4.457 4.640 -0.000 0.000 0.199 106 D C 2.144 178.460 176.300 0.028 0.000 0.984 106 D CA 1.184 55.207 54.000 0.037 0.000 0.834 106 D CB -0.150 40.670 40.800 0.034 0.000 0.955 106 D HN 0.477 nan 8.370 nan 0.000 0.465 107 K N 0.005 120.420 120.400 0.024 0.000 2.103 107 K HA 0.028 4.348 4.320 -0.000 0.000 0.204 107 K C 2.275 178.880 176.600 0.008 0.000 1.052 107 K CA 0.552 56.847 56.287 0.014 0.000 0.945 107 K CB -0.009 32.497 32.500 0.010 0.000 0.722 107 K HN 0.121 nan 8.250 nan 0.000 0.443 108 M N 0.457 120.065 119.600 0.012 0.000 2.159 108 M HA -0.163 4.317 4.480 -0.000 0.000 0.263 108 M C 2.173 178.481 176.300 0.014 0.000 1.063 108 M CA 1.262 56.566 55.300 0.006 0.000 1.110 108 M CB -0.215 32.391 32.600 0.009 0.000 1.374 108 M HN -0.056 nan 8.290 nan 0.000 0.411 109 V N 0.909 120.839 119.914 0.026 0.000 2.332 109 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 109 V C 2.172 178.277 176.094 0.019 0.000 1.055 109 V CA 1.814 64.131 62.300 0.029 0.000 1.038 109 V CB -0.585 31.259 31.823 0.035 0.000 0.651 109 V HN 0.448 nan 8.190 nan 0.000 0.450 110 I N -0.331 120.248 120.570 0.015 0.000 2.315 110 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 110 I C 2.496 178.618 176.117 0.010 0.000 1.117 110 I CA 1.469 62.776 61.300 0.011 0.000 1.404 110 I CB -0.457 37.549 38.000 0.009 0.000 1.071 110 I HN 0.403 nan 8.210 nan 0.000 0.419 111 E N 0.519 120.721 120.200 0.004 0.000 2.106 111 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 111 E C 2.223 178.828 176.600 0.009 0.000 0.984 111 E CA 1.934 58.334 56.400 -0.001 0.000 0.806 111 E CB -0.161 29.529 29.700 -0.017 0.000 0.750 111 E HN 0.610 nan 8.360 nan 0.000 0.458 112 T N -1.399 113.163 114.554 0.012 0.000 2.867 112 T HA -0.060 4.290 4.350 -0.000 0.000 0.268 112 T C 2.151 176.880 174.700 0.048 0.000 1.057 112 T CA 1.267 63.381 62.100 0.024 0.000 1.136 112 T CB -0.051 68.830 68.868 0.022 0.000 0.874 112 T HN -0.108 nan 8.240 nan 0.000 0.466 113 S N 1.008 116.729 115.700 0.034 0.000 2.371 113 S HA 0.057 4.527 4.470 -0.000 0.000 0.224 113 S C 2.027 176.666 174.600 0.066 0.000 1.029 113 S CA 1.021 59.242 58.200 0.035 0.000 0.978 113 S CB -0.282 62.923 63.200 0.008 0.000 0.833 113 S HN 0.442 nan 8.310 nan 0.000 0.466 114 K N 2.263 122.690 120.400 0.045 0.000 2.097 114 K HA 0.149 4.469 4.320 -0.000 0.000 0.205 114 K C 1.894 178.524 176.600 0.051 0.000 1.050 114 K CA 1.284 57.596 56.287 0.042 0.000 0.938 114 K CB -0.714 31.798 32.500 0.021 0.000 0.718 114 K HN 0.231 nan 8.250 nan 0.000 0.442 115 A N 0.355 123.204 122.820 0.048 0.000 1.902 115 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 115 A C 2.261 179.876 177.584 0.051 0.000 1.181 115 A CA 1.899 53.957 52.037 0.035 0.000 0.623 115 A CB -0.973 18.043 19.000 0.026 0.000 0.818 115 A HN 0.586 nan 8.150 nan 0.000 0.443 116 H N 0.079 119.148 119.070 -0.001 0.000 2.353 116 H HA -0.084 4.472 4.556 -0.000 0.000 0.300 116 H C 1.869 177.199 175.328 0.004 0.000 1.090 116 H CA 1.937 57.987 56.048 0.003 0.000 1.327 116 H CB -0.118 29.649 29.762 0.009 0.000 1.383 116 H HN 0.656 nan 8.280 nan 0.000 0.508 117 E N 0.428 120.752 120.200 0.206 0.000 2.058 117 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 117 E C 2.635 179.256 176.600 0.035 0.000 0.997 117 E CA 1.153 57.634 56.400 0.136 0.000 0.801 117 E CB -0.035 29.725 29.700 0.099 0.000 0.746 117 E HN 0.411 nan 8.360 nan 0.000 0.450 118 L N -0.779 120.455 121.223 0.018 0.000 2.265 118 L HA -0.071 4.269 4.340 -0.000 0.000 0.215 118 L C 1.610 178.460 176.870 -0.034 0.000 1.117 118 L CA 0.940 55.778 54.840 -0.003 0.000 0.782 118 L CB -0.195 41.863 42.059 -0.001 0.000 0.914 118 L HN 0.457 nan 8.230 nan 0.000 0.441 119 G N -1.173 107.581 108.800 -0.076 0.000 2.175 119 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.182 119 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.182 119 G C 0.322 175.155 174.900 -0.111 0.000 1.003 119 G CA -0.212 44.825 45.100 -0.106 0.000 0.666 119 G HN 0.461 nan 8.290 nan 0.000 0.506 120 A N 0.223 122.985 122.820 -0.097 0.000 2.425 120 A HA 0.533 4.853 4.320 -0.000 0.000 0.242 120 A C 1.151 178.680 177.584 -0.091 0.000 1.077 120 A CA 0.892 52.874 52.037 -0.091 0.000 0.781 120 A CB 0.328 19.292 19.000 -0.061 0.000 1.020 120 A HN 0.176 nan 8.150 nan 0.000 0.494 121 D N -0.487 119.863 120.400 -0.084 0.000 2.327 121 D HA 0.192 4.832 4.640 -0.000 0.000 0.205 121 D C 0.593 176.882 176.300 -0.018 0.000 0.989 121 D CA 1.279 55.245 54.000 -0.057 0.000 0.873 121 D CB -0.020 40.740 40.800 -0.067 0.000 0.955 121 D HN 0.603 nan 8.370 nan 0.000 0.515 122 L N -2.632 118.573 121.223 -0.029 0.000 2.933 122 L HA 0.599 4.939 4.340 -0.000 0.000 0.271 122 L C -1.329 175.531 176.870 -0.017 0.000 1.071 122 L CA -1.244 53.599 54.840 0.005 0.000 0.938 122 L CB 2.146 44.220 42.059 0.024 0.000 1.534 122 L HN -0.233 nan 8.230 nan 0.000 0.396 123 V N -2.303 117.604 119.914 -0.013 0.000 2.789 123 V HA 0.626 4.746 4.120 -0.000 0.000 0.311 123 V C -0.800 175.260 176.094 -0.056 0.000 1.073 123 V CA -0.400 61.883 62.300 -0.027 0.000 0.921 123 V CB 1.723 33.525 31.823 -0.037 0.000 1.009 123 V HN 0.941 nan 8.190 nan 0.000 0.426 124 E N 4.346 124.545 120.200 -0.002 0.000 2.081 124 E HA 0.401 4.751 4.350 -0.000 0.000 0.276 124 E C -0.940 175.608 176.600 -0.088 0.000 0.950 124 E CA -0.855 55.542 56.400 -0.005 0.000 0.776 124 E CB 1.238 31.042 29.700 0.173 0.000 1.094 124 E HN 0.717 nan 8.360 nan 0.000 0.402 125 I N 5.346 125.775 120.570 -0.234 0.000 2.308 125 I HA 0.149 4.318 4.170 -0.000 0.000 0.293 125 I C 0.420 176.505 176.117 -0.054 0.000 1.078 125 I CA -0.278 60.895 61.300 -0.213 0.000 1.292 125 I CB 0.306 38.022 38.000 -0.473 0.000 1.423 125 I HN 0.382 nan 8.210 nan 0.000 0.493 126 R N 6.900 127.409 120.500 0.013 0.000 2.891 126 R HA 0.226 4.566 4.340 -0.000 0.000 0.248 126 R C 1.178 177.553 176.300 0.125 0.000 1.439 126 R CA -0.291 55.883 56.100 0.124 0.000 1.288 126 R CB 0.185 30.628 30.300 0.239 0.000 1.212 126 R HN 0.637 nan 8.270 nan 0.000 0.605 127 L N 1.020 122.258 121.223 0.024 0.000 2.129 127 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 127 L C 1.772 178.632 176.870 -0.017 0.000 1.087 127 L CA 1.513 56.219 54.840 -0.223 0.000 0.757 127 L CB -0.271 41.457 42.059 -0.551 0.000 0.896 127 L HN 0.463 nan 8.230 nan 0.000 0.434 128 D N -1.317 119.230 120.400 0.245 0.000 2.378 128 D HA -0.227 4.413 4.640 -0.000 0.000 0.222 128 D C 1.560 177.817 176.300 -0.072 0.000 0.980 128 D CA 0.748 54.862 54.000 0.189 0.000 0.907 128 D CB -0.294 40.521 40.800 0.025 0.000 0.899 128 D HN 0.456 nan 8.370 nan 0.000 0.527 129 W N 0.829 122.141 121.300 0.020 0.000 3.278 129 W HA 0.329 4.989 4.660 -0.000 0.000 0.308 129 W C 0.487 176.994 176.519 -0.019 0.000 1.253 129 W CA -0.580 56.761 57.345 -0.007 0.000 1.759 129 W CB 0.281 29.723 29.460 -0.030 0.000 1.093 129 W HN -0.206 nan 8.180 nan 0.000 0.648 130 L N 1.952 123.245 121.223 0.116 0.000 2.410 130 L HA 0.039 4.378 4.340 -0.000 0.000 0.273 130 L C 1.664 178.596 176.870 0.103 0.000 1.144 130 L CA -0.192 54.680 54.840 0.053 0.000 0.863 130 L CB 0.846 42.821 42.059 -0.139 0.000 1.140 130 L HN -0.138 nan 8.230 nan 0.000 0.463 131 K N 1.365 121.831 120.400 0.110 0.000 2.001 131 K HA -0.023 4.297 4.320 -0.000 0.000 0.208 131 K C -0.030 176.642 176.600 0.121 0.000 1.048 131 K CA 1.227 57.576 56.287 0.103 0.000 0.932 131 K CB -0.010 32.543 32.500 0.088 0.000 0.715 131 K HN 0.560 nan 8.250 nan 0.000 0.437 132 D N -0.918 119.563 120.400 0.135 0.000 2.362 132 D HA 0.293 4.933 4.640 -0.000 0.000 0.247 132 D C -1.301 175.158 176.300 0.265 0.000 1.050 132 D CA -0.352 53.747 54.000 0.165 0.000 0.839 132 D CB 1.280 42.152 40.800 0.119 0.000 1.283 132 D HN -0.047 nan 8.370 nan 0.000 0.477 133 F N 2.215 122.206 119.950 0.068 0.000 2.617 133 F HA 0.309 4.836 4.527 -0.000 0.000 0.325 133 F C -0.888 174.938 175.800 0.043 0.000 1.179 133 F CA -0.849 57.184 58.000 0.055 0.000 0.965 133 F CB 1.186 40.228 39.000 0.070 0.000 1.232 133 F HN 0.057 nan 8.300 nan 0.000 0.461 134 N N 8.571 127.283 118.700 0.020 0.000 2.936 134 N HA 0.212 4.952 4.740 -0.000 0.000 0.243 134 N C -2.220 173.059 175.510 -0.386 0.000 1.149 134 N CA -1.539 51.405 53.050 -0.177 0.000 0.914 134 N CB 1.322 39.791 38.487 -0.030 0.000 1.179 134 N HN 0.361 nan 8.380 nan 0.000 0.502 135 P HA -0.282 nan 4.420 nan 0.000 0.211 135 P C 1.763 178.882 177.300 -0.303 0.000 1.038 135 P CA 1.066 63.636 63.100 -0.885 0.000 0.988 135 P CB 0.478 31.774 31.700 -0.673 0.000 0.758 136 L N -0.917 120.180 121.223 -0.210 0.000 2.013 136 L HA -0.261 4.079 4.340 -0.000 0.000 0.212 136 L C 2.578 179.409 176.870 -0.064 0.000 1.073 136 L CA 1.954 56.725 54.840 -0.114 0.000 0.753 136 L CB -0.626 41.378 42.059 -0.091 0.000 0.890 136 L HN 0.058 nan 8.230 nan 0.000 0.432 137 E N -0.485 119.684 120.200 -0.051 0.000 2.072 137 E HA -0.242 4.108 4.350 -0.000 0.000 0.191 137 E C 1.658 178.282 176.600 0.039 0.000 0.985 137 E CA 1.581 57.977 56.400 -0.006 0.000 0.801 137 E CB 0.114 29.813 29.700 -0.002 0.000 0.750 137 E HN 0.502 nan 8.360 nan 0.000 0.452 138 D N 0.476 120.925 120.400 0.081 0.000 2.123 138 D HA -0.110 4.530 4.640 -0.000 0.000 0.200 138 D C 2.198 178.605 176.300 0.178 0.000 0.976 138 D CA 0.650 54.758 54.000 0.180 0.000 0.831 138 D CB -0.222 40.796 40.800 0.362 0.000 0.974 138 D HN 0.248 nan 8.370 nan 0.000 0.469 139 L N 0.552 121.862 121.223 0.145 0.000 2.012 139 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 139 L C 2.431 179.322 176.870 0.035 0.000 1.073 139 L CA 1.111 55.971 54.840 0.034 0.000 0.748 139 L CB -0.347 41.627 42.059 -0.141 0.000 0.891 139 L HN -0.036 nan 8.230 nan 0.000 0.431 140 K N -0.007 120.405 120.400 0.019 0.000 2.032 140 K HA -0.163 4.157 4.320 -0.000 0.000 0.209 140 K C 2.002 178.639 176.600 0.061 0.000 1.048 140 K CA 2.134 58.437 56.287 0.026 0.000 0.927 140 K CB -0.592 31.913 32.500 0.009 0.000 0.712 140 K HN 0.182 nan 8.250 nan 0.000 0.441 141 T N 1.066 115.663 114.554 0.072 0.000 2.652 141 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 141 T C 1.869 176.630 174.700 0.103 0.000 1.039 141 T CA 1.792 63.939 62.100 0.078 0.000 1.153 141 T CB -0.286 68.629 68.868 0.080 0.000 0.863 141 T HN 0.161 nan 8.240 nan 0.000 0.428 142 I N 0.531 121.190 120.570 0.148 0.000 2.179 142 I HA -0.145 4.025 4.170 -0.000 0.000 0.242 142 I C 2.299 178.538 176.117 0.203 0.000 1.088 142 I CA 1.411 62.824 61.300 0.189 0.000 1.357 142 I CB -0.402 37.780 38.000 0.303 0.000 1.051 142 I HN 0.227 nan 8.210 nan 0.000 0.409 143 I N 0.568 121.282 120.570 0.240 0.000 2.286 143 I HA -0.307 3.863 4.170 -0.000 0.000 0.248 143 I C 2.619 178.813 176.117 0.129 0.000 1.115 143 I CA 1.367 62.796 61.300 0.217 0.000 1.392 143 I CB -0.426 37.683 38.000 0.181 0.000 1.065 143 I HN 0.229 nan 8.210 nan 0.000 0.418 144 K N 1.589 122.047 120.400 0.097 0.000 2.025 144 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 144 K C 1.981 178.616 176.600 0.058 0.000 1.049 144 K CA 1.404 57.730 56.287 0.066 0.000 0.933 144 K CB 0.109 32.639 32.500 0.050 0.000 0.714 144 K HN 0.195 nan 8.250 nan 0.000 0.438 145 K N 0.372 120.810 120.400 0.062 0.000 2.361 145 K HA 0.049 4.369 4.320 -0.000 0.000 0.196 145 K C 0.583 177.208 176.600 0.042 0.000 1.039 145 K CA -0.062 56.252 56.287 0.045 0.000 1.001 145 K CB 0.478 33.003 32.500 0.042 0.000 0.795 145 K HN -0.028 nan 8.250 nan 0.000 0.495 146 S N 2.437 118.175 115.700 0.063 0.000 2.516 146 S HA 0.068 4.537 4.470 -0.000 0.000 0.282 146 S C -1.508 173.122 174.600 0.050 0.000 1.286 146 S CA -1.355 56.880 58.200 0.058 0.000 1.066 146 S CB 0.654 63.899 63.200 0.075 0.000 0.884 146 S HN 0.083 nan 8.310 nan 0.000 0.491 147 P HA 0.198 nan 4.420 nan 0.000 0.249 147 P C -0.336 177.035 177.300 0.118 0.000 1.229 147 P CA 0.306 63.417 63.100 0.018 0.000 0.788 147 P CB 0.133 31.761 31.700 -0.121 0.000 1.072 148 L N -0.303 120.990 121.223 0.117 0.000 2.333 148 L HA 0.524 4.864 4.340 -0.000 0.000 0.263 148 L C -2.590 174.342 176.870 0.104 0.000 1.014 148 L CA -3.011 51.903 54.840 0.123 0.000 0.820 148 L CB 2.076 44.200 42.059 0.108 0.000 1.352 148 L HN -0.398 nan 8.230 nan 0.000 0.421 149 P HA 0.036 nan 4.420 nan 0.000 0.266 149 P C -0.835 176.556 177.300 0.150 0.000 1.195 149 P CA -0.070 63.122 63.100 0.152 0.000 0.768 149 P CB 0.445 32.261 31.700 0.193 0.000 0.838 150 T N 0.719 115.378 114.554 0.175 0.000 2.859 150 T HA 0.618 4.968 4.350 -0.000 0.000 0.281 150 T C -0.735 174.058 174.700 0.156 0.000 1.005 150 T CA -0.826 61.307 62.100 0.056 0.000 1.025 150 T CB 0.794 69.670 68.868 0.013 0.000 0.977 150 T HN 0.201 nan 8.240 nan 0.000 0.458 151 L N 3.146 124.330 121.223 -0.065 0.000 2.343 151 L HA 0.717 5.057 4.340 -0.000 0.000 0.278 151 L C -1.893 174.883 176.870 -0.157 0.000 0.996 151 L CA -1.207 53.671 54.840 0.062 0.000 0.831 151 L CB 0.708 42.752 42.059 -0.025 0.000 1.232 151 L HN 0.717 nan 8.230 nan 0.000 0.413 152 F N 3.007 123.063 119.950 0.177 0.000 2.420 152 F HA 0.702 5.229 4.527 -0.000 0.000 0.342 152 F C 0.575 176.435 175.800 0.100 0.000 1.113 152 F CA -0.230 57.843 58.000 0.121 0.000 1.059 152 F CB 2.170 41.243 39.000 0.122 0.000 1.128 152 F HN 0.434 nan 8.300 nan 0.000 0.475 153 T N 3.255 117.936 114.554 0.212 0.000 2.861 153 T HA 0.258 4.608 4.350 -0.000 0.000 0.287 153 T C -1.242 173.574 174.700 0.193 0.000 1.003 153 T CA -0.507 61.685 62.100 0.154 0.000 0.977 153 T CB 0.938 69.861 68.868 0.091 0.000 0.996 153 T HN 0.601 nan 8.240 nan 0.000 0.448 154 Y N 2.582 122.866 120.300 -0.026 0.000 2.511 154 Y HA 0.404 4.954 4.550 -0.000 0.000 0.356 154 Y C 0.337 176.132 175.900 -0.174 0.000 1.002 154 Y CA -1.240 56.805 58.100 -0.092 0.000 1.127 154 Y CB 0.327 38.717 38.460 -0.117 0.000 1.137 154 Y HN 0.440 nan 8.280 nan 0.000 0.652 155 R N 4.600 125.079 120.500 -0.035 0.000 2.484 155 R HA 0.114 4.454 4.340 -0.000 0.000 0.293 155 R C -2.663 173.447 176.300 -0.316 0.000 1.023 155 R CA -1.371 54.598 56.100 -0.217 0.000 1.037 155 R CB 0.304 30.496 30.300 -0.180 0.000 0.951 155 R HN 0.244 nan 8.270 nan 0.000 0.418 156 P HA 0.117 nan 4.420 nan 0.000 0.282 156 P C -0.660 176.308 177.300 -0.554 0.000 1.259 156 P CA -0.461 62.294 63.100 -0.576 0.000 0.826 156 P CB 1.348 32.363 31.700 -1.141 0.000 1.064 157 K N 2.585 122.780 120.400 -0.342 0.000 2.152 157 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 157 K C 1.633 178.154 176.600 -0.132 0.000 1.048 157 K CA 1.784 57.941 56.287 -0.218 0.000 0.933 157 K CB -0.777 31.645 32.500 -0.130 0.000 0.721 157 K HN 0.610 nan 8.250 nan 0.000 0.447 158 W N -0.394 120.880 121.300 -0.043 0.000 2.961 158 W HA 0.087 4.747 4.660 0.000 0.000 0.240 158 W C 0.387 176.908 176.519 0.003 0.000 1.305 158 W CA 0.446 57.779 57.345 -0.021 0.000 1.465 158 W CB -0.171 29.285 29.460 -0.006 0.000 1.135 158 W HN 0.141 nan 8.180 nan 0.000 0.688 159 E N -0.022 120.035 120.200 -0.238 0.000 2.693 159 E HA 0.276 4.626 4.350 -0.000 0.000 0.214 159 E C 1.378 177.900 176.600 -0.130 0.000 0.990 159 E CA 0.396 56.708 56.400 -0.147 0.000 1.047 159 E CB 0.088 29.500 29.700 -0.481 0.000 1.039 159 E HN 0.187 nan 8.360 nan 0.000 0.475 160 G N -0.732 107.965 108.800 -0.172 0.000 2.157 160 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.239 160 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.239 160 G C 0.586 175.354 174.900 -0.219 0.000 0.982 160 G CA 0.023 44.982 45.100 -0.235 0.000 0.650 160 G HN 0.575 nan 8.290 nan 0.000 0.527 161 G N -1.488 107.152 108.800 -0.267 0.000 2.583 161 G HA2 0.538 4.497 3.960 -0.000 0.000 0.280 161 G HA3 0.538 4.497 3.960 -0.000 0.000 0.280 161 G C 0.660 175.359 174.900 -0.335 0.000 1.376 161 G CA 0.320 45.259 45.100 -0.267 0.000 1.043 161 G HN 0.134 nan 8.290 nan 0.000 0.538 162 Q N -1.341 118.198 119.800 -0.436 0.000 2.319 162 Q HA 0.090 4.430 4.340 -0.000 0.000 0.209 162 Q C -0.264 175.557 176.000 -0.299 0.000 0.884 162 Q CA -0.289 55.219 55.803 -0.492 0.000 0.938 162 Q CB 0.329 28.535 28.738 -0.887 0.000 1.098 162 Q HN 0.529 nan 8.270 nan 0.000 0.517 163 Y N 2.430 122.520 120.300 -0.350 0.000 2.359 163 Y HA 0.117 4.667 4.550 -0.000 0.000 0.330 163 Y C -0.163 175.584 175.900 -0.254 0.000 1.143 163 Y CA 0.111 58.020 58.100 -0.317 0.000 1.318 163 Y CB 0.538 38.694 38.460 -0.508 0.000 1.234 163 Y HN -0.089 nan 8.280 nan 0.000 0.522 164 E N 3.697 123.288 120.200 -1.016 0.000 2.343 164 E HA 0.689 5.039 4.350 -0.000 0.000 0.270 164 E C -0.353 175.645 176.600 -1.004 0.000 0.895 164 E CA -0.560 55.417 56.400 -0.706 0.000 0.767 164 E CB 2.116 31.590 29.700 -0.375 0.000 1.248 164 E HN 0.966 nan 8.360 nan 0.000 0.440 165 G N 1.800 110.315 108.800 -0.475 0.000 2.306 165 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.262 165 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.262 165 G C -1.387 173.531 174.900 0.030 0.000 1.263 165 G CA -0.745 44.201 45.100 -0.256 0.000 1.088 165 G HN 0.623 nan 8.290 nan 0.000 0.489 166 D N -0.188 120.294 120.400 0.136 0.000 2.417 166 D HA 0.421 5.060 4.640 -0.000 0.000 0.250 166 D C 1.356 177.819 176.300 0.273 0.000 1.166 166 D CA 0.440 54.549 54.000 0.182 0.000 0.881 166 D CB 1.314 42.197 40.800 0.139 0.000 1.164 166 D HN 0.563 nan 8.370 nan 0.000 0.467 167 E N 3.082 123.413 120.200 0.218 0.000 2.072 167 E HA -0.192 4.158 4.350 -0.000 0.000 0.191 167 E C 1.131 177.825 176.600 0.156 0.000 0.985 167 E CA 1.393 57.922 56.400 0.214 0.000 0.801 167 E CB -0.011 29.802 29.700 0.189 0.000 0.750 167 E HN 0.493 nan 8.360 nan 0.000 0.452 168 N N 0.652 119.432 118.700 0.133 0.000 2.166 168 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 168 N C 1.606 177.188 175.510 0.119 0.000 1.019 168 N CA 1.286 54.408 53.050 0.119 0.000 0.856 168 N CB -0.147 38.394 38.487 0.090 0.000 0.993 168 N HN 0.402 nan 8.380 nan 0.000 0.426 169 E N 0.754 121.029 120.200 0.125 0.000 2.077 169 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 169 E C 2.076 178.754 176.600 0.130 0.000 0.989 169 E CA 0.526 57.004 56.400 0.129 0.000 0.800 169 E CB -0.045 29.753 29.700 0.164 0.000 0.746 169 E HN 0.286 nan 8.360 nan 0.000 0.452 170 R N 1.216 121.737 120.500 0.035 0.000 2.081 170 R HA -0.125 4.214 4.340 -0.000 0.000 0.235 170 R C 2.245 178.612 176.300 0.112 0.000 1.131 170 R CA 1.344 57.345 56.100 -0.164 0.000 0.960 170 R CB 0.047 29.972 30.300 -0.625 0.000 0.856 170 R HN 0.049 nan 8.270 nan 0.000 0.436 171 R N 0.114 120.700 120.500 0.143 0.000 2.092 171 R HA -0.078 4.262 4.340 -0.000 0.000 0.231 171 R C 1.806 178.281 176.300 0.292 0.000 1.119 171 R CA 1.352 57.618 56.100 0.276 0.000 0.970 171 R CB -0.223 30.281 30.300 0.341 0.000 0.864 171 R HN 0.286 nan 8.270 nan 0.000 0.440 172 D N 0.446 120.954 120.400 0.181 0.000 2.123 172 D HA -0.132 4.508 4.640 -0.000 0.000 0.196 172 D C 1.964 178.327 176.300 0.104 0.000 0.992 172 D CA 1.087 55.158 54.000 0.118 0.000 0.833 172 D CB -0.157 40.685 40.800 0.071 0.000 0.954 172 D HN -0.001 nan 8.370 nan 0.000 0.455 173 V N 1.070 121.059 119.914 0.124 0.000 2.343 173 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 173 V C 2.648 178.787 176.094 0.075 0.000 1.051 173 V CA 1.143 63.482 62.300 0.065 0.000 1.036 173 V CB -0.447 31.429 31.823 0.088 0.000 0.654 173 V HN 0.217 nan 8.190 nan 0.000 0.451 174 L N -0.718 120.616 121.223 0.185 0.000 2.056 174 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 174 L C 2.779 179.821 176.870 0.288 0.000 1.078 174 L CA 1.629 56.607 54.840 0.231 0.000 0.749 174 L CB -0.607 41.577 42.059 0.208 0.000 0.901 174 L HN 0.221 nan 8.230 nan 0.000 0.433 175 R N -0.187 120.496 120.500 0.305 0.000 2.092 175 R HA -0.118 4.222 4.340 -0.000 0.000 0.231 175 R C 2.320 178.617 176.300 -0.005 0.000 1.119 175 R CA 0.985 57.163 56.100 0.131 0.000 0.970 175 R CB -0.244 30.069 30.300 0.023 0.000 0.864 175 R HN 0.338 nan 8.270 nan 0.000 0.440 176 L N 0.220 121.437 121.223 -0.010 0.000 2.046 176 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 176 L C 2.388 179.177 176.870 -0.134 0.000 1.077 176 L CA 1.295 56.090 54.840 -0.076 0.000 0.747 176 L CB -0.390 41.621 42.059 -0.079 0.000 0.896 176 L HN 0.234 nan 8.230 nan 0.000 0.432 177 A N -0.367 122.357 122.820 -0.159 0.000 1.902 177 A HA -0.295 4.024 4.320 -0.000 0.000 0.217 177 A C 2.292 179.769 177.584 -0.179 0.000 1.181 177 A CA 1.958 53.811 52.037 -0.307 0.000 0.623 177 A CB -0.548 18.189 19.000 -0.438 0.000 0.818 177 A HN 0.549 nan 8.150 nan 0.000 0.443 178 M N 0.489 119.992 119.600 -0.162 0.000 2.067 178 M HA -0.199 4.281 4.480 -0.000 0.000 0.260 178 M C 1.943 177.994 176.300 -0.415 0.000 1.069 178 M CA 2.418 57.415 55.300 -0.506 0.000 1.117 178 M CB -0.445 31.678 32.600 -0.795 0.000 1.334 178 M HN 0.628 nan 8.290 nan 0.000 0.407 179 E N 0.080 120.119 120.200 -0.268 0.000 2.418 179 E HA -0.127 4.223 4.350 -0.000 0.000 0.197 179 E C 1.685 178.207 176.600 -0.131 0.000 1.026 179 E CA 0.690 56.977 56.400 -0.190 0.000 0.862 179 E CB -0.433 29.183 29.700 -0.141 0.000 0.799 179 E HN 0.572 nan 8.360 nan 0.000 0.518 180 L N 0.149 121.296 121.223 -0.127 0.000 2.592 180 L HA 0.229 4.569 4.340 -0.000 0.000 0.227 180 L C 1.098 177.941 176.870 -0.044 0.000 1.127 180 L CA 0.481 55.270 54.840 -0.085 0.000 0.884 180 L CB 0.361 42.358 42.059 -0.103 0.000 1.065 180 L HN 0.453 nan 8.230 nan 0.000 0.457 181 G N -0.139 108.634 108.800 -0.045 0.000 2.145 181 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.145 181 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.145 181 G C 0.274 175.248 174.900 0.124 0.000 1.017 181 G CA -0.202 44.913 45.100 0.025 0.000 0.682 181 G HN 0.370 nan 8.290 nan 0.000 0.504 182 A N 0.034 122.955 122.820 0.168 0.000 2.445 182 A HA 0.552 4.872 4.320 -0.000 0.000 0.242 182 A C 1.190 179.039 177.584 0.442 0.000 1.075 182 A CA 0.727 53.010 52.037 0.409 0.000 0.777 182 A CB 0.349 19.677 19.000 0.547 0.000 1.013 182 A HN 0.210 nan 8.150 nan 0.000 0.493 183 D N -0.483 120.135 120.400 0.364 0.000 2.249 183 D HA 0.092 4.732 4.640 -0.000 0.000 0.205 183 D C -0.556 175.659 176.300 -0.142 0.000 0.962 183 D CA 1.731 55.785 54.000 0.090 0.000 0.860 183 D CB 0.075 40.886 40.800 0.019 0.000 0.955 183 D HN 0.637 nan 8.370 nan 0.000 0.505 184 Y N -0.877 119.571 120.300 0.246 0.000 2.656 184 Y HA 0.336 4.886 4.550 -0.000 0.000 0.334 184 Y C -0.670 175.385 175.900 0.258 0.000 1.179 184 Y CA -1.593 56.525 58.100 0.030 0.000 1.050 184 Y CB 1.246 39.705 38.460 -0.001 0.000 1.308 184 Y HN -0.291 nan 8.280 nan 0.000 0.456 185 I N -1.343 119.424 120.570 0.328 0.000 2.865 185 I HA 0.700 4.870 4.170 -0.000 0.000 0.302 185 I C -1.611 174.604 176.117 0.163 0.000 1.140 185 I CA -0.770 60.736 61.300 0.345 0.000 1.021 185 I CB 2.266 40.532 38.000 0.443 0.000 1.233 185 I HN 0.502 nan 8.210 nan 0.000 0.427 186 D N 3.538 124.006 120.400 0.113 0.000 2.391 186 D HA 0.554 5.194 4.640 -0.000 0.000 0.245 186 D C -1.563 174.718 176.300 -0.031 0.000 1.069 186 D CA -0.286 53.744 54.000 0.049 0.000 0.831 186 D CB 2.261 43.108 40.800 0.078 0.000 1.204 186 D HN 0.618 nan 8.370 nan 0.000 0.503 187 V N 3.280 123.151 119.914 -0.072 0.000 2.540 187 V HA 0.381 4.501 4.120 -0.000 0.000 0.302 187 V C -0.821 175.263 176.094 -0.015 0.000 1.035 187 V CA -0.690 61.518 62.300 -0.152 0.000 0.873 187 V CB 1.742 33.338 31.823 -0.379 0.000 0.992 187 V HN 0.477 nan 8.190 nan 0.000 0.428 188 E N 4.098 124.315 120.200 0.030 0.000 2.414 188 E HA 0.067 4.417 4.350 -0.000 0.000 0.263 188 E C 0.720 177.423 176.600 0.171 0.000 1.000 188 E CA 0.100 56.583 56.400 0.138 0.000 0.914 188 E CB 0.753 30.590 29.700 0.227 0.000 0.948 188 E HN 0.672 nan 8.360 nan 0.000 0.444 189 L N 3.322 124.638 121.223 0.155 0.000 2.051 189 L HA -0.325 4.015 4.340 -0.000 0.000 0.214 189 L C 2.033 178.984 176.870 0.134 0.000 1.076 189 L CA 2.096 57.010 54.840 0.124 0.000 0.758 189 L CB -0.601 41.519 42.059 0.101 0.000 0.890 189 L HN 0.692 nan 8.230 nan 0.000 0.433 190 Q N -0.427 119.480 119.800 0.178 0.000 2.133 190 Q HA -0.174 4.166 4.340 -0.000 0.000 0.208 190 Q C 1.749 177.798 176.000 0.082 0.000 0.991 190 Q CA 2.831 58.697 55.803 0.104 0.000 0.867 190 Q CB -0.320 28.451 28.738 0.055 0.000 0.911 190 Q HN 0.601 nan 8.270 nan 0.000 0.417 191 V N -3.725 116.284 119.914 0.158 0.000 3.427 191 V HA 0.553 4.673 4.120 -0.000 0.000 0.305 191 V C 1.616 177.820 176.094 0.183 0.000 1.412 191 V CA 0.478 62.869 62.300 0.153 0.000 1.086 191 V CB -0.356 31.587 31.823 0.201 0.000 0.964 191 V HN 0.278 nan 8.190 nan 0.000 0.439 192 A N 1.641 124.556 122.820 0.160 0.000 1.873 192 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 192 A C 2.420 180.125 177.584 0.200 0.000 1.193 192 A CA 2.829 54.971 52.037 0.175 0.000 0.629 192 A CB -1.146 17.929 19.000 0.125 0.000 0.826 192 A HN 0.607 nan 8.150 nan 0.000 0.447 193 S N -0.304 115.479 115.700 0.138 0.000 2.359 193 S HA -0.230 4.240 4.470 -0.000 0.000 0.223 193 S C 1.873 176.546 174.600 0.122 0.000 1.039 193 S CA 1.778 60.045 58.200 0.112 0.000 1.042 193 S CB -0.459 62.786 63.200 0.075 0.000 0.915 193 S HN 0.707 nan 8.310 nan 0.000 0.439 194 E N 0.155 120.431 120.200 0.127 0.000 2.038 194 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 194 E C 1.837 178.524 176.600 0.145 0.000 1.000 194 E CA 1.403 57.873 56.400 0.116 0.000 0.803 194 E CB -0.299 29.471 29.700 0.117 0.000 0.750 194 E HN 0.489 nan 8.360 nan 0.000 0.448 195 F N 1.443 121.436 119.950 0.072 0.000 2.046 195 F HA -0.226 4.301 4.527 -0.000 0.000 0.297 195 F C 2.116 177.965 175.800 0.083 0.000 1.123 195 F CA 1.551 59.602 58.000 0.084 0.000 1.199 195 F CB -0.195 38.869 39.000 0.107 0.000 0.972 195 F HN -0.071 nan 8.300 nan 0.000 0.474 196 I N 0.261 120.974 120.570 0.239 0.000 2.335 196 I HA -0.337 3.833 4.170 -0.000 0.000 0.251 196 I C 2.212 178.334 176.117 0.008 0.000 1.129 196 I CA 1.465 62.842 61.300 0.128 0.000 1.402 196 I CB -0.516 37.590 38.000 0.177 0.000 1.069 196 I HN 0.209 nan 8.210 nan 0.000 0.424 197 K N 0.464 120.870 120.400 0.010 0.000 2.155 197 K HA -0.091 4.229 4.320 -0.000 0.000 0.203 197 K C 2.178 178.743 176.600 -0.058 0.000 1.052 197 K CA 1.611 57.892 56.287 -0.010 0.000 0.948 197 K CB -0.153 32.353 32.500 0.010 0.000 0.728 197 K HN 0.384 nan 8.250 nan 0.000 0.448 198 S N 1.278 116.907 115.700 -0.119 0.000 2.515 198 S HA -0.051 4.419 4.470 -0.000 0.000 0.231 198 S C 1.723 176.206 174.600 -0.195 0.000 0.987 198 S CA 0.575 58.681 58.200 -0.157 0.000 0.936 198 S CB -0.536 62.546 63.200 -0.197 0.000 0.766 198 S HN 0.472 nan 8.310 nan 0.000 0.528 199 I N -1.528 118.912 120.570 -0.215 0.000 4.081 199 I HA 0.413 4.583 4.170 -0.000 0.000 0.333 199 I C -0.185 175.892 176.117 -0.067 0.000 1.413 199 I CA -0.686 60.514 61.300 -0.166 0.000 1.110 199 I CB -0.200 37.671 38.000 -0.215 0.000 1.082 199 I HN -0.094 nan 8.210 nan 0.000 0.402 200 D N 2.539 122.911 120.400 -0.047 0.000 2.520 200 D HA 0.253 4.893 4.640 -0.000 0.000 0.243 200 D C 1.579 177.873 176.300 -0.011 0.000 1.160 200 D CA 2.034 56.027 54.000 -0.011 0.000 0.877 200 D CB 0.564 41.359 40.800 -0.007 0.000 1.150 200 D HN 0.572 nan 8.370 nan 0.000 0.494 201 G N 3.789 112.592 108.800 0.004 0.000 2.162 201 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.260 201 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.260 201 G C 0.842 175.737 174.900 -0.009 0.000 0.976 201 G CA 0.683 45.784 45.100 0.001 0.000 0.655 201 G HN 0.602 nan 8.290 nan 0.000 0.533 202 K N -0.334 120.055 120.400 -0.018 0.000 2.413 202 K HA 0.177 4.497 4.320 -0.000 0.000 0.204 202 K C 0.577 177.149 176.600 -0.048 0.000 1.041 202 K CA -0.257 56.005 56.287 -0.040 0.000 1.082 202 K CB 0.710 33.171 32.500 -0.065 0.000 0.871 202 K HN 0.242 nan 8.250 nan 0.000 0.535 203 K N 2.384 122.786 120.400 0.003 0.000 2.297 203 K HA 0.179 4.499 4.320 -0.000 0.000 0.286 203 K C -2.342 174.279 176.600 0.035 0.000 1.053 203 K CA -1.518 54.796 56.287 0.046 0.000 0.940 203 K CB 0.388 33.011 32.500 0.205 0.000 1.019 203 K HN -0.124 nan 8.250 nan 0.000 0.475 204 P HA -0.041 nan 4.420 nan 0.000 0.280 204 P C 0.901 178.249 177.300 0.081 0.000 1.278 204 P CA -0.259 62.843 63.100 0.003 0.000 0.787 204 P CB 0.447 32.116 31.700 -0.051 0.000 1.163 205 G N 0.331 109.168 108.800 0.061 0.000 2.454 205 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.214 205 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.214 205 G C 0.169 175.117 174.900 0.079 0.000 1.217 205 G CA 0.356 45.494 45.100 0.063 0.000 0.799 205 G HN 0.614 nan 8.290 nan 0.000 0.538 206 K N -0.546 119.899 120.400 0.076 0.000 2.751 206 K HA 0.493 4.813 4.320 -0.000 0.000 0.252 206 K C -1.245 175.419 176.600 0.107 0.000 1.277 206 K CA -0.548 55.772 56.287 0.054 0.000 1.226 206 K CB -0.252 32.266 32.500 0.031 0.000 1.658 206 K HN 0.127 nan 8.250 nan 0.000 0.303 207 F N 1.211 121.120 119.950 -0.069 0.000 2.569 207 F HA 0.478 5.005 4.527 -0.000 0.000 0.312 207 F C -1.457 174.309 175.800 -0.057 0.000 1.109 207 F CA -0.919 57.041 58.000 -0.067 0.000 0.919 207 F CB 1.985 40.986 39.000 0.002 0.000 1.211 207 F HN 0.066 nan 8.300 nan 0.000 0.446 208 K N 4.817 124.702 120.400 -0.859 0.000 2.427 208 K HA 0.632 4.952 4.320 -0.000 0.000 0.252 208 K C -1.672 174.544 176.600 -0.641 0.000 0.931 208 K CA -1.040 54.913 56.287 -0.557 0.000 0.793 208 K CB 2.758 35.110 32.500 -0.247 0.000 1.211 208 K HN 0.391 nan 8.250 nan 0.000 0.426 209 V N 4.723 124.419 119.914 -0.363 0.000 2.383 209 V HA 0.344 4.464 4.120 -0.000 0.000 0.275 209 V C -0.016 176.049 176.094 -0.048 0.000 1.036 209 V CA -0.623 61.584 62.300 -0.155 0.000 0.889 209 V CB 0.816 32.670 31.823 0.051 0.000 0.985 209 V HN 0.619 nan 8.190 nan 0.000 0.459 210 I N 5.314 125.876 120.570 -0.014 0.000 2.331 210 I HA 0.385 4.555 4.170 -0.000 0.000 0.292 210 I C -0.397 175.724 176.117 0.007 0.000 0.998 210 I CA -0.558 60.731 61.300 -0.018 0.000 1.267 210 I CB 1.813 39.800 38.000 -0.022 0.000 1.386 210 I HN 0.262 nan 8.210 nan 0.000 0.476 211 V N 5.841 125.760 119.914 0.008 0.000 2.357 211 V HA 0.317 4.437 4.120 -0.000 0.000 0.284 211 V C 0.156 176.264 176.094 0.024 0.000 1.018 211 V CA -0.380 61.937 62.300 0.029 0.000 0.841 211 V CB 1.550 33.399 31.823 0.042 0.000 0.991 211 V HN 0.883 nan 8.190 nan 0.000 0.437 212 S N 3.386 119.113 115.700 0.046 0.000 2.638 212 S HA 0.811 5.281 4.470 -0.000 0.000 0.298 212 S C -0.287 174.348 174.600 0.059 0.000 1.111 212 S CA -0.691 57.529 58.200 0.033 0.000 1.027 212 S CB 1.950 65.201 63.200 0.086 0.000 1.064 212 S HN 0.712 nan 8.310 nan 0.000 0.525 213 S N 0.586 116.263 115.700 -0.039 0.000 2.614 213 S HA 0.502 4.972 4.470 -0.000 0.000 0.288 213 S C -1.930 172.568 174.600 -0.170 0.000 1.137 213 S CA -0.650 57.549 58.200 -0.002 0.000 0.992 213 S CB 0.371 63.563 63.200 -0.012 0.000 1.026 213 S HN 0.794 nan 8.310 nan 0.000 0.486 214 H N 3.082 122.098 119.070 -0.089 0.000 2.511 214 H HA 0.495 5.051 4.556 -0.000 0.000 0.328 214 H C -0.181 174.939 175.328 -0.346 0.000 1.044 214 H CA -0.546 55.333 56.048 -0.281 0.000 1.212 214 H CB 1.097 30.639 29.762 -0.366 0.000 1.428 214 H HN 0.490 nan 8.280 nan 0.000 0.483 215 N N 3.385 121.905 118.700 -0.301 0.000 2.511 215 N HA 0.035 4.774 4.740 -0.000 0.000 0.249 215 N C -0.606 174.750 175.510 -0.257 0.000 0.971 215 N CA -0.290 52.649 53.050 -0.185 0.000 0.938 215 N CB 0.463 38.895 38.487 -0.091 0.000 1.131 215 N HN 0.546 nan 8.380 nan 0.000 0.505 216 Y N 1.733 122.073 120.300 0.066 0.000 2.490 216 Y HA 0.118 4.667 4.550 -0.000 0.000 0.281 216 Y C 1.474 177.395 175.900 0.034 0.000 1.174 216 Y CA 0.157 58.288 58.100 0.051 0.000 1.295 216 Y CB 0.593 39.082 38.460 0.048 0.000 1.062 216 Y HN 0.515 nan 8.280 nan 0.000 0.522 217 Q N 0.172 120.050 119.800 0.130 0.000 2.287 217 Q HA 0.101 4.440 4.340 -0.000 0.000 0.201 217 Q C 0.589 176.619 176.000 0.049 0.000 0.946 217 Q CA 0.759 56.615 55.803 0.087 0.000 0.868 217 Q CB 0.339 29.119 28.738 0.070 0.000 0.967 217 Q HN 0.437 nan 8.270 nan 0.000 0.516 218 N N -1.946 116.769 118.700 0.025 0.000 3.517 218 N HA 0.191 4.931 4.740 -0.000 0.000 0.329 218 N C -1.299 174.202 175.510 -0.014 0.000 1.569 218 N CA -0.541 52.514 53.050 0.007 0.000 0.852 218 N CB 0.695 39.186 38.487 0.007 0.000 1.955 218 N HN -0.201 nan 8.380 nan 0.000 0.555 219 T N 1.533 116.074 114.554 -0.022 0.000 2.864 219 T HA 0.537 4.887 4.350 -0.000 0.000 0.310 219 T C -2.596 172.085 174.700 -0.032 0.000 1.040 219 T CA -0.642 61.437 62.100 -0.036 0.000 0.977 219 T CB 1.266 70.105 68.868 -0.049 0.000 0.976 219 T HN 0.329 nan 8.240 nan 0.000 0.459 220 P HA 0.093 nan 4.420 nan 0.000 0.271 220 P C 0.163 177.448 177.300 -0.025 0.000 1.238 220 P CA -0.363 62.725 63.100 -0.021 0.000 0.794 220 P CB 0.385 32.075 31.700 -0.015 0.000 0.959 221 S N -0.695 114.993 115.700 -0.020 0.000 2.589 221 S HA 0.042 4.512 4.470 -0.000 0.000 0.265 221 S C 1.352 175.946 174.600 -0.010 0.000 1.342 221 S CA -0.602 57.585 58.200 -0.022 0.000 1.005 221 S CB -0.068 63.120 63.200 -0.020 0.000 0.909 221 S HN 0.187 nan 8.310 nan 0.000 0.555 222 V N 1.297 121.209 119.914 -0.003 0.000 2.392 222 V HA -0.192 3.928 4.120 -0.000 0.000 0.249 222 V C 2.743 178.854 176.094 0.027 0.000 1.059 222 V CA 2.345 64.665 62.300 0.034 0.000 1.051 222 V CB -1.345 30.514 31.823 0.060 0.000 0.658 222 V HN 1.052 nan 8.190 nan 0.000 0.455 223 E N 0.346 120.553 120.200 0.011 0.000 2.023 223 E HA -0.295 4.055 4.350 -0.000 0.000 0.196 223 E C 1.863 178.467 176.600 0.006 0.000 1.003 223 E CA 1.910 58.315 56.400 0.009 0.000 0.809 223 E CB -0.167 29.534 29.700 0.001 0.000 0.755 223 E HN 0.594 nan 8.360 nan 0.000 0.449 224 D N 0.513 120.914 120.400 0.002 0.000 2.144 224 D HA -0.129 4.511 4.640 -0.000 0.000 0.200 224 D C 2.199 178.499 176.300 0.000 0.000 0.978 224 D CA 0.731 54.731 54.000 0.000 0.000 0.833 224 D CB -0.203 40.596 40.800 -0.002 0.000 0.961 224 D HN 0.279 nan 8.370 nan 0.000 0.470 225 L N 0.750 121.973 121.223 -0.000 0.000 2.046 225 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 225 L C 1.984 178.854 176.870 -0.000 0.000 1.077 225 L CA 1.009 55.847 54.840 -0.003 0.000 0.747 225 L CB -0.241 41.818 42.059 -0.001 0.000 0.896 225 L HN -0.102 nan 8.230 nan 0.000 0.432 226 D N 0.062 120.466 120.400 0.006 0.000 2.117 226 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 226 D C 2.131 178.433 176.300 0.003 0.000 0.987 226 D CA 1.465 55.468 54.000 0.003 0.000 0.829 226 D CB -0.388 40.418 40.800 0.010 0.000 0.961 226 D HN 0.313 nan 8.370 nan 0.000 0.460 227 G N 0.795 109.597 108.800 0.005 0.000 2.440 227 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 227 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 227 G C 1.570 176.473 174.900 0.006 0.000 1.154 227 G CA 0.671 45.774 45.100 0.005 0.000 0.767 227 G HN 0.237 nan 8.290 nan 0.000 0.552 228 L N 0.822 122.047 121.223 0.003 0.000 2.017 228 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 228 L C 2.999 179.870 176.870 0.002 0.000 1.073 228 L CA 1.425 56.267 54.840 0.003 0.000 0.745 228 L CB -0.707 41.350 42.059 -0.003 0.000 0.894 228 L HN 0.099 nan 8.230 nan 0.000 0.432 229 V N 0.127 120.040 119.914 -0.002 0.000 2.287 229 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 229 V C 2.806 178.901 176.094 0.001 0.000 1.053 229 V CA 1.786 64.084 62.300 -0.004 0.000 1.027 229 V CB -1.450 30.367 31.823 -0.009 0.000 0.646 229 V HN 0.620 nan 8.190 nan 0.000 0.447 230 A N -0.179 122.643 122.820 0.003 0.000 1.883 230 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 230 A C 2.363 179.953 177.584 0.011 0.000 1.186 230 A CA 1.994 54.035 52.037 0.006 0.000 0.624 230 A CB -0.535 18.468 19.000 0.006 0.000 0.822 230 A HN 0.520 nan 8.150 nan 0.000 0.444 231 R N -0.559 119.949 120.500 0.013 0.000 2.083 231 R HA -0.102 4.238 4.340 -0.000 0.000 0.237 231 R C 2.031 178.345 176.300 0.024 0.000 1.137 231 R CA 1.751 57.862 56.100 0.019 0.000 0.951 231 R CB -0.535 29.777 30.300 0.020 0.000 0.851 231 R HN 0.593 nan 8.270 nan 0.000 0.434 232 I N 0.715 121.297 120.570 0.021 0.000 2.226 232 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 232 I C 2.489 178.619 176.117 0.022 0.000 1.100 232 I CA 1.394 62.708 61.300 0.024 0.000 1.374 232 I CB -0.337 37.671 38.000 0.013 0.000 1.057 232 I HN 0.266 nan 8.210 nan 0.000 0.413 233 Q N 0.179 119.987 119.800 0.014 0.000 2.084 233 Q HA -0.241 4.099 4.340 -0.000 0.000 0.202 233 Q C 2.246 178.258 176.000 0.021 0.000 0.978 233 Q CA 1.213 57.024 55.803 0.013 0.000 0.844 233 Q CB -0.098 28.644 28.738 0.007 0.000 0.898 233 Q HN 0.437 nan 8.270 nan 0.000 0.426 234 Q N -0.369 119.444 119.800 0.022 0.000 2.297 234 Q HA -0.130 4.210 4.340 -0.000 0.000 0.208 234 Q C 2.046 178.067 176.000 0.034 0.000 0.981 234 Q CA 1.732 57.550 55.803 0.025 0.000 0.876 234 Q CB -0.197 28.554 28.738 0.023 0.000 0.921 234 Q HN 0.560 nan 8.270 nan 0.000 0.446 235 T N -4.342 110.238 114.554 0.042 0.000 3.055 235 T HA 0.151 4.501 4.350 -0.000 0.000 0.265 235 T C 1.293 176.032 174.700 0.065 0.000 1.111 235 T CA 1.007 63.143 62.100 0.059 0.000 1.118 235 T CB 0.222 69.134 68.868 0.074 0.000 0.909 235 T HN 0.358 nan 8.240 nan 0.000 0.501 236 G N 0.965 109.796 108.800 0.051 0.000 2.138 236 G HA2 0.101 4.061 3.960 -0.000 0.000 0.193 236 G HA3 0.101 4.061 3.960 -0.000 0.000 0.193 236 G C 0.204 175.135 174.900 0.052 0.000 0.998 236 G CA -0.165 44.965 45.100 0.051 0.000 0.668 236 G HN 1.085 nan 8.290 nan 0.000 0.516 237 A N 0.073 122.919 122.820 0.045 0.000 2.498 237 A HA 0.516 4.836 4.320 -0.000 0.000 0.239 237 A C 1.218 178.803 177.584 0.001 0.000 1.068 237 A CA 0.888 52.943 52.037 0.030 0.000 0.766 237 A CB 0.325 19.337 19.000 0.019 0.000 1.003 237 A HN 0.216 nan 8.150 nan 0.000 0.497 238 D N 0.647 121.034 120.400 -0.021 0.000 2.249 238 D HA 0.123 4.763 4.640 -0.000 0.000 0.205 238 D C 0.204 176.450 176.300 -0.089 0.000 0.962 238 D CA 1.358 55.329 54.000 -0.048 0.000 0.860 238 D CB 0.187 40.946 40.800 -0.069 0.000 0.955 238 D HN 0.547 nan 8.370 nan 0.000 0.505 239 I N 0.752 121.259 120.570 -0.104 0.000 2.619 239 I HA 0.163 4.333 4.170 -0.000 0.000 0.292 239 I C -0.716 175.342 176.117 -0.099 0.000 1.100 239 I CA -0.875 60.326 61.300 -0.165 0.000 1.043 239 I CB 3.252 41.070 38.000 -0.304 0.000 1.239 239 I HN -0.408 nan 8.210 nan 0.000 0.420 240 V N 5.585 125.450 119.914 -0.083 0.000 2.407 240 V HA 0.346 4.466 4.120 -0.000 0.000 0.278 240 V C -0.011 176.060 176.094 -0.038 0.000 1.037 240 V CA -0.482 61.792 62.300 -0.043 0.000 0.900 240 V CB 1.493 33.300 31.823 -0.027 0.000 0.983 240 V HN 0.611 nan 8.190 nan 0.000 0.459 241 K N 5.792 126.173 120.400 -0.032 0.000 2.450 241 K HA 0.649 4.969 4.320 -0.000 0.000 0.257 241 K C -1.501 175.051 176.600 -0.079 0.000 0.953 241 K CA -0.542 55.724 56.287 -0.034 0.000 0.844 241 K CB 1.274 33.766 32.500 -0.013 0.000 1.103 241 K HN 0.639 nan 8.250 nan 0.000 0.429 242 I N 3.487 124.007 120.570 -0.084 0.000 2.439 242 I HA 0.350 4.520 4.170 -0.000 0.000 0.285 242 I C -0.708 175.315 176.117 -0.156 0.000 1.021 242 I CA -0.819 60.407 61.300 -0.124 0.000 1.091 242 I CB 1.974 39.932 38.000 -0.069 0.000 1.242 242 I HN 0.643 nan 8.210 nan 0.000 0.439 243 A N 4.843 127.491 122.820 -0.286 0.000 2.287 243 A HA 0.807 5.127 4.320 -0.000 0.000 0.317 243 A C 0.018 177.464 177.584 -0.230 0.000 1.220 243 A CA -0.408 51.471 52.037 -0.263 0.000 0.835 243 A CB 0.916 19.668 19.000 -0.415 0.000 1.180 243 A HN 0.711 nan 8.150 nan 0.000 0.500 244 T N -0.866 113.603 114.554 -0.143 0.000 2.841 244 T HA 0.809 5.158 4.350 -0.000 0.000 0.276 244 T C -0.030 174.622 174.700 -0.081 0.000 1.003 244 T CA -0.584 61.446 62.100 -0.117 0.000 0.995 244 T CB 1.523 70.343 68.868 -0.081 0.000 1.260 244 T HN 0.416 nan 8.240 nan 0.000 0.581 245 T N 1.094 115.619 114.554 -0.047 0.000 2.856 245 T HA 0.701 5.050 4.350 -0.000 0.000 0.283 245 T C -0.366 174.332 174.700 -0.003 0.000 1.008 245 T CA -0.610 61.487 62.100 -0.005 0.000 0.997 245 T CB 1.265 70.152 68.868 0.032 0.000 0.992 245 T HN 0.973 nan 8.240 nan 0.000 0.454 246 A N 2.694 125.519 122.820 0.008 0.000 2.279 246 A HA 0.518 4.838 4.320 -0.000 0.000 0.306 246 A C 1.092 178.688 177.584 0.020 0.000 1.300 246 A CA -0.490 51.551 52.037 0.007 0.000 0.925 246 A CB -0.015 18.992 19.000 0.012 0.000 1.152 246 A HN 0.744 nan 8.150 nan 0.000 0.544 247 V N 2.046 121.969 119.914 0.015 0.000 2.725 247 V HA 0.037 4.157 4.120 -0.000 0.000 0.247 247 V C 0.655 176.764 176.094 0.025 0.000 1.058 247 V CA 1.930 64.243 62.300 0.021 0.000 1.080 247 V CB -0.407 31.425 31.823 0.014 0.000 0.713 247 V HN 0.936 nan 8.190 nan 0.000 0.465 248 D N -2.468 117.947 120.400 0.025 0.000 2.756 248 D HA 0.312 4.952 4.640 -0.000 0.000 0.226 248 D C 0.568 176.903 176.300 0.058 0.000 1.186 248 D CA -0.584 53.441 54.000 0.041 0.000 0.845 248 D CB 1.738 42.558 40.800 0.033 0.000 1.610 248 D HN -0.027 nan 8.370 nan 0.000 0.465 249 I N 2.306 122.936 120.570 0.100 0.000 2.423 249 I HA -0.173 3.997 4.170 -0.000 0.000 0.254 249 I C 1.817 178.075 176.117 0.234 0.000 1.151 249 I CA 1.450 62.844 61.300 0.156 0.000 1.421 249 I CB 0.092 38.208 38.000 0.194 0.000 1.079 249 I HN 0.566 nan 8.210 nan 0.000 0.431 250 A N 0.207 123.137 122.820 0.183 0.000 2.076 250 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 250 A C 1.738 179.275 177.584 -0.078 0.000 1.160 250 A CA 1.966 54.017 52.037 0.023 0.000 0.653 250 A CB -0.614 18.344 19.000 -0.071 0.000 0.801 250 A HN 0.470 nan 8.150 nan 0.000 0.455 251 D N -0.104 120.278 120.400 -0.031 0.000 2.144 251 D HA -0.112 4.528 4.640 -0.000 0.000 0.199 251 D C 1.992 178.220 176.300 -0.120 0.000 0.984 251 D CA 1.336 55.292 54.000 -0.072 0.000 0.834 251 D CB -0.511 40.261 40.800 -0.046 0.000 0.955 251 D HN 0.246 nan 8.370 nan 0.000 0.465 252 V N 1.575 121.421 119.914 -0.113 0.000 2.324 252 V HA -0.305 3.815 4.120 -0.000 0.000 0.250 252 V C 2.572 178.392 176.094 -0.457 0.000 1.060 252 V CA 1.850 63.960 62.300 -0.316 0.000 1.042 252 V CB -0.983 30.643 31.823 -0.328 0.000 0.650 252 V HN 0.218 nan 8.190 nan 0.000 0.450 253 A N -0.081 122.605 122.820 -0.223 0.000 1.958 253 A HA -0.286 4.034 4.320 -0.000 0.000 0.221 253 A C 2.389 179.880 177.584 -0.154 0.000 1.178 253 A CA 2.157 54.073 52.037 -0.201 0.000 0.642 253 A CB -0.529 18.179 19.000 -0.487 0.000 0.816 253 A HN 0.563 nan 8.150 nan 0.000 0.453 254 R N -2.110 118.295 120.500 -0.158 0.000 2.090 254 R HA -0.056 4.284 4.340 -0.000 0.000 0.228 254 R C 2.142 178.426 176.300 -0.027 0.000 1.110 254 R CA 1.480 57.539 56.100 -0.068 0.000 0.973 254 R CB -0.342 29.913 30.300 -0.076 0.000 0.869 254 R HN 0.560 nan 8.270 nan 0.000 0.440 255 M N 0.045 119.575 119.600 -0.117 0.000 2.200 255 M HA -0.051 4.429 4.480 -0.000 0.000 0.265 255 M C 1.412 177.725 176.300 0.021 0.000 1.066 255 M CA 1.545 56.794 55.300 -0.084 0.000 1.127 255 M CB -0.204 32.300 32.600 -0.161 0.000 1.379 255 M HN -0.067 nan 8.290 nan 0.000 0.420 256 F N -0.644 119.247 119.950 -0.099 0.000 2.171 256 F HA -0.164 4.363 4.527 -0.000 0.000 0.300 256 F C 2.621 178.365 175.800 -0.094 0.000 1.090 256 F CA 1.710 59.573 58.000 -0.229 0.000 1.293 256 F CB -1.688 36.849 39.000 -0.771 0.000 1.013 256 F HN 0.379 nan 8.300 nan 0.000 0.486 257 H N 0.081 119.181 119.070 0.050 0.000 2.387 257 H HA -0.115 4.441 4.556 -0.000 0.000 0.299 257 H C 2.122 177.481 175.328 0.051 0.000 1.090 257 H CA 1.655 57.725 56.048 0.037 0.000 1.332 257 H CB -0.136 29.622 29.762 -0.007 0.000 1.386 257 H HN 0.009 nan 8.280 nan 0.000 0.516 258 I N 0.478 121.042 120.570 -0.010 0.000 2.202 258 I HA -0.209 3.961 4.170 -0.000 0.000 0.242 258 I C 2.553 178.658 176.117 -0.021 0.000 1.091 258 I CA 1.807 63.070 61.300 -0.061 0.000 1.368 258 I CB -1.640 36.356 38.000 -0.006 0.000 1.058 258 I HN 0.519 nan 8.210 nan 0.000 0.410 259 T N -2.325 112.267 114.554 0.064 0.000 2.857 259 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 259 T C 2.081 176.836 174.700 0.090 0.000 1.048 259 T CA 1.492 63.651 62.100 0.099 0.000 1.139 259 T CB -0.569 68.406 68.868 0.180 0.000 0.874 259 T HN 0.204 nan 8.240 nan 0.000 0.455 260 S N 0.727 116.493 115.700 0.110 0.000 2.423 260 S HA -0.008 4.462 4.470 -0.000 0.000 0.231 260 S C 1.784 176.396 174.600 0.019 0.000 1.014 260 S CA 0.599 58.867 58.200 0.112 0.000 0.965 260 S CB -0.222 63.109 63.200 0.219 0.000 0.785 260 S HN 0.383 nan 8.310 nan 0.000 0.495 261 K N 0.580 120.932 120.400 -0.079 0.000 2.425 261 K HA 0.417 4.737 4.320 -0.000 0.000 0.201 261 K C 0.445 176.993 176.600 -0.088 0.000 1.128 261 K CA 0.359 56.576 56.287 -0.116 0.000 1.000 261 K CB -0.036 32.302 32.500 -0.270 0.000 0.961 261 K HN 0.299 nan 8.250 nan 0.000 0.555 262 A N 2.252 125.027 122.820 -0.075 0.000 2.492 262 A HA 0.060 4.380 4.320 -0.000 0.000 0.254 262 A C 0.078 177.652 177.584 -0.017 0.000 1.091 262 A CA 0.065 52.075 52.037 -0.044 0.000 0.768 262 A CB -0.032 18.949 19.000 -0.030 0.000 1.028 262 A HN 0.208 nan 8.150 nan 0.000 0.498 263 Q N 1.353 121.145 119.800 -0.014 0.000 3.170 263 Q HA 0.394 4.734 4.340 -0.000 0.000 0.346 263 Q C -0.644 175.357 176.000 0.001 0.000 1.333 263 Q CA -0.005 55.796 55.803 -0.003 0.000 0.958 263 Q CB 0.132 28.868 28.738 -0.003 0.000 1.600 263 Q HN 0.515 nan 8.270 nan 0.000 0.482 264 V N 0.349 120.265 119.914 0.004 0.000 3.036 264 V HA 0.299 4.419 4.120 -0.000 0.000 0.288 264 V C -2.793 173.302 176.094 0.001 0.000 1.407 264 V CA -2.224 60.075 62.300 -0.001 0.000 0.983 264 V CB 2.518 34.335 31.823 -0.010 0.000 1.128 264 V HN 0.205 nan 8.190 nan 0.000 0.439 265 P HA 0.228 nan 4.420 nan 0.000 0.258 265 P C -0.944 176.330 177.300 -0.043 0.000 1.172 265 P CA 0.694 63.783 63.100 -0.018 0.000 0.762 265 P CB 0.157 31.762 31.700 -0.157 0.000 0.764 266 T N 4.699 119.278 114.554 0.042 0.000 2.879 266 T HA 0.474 4.824 4.350 -0.000 0.000 0.290 266 T C 0.070 174.827 174.700 0.096 0.000 0.993 266 T CA -0.393 61.729 62.100 0.038 0.000 0.975 266 T CB 0.679 69.570 68.868 0.037 0.000 0.981 266 T HN 0.159 nan 8.240 nan 0.000 0.439 267 I N 2.990 123.599 120.570 0.065 0.000 2.291 267 I HA 0.486 4.655 4.170 -0.000 0.000 0.290 267 I C 0.748 176.909 176.117 0.072 0.000 1.050 267 I CA -0.376 60.982 61.300 0.096 0.000 1.245 267 I CB 0.914 38.962 38.000 0.080 0.000 1.405 267 I HN 0.733 nan 8.210 nan 0.000 0.478 268 G N 7.783 116.641 108.800 0.096 0.000 2.574 268 G HA2 0.731 4.691 3.960 -0.000 0.000 0.306 268 G HA3 0.731 4.691 3.960 -0.000 0.000 0.306 268 G C -0.948 174.003 174.900 0.086 0.000 1.334 268 G CA -0.313 44.829 45.100 0.070 0.000 0.954 268 G HN 0.407 nan 8.290 nan 0.000 0.500 269 L N 1.698 122.950 121.223 0.047 0.000 2.371 269 L HA 0.641 4.981 4.340 -0.000 0.000 0.262 269 L C -0.636 176.230 176.870 -0.006 0.000 1.006 269 L CA -1.311 53.562 54.840 0.055 0.000 0.818 269 L CB 2.776 44.904 42.059 0.114 0.000 1.354 269 L HN 0.194 nan 8.230 nan 0.000 0.415 270 V N 2.407 122.314 119.914 -0.011 0.000 2.407 270 V HA 0.422 4.542 4.120 -0.000 0.000 0.291 270 V C 0.248 176.344 176.094 0.003 0.000 1.018 270 V CA -0.437 61.843 62.300 -0.033 0.000 0.842 270 V CB 1.590 33.370 31.823 -0.072 0.000 0.996 270 V HN 0.696 nan 8.190 nan 0.000 0.426 271 M N 3.128 122.732 119.600 0.007 0.000 2.202 271 M HA 0.624 5.104 4.480 -0.000 0.000 0.316 271 M C 0.881 177.208 176.300 0.044 0.000 1.138 271 M CA 0.813 56.136 55.300 0.038 0.000 1.151 271 M CB 0.823 33.456 32.600 0.054 0.000 1.422 271 M HN 0.926 nan 8.290 nan 0.000 0.471 272 G N 0.759 109.592 108.800 0.056 0.000 2.663 272 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.686 272 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.686 272 G C -0.011 174.921 174.900 0.054 0.000 1.246 272 G CA -0.045 45.087 45.100 0.054 0.000 0.795 272 G HN 0.923 nan 8.290 nan 0.000 0.627 273 E N 0.031 120.264 120.200 0.054 0.000 2.085 273 E HA -0.162 4.188 4.350 -0.000 0.000 0.194 273 E C 2.450 179.089 176.600 0.065 0.000 0.994 273 E CA 1.403 57.840 56.400 0.062 0.000 0.801 273 E CB -0.062 29.673 29.700 0.059 0.000 0.743 273 E HN 0.549 nan 8.360 nan 0.000 0.453 274 R N -0.925 119.608 120.500 0.055 0.000 2.293 274 R HA -0.055 4.285 4.340 -0.000 0.000 0.219 274 R C 1.850 178.178 176.300 0.047 0.000 1.091 274 R CA 0.771 56.904 56.100 0.054 0.000 1.004 274 R CB 0.035 30.364 30.300 0.049 0.000 0.865 274 R HN 0.164 nan 8.270 nan 0.000 0.469 275 G N -0.057 108.767 108.800 0.040 0.000 3.159 275 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.232 275 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.232 275 G C 1.074 175.998 174.900 0.040 0.000 1.116 275 G CA -0.341 44.771 45.100 0.019 0.000 0.767 275 G HN 0.098 nan 8.290 nan 0.000 0.547 276 L N 0.956 122.219 121.223 0.067 0.000 2.051 276 L HA -0.101 4.239 4.340 -0.000 0.000 0.214 276 L C 2.567 179.490 176.870 0.088 0.000 1.076 276 L CA 2.439 57.329 54.840 0.084 0.000 0.758 276 L CB -0.346 41.775 42.059 0.104 0.000 0.890 276 L HN 0.335 nan 8.230 nan 0.000 0.433 277 M N -1.074 118.587 119.600 0.101 0.000 2.260 277 M HA -0.227 4.252 4.480 -0.000 0.000 0.261 277 M C 2.189 178.670 176.300 0.301 0.000 1.066 277 M CA 2.134 57.536 55.300 0.171 0.000 1.082 277 M CB -0.208 32.509 32.600 0.195 0.000 1.388 277 M HN 0.602 nan 8.290 nan 0.000 0.419 278 S N -0.145 115.648 115.700 0.156 0.000 2.453 278 S HA -0.073 4.397 4.470 -0.000 0.000 0.231 278 S C 1.732 176.509 174.600 0.296 0.000 1.005 278 S CA 0.662 58.969 58.200 0.178 0.000 0.949 278 S CB -0.422 62.714 63.200 -0.106 0.000 0.774 278 S HN 0.647 nan 8.310 nan 0.000 0.510 279 R N 0.170 120.795 120.500 0.208 0.000 2.200 279 R HA 0.370 4.710 4.340 -0.000 0.000 0.208 279 R C 1.802 178.252 176.300 0.250 0.000 1.033 279 R CA 0.930 57.152 56.100 0.203 0.000 1.000 279 R CB -0.223 30.165 30.300 0.146 0.000 0.906 279 R HN 0.475 nan 8.270 nan 0.000 0.462 280 I N 0.215 120.916 120.570 0.218 0.000 2.731 280 I HA -0.088 4.082 4.170 -0.000 0.000 0.260 280 I C 1.267 177.515 176.117 0.219 0.000 1.138 280 I CA 0.772 62.192 61.300 0.201 0.000 1.461 280 I CB 0.223 38.156 38.000 -0.112 0.000 1.128 280 I HN 0.049 nan 8.210 nan 0.000 0.438 281 L N 0.192 121.543 121.223 0.214 0.000 2.728 281 L HA 0.106 4.446 4.340 -0.000 0.000 0.235 281 L C 1.872 178.753 176.870 0.018 0.000 1.197 281 L CA -0.397 54.469 54.840 0.042 0.000 0.992 281 L CB -0.430 41.653 42.059 0.040 0.000 1.263 281 L HN 0.330 nan 8.230 nan 0.000 0.484 282 C N -0.631 118.758 119.300 0.147 0.000 2.403 282 C HA -0.187 4.273 4.460 -0.000 0.000 0.277 282 C C 2.933 177.898 174.990 -0.041 0.000 1.248 282 C CA 1.185 60.292 59.018 0.149 0.000 1.762 282 C CB -0.709 27.181 27.740 0.250 0.000 2.014 282 C HN 0.571 nan 8.230 nan 0.000 0.486 283 S N -0.117 115.426 115.700 -0.261 0.000 2.453 283 S HA -0.135 4.335 4.470 -0.000 0.000 0.231 283 S C 1.919 176.322 174.600 -0.329 0.000 1.005 283 S CA 1.074 59.085 58.200 -0.316 0.000 0.949 283 S CB -0.229 62.674 63.200 -0.495 0.000 0.774 283 S HN 0.747 nan 8.310 nan 0.000 0.510 284 K N 0.081 120.217 120.400 -0.439 0.000 2.186 284 K HA 0.073 4.392 4.320 -0.000 0.000 0.202 284 K C 0.272 176.430 176.600 -0.737 0.000 1.052 284 K CA 0.920 56.809 56.287 -0.662 0.000 0.965 284 K CB -0.007 31.917 32.500 -0.961 0.000 0.746 284 K HN 0.278 nan 8.250 nan 0.000 0.457 285 F N 0.065 119.855 119.950 -0.267 0.000 2.647 285 F HA 0.335 4.861 4.527 -0.000 0.000 0.300 285 F C 1.093 176.858 175.800 -0.058 0.000 1.106 285 F CA 0.177 58.062 58.000 -0.192 0.000 1.313 285 F CB 1.141 39.941 39.000 -0.334 0.000 1.007 285 F HN 0.270 nan 8.300 nan 0.000 0.536 286 G N -0.001 108.834 108.800 0.058 0.000 2.176 286 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.253 286 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.253 286 G C 0.804 175.766 174.900 0.104 0.000 0.979 286 G CA -0.237 44.904 45.100 0.068 0.000 0.641 286 G HN 0.750 nan 8.290 nan 0.000 0.530 287 G N -0.783 108.096 108.800 0.132 0.000 2.380 287 G HA2 0.368 4.328 3.960 -0.000 0.000 0.242 287 G HA3 0.368 4.328 3.960 -0.000 0.000 0.242 287 G C 0.504 175.483 174.900 0.132 0.000 1.298 287 G CA 0.538 45.731 45.100 0.155 0.000 0.878 287 G HN 0.615 nan 8.290 nan 0.000 0.542 288 Y N 2.471 122.788 120.300 0.029 0.000 2.314 288 Y HA 0.204 4.754 4.550 -0.000 0.000 0.293 288 Y C 0.760 176.646 175.900 -0.023 0.000 1.129 288 Y CA 1.293 59.396 58.100 0.004 0.000 1.201 288 Y CB 0.199 38.655 38.460 -0.007 0.000 0.999 288 Y HN 0.573 nan 8.280 nan 0.000 0.541 289 L N -2.852 118.391 121.223 0.033 0.000 2.775 289 L HA 0.610 4.950 4.340 -0.000 0.000 0.263 289 L C -1.154 175.642 176.870 -0.123 0.000 1.017 289 L CA -0.729 54.036 54.840 -0.124 0.000 0.891 289 L CB 1.703 43.620 42.059 -0.237 0.000 1.482 289 L HN -0.279 nan 8.230 nan 0.000 0.410 290 T N 0.426 114.854 114.554 -0.211 0.000 2.906 290 T HA 0.792 5.142 4.350 -0.000 0.000 0.295 290 T C -1.491 172.995 174.700 -0.357 0.000 1.061 290 T CA -0.238 61.765 62.100 -0.161 0.000 1.000 290 T CB 0.634 69.503 68.868 0.001 0.000 1.103 290 T HN 0.443 nan 8.240 nan 0.000 0.486 291 F N 1.566 121.497 119.950 -0.032 0.000 2.420 291 F HA 0.647 5.174 4.527 -0.000 0.000 0.342 291 F C 1.058 176.823 175.800 -0.059 0.000 1.113 291 F CA -0.381 57.591 58.000 -0.047 0.000 1.059 291 F CB 1.803 40.793 39.000 -0.017 0.000 1.128 291 F HN 0.649 nan 8.300 nan 0.000 0.475 292 G N 0.950 109.799 108.800 0.082 0.000 2.566 292 G HA2 0.524 4.483 3.960 -0.000 0.000 0.311 292 G HA3 0.524 4.483 3.960 -0.000 0.000 0.311 292 G C -0.789 174.136 174.900 0.042 0.000 1.322 292 G CA -0.861 44.256 45.100 0.029 0.000 0.969 292 G HN 0.629 nan 8.290 nan 0.000 0.490 293 T N 0.443 115.020 114.554 0.038 0.000 2.910 293 T HA 0.274 4.624 4.350 -0.000 0.000 0.293 293 T C 1.619 176.322 174.700 0.004 0.000 1.015 293 T CA -0.685 61.424 62.100 0.015 0.000 1.094 293 T CB 1.299 70.170 68.868 0.005 0.000 0.968 293 T HN 0.254 nan 8.240 nan 0.000 0.521 294 L N 1.059 122.277 121.223 -0.010 0.000 2.131 294 L HA 0.112 4.452 4.340 -0.000 0.000 0.210 294 L C 1.142 178.008 176.870 -0.006 0.000 1.092 294 L CA 1.208 56.042 54.840 -0.009 0.000 0.759 294 L CB -0.427 41.621 42.059 -0.019 0.000 0.903 294 L HN 0.898 nan 8.230 nan 0.000 0.435 295 D N -3.178 117.215 120.400 -0.011 0.000 2.648 295 D HA -0.012 4.628 4.640 -0.000 0.000 0.244 295 D C 0.197 176.490 176.300 -0.012 0.000 1.244 295 D CA 0.103 54.098 54.000 -0.007 0.000 0.772 295 D CB 1.153 41.945 40.800 -0.014 0.000 1.379 295 D HN -0.089 nan 8.370 nan 0.000 0.428 296 S N -0.156 115.540 115.700 -0.006 0.000 2.559 296 S HA -0.168 4.302 4.470 -0.000 0.000 0.250 296 S C 1.296 175.879 174.600 -0.028 0.000 0.977 296 S CA 1.232 59.425 58.200 -0.011 0.000 0.958 296 S CB -0.747 62.444 63.200 -0.015 0.000 0.751 296 S HN 0.588 nan 8.310 nan 0.000 0.534 297 S N -0.460 115.216 115.700 -0.040 0.000 2.603 297 S HA 0.322 4.792 4.470 -0.000 0.000 0.232 297 S C 0.282 174.831 174.600 -0.086 0.000 1.016 297 S CA -0.766 57.399 58.200 -0.057 0.000 0.976 297 S CB -0.044 63.124 63.200 -0.053 0.000 0.921 297 S HN 0.393 nan 8.310 nan 0.000 0.516 298 K N 2.232 122.580 120.400 -0.087 0.000 2.805 298 K HA 0.435 4.755 4.320 -0.000 0.000 0.227 298 K C -1.144 175.379 176.600 -0.129 0.000 1.207 298 K CA -0.218 55.989 56.287 -0.132 0.000 1.153 298 K CB 1.214 33.643 32.500 -0.118 0.000 1.688 298 K HN 0.145 nan 8.250 nan 0.000 0.467 299 V N 1.888 121.728 119.914 -0.123 0.000 2.498 299 V HA 0.003 4.123 4.120 -0.000 0.000 0.279 299 V C 1.230 177.244 176.094 -0.134 0.000 1.048 299 V CA 0.075 62.319 62.300 -0.094 0.000 0.967 299 V CB 1.468 33.261 31.823 -0.051 0.000 0.988 299 V HN 0.614 nan 8.190 nan 0.000 0.473 300 S N 2.917 118.544 115.700 -0.121 0.000 2.511 300 S HA 0.562 5.031 4.470 -0.000 0.000 0.214 300 S C 0.438 175.012 174.600 -0.044 0.000 0.997 300 S CA 0.318 58.447 58.200 -0.118 0.000 0.908 300 S CB 0.457 63.559 63.200 -0.163 0.000 0.803 300 S HN 1.213 nan 8.310 nan 0.000 0.504 301 A N 1.283 124.083 122.820 -0.033 0.000 2.555 301 A HA 0.706 5.026 4.320 -0.000 0.000 0.297 301 A C -3.354 174.250 177.584 0.034 0.000 1.060 301 A CA -1.524 50.527 52.037 0.023 0.000 0.710 301 A CB 0.517 19.524 19.000 0.011 0.000 1.282 301 A HN 0.117 nan 8.150 nan 0.000 0.399 302 P HA 0.295 nan 4.420 nan 0.000 0.261 302 P C 1.167 178.501 177.300 0.057 0.000 1.173 302 P CA 2.311 65.442 63.100 0.053 0.000 0.760 302 P CB 0.601 32.340 31.700 0.066 0.000 0.783 303 G N 1.668 110.501 108.800 0.055 0.000 2.195 303 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.246 303 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.246 303 G C 0.095 175.046 174.900 0.086 0.000 0.984 303 G CA -0.406 44.736 45.100 0.070 0.000 0.633 303 G HN 0.582 nan 8.290 nan 0.000 0.525 304 Q N 1.907 121.753 119.800 0.076 0.000 2.255 304 Q HA 0.348 4.687 4.340 -0.000 0.000 0.280 304 Q C -1.744 174.318 176.000 0.102 0.000 1.068 304 Q CA -0.723 55.135 55.803 0.090 0.000 0.911 304 Q CB 1.158 29.938 28.738 0.069 0.000 1.157 304 Q HN 0.442 nan 8.270 nan 0.000 0.380 305 P HA 0.094 nan 4.420 nan 0.000 0.284 305 P C -0.534 176.843 177.300 0.129 0.000 1.292 305 P CA -0.457 62.752 63.100 0.181 0.000 0.800 305 P CB 0.791 32.654 31.700 0.273 0.000 1.188 306 T N -2.724 111.912 114.554 0.136 0.000 2.899 306 T HA 0.321 4.671 4.350 -0.000 0.000 0.284 306 T C 1.644 176.384 174.700 0.066 0.000 1.004 306 T CA -0.632 61.517 62.100 0.082 0.000 1.043 306 T CB 0.053 68.966 68.868 0.075 0.000 1.013 306 T HN 0.233 nan 8.240 nan 0.000 0.518 307 I N 0.602 121.186 120.570 0.022 0.000 2.226 307 I HA -0.107 4.063 4.170 -0.000 0.000 0.245 307 I C 2.799 178.920 176.117 0.006 0.000 1.100 307 I CA 1.389 62.678 61.300 -0.017 0.000 1.374 307 I CB -0.391 37.590 38.000 -0.031 0.000 1.057 307 I HN 0.800 nan 8.210 nan 0.000 0.413 308 K N 0.941 121.357 120.400 0.027 0.000 2.097 308 K HA -0.223 4.097 4.320 -0.000 0.000 0.206 308 K C 1.568 178.196 176.600 0.047 0.000 1.049 308 K CA 1.872 58.180 56.287 0.035 0.000 0.933 308 K CB -0.007 32.518 32.500 0.040 0.000 0.717 308 K HN 0.225 nan 8.250 nan 0.000 0.442 309 D N 0.889 121.336 120.400 0.079 0.000 2.123 309 D HA -0.106 4.533 4.640 -0.000 0.000 0.200 309 D C 2.045 178.419 176.300 0.123 0.000 0.976 309 D CA 0.769 54.808 54.000 0.065 0.000 0.831 309 D CB -0.147 40.744 40.800 0.151 0.000 0.974 309 D HN 0.191 nan 8.370 nan 0.000 0.469 310 L N 0.271 121.624 121.223 0.217 0.000 1.990 310 L HA -0.196 4.144 4.340 -0.000 0.000 0.213 310 L C 2.528 179.539 176.870 0.235 0.000 1.072 310 L CA 1.008 56.013 54.840 0.275 0.000 0.755 310 L CB -0.356 41.681 42.059 -0.037 0.000 0.889 310 L HN 0.054 nan 8.230 nan 0.000 0.432 311 L N -0.966 120.321 121.223 0.107 0.000 2.044 311 L HA -0.164 4.176 4.340 -0.000 0.000 0.205 311 L C 1.868 178.781 176.870 0.071 0.000 1.075 311 L CA 1.044 55.947 54.840 0.104 0.000 0.747 311 L CB -0.390 41.694 42.059 0.043 0.000 0.903 311 L HN 0.257 nan 8.230 nan 0.000 0.435 312 D N -1.056 119.358 120.400 0.022 0.000 2.355 312 D HA 0.025 4.665 4.640 -0.000 0.000 0.206 312 D C 2.010 178.239 176.300 -0.118 0.000 1.010 312 D CA 0.478 54.454 54.000 -0.040 0.000 0.875 312 D CB 0.655 41.434 40.800 -0.035 0.000 0.966 312 D HN 0.190 nan 8.370 nan 0.000 0.512 313 L N -0.960 120.175 121.223 -0.147 0.000 2.262 313 L HA 0.049 4.388 4.340 -0.000 0.000 0.197 313 L C 1.400 178.096 176.870 -0.290 0.000 1.073 313 L CA 0.571 55.214 54.840 -0.329 0.000 0.800 313 L CB 0.116 41.850 42.059 -0.541 0.000 0.987 313 L HN -0.059 nan 8.230 nan 0.000 0.470 314 Y N 0.117 120.452 120.300 0.058 0.000 2.490 314 Y HA 0.140 4.690 4.550 -0.000 0.000 0.281 314 Y C 0.502 176.469 175.900 0.111 0.000 1.174 314 Y CA 0.041 58.203 58.100 0.104 0.000 1.295 314 Y CB -0.173 38.390 38.460 0.172 0.000 1.062 314 Y HN 0.296 nan 8.280 nan 0.000 0.522 315 N N -0.368 118.449 118.700 0.195 0.000 2.725 315 N HA -0.292 4.448 4.740 -0.000 0.000 0.251 315 N C 0.661 176.277 175.510 0.176 0.000 1.031 315 N CA 0.233 53.369 53.050 0.143 0.000 0.720 315 N CB -1.476 37.071 38.487 0.100 0.000 0.930 315 N HN 0.327 nan 8.380 nan 0.000 0.543 316 F N 1.326 121.328 119.950 0.085 0.000 2.063 316 F HA -0.279 4.248 4.527 -0.000 0.000 0.298 316 F C 2.385 178.189 175.800 0.006 0.000 1.105 316 F CA 1.659 59.691 58.000 0.053 0.000 1.215 316 F CB 0.095 39.128 39.000 0.055 0.000 0.972 316 F HN 0.183 nan 8.300 nan 0.000 0.483 317 R N 0.292 120.891 120.500 0.165 0.000 2.241 317 R HA -0.101 4.239 4.340 -0.000 0.000 0.224 317 R C 2.041 178.306 176.300 -0.057 0.000 1.101 317 R CA 1.130 57.256 56.100 0.043 0.000 0.995 317 R CB -0.785 29.556 30.300 0.069 0.000 0.870 317 R HN 0.417 nan 8.270 nan 0.000 0.463 318 R N -0.093 120.375 120.500 -0.054 0.000 2.280 318 R HA 0.237 4.577 4.340 -0.000 0.000 0.195 318 R C 0.520 176.734 176.300 -0.142 0.000 0.935 318 R CA -0.028 56.027 56.100 -0.075 0.000 1.033 318 R CB 0.207 30.493 30.300 -0.024 0.000 0.964 318 R HN 0.088 nan 8.270 nan 0.000 0.489 319 I N 1.169 121.610 120.570 -0.215 0.000 2.533 319 I HA 0.110 4.280 4.170 -0.000 0.000 0.284 319 I C 0.787 176.713 176.117 -0.318 0.000 1.109 319 I CA 0.064 61.191 61.300 -0.288 0.000 1.412 319 I CB 1.043 38.812 38.000 -0.385 0.000 1.396 319 I HN 0.084 nan 8.210 nan 0.000 0.543 320 G N 5.791 114.407 108.800 -0.307 0.000 2.798 320 G HA2 0.452 4.411 3.960 -0.000 0.000 0.286 320 G HA3 0.452 4.411 3.960 -0.000 0.000 0.286 320 G C -2.516 172.174 174.900 -0.350 0.000 1.389 320 G CA -0.971 43.953 45.100 -0.293 0.000 0.894 320 G HN 0.269 nan 8.290 nan 0.000 0.488 321 P HA -0.039 nan 4.420 nan 0.000 0.218 321 P C 0.689 177.782 177.300 -0.344 0.000 1.146 321 P CA 1.183 64.082 63.100 -0.335 0.000 0.813 321 P CB 0.343 31.909 31.700 -0.222 0.000 0.778 322 D N -2.584 117.639 120.400 -0.295 0.000 2.379 322 D HA 0.036 4.676 4.640 -0.000 0.000 0.208 322 D C 0.261 176.365 176.300 -0.327 0.000 1.065 322 D CA 0.474 54.306 54.000 -0.281 0.000 0.848 322 D CB -0.179 40.488 40.800 -0.221 0.000 0.949 322 D HN 0.127 nan 8.370 nan 0.000 0.509 323 T N 2.002 116.343 114.554 -0.355 0.000 2.934 323 T HA 0.025 4.375 4.350 -0.000 0.000 0.306 323 T C 0.632 175.084 174.700 -0.413 0.000 1.042 323 T CA 0.307 62.190 62.100 -0.362 0.000 1.145 323 T CB 1.059 69.735 68.868 -0.320 0.000 0.982 323 T HN -0.074 nan 8.240 nan 0.000 0.544 324 K N 1.883 122.038 120.400 -0.408 0.000 2.174 324 K HA 0.482 4.802 4.320 -0.000 0.000 0.275 324 K C -0.544 175.731 176.600 -0.542 0.000 1.015 324 K CA -0.701 55.291 56.287 -0.491 0.000 0.933 324 K CB 1.099 33.343 32.500 -0.427 0.000 1.025 324 K HN 0.273 nan 8.250 nan 0.000 0.463 325 V N 3.679 123.124 119.914 -0.781 0.000 2.472 325 V HA 0.354 4.474 4.120 -0.000 0.000 0.290 325 V C -0.868 174.699 176.094 -0.878 0.000 1.037 325 V CA -0.692 61.215 62.300 -0.655 0.000 0.908 325 V CB 0.324 31.696 31.823 -0.752 0.000 0.985 325 V HN 0.593 nan 8.190 nan 0.000 0.454 326 Y N 1.573 121.724 120.300 -0.249 0.000 2.634 326 Y HA 0.908 5.458 4.550 -0.000 0.000 0.340 326 Y C 0.576 176.154 175.900 -0.535 0.000 1.058 326 Y CA -0.538 57.291 58.100 -0.452 0.000 1.081 326 Y CB 2.646 40.871 38.460 -0.391 0.000 1.295 326 Y HN 0.836 nan 8.280 nan 0.000 0.487 327 G N 0.231 108.684 108.800 -0.578 0.000 2.547 327 G HA2 0.448 4.408 3.960 -0.000 0.000 0.291 327 G HA3 0.448 4.408 3.960 -0.000 0.000 0.291 327 G C -2.497 172.160 174.900 -0.404 0.000 1.471 327 G CA -0.797 43.874 45.100 -0.715 0.000 0.798 327 G HN 0.475 nan 8.290 nan 0.000 0.504 328 I N 1.110 121.566 120.570 -0.189 0.000 2.297 328 I HA 0.529 4.699 4.170 -0.000 0.000 0.291 328 I C -0.108 176.065 176.117 0.093 0.000 1.033 328 I CA -1.323 60.080 61.300 0.172 0.000 1.253 328 I CB 0.292 38.507 38.000 0.358 0.000 1.396 328 I HN 0.353 nan 8.210 nan 0.000 0.476 329 I N 8.034 128.645 120.570 0.067 0.000 2.416 329 I HA 0.629 4.799 4.170 -0.000 0.000 0.288 329 I C 0.800 176.985 176.117 0.114 0.000 1.051 329 I CA 0.144 61.397 61.300 -0.080 0.000 1.375 329 I CB 0.539 38.401 38.000 -0.229 0.000 1.407 329 I HN 0.794 nan 8.210 nan 0.000 0.516 330 G N 5.304 114.191 108.800 0.145 0.000 2.441 330 G HA2 0.476 4.436 3.960 -0.000 0.000 0.294 330 G HA3 0.476 4.436 3.960 -0.000 0.000 0.294 330 G C -1.704 173.302 174.900 0.177 0.000 1.393 330 G CA -0.687 44.549 45.100 0.226 0.000 0.796 330 G HN 0.513 nan 8.290 nan 0.000 0.494 331 K N 1.062 121.527 120.400 0.109 0.000 2.664 331 K HA 0.338 4.658 4.320 -0.000 0.000 0.298 331 K C -2.779 173.857 176.600 0.061 0.000 1.152 331 K CA -1.017 55.322 56.287 0.086 0.000 1.038 331 K CB 2.303 34.841 32.500 0.063 0.000 1.342 331 K HN 0.487 nan 8.250 nan 0.000 0.496 332 P HA 0.092 nan 4.420 nan 0.000 0.275 332 P C -0.151 177.318 177.300 0.283 0.000 1.266 332 P CA -0.482 62.725 63.100 0.178 0.000 0.793 332 P CB 1.671 33.478 31.700 0.178 0.000 1.074 333 V N -0.401 119.664 119.914 0.251 0.000 3.356 333 V HA -0.069 4.050 4.120 -0.000 0.000 0.274 333 V C 2.071 178.224 176.094 0.097 0.000 1.631 333 V CA 1.098 63.502 62.300 0.173 0.000 1.025 333 V CB -0.343 31.595 31.823 0.192 0.000 0.840 333 V HN 0.715 nan 8.190 nan 0.000 0.419 334 S N 0.468 116.261 115.700 0.156 0.000 2.469 334 S HA -0.231 4.239 4.470 -0.000 0.000 0.238 334 S C 1.717 176.363 174.600 0.077 0.000 0.998 334 S CA 1.605 59.858 58.200 0.088 0.000 0.957 334 S CB -0.636 62.683 63.200 0.198 0.000 0.764 334 S HN 0.917 nan 8.310 nan 0.000 0.514 335 H N 0.289 119.390 119.070 0.052 0.000 2.563 335 H HA 0.313 4.869 4.556 -0.000 0.000 0.264 335 H C 0.784 176.150 175.328 0.064 0.000 0.957 335 H CA 0.531 56.512 56.048 -0.112 0.000 1.173 335 H CB -0.806 28.814 29.762 -0.236 0.000 1.420 335 H HN 0.413 nan 8.280 nan 0.000 0.551 336 S N 1.216 116.624 115.700 -0.487 0.000 2.546 336 S HA 0.016 4.486 4.470 -0.000 0.000 0.290 336 S C 0.796 175.514 174.600 0.197 0.000 1.290 336 S CA -0.355 57.789 58.200 -0.094 0.000 1.069 336 S CB 0.483 63.718 63.200 0.058 0.000 0.846 336 S HN 0.529 nan 8.310 nan 0.000 0.495 337 K N 3.215 123.714 120.400 0.166 0.000 2.397 337 K HA 0.154 4.474 4.320 -0.000 0.000 0.202 337 K C 1.667 178.354 176.600 0.145 0.000 1.022 337 K CA -0.038 56.316 56.287 0.112 0.000 1.141 337 K CB 0.181 32.736 32.500 0.092 0.000 0.857 337 K HN 0.515 nan 8.250 nan 0.000 0.514 338 S N 1.752 117.603 115.700 0.252 0.000 2.382 338 S HA -0.063 4.407 4.470 -0.000 0.000 0.228 338 S C -1.112 173.287 174.600 -0.336 0.000 1.027 338 S CA 1.108 59.350 58.200 0.069 0.000 0.991 338 S CB -0.567 62.801 63.200 0.279 0.000 0.823 338 S HN 0.214 nan 8.310 nan 0.000 0.469 339 P HA 0.005 nan 4.420 nan 0.000 0.220 339 P C 1.195 178.320 177.300 -0.291 0.000 1.148 339 P CA 0.787 63.801 63.100 -0.143 0.000 0.803 339 P CB -0.037 31.529 31.700 -0.223 0.000 0.782 340 I N -0.595 119.788 120.570 -0.313 0.000 2.133 340 I HA -0.203 3.967 4.170 -0.000 0.000 0.238 340 I C 2.346 178.274 176.117 -0.315 0.000 1.074 340 I CA 1.556 62.684 61.300 -0.287 0.000 1.342 340 I CB -0.874 37.030 38.000 -0.160 0.000 1.053 340 I HN -0.103 nan 8.210 nan 0.000 0.404 341 V N -1.016 118.694 119.914 -0.340 0.000 2.307 341 V HA -0.268 3.852 4.120 -0.000 0.000 0.245 341 V C 2.477 178.192 176.094 -0.632 0.000 1.045 341 V CA 1.725 63.740 62.300 -0.476 0.000 1.024 341 V CB -1.243 30.331 31.823 -0.415 0.000 0.651 341 V HN 0.360 nan 8.190 nan 0.000 0.449 342 H N 1.095 119.864 119.070 -0.503 0.000 2.353 342 H HA -0.025 4.531 4.556 -0.000 0.000 0.300 342 H C 2.401 177.205 175.328 -0.873 0.000 1.090 342 H CA 1.828 57.423 56.048 -0.756 0.000 1.327 342 H CB -0.510 28.616 29.762 -1.061 0.000 1.383 342 H HN 0.484 nan 8.280 nan 0.000 0.508 343 N N 0.915 119.367 118.700 -0.413 0.000 2.188 343 N HA -0.115 4.625 4.740 -0.000 0.000 0.184 343 N C 1.961 177.385 175.510 -0.145 0.000 1.018 343 N CA 0.591 53.539 53.050 -0.169 0.000 0.858 343 N CB 0.009 38.459 38.487 -0.061 0.000 0.989 343 N HN 0.417 nan 8.380 nan 0.000 0.426 344 Q N 0.845 120.479 119.800 -0.276 0.000 2.046 344 Q HA 0.019 4.359 4.340 -0.000 0.000 0.200 344 Q C 2.103 177.980 176.000 -0.205 0.000 0.975 344 Q CA 1.166 56.800 55.803 -0.281 0.000 0.836 344 Q CB -0.475 28.034 28.738 -0.382 0.000 0.896 344 Q HN 0.343 nan 8.270 nan 0.000 0.428 345 A N 0.511 123.145 122.820 -0.310 0.000 1.877 345 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 345 A C 2.063 179.784 177.584 0.229 0.000 1.186 345 A CA 1.119 53.015 52.037 -0.235 0.000 0.620 345 A CB -1.063 17.634 19.000 -0.505 0.000 0.822 345 A HN 0.360 nan 8.150 nan 0.000 0.443 346 F N -0.110 119.963 119.950 0.205 0.000 2.091 346 F HA -0.252 4.275 4.527 -0.000 0.000 0.299 346 F C 2.547 178.461 175.800 0.189 0.000 1.103 346 F CA 1.623 59.808 58.000 0.308 0.000 1.228 346 F CB -0.129 39.055 39.000 0.306 0.000 0.984 346 F HN 0.252 nan 8.300 nan 0.000 0.477 347 K N 0.572 121.142 120.400 0.284 0.000 2.026 347 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 347 K C 2.172 178.834 176.600 0.103 0.000 1.048 347 K CA 1.699 58.072 56.287 0.142 0.000 0.929 347 K CB -0.186 32.346 32.500 0.053 0.000 0.713 347 K HN 0.042 nan 8.250 nan 0.000 0.439 348 S N 0.613 116.353 115.700 0.067 0.000 2.359 348 S HA -0.162 4.307 4.470 -0.000 0.000 0.223 348 S C 1.763 176.408 174.600 0.075 0.000 1.039 348 S CA 1.710 59.932 58.200 0.036 0.000 1.042 348 S CB -0.317 62.868 63.200 -0.025 0.000 0.915 348 S HN 0.453 nan 8.310 nan 0.000 0.439 349 V N -0.686 119.314 119.914 0.142 0.000 3.646 349 V HA 0.257 4.377 4.120 -0.000 0.000 0.277 349 V C 0.340 176.542 176.094 0.180 0.000 1.274 349 V CA 0.478 62.880 62.300 0.169 0.000 1.164 349 V CB -0.819 31.159 31.823 0.260 0.000 0.926 349 V HN 0.369 nan 8.190 nan 0.000 0.442 350 D N 0.057 120.553 120.400 0.160 0.000 2.723 350 D HA -0.256 4.384 4.640 -0.000 0.000 0.236 350 D C -0.432 175.945 176.300 0.128 0.000 1.138 350 D CA 0.606 54.675 54.000 0.115 0.000 0.676 350 D CB -1.288 39.549 40.800 0.063 0.000 1.069 350 D HN 0.678 nan 8.370 nan 0.000 0.430 351 F N 1.350 121.308 119.950 0.013 0.000 2.410 351 F HA 0.349 4.876 4.527 -0.000 0.000 0.348 351 F C 0.751 176.456 175.800 -0.159 0.000 1.106 351 F CA -1.038 56.894 58.000 -0.114 0.000 1.163 351 F CB 0.656 39.520 39.000 -0.227 0.000 1.129 351 F HN -0.178 nan 8.300 nan 0.000 0.516 352 N N 4.142 122.363 118.700 -0.799 0.000 3.050 352 N HA 0.308 5.048 4.740 -0.000 0.000 0.289 352 N C -0.466 174.624 175.510 -0.701 0.000 1.209 352 N CA 0.151 52.845 53.050 -0.594 0.000 1.154 352 N CB -0.216 37.993 38.487 -0.464 0.000 1.444 352 N HN 0.812 nan 8.380 nan 0.000 0.529 353 G N -0.675 107.848 108.800 -0.462 0.000 2.690 353 G HA2 0.600 4.560 3.960 -0.000 0.000 0.291 353 G HA3 0.600 4.560 3.960 -0.000 0.000 0.291 353 G C -1.728 173.333 174.900 0.268 0.000 1.403 353 G CA -0.472 44.525 45.100 -0.172 0.000 0.864 353 G HN 0.231 nan 8.290 nan 0.000 0.480 354 V N 0.121 120.264 119.914 0.382 0.000 2.925 354 V HA 0.805 4.925 4.120 -0.000 0.000 0.311 354 V C -2.015 174.392 176.094 0.522 0.000 1.104 354 V CA -0.967 61.586 62.300 0.421 0.000 0.954 354 V CB 2.045 33.966 31.823 0.163 0.000 1.022 354 V HN 0.849 nan 8.190 nan 0.000 0.427 355 Y N 5.604 126.098 120.300 0.323 0.000 2.350 355 Y HA 0.737 5.287 4.550 -0.000 0.000 0.338 355 Y C -0.305 175.715 175.900 0.200 0.000 0.961 355 Y CA -0.230 58.014 58.100 0.241 0.000 1.100 355 Y CB 1.858 40.392 38.460 0.124 0.000 1.179 355 Y HN 0.719 nan 8.280 nan 0.000 0.454 356 V N 1.474 121.435 119.914 0.080 0.000 3.158 356 V HA 0.611 4.731 4.120 -0.000 0.000 0.315 356 V C -1.042 175.052 176.094 0.001 0.000 1.148 356 V CA -1.106 61.265 62.300 0.119 0.000 1.042 356 V CB 1.652 33.515 31.823 0.068 0.000 1.101 356 V HN 0.807 nan 8.190 nan 0.000 0.448 357 H N 0.910 120.086 119.070 0.178 0.000 2.610 357 H HA 0.712 5.268 4.556 -0.000 0.000 0.336 357 H C -0.577 174.789 175.328 0.063 0.000 1.087 357 H CA -0.110 56.025 56.048 0.146 0.000 1.405 357 H CB 1.134 31.010 29.762 0.190 0.000 1.460 357 H HN 0.572 nan 8.280 nan 0.000 0.538 358 L N 4.195 125.484 121.223 0.110 0.000 2.417 358 L HA 0.176 4.515 4.340 -0.000 0.000 0.259 358 L C -0.936 175.882 176.870 -0.086 0.000 1.023 358 L CA -0.753 54.052 54.840 -0.059 0.000 0.901 358 L CB 1.002 42.906 42.059 -0.258 0.000 1.227 358 L HN 0.343 nan 8.230 nan 0.000 0.454 359 L N 4.806 126.025 121.223 -0.006 0.000 2.433 359 L HA 0.309 4.649 4.340 -0.000 0.000 0.284 359 L C -0.390 176.455 176.870 -0.043 0.000 1.120 359 L CA 0.323 55.175 54.840 0.020 0.000 0.879 359 L CB 0.751 42.848 42.059 0.063 0.000 1.232 359 L HN 0.216 nan 8.230 nan 0.000 0.454 360 V N 6.085 125.956 119.914 -0.072 0.000 2.384 360 V HA 0.321 4.441 4.120 -0.000 0.000 0.287 360 V C 0.506 176.655 176.094 0.092 0.000 1.020 360 V CA -0.516 61.703 62.300 -0.134 0.000 0.850 360 V CB 1.328 32.834 31.823 -0.528 0.000 0.987 360 V HN 0.692 nan 8.190 nan 0.000 0.436 361 D N 2.301 122.741 120.400 0.065 0.000 2.202 361 D HA -0.004 4.636 4.640 -0.000 0.000 0.214 361 D C 0.685 177.063 176.300 0.131 0.000 0.967 361 D CA 0.957 55.026 54.000 0.115 0.000 0.871 361 D CB 0.356 41.200 40.800 0.073 0.000 1.020 361 D HN 0.505 nan 8.370 nan 0.000 0.474 362 N N 1.627 120.358 118.700 0.051 0.000 2.479 362 N HA 0.013 4.753 4.740 -0.000 0.000 0.261 362 N C 0.847 176.331 175.510 -0.042 0.000 0.979 362 N CA -0.262 52.808 53.050 0.033 0.000 0.930 362 N CB 1.741 40.250 38.487 0.037 0.000 1.172 362 N HN -0.059 nan 8.380 nan 0.000 0.499 363 L N 4.482 125.621 121.223 -0.139 0.000 2.042 363 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 363 L C 1.630 178.488 176.870 -0.021 0.000 1.076 363 L CA 1.713 56.438 54.840 -0.193 0.000 0.749 363 L CB -0.527 41.405 42.059 -0.212 0.000 0.893 363 L HN 0.379 nan 8.230 nan 0.000 0.432 364 V N 0.356 120.267 119.914 -0.005 0.000 2.295 364 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 364 V C 2.882 178.968 176.094 -0.012 0.000 1.049 364 V CA 1.797 64.096 62.300 -0.002 0.000 1.024 364 V CB -0.844 30.979 31.823 -0.000 0.000 0.648 364 V HN 0.676 nan 8.190 nan 0.000 0.447 365 S N 0.066 115.764 115.700 -0.003 0.000 2.382 365 S HA -0.236 4.234 4.470 -0.000 0.000 0.228 365 S C 1.956 176.534 174.600 -0.036 0.000 1.027 365 S CA 1.616 59.801 58.200 -0.026 0.000 0.991 365 S CB -0.813 62.381 63.200 -0.010 0.000 0.823 365 S HN 0.515 nan 8.310 nan 0.000 0.469 366 F N 2.807 122.695 119.950 -0.103 0.000 2.075 366 F HA 0.045 4.572 4.527 -0.000 0.000 0.297 366 F C 2.005 177.758 175.800 -0.079 0.000 1.113 366 F CA 1.339 59.291 58.000 -0.079 0.000 1.218 366 F CB -0.516 38.384 39.000 -0.167 0.000 0.984 366 F HN 0.125 nan 8.300 nan 0.000 0.472 367 L N -0.143 120.981 121.223 -0.164 0.000 2.127 367 L HA -0.250 4.090 4.340 -0.000 0.000 0.211 367 L C 2.433 179.175 176.870 -0.213 0.000 1.089 367 L CA 1.539 56.252 54.840 -0.211 0.000 0.757 367 L CB -0.869 41.167 42.059 -0.038 0.000 0.899 367 L HN 0.312 nan 8.230 nan 0.000 0.434 368 Q N -0.407 119.281 119.800 -0.186 0.000 2.172 368 Q HA -0.077 4.263 4.340 -0.000 0.000 0.200 368 Q C 2.388 178.215 176.000 -0.287 0.000 0.964 368 Q CA 1.261 56.956 55.803 -0.179 0.000 0.855 368 Q CB -0.132 28.528 28.738 -0.130 0.000 0.918 368 Q HN 0.530 nan 8.270 nan 0.000 0.444 369 A N -0.071 122.496 122.820 -0.421 0.000 2.066 369 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 369 A C 0.245 177.213 177.584 -1.028 0.000 1.157 369 A CA 0.760 52.388 52.037 -0.681 0.000 0.670 369 A CB 0.002 18.546 19.000 -0.759 0.000 0.804 369 A HN 0.362 nan 8.150 nan 0.000 0.453 370 Y N -0.088 119.843 120.300 -0.615 0.000 2.562 370 Y HA 0.256 4.806 4.550 -0.000 0.000 0.363 370 Y C 1.258 176.944 175.900 -0.357 0.000 0.991 370 Y CA -0.024 57.631 58.100 -0.742 0.000 1.121 370 Y CB 0.752 38.401 38.460 -1.352 0.000 1.159 370 Y HN 0.269 nan 8.280 nan 0.000 0.651 371 S N -1.991 113.649 115.700 -0.100 0.000 2.535 371 S HA 0.035 4.505 4.470 -0.000 0.000 0.214 371 S C 0.966 175.622 174.600 0.094 0.000 0.980 371 S CA -0.029 58.181 58.200 0.018 0.000 0.907 371 S CB -0.173 63.007 63.200 -0.032 0.000 0.790 371 S HN 0.400 nan 8.310 nan 0.000 0.510 372 S N 2.401 118.185 115.700 0.140 0.000 2.587 372 S HA 0.154 4.624 4.470 -0.000 0.000 0.260 372 S C 1.408 176.114 174.600 0.176 0.000 1.353 372 S CA 0.055 58.354 58.200 0.164 0.000 0.995 372 S CB 0.581 63.913 63.200 0.220 0.000 0.912 372 S HN 0.572 nan 8.310 nan 0.000 0.568 373 S N 0.093 115.843 115.700 0.083 0.000 2.447 373 S HA -0.132 4.337 4.470 -0.000 0.000 0.233 373 S C 1.095 175.654 174.600 -0.069 0.000 1.006 373 S CA 1.022 59.228 58.200 0.009 0.000 0.957 373 S CB -0.738 62.449 63.200 -0.020 0.000 0.773 373 S HN 0.748 nan 8.310 nan 0.000 0.507 374 D N 1.375 121.744 120.400 -0.052 0.000 2.190 374 D HA -0.041 4.599 4.640 -0.000 0.000 0.200 374 D C -0.218 175.708 176.300 -0.624 0.000 0.992 374 D CA 0.902 54.715 54.000 -0.313 0.000 0.854 374 D CB -0.307 40.342 40.800 -0.252 0.000 0.936 374 D HN 0.523 nan 8.370 nan 0.000 0.462 375 F N 0.000 119.867 119.950 -0.139 0.000 2.384 375 F HA 0.385 4.911 4.527 -0.000 0.000 0.359 375 F C 1.213 176.752 175.800 -0.434 0.000 1.143 375 F CA -0.690 57.151 58.000 -0.265 0.000 1.216 375 F CB 1.031 40.055 39.000 0.041 0.000 1.512 375 F HN -0.191 nan 8.300 nan 0.000 0.573 376 A N 2.250 124.679 122.820 -0.651 0.000 2.016 376 A HA 0.509 4.829 4.320 -0.000 0.000 0.217 376 A C 1.213 178.577 177.584 -0.366 0.000 1.162 376 A CA 0.924 52.661 52.037 -0.498 0.000 0.662 376 A CB -0.261 18.442 19.000 -0.495 0.000 0.812 376 A HN 0.730 nan 8.150 nan 0.000 0.450 377 G N -2.156 106.211 108.800 -0.722 0.000 2.632 377 G HA2 0.533 4.492 3.960 -0.000 0.000 0.292 377 G HA3 0.533 4.492 3.960 -0.000 0.000 0.292 377 G C -1.425 173.017 174.900 -0.762 0.000 1.465 377 G CA -0.634 44.252 45.100 -0.358 0.000 0.824 377 G HN 0.098 nan 8.290 nan 0.000 0.509 378 F N -0.204 119.906 119.950 0.268 0.000 2.613 378 F HA 0.730 5.256 4.527 -0.000 0.000 0.310 378 F C 0.332 176.398 175.800 0.444 0.000 1.085 378 F CA -0.878 57.260 58.000 0.229 0.000 0.945 378 F CB 2.587 41.713 39.000 0.209 0.000 1.298 378 F HN 0.394 nan 8.300 nan 0.000 0.455 379 S N 0.385 116.439 115.700 0.591 0.000 2.549 379 S HA 0.705 5.175 4.470 -0.000 0.000 0.297 379 S C -1.208 173.612 174.600 0.366 0.000 1.115 379 S CA -0.561 57.950 58.200 0.517 0.000 1.059 379 S CB 1.420 64.971 63.200 0.585 0.000 1.046 379 S HN 0.631 nan 8.310 nan 0.000 0.506 380 C N 1.823 121.301 119.300 0.297 0.000 2.441 380 C HA 0.860 5.320 4.460 -0.000 0.000 0.318 380 C C 0.739 175.863 174.990 0.224 0.000 1.222 380 C CA -0.593 58.568 59.018 0.238 0.000 1.474 380 C CB 1.132 28.998 27.740 0.209 0.000 2.125 380 C HN 0.916 nan 8.230 nan 0.000 0.479 381 T N 1.433 116.118 114.554 0.219 0.000 2.773 381 T HA 0.611 4.961 4.350 -0.000 0.000 0.278 381 T C -0.258 174.522 174.700 0.133 0.000 1.011 381 T CA -0.533 61.687 62.100 0.200 0.000 1.014 381 T CB 0.624 69.644 68.868 0.253 0.000 1.293 381 T HN 0.528 nan 8.240 nan 0.000 0.554 382 I N 3.466 124.094 120.570 0.097 0.000 2.906 382 I HA 0.116 4.286 4.170 -0.000 0.000 0.302 382 I C -1.584 174.473 176.117 -0.100 0.000 1.220 382 I CA -0.541 60.762 61.300 0.005 0.000 1.441 382 I CB 0.614 38.625 38.000 0.017 0.000 1.336 382 I HN 0.476 nan 8.210 nan 0.000 0.565 383 P HA 0.208 nan 4.420 nan 0.000 0.269 383 P C -0.180 176.909 177.300 -0.352 0.000 1.857 383 P CA -0.056 62.870 63.100 -0.290 0.000 1.213 383 P CB 0.303 31.846 31.700 -0.262 0.000 1.702 384 H N -0.584 118.511 119.070 0.042 0.000 2.674 384 H HA 0.284 4.840 4.556 -0.000 0.000 0.274 384 H C 1.339 176.696 175.328 0.048 0.000 1.121 384 H CA -0.212 55.856 56.048 0.033 0.000 1.132 384 H CB 0.600 30.367 29.762 0.008 0.000 1.606 384 H HN 0.224 nan 8.280 nan 0.000 0.558 385 K N 1.070 121.550 120.400 0.133 0.000 2.002 385 K HA -0.115 4.205 4.320 -0.000 0.000 0.209 385 K C 1.614 178.267 176.600 0.088 0.000 1.048 385 K CA 1.349 57.704 56.287 0.113 0.000 0.930 385 K CB 0.279 32.835 32.500 0.093 0.000 0.714 385 K HN 0.325 nan 8.250 nan 0.000 0.438 386 E N 0.544 120.785 120.200 0.069 0.000 2.072 386 E HA -0.128 4.222 4.350 -0.000 0.000 0.190 386 E C 2.041 178.676 176.600 0.057 0.000 0.982 386 E CA 0.895 57.325 56.400 0.050 0.000 0.803 386 E CB -0.090 29.632 29.700 0.037 0.000 0.755 386 E HN 0.307 nan 8.360 nan 0.000 0.453 387 A N 1.474 124.342 122.820 0.081 0.000 1.978 387 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 387 A C 2.363 179.991 177.584 0.072 0.000 1.170 387 A CA 1.626 53.712 52.037 0.083 0.000 0.636 387 A CB -0.600 18.476 19.000 0.127 0.000 0.810 387 A HN 0.291 nan 8.150 nan 0.000 0.448 388 A N -0.475 122.398 122.820 0.088 0.000 1.969 388 A HA 0.008 4.328 4.320 -0.000 0.000 0.218 388 A C 2.080 179.700 177.584 0.059 0.000 1.169 388 A CA 1.620 53.706 52.037 0.081 0.000 0.635 388 A CB -0.537 18.530 19.000 0.111 0.000 0.810 388 A HN 0.718 nan 8.150 nan 0.000 0.445 389 L N -0.333 120.917 121.223 0.046 0.000 2.012 389 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 389 L C 1.349 178.227 176.870 0.014 0.000 1.073 389 L CA 1.540 56.392 54.840 0.020 0.000 0.748 389 L CB -0.739 41.325 42.059 0.009 0.000 0.891 389 L HN 0.366 nan 8.230 nan 0.000 0.431 393 D N 0.791 121.194 120.400 0.005 0.000 2.097 393 D HA -0.057 4.583 4.640 -0.000 0.000 0.195 393 D C 0.543 176.832 176.300 -0.018 0.000 0.989 393 D CA 1.425 55.424 54.000 -0.002 0.000 0.827 393 D CB 0.501 41.306 40.800 0.007 0.000 0.966 393 D HN 0.715 nan 8.370 nan 0.000 0.456 394 E N 0.038 120.216 120.200 -0.036 0.000 2.256 394 E HA 0.537 4.887 4.350 -0.000 0.000 0.267 394 E C -0.988 175.545 176.600 -0.112 0.000 0.892 394 E CA -0.642 55.721 56.400 -0.062 0.000 0.775 394 E CB 3.335 33.000 29.700 -0.059 0.000 1.207 394 E HN -0.239 nan 8.360 nan 0.000 0.420 395 V N 1.879 121.724 119.914 -0.115 0.000 2.638 395 V HA 0.113 4.233 4.120 -0.000 0.000 0.306 395 V C -0.562 175.443 176.094 -0.147 0.000 1.052 395 V CA -0.903 61.307 62.300 -0.150 0.000 0.885 395 V CB 2.111 33.880 31.823 -0.091 0.000 0.999 395 V HN 0.711 nan 8.190 nan 0.000 0.424 396 D N 5.333 125.608 120.400 -0.208 0.000 2.423 396 D HA 0.165 4.805 4.640 -0.000 0.000 0.238 396 D C -1.517 174.756 176.300 -0.045 0.000 1.142 396 D CA -0.744 53.196 54.000 -0.100 0.000 0.884 396 D CB 1.610 42.400 40.800 -0.016 0.000 1.199 396 D HN 0.240 nan 8.370 nan 0.000 0.438 397 P HA -0.200 nan 4.420 nan 0.000 0.214 397 P C 1.414 178.697 177.300 -0.028 0.000 1.169 397 P CA 0.736 63.831 63.100 -0.009 0.000 0.908 397 P CB 0.027 31.738 31.700 0.018 0.000 0.791 398 L N -0.812 120.410 121.223 -0.002 0.000 2.079 398 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 398 L C 2.111 178.913 176.870 -0.113 0.000 1.081 398 L CA 2.190 57.014 54.840 -0.026 0.000 0.752 398 L CB -1.546 40.540 42.059 0.045 0.000 0.896 398 L HN -0.113 nan 8.230 nan 0.000 0.433 399 A N -0.586 122.195 122.820 -0.064 0.000 1.840 399 A HA -0.227 4.093 4.320 -0.000 0.000 0.214 399 A C 2.448 179.964 177.584 -0.114 0.000 1.198 399 A CA 1.745 53.737 52.037 -0.076 0.000 0.608 399 A CB -0.701 18.274 19.000 -0.042 0.000 0.839 399 A HN 0.454 nan 8.150 nan 0.000 0.443 400 K N -0.237 120.105 120.400 -0.096 0.000 2.113 400 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 400 K C 2.356 178.880 176.600 -0.127 0.000 1.047 400 K CA 1.700 57.934 56.287 -0.088 0.000 0.928 400 K CB -0.209 32.252 32.500 -0.064 0.000 0.716 400 K HN 0.455 nan 8.250 nan 0.000 0.446 401 S N 0.448 116.040 115.700 -0.181 0.000 2.356 401 S HA -0.107 4.363 4.470 -0.000 0.000 0.223 401 S C 1.902 176.203 174.600 -0.498 0.000 1.032 401 S CA 1.243 59.272 58.200 -0.284 0.000 1.005 401 S CB -0.211 62.808 63.200 -0.302 0.000 0.867 401 S HN 0.354 nan 8.310 nan 0.000 0.449 402 I N 0.574 120.796 120.570 -0.580 0.000 2.315 402 I HA 0.036 4.206 4.170 -0.000 0.000 0.248 402 I C 1.948 177.942 176.117 -0.204 0.000 1.117 402 I CA 0.988 61.986 61.300 -0.503 0.000 1.404 402 I CB -0.460 37.352 38.000 -0.314 0.000 1.071 402 I HN 0.612 nan 8.210 nan 0.000 0.419 403 G N 0.854 109.569 108.800 -0.142 0.000 2.144 403 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.218 403 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.218 403 G C 0.078 174.959 174.900 -0.032 0.000 0.988 403 G CA -0.102 44.957 45.100 -0.068 0.000 0.659 403 G HN 0.749 nan 8.290 nan 0.000 0.522 404 A N -1.198 121.604 122.820 -0.031 0.000 2.574 404 A HA 0.848 5.168 4.320 -0.000 0.000 0.297 404 A C -0.965 176.630 177.584 0.019 0.000 1.062 404 A CA -0.163 51.879 52.037 0.008 0.000 0.686 404 A CB 2.176 21.191 19.000 0.025 0.000 1.285 404 A HN 1.326 nan 8.150 nan 0.000 0.403 405 V N 2.012 121.955 119.914 0.048 0.000 2.487 405 V HA 0.388 4.508 4.120 -0.000 0.000 0.298 405 V C 0.613 176.775 176.094 0.113 0.000 1.028 405 V CA 0.120 62.462 62.300 0.071 0.000 0.860 405 V CB 1.573 33.434 31.823 0.064 0.000 0.991 405 V HN 1.101 nan 8.190 nan 0.000 0.427 406 N N 1.725 120.502 118.700 0.129 0.000 2.171 406 N HA 0.119 4.859 4.740 -0.000 0.000 0.212 406 N C -0.261 175.370 175.510 0.202 0.000 1.184 406 N CA -0.362 52.783 53.050 0.159 0.000 0.888 406 N CB 0.961 39.528 38.487 0.132 0.000 1.038 406 N HN 0.545 nan 8.380 nan 0.000 0.517 407 T N 1.244 115.927 114.554 0.214 0.000 2.949 407 T HA 0.416 4.766 4.350 -0.000 0.000 0.300 407 T C -0.827 174.086 174.700 0.356 0.000 0.988 407 T CA -0.419 61.845 62.100 0.274 0.000 0.993 407 T CB 1.743 70.692 68.868 0.134 0.000 0.984 407 T HN 0.084 nan 8.240 nan 0.000 0.442 408 I N 3.625 124.472 120.570 0.461 0.000 2.406 408 I HA 0.511 4.681 4.170 -0.000 0.000 0.290 408 I C -1.004 175.404 176.117 0.486 0.000 0.999 408 I CA -1.067 60.495 61.300 0.436 0.000 1.124 408 I CB 1.833 40.120 38.000 0.478 0.000 1.289 408 I HN 0.348 nan 8.210 nan 0.000 0.441 409 L N 7.214 128.683 121.223 0.411 0.000 2.333 409 L HA 0.479 4.819 4.340 -0.000 0.000 0.280 409 L C -0.162 176.855 176.870 0.245 0.000 1.004 409 L CA -0.340 54.724 54.840 0.374 0.000 0.820 409 L CB 1.397 43.717 42.059 0.434 0.000 1.247 409 L HN 0.552 nan 8.230 nan 0.000 0.416 410 R N 5.122 125.726 120.500 0.173 0.000 2.296 410 R HA 0.320 4.660 4.340 -0.000 0.000 0.327 410 R C -0.176 176.184 176.300 0.101 0.000 1.137 410 R CA -0.587 55.587 56.100 0.124 0.000 1.020 410 R CB 0.227 30.580 30.300 0.089 0.000 1.110 410 R HN 0.777 nan 8.270 nan 0.000 0.499 411 R N 3.659 124.221 120.500 0.103 0.000 2.538 411 R HA -0.059 4.281 4.340 -0.000 0.000 0.282 411 R C 0.429 176.762 176.300 0.055 0.000 1.009 411 R CA 0.475 56.625 56.100 0.083 0.000 1.063 411 R CB 0.689 31.035 30.300 0.077 0.000 0.945 411 R HN 0.635 nan 8.270 nan 0.000 0.414 412 K N 1.900 122.326 120.400 0.044 0.000 2.057 412 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 412 K C 1.827 178.440 176.600 0.021 0.000 1.049 412 K CA 1.857 58.159 56.287 0.025 0.000 0.931 412 K CB -0.068 32.442 32.500 0.017 0.000 0.714 412 K HN 0.587 nan 8.250 nan 0.000 0.440 413 S N 2.349 118.063 115.700 0.024 0.000 2.563 413 S HA -0.231 4.239 4.470 -0.000 0.000 0.236 413 S C 1.656 176.267 174.600 0.018 0.000 1.085 413 S CA 2.150 60.362 58.200 0.019 0.000 1.341 413 S CB -0.760 62.453 63.200 0.023 0.000 1.186 413 S HN 0.525 nan 8.310 nan 0.000 0.408 414 D N 0.342 120.755 120.400 0.021 0.000 2.234 414 D HA 0.243 4.883 4.640 -0.000 0.000 0.205 414 D C 1.285 177.598 176.300 0.022 0.000 0.962 414 D CA 0.889 54.899 54.000 0.018 0.000 0.855 414 D CB -0.748 40.063 40.800 0.018 0.000 0.951 414 D HN 0.702 nan 8.370 nan 0.000 0.500 415 G N 0.407 109.225 108.800 0.030 0.000 2.131 415 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.223 415 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.223 415 G C 0.140 175.068 174.900 0.046 0.000 0.990 415 G CA 0.207 45.328 45.100 0.036 0.000 0.671 415 G HN 0.729 nan 8.290 nan 0.000 0.521 416 K N -0.083 120.344 120.400 0.044 0.000 2.098 416 K HA 0.771 5.091 4.320 -0.000 0.000 0.244 416 K C 0.196 176.836 176.600 0.067 0.000 1.014 416 K CA -0.984 55.331 56.287 0.047 0.000 0.917 416 K CB 1.215 33.733 32.500 0.030 0.000 1.072 416 K HN 0.158 nan 8.250 nan 0.000 0.477 417 L N 2.278 123.542 121.223 0.069 0.000 2.276 417 L HA 0.338 4.678 4.340 -0.000 0.000 0.286 417 L C -0.466 176.430 176.870 0.043 0.000 1.061 417 L CA -0.829 54.066 54.840 0.092 0.000 0.807 417 L CB 0.575 42.704 42.059 0.116 0.000 1.177 417 L HN 0.445 nan 8.230 nan 0.000 0.429 418 L N 2.989 124.235 121.223 0.038 0.000 2.307 418 L HA 0.618 4.958 4.340 -0.000 0.000 0.284 418 L C 0.537 177.278 176.870 -0.215 0.000 1.023 418 L CA -0.511 54.257 54.840 -0.119 0.000 0.810 418 L CB 1.653 43.650 42.059 -0.104 0.000 1.231 418 L HN 0.626 nan 8.230 nan 0.000 0.423 419 G N 1.964 110.561 108.800 -0.338 0.000 2.356 419 G HA2 0.615 4.575 3.960 -0.000 0.000 0.322 419 G HA3 0.615 4.575 3.960 -0.000 0.000 0.322 419 G C -1.473 173.153 174.900 -0.457 0.000 1.125 419 G CA -0.126 44.829 45.100 -0.242 0.000 0.885 419 G HN 0.368 nan 8.290 nan 0.000 0.467 420 Y N 0.292 120.615 120.300 0.038 0.000 2.605 420 Y HA 0.523 5.073 4.550 -0.000 0.000 0.343 420 Y C 0.036 175.938 175.900 0.002 0.000 1.036 420 Y CA -1.275 56.828 58.100 0.004 0.000 1.065 420 Y CB 2.636 41.083 38.460 -0.023 0.000 1.288 420 Y HN 0.465 nan 8.280 nan 0.000 0.481 421 N N 0.245 119.044 118.700 0.165 0.000 2.519 421 N HA 0.158 4.898 4.740 -0.000 0.000 0.286 421 N C -0.386 175.149 175.510 0.042 0.000 1.079 421 N CA -0.068 53.032 53.050 0.082 0.000 0.878 421 N CB 1.711 40.226 38.487 0.046 0.000 1.375 421 N HN 0.877 nan 8.380 nan 0.000 0.514 422 T N -1.340 113.217 114.554 0.005 0.000 3.054 422 T HA 0.190 4.540 4.350 -0.000 0.000 0.255 422 T C 0.429 175.100 174.700 -0.049 0.000 1.035 422 T CA -0.133 61.935 62.100 -0.054 0.000 0.941 422 T CB 0.368 69.156 68.868 -0.134 0.000 1.026 422 T HN 0.228 nan 8.240 nan 0.000 0.533 426 G N 0.953 109.702 108.800 -0.085 0.000 2.433 426 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.216 426 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.216 426 G C 1.529 176.368 174.900 -0.102 0.000 1.186 426 G CA 1.720 46.748 45.100 -0.119 0.000 0.779 426 G HN 0.579 nan 8.290 nan 0.000 0.543 427 S N 0.520 116.157 115.700 -0.105 0.000 2.371 427 S HA 0.004 4.474 4.470 -0.000 0.000 0.224 427 S C 2.311 176.689 174.600 -0.371 0.000 1.029 427 S CA 0.903 58.927 58.200 -0.293 0.000 0.978 427 S CB -0.248 62.835 63.200 -0.195 0.000 0.833 427 S HN 0.124 nan 8.310 nan 0.000 0.466 428 I N 2.826 123.278 120.570 -0.196 0.000 2.163 428 I HA -0.128 4.042 4.170 -0.000 0.000 0.243 428 I C 2.687 178.725 176.117 -0.132 0.000 1.085 428 I CA 1.279 62.487 61.300 -0.154 0.000 1.347 428 I CB -1.876 36.078 38.000 -0.075 0.000 1.044 428 I HN 0.323 nan 8.210 nan 0.000 0.408 429 S N 1.064 116.709 115.700 -0.092 0.000 2.368 429 S HA -0.134 4.335 4.470 -0.000 0.000 0.225 429 S C 2.238 176.809 174.600 -0.049 0.000 1.030 429 S CA 1.349 59.521 58.200 -0.046 0.000 0.999 429 S CB -0.367 62.830 63.200 -0.005 0.000 0.844 429 S HN 0.565 nan 8.310 nan 0.000 0.459 430 A N 1.361 124.130 122.820 -0.085 0.000 1.933 430 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 430 A C 2.067 179.592 177.584 -0.097 0.000 1.175 430 A CA 1.147 53.152 52.037 -0.054 0.000 0.628 430 A CB -0.671 18.301 19.000 -0.046 0.000 0.814 430 A HN 0.494 nan 8.150 nan 0.000 0.444 431 I N -0.512 119.930 120.570 -0.213 0.000 2.252 431 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 431 I C 2.464 178.541 176.117 -0.067 0.000 1.102 431 I CA 1.516 62.721 61.300 -0.159 0.000 1.385 431 I CB -0.493 37.373 38.000 -0.223 0.000 1.064 431 I HN 0.422 nan 8.210 nan 0.000 0.414 432 E N 0.609 120.770 120.200 -0.064 0.000 2.110 432 E HA -0.284 4.066 4.350 -0.000 0.000 0.193 432 E C 1.654 178.242 176.600 -0.020 0.000 0.988 432 E CA 1.630 58.010 56.400 -0.034 0.000 0.804 432 E CB -0.180 29.502 29.700 -0.031 0.000 0.745 432 E HN 0.449 nan 8.360 nan 0.000 0.458 433 D N 0.114 120.503 120.400 -0.018 0.000 2.117 433 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 433 D C 2.059 178.355 176.300 -0.006 0.000 0.987 433 D CA 1.499 55.493 54.000 -0.010 0.000 0.829 433 D CB -0.319 40.479 40.800 -0.003 0.000 0.961 433 D HN 0.174 nan 8.370 nan 0.000 0.460 434 G N -0.240 108.561 108.800 0.002 0.000 2.448 434 G HA2 -0.058 3.901 3.960 -0.000 0.000 0.219 434 G HA3 -0.058 3.901 3.960 -0.000 0.000 0.219 434 G C 0.851 175.759 174.900 0.013 0.000 1.127 434 G CA 0.469 45.579 45.100 0.017 0.000 0.766 434 G HN 0.271 nan 8.290 nan 0.000 0.552 456 V N 5.449 125.383 119.914 0.033 0.000 2.444 456 V HA 0.566 4.686 4.120 -0.000 0.000 0.294 456 V C 0.109 176.227 176.094 0.040 0.000 1.022 456 V CA -0.789 61.541 62.300 0.050 0.000 0.850 456 V CB 1.894 33.739 31.823 0.037 0.000 0.992 456 V HN 0.784 nan 8.190 nan 0.000 0.426 457 V N 6.084 126.038 119.914 0.068 0.000 2.334 457 V HA 0.290 4.409 4.120 -0.000 0.000 0.267 457 V C 0.062 176.167 176.094 0.018 0.000 1.040 457 V CA -0.413 61.901 62.300 0.023 0.000 0.866 457 V CB 1.424 33.284 31.823 0.061 0.000 1.019 457 V HN 0.625 nan 8.190 nan 0.000 0.468 458 V N 7.038 126.968 119.914 0.026 0.000 2.364 458 V HA 0.405 4.525 4.120 -0.000 0.000 0.272 458 V C 0.187 176.298 176.094 0.029 0.000 1.036 458 V CA -0.337 61.988 62.300 0.041 0.000 0.880 458 V CB 1.263 33.120 31.823 0.055 0.000 0.991 458 V HN 0.640 nan 8.190 nan 0.000 0.460 459 I N 4.729 125.310 120.570 0.018 0.000 2.325 459 I HA 0.684 4.854 4.170 -0.000 0.000 0.291 459 I C 0.847 176.978 176.117 0.023 0.000 1.019 459 I CA 0.096 61.403 61.300 0.012 0.000 1.302 459 I CB 0.954 38.945 38.000 -0.015 0.000 1.401 459 I HN 0.862 nan 8.210 nan 0.000 0.485 460 G N 4.356 113.174 108.800 0.029 0.000 2.911 460 G HA2 0.127 4.087 3.960 -0.000 0.000 0.686 460 G HA3 0.127 4.087 3.960 -0.000 0.000 0.686 460 G C -0.337 174.584 174.900 0.035 0.000 1.136 460 G CA -0.295 44.823 45.100 0.030 0.000 0.764 460 G HN 0.973 nan 8.290 nan 0.000 0.626 461 A N 1.306 124.143 122.820 0.029 0.000 2.606 461 A HA 0.792 5.112 4.320 -0.000 0.000 0.290 461 A C 1.334 178.934 177.584 0.027 0.000 1.174 461 A CA 1.204 53.256 52.037 0.026 0.000 0.958 461 A CB -0.045 18.961 19.000 0.010 0.000 1.194 461 A HN 2.185 nan 8.150 nan 0.000 0.526 462 G N -1.238 107.582 108.800 0.032 0.000 2.525 462 G HA2 0.413 4.373 3.960 -0.000 0.000 0.287 462 G HA3 0.413 4.373 3.960 -0.000 0.000 0.287 462 G C 1.172 176.098 174.900 0.044 0.000 1.350 462 G CA 0.110 45.229 45.100 0.033 0.000 1.039 462 G HN 0.514 nan 8.290 nan 0.000 0.513 463 G N -0.223 108.605 108.800 0.047 0.000 2.505 463 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.220 463 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.220 463 G C 1.903 176.845 174.900 0.070 0.000 1.145 463 G CA 1.965 47.098 45.100 0.055 0.000 0.761 463 G HN 0.956 nan 8.290 nan 0.000 0.571 464 A N 0.512 123.382 122.820 0.083 0.000 1.968 464 A HA 0.269 4.589 4.320 -0.000 0.000 0.217 464 A C 2.668 180.315 177.584 0.104 0.000 1.169 464 A CA 1.863 53.962 52.037 0.105 0.000 0.638 464 A CB -0.773 18.300 19.000 0.121 0.000 0.812 464 A HN 0.518 nan 8.150 nan 0.000 0.446 465 G N -0.144 108.706 108.800 0.084 0.000 2.394 465 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.215 465 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.215 465 G C 1.664 176.613 174.900 0.083 0.000 1.165 465 G CA 0.971 46.119 45.100 0.081 0.000 0.784 465 G HN 0.542 nan 8.290 nan 0.000 0.535 466 K N 0.604 121.047 120.400 0.073 0.000 2.009 466 K HA -0.015 4.304 4.320 -0.000 0.000 0.210 466 K C 2.975 179.643 176.600 0.113 0.000 1.049 466 K CA 1.139 57.472 56.287 0.077 0.000 0.929 466 K CB -0.289 32.236 32.500 0.042 0.000 0.714 466 K HN 0.248 nan 8.250 nan 0.000 0.440 467 A N 1.579 124.457 122.820 0.095 0.000 1.883 467 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 467 A C 2.160 179.829 177.584 0.143 0.000 1.186 467 A CA 1.357 53.463 52.037 0.115 0.000 0.624 467 A CB -0.687 18.365 19.000 0.085 0.000 0.822 467 A HN 0.291 nan 8.150 nan 0.000 0.444 468 L N -0.991 120.300 121.223 0.114 0.000 2.027 468 L HA -0.091 4.249 4.340 -0.000 0.000 0.206 468 L C 2.939 179.859 176.870 0.082 0.000 1.074 468 L CA 1.283 56.175 54.840 0.088 0.000 0.745 468 L CB -0.433 41.689 42.059 0.104 0.000 0.898 468 L HN 0.417 nan 8.230 nan 0.000 0.433 469 A N -0.596 122.283 122.820 0.097 0.000 1.851 469 A HA -0.351 3.969 4.320 -0.000 0.000 0.216 469 A C 2.150 179.785 177.584 0.086 0.000 1.195 469 A CA 2.099 54.185 52.037 0.081 0.000 0.622 469 A CB -1.324 17.727 19.000 0.085 0.000 0.831 469 A HN 0.599 nan 8.150 nan 0.000 0.444 470 Y N 0.765 121.075 120.300 0.016 0.000 2.081 470 Y HA -0.202 4.348 4.550 -0.000 0.000 0.280 470 Y C 2.543 178.447 175.900 0.008 0.000 1.163 470 Y CA 1.926 60.033 58.100 0.013 0.000 1.135 470 Y CB -0.912 37.557 38.460 0.015 0.000 0.970 470 Y HN 0.231 nan 8.280 nan 0.000 0.498 471 G N -0.489 108.343 108.800 0.054 0.000 2.442 471 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.219 471 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.219 471 G C 1.803 176.641 174.900 -0.104 0.000 1.141 471 G CA 1.165 46.239 45.100 -0.043 0.000 0.763 471 G HN 0.665 nan 8.290 nan 0.000 0.554 472 A N 1.818 124.600 122.820 -0.063 0.000 1.858 472 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 472 A C 2.273 179.807 177.584 -0.083 0.000 1.190 472 A CA 2.326 54.329 52.037 -0.057 0.000 0.617 472 A CB -0.525 18.463 19.000 -0.021 0.000 0.827 472 A HN 0.543 nan 8.150 nan 0.000 0.443 473 K N -0.469 119.867 120.400 -0.108 0.000 2.152 473 K HA -0.169 4.151 4.320 -0.000 0.000 0.206 473 K C 0.942 177.452 176.600 -0.150 0.000 1.048 473 K CA 1.627 57.846 56.287 -0.113 0.000 0.933 473 K CB -0.315 32.113 32.500 -0.121 0.000 0.721 473 K HN 0.301 nan 8.250 nan 0.000 0.447 474 E N 1.238 121.299 120.200 -0.232 0.000 2.515 474 E HA 0.007 4.357 4.350 -0.000 0.000 0.201 474 E C -0.160 176.370 176.600 -0.116 0.000 1.071 474 E CA 0.786 57.058 56.400 -0.212 0.000 0.880 474 E CB 0.045 29.574 29.700 -0.286 0.000 0.828 474 E HN 0.441 nan 8.360 nan 0.000 0.540 478 K N 0.372 120.778 120.400 0.010 0.000 2.202 478 K HA 0.523 4.843 4.320 -0.000 0.000 0.264 478 K C -0.349 176.264 176.600 0.021 0.000 1.010 478 K CA 0.115 56.414 56.287 0.019 0.000 0.940 478 K CB 1.076 33.597 32.500 0.034 0.000 0.983 478 K HN 1.443 nan 8.250 nan 0.000 0.475 479 V N -1.134 118.795 119.914 0.025 0.000 2.569 479 V HA 0.447 4.567 4.120 -0.000 0.000 0.301 479 V C -0.425 175.689 176.094 0.035 0.000 1.044 479 V CA -1.094 61.222 62.300 0.026 0.000 0.874 479 V CB 1.741 33.577 31.823 0.021 0.000 1.002 479 V HN 0.281 nan 8.190 nan 0.000 0.424 480 V N 6.011 125.942 119.914 0.029 0.000 2.427 480 V HA 0.516 4.636 4.120 -0.000 0.000 0.286 480 V C -0.056 176.060 176.094 0.037 0.000 1.034 480 V CA -0.476 61.850 62.300 0.043 0.000 0.893 480 V CB 1.660 33.504 31.823 0.034 0.000 0.982 480 V HN 0.765 nan 8.190 nan 0.000 0.452 481 I N 4.476 125.074 120.570 0.045 0.000 2.337 481 I HA 0.493 4.663 4.170 -0.000 0.000 0.285 481 I C 0.524 176.673 176.117 0.054 0.000 1.041 481 I CA -0.283 61.040 61.300 0.038 0.000 1.199 481 I CB 0.984 38.996 38.000 0.020 0.000 1.370 481 I HN 0.680 nan 8.210 nan 0.000 0.470 482 A N 5.970 128.826 122.820 0.059 0.000 2.274 482 A HA 0.725 5.045 4.320 -0.000 0.000 0.309 482 A C -0.180 177.446 177.584 0.071 0.000 1.226 482 A CA -0.364 51.724 52.037 0.085 0.000 0.853 482 A CB 0.592 19.638 19.000 0.076 0.000 1.146 482 A HN 0.718 nan 8.150 nan 0.000 0.518 483 N N 0.031 118.788 118.700 0.095 0.000 2.367 483 N HA 0.255 4.995 4.740 -0.000 0.000 0.278 483 N C 0.959 176.532 175.510 0.106 0.000 1.117 483 N CA -0.478 52.617 53.050 0.076 0.000 0.867 483 N CB 1.344 39.861 38.487 0.050 0.000 1.649 483 N HN 0.595 nan 8.380 nan 0.000 0.479 484 R N 0.513 121.058 120.500 0.075 0.000 2.097 484 R HA -0.035 4.305 4.340 -0.000 0.000 0.236 484 R C -0.012 176.348 176.300 0.101 0.000 1.135 484 R CA 1.271 57.416 56.100 0.075 0.000 0.934 484 R CB -1.302 29.026 30.300 0.045 0.000 0.846 484 R HN 0.408 nan 8.270 nan 0.000 0.431 485 T N 1.650 116.253 114.554 0.082 0.000 2.840 485 T HA -0.021 4.329 4.350 -0.000 0.000 0.276 485 T C 0.115 174.890 174.700 0.126 0.000 0.912 485 T CA -0.146 62.008 62.100 0.090 0.000 1.116 485 T CB 0.068 68.968 68.868 0.053 0.000 0.895 485 T HN 0.219 nan 8.240 nan 0.000 0.570 486 Y N 3.242 123.554 120.300 0.020 0.000 2.114 486 Y HA -0.247 4.303 4.550 -0.000 0.000 0.282 486 Y C 2.346 178.260 175.900 0.024 0.000 1.165 486 Y CA 2.018 60.132 58.100 0.024 0.000 1.148 486 Y CB -0.096 38.378 38.460 0.023 0.000 0.972 486 Y HN 0.710 nan 8.280 nan 0.000 0.504 487 E N -0.469 119.759 120.200 0.047 0.000 2.114 487 E HA -0.298 4.051 4.350 -0.000 0.000 0.199 487 E C 2.311 178.864 176.600 -0.078 0.000 1.008 487 E CA 1.524 57.906 56.400 -0.031 0.000 0.810 487 E CB -0.041 29.675 29.700 0.027 0.000 0.739 487 E HN 0.339 nan 8.360 nan 0.000 0.456 488 R N -0.185 120.289 120.500 -0.043 0.000 2.062 488 R HA -0.084 4.256 4.340 -0.000 0.000 0.231 488 R C 2.368 178.626 176.300 -0.071 0.000 1.136 488 R CA 1.200 57.278 56.100 -0.037 0.000 0.948 488 R CB -0.831 29.466 30.300 -0.005 0.000 0.845 488 R HN 0.265 nan 8.270 nan 0.000 0.430 489 A N 1.140 123.899 122.820 -0.101 0.000 1.972 489 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 489 A C 2.178 179.637 177.584 -0.208 0.000 1.169 489 A CA 0.981 52.945 52.037 -0.122 0.000 0.635 489 A CB -0.419 18.522 19.000 -0.098 0.000 0.810 489 A HN 0.178 nan 8.150 nan 0.000 0.446 490 L N 0.005 121.020 121.223 -0.347 0.000 2.005 490 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 490 L C 2.359 179.139 176.870 -0.150 0.000 1.072 490 L CA 2.556 57.195 54.840 -0.335 0.000 0.744 490 L CB -0.661 41.153 42.059 -0.410 0.000 0.895 490 L HN 0.613 nan 8.230 nan 0.000 0.433 491 E N -0.814 119.322 120.200 -0.106 0.000 2.058 491 E HA -0.287 4.063 4.350 -0.000 0.000 0.194 491 E C 2.218 178.799 176.600 -0.033 0.000 0.997 491 E CA 1.771 58.141 56.400 -0.051 0.000 0.801 491 E CB -0.263 29.417 29.700 -0.033 0.000 0.746 491 E HN 0.379 nan 8.360 nan 0.000 0.450 492 L N 1.072 122.276 121.223 -0.032 0.000 1.994 492 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 492 L C 2.392 179.262 176.870 -0.000 0.000 1.071 492 L CA 2.374 57.211 54.840 -0.005 0.000 0.745 492 L CB -1.053 41.007 42.059 0.002 0.000 0.892 492 L HN 0.201 nan 8.230 nan 0.000 0.431 493 A N -0.745 122.062 122.820 -0.023 0.000 1.915 493 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 493 A C 1.727 179.311 177.584 0.000 0.000 1.198 493 A CA 1.991 54.021 52.037 -0.011 0.000 0.647 493 A CB -0.748 18.231 19.000 -0.036 0.000 0.825 493 A HN 0.578 nan 8.150 nan 0.000 0.456 494 E N -0.612 119.581 120.200 -0.011 0.000 2.296 494 E HA 0.404 4.754 4.350 -0.000 0.000 0.196 494 E C 0.922 177.530 176.600 0.012 0.000 1.143 494 E CA 0.637 57.038 56.400 0.001 0.000 1.145 494 E CB -0.108 29.588 29.700 -0.007 0.000 1.215 494 E HN 0.605 nan 8.360 nan 0.000 0.447 495 A N 0.253 123.087 122.820 0.024 0.000 1.917 495 A HA 0.132 4.452 4.320 -0.000 0.000 0.200 495 A C 1.628 179.249 177.584 0.063 0.000 1.671 495 A CA -0.126 51.935 52.037 0.040 0.000 1.034 495 A CB -0.032 18.992 19.000 0.040 0.000 1.057 495 A HN 0.258 nan 8.150 nan 0.000 0.507 496 I N -2.795 117.814 120.570 0.066 0.000 3.861 496 I HA 0.488 4.658 4.170 -0.000 0.000 0.329 496 I C 0.996 177.133 176.117 0.032 0.000 1.321 496 I CA 0.407 61.749 61.300 0.070 0.000 1.126 496 I CB -0.146 37.901 38.000 0.077 0.000 1.018 496 I HN 0.410 nan 8.210 nan 0.000 0.407 497 G N 1.468 110.286 108.800 0.030 0.000 2.324 497 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.292 497 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.292 497 G C 0.153 175.066 174.900 0.021 0.000 1.079 497 G CA -0.012 45.101 45.100 0.021 0.000 1.026 497 G HN 0.917 nan 8.290 nan 0.000 0.506 498 G N -1.065 107.750 108.800 0.024 0.000 2.816 498 G HA2 0.748 4.708 3.960 -0.000 0.000 0.288 498 G HA3 0.748 4.708 3.960 -0.000 0.000 0.288 498 G C -0.596 174.325 174.900 0.034 0.000 1.334 498 G CA -0.387 44.730 45.100 0.030 0.000 0.978 498 G HN 0.518 nan 8.290 nan 0.000 0.493 499 K N -0.232 120.198 120.400 0.050 0.000 2.159 499 K HA 0.683 5.002 4.320 -0.000 0.000 0.266 499 K C 0.154 176.794 176.600 0.066 0.000 0.975 499 K CA -0.523 55.802 56.287 0.064 0.000 0.865 499 K CB 1.564 34.122 32.500 0.096 0.000 1.087 499 K HN 0.607 nan 8.250 nan 0.000 0.446 500 A N 3.080 125.933 122.820 0.055 0.000 2.257 500 A HA 0.666 4.986 4.320 -0.000 0.000 0.289 500 A C -1.233 176.460 177.584 0.181 0.000 1.095 500 A CA -0.651 51.410 52.037 0.040 0.000 0.836 500 A CB 0.689 19.597 19.000 -0.153 0.000 1.111 500 A HN 0.628 nan 8.150 nan 0.000 0.497 501 L N -0.269 121.106 121.223 0.254 0.000 2.549 501 L HA 0.487 4.827 4.340 -0.000 0.000 0.259 501 L C -0.214 176.862 176.870 0.343 0.000 0.934 501 L CA 0.037 55.061 54.840 0.305 0.000 0.865 501 L CB 1.891 44.085 42.059 0.225 0.000 1.352 501 L HN 0.654 nan 8.230 nan 0.000 0.410 502 S N 2.925 118.769 115.700 0.240 0.000 2.510 502 S HA 0.194 4.663 4.470 -0.000 0.000 0.279 502 S C 1.176 175.844 174.600 0.113 0.000 1.284 502 S CA -0.262 58.007 58.200 0.115 0.000 1.059 502 S CB 0.294 63.444 63.200 -0.083 0.000 0.901 502 S HN 0.728 nan 8.310 nan 0.000 0.491 503 L N 6.291 127.581 121.223 0.112 0.000 2.051 503 L HA -0.137 4.203 4.340 -0.000 0.000 0.214 503 L C 2.704 179.611 176.870 0.062 0.000 1.076 503 L CA 2.873 57.763 54.840 0.082 0.000 0.758 503 L CB -1.516 40.583 42.059 0.067 0.000 0.890 503 L HN 0.965 nan 8.230 nan 0.000 0.433 504 T N -4.392 110.188 114.554 0.044 0.000 2.881 504 T HA -0.150 4.199 4.350 -0.000 0.000 0.270 504 T C 1.387 176.116 174.700 0.048 0.000 1.068 504 T CA 1.345 63.465 62.100 0.034 0.000 1.131 504 T CB -0.575 68.301 68.868 0.014 0.000 0.871 504 T HN 0.344 nan 8.240 nan 0.000 0.479 505 D N 0.443 120.879 120.400 0.060 0.000 2.340 505 D HA 0.182 4.822 4.640 -0.000 0.000 0.220 505 D C 1.675 178.055 176.300 0.132 0.000 1.039 505 D CA -0.091 53.957 54.000 0.080 0.000 0.866 505 D CB -0.051 40.791 40.800 0.071 0.000 0.913 505 D HN 0.283 nan 8.370 nan 0.000 0.523 506 L N 1.123 122.422 121.223 0.127 0.000 2.083 506 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 506 L C 1.120 178.098 176.870 0.180 0.000 1.083 506 L CA 1.707 56.639 54.840 0.152 0.000 0.752 506 L CB -0.338 41.780 42.059 0.098 0.000 0.899 506 L HN -0.103 nan 8.230 nan 0.000 0.433 507 D N 0.762 121.246 120.400 0.140 0.000 2.411 507 D HA -0.091 4.549 4.640 -0.000 0.000 0.226 507 D C -0.082 176.331 176.300 0.187 0.000 0.988 507 D CA 0.602 54.690 54.000 0.146 0.000 0.938 507 D CB -0.454 40.405 40.800 0.097 0.000 0.883 507 D HN 0.643 nan 8.370 nan 0.000 0.525 508 N N -0.423 118.401 118.700 0.206 0.000 2.310 508 N HA 0.370 5.110 4.740 -0.000 0.000 0.292 508 N C -1.146 174.513 175.510 0.248 0.000 1.049 508 N CA -0.532 52.633 53.050 0.192 0.000 0.849 508 N CB 2.146 40.694 38.487 0.102 0.000 1.532 508 N HN -0.086 nan 8.380 nan 0.000 0.479 513 D N -0.339 120.043 120.400 -0.030 0.000 2.592 513 D HA 0.516 5.156 4.640 -0.000 0.000 0.263 513 D C 0.781 177.070 176.300 -0.020 0.000 1.132 513 D CA 0.060 54.058 54.000 -0.003 0.000 0.996 513 D CB 1.962 42.802 40.800 0.067 0.000 1.442 513 D HN 0.556 nan 8.370 nan 0.000 0.486 514 G N 0.414 109.208 108.800 -0.010 0.000 2.155 514 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.257 514 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.257 514 G C 0.453 175.358 174.900 0.008 0.000 0.983 514 G CA 0.675 45.781 45.100 0.010 0.000 0.676 514 G HN 0.333 nan 8.290 nan 0.000 0.528 515 M N -0.455 119.108 119.600 -0.060 0.000 2.198 515 M HA 0.517 4.997 4.480 -0.000 0.000 0.315 515 M C 0.678 177.103 176.300 0.210 0.000 1.134 515 M CA -0.258 55.028 55.300 -0.023 0.000 1.171 515 M CB 1.442 33.897 32.600 -0.241 0.000 1.413 515 M HN 0.092 nan 8.290 nan 0.000 0.467 516 V N 2.871 122.940 119.914 0.258 0.000 2.513 516 V HA 0.554 4.674 4.120 -0.000 0.000 0.299 516 V C -1.357 174.899 176.094 0.271 0.000 1.035 516 V CA -0.872 61.589 62.300 0.269 0.000 0.889 516 V CB 1.820 33.721 31.823 0.131 0.000 0.988 516 V HN 0.643 nan 8.190 nan 0.000 0.440 517 L N 6.496 127.759 121.223 0.067 0.000 2.322 517 L HA 0.907 5.247 4.340 -0.000 0.000 0.281 517 L C -0.060 176.794 176.870 -0.027 0.000 1.014 517 L CA 0.038 54.749 54.840 -0.214 0.000 0.815 517 L CB 1.520 43.101 42.059 -0.797 0.000 1.247 517 L HN 0.823 nan 8.230 nan 0.000 0.421 518 A N 4.057 126.893 122.820 0.026 0.000 2.466 518 A HA 0.504 4.824 4.320 -0.000 0.000 0.291 518 A C -0.891 176.738 177.584 0.075 0.000 1.234 518 A CA -0.640 51.502 52.037 0.175 0.000 0.752 518 A CB 0.295 19.467 19.000 0.286 0.000 1.153 518 A HN 0.711 nan 8.150 nan 0.000 0.458 519 N N 1.689 120.368 118.700 -0.035 0.000 2.458 519 N HA 0.348 5.088 4.740 -0.000 0.000 0.270 519 N C 0.823 176.300 175.510 -0.055 0.000 1.102 519 N CA 0.787 53.796 53.050 -0.069 0.000 0.967 519 N CB 1.008 39.420 38.487 -0.125 0.000 1.078 519 N HN 0.513 nan 8.380 nan 0.000 0.471 520 T N -1.095 113.464 114.554 0.007 0.000 3.145 520 T HA 0.157 4.507 4.350 -0.000 0.000 0.281 520 T C 0.545 175.259 174.700 0.023 0.000 1.003 520 T CA -0.129 61.998 62.100 0.044 0.000 0.901 520 T CB -0.749 68.180 68.868 0.102 0.000 1.112 520 T HN 0.507 nan 8.240 nan 0.000 0.535 521 T N -0.945 113.603 114.554 -0.009 0.000 2.897 521 T HA 0.501 4.850 4.350 -0.000 0.000 0.278 521 T C 1.032 175.711 174.700 -0.036 0.000 0.981 521 T CA -0.467 61.625 62.100 -0.013 0.000 0.973 521 T CB 1.397 70.254 68.868 -0.017 0.000 1.092 521 T HN -0.040 nan 8.240 nan 0.000 0.543 522 S N 0.053 115.727 115.700 -0.043 0.000 2.593 522 S HA 0.203 4.673 4.470 -0.000 0.000 0.217 522 S C 0.804 175.353 174.600 -0.084 0.000 0.966 522 S CA -0.216 57.939 58.200 -0.076 0.000 0.914 522 S CB -0.597 62.555 63.200 -0.080 0.000 0.776 522 S HN 0.591 nan 8.310 nan 0.000 0.523 523 M N 1.241 120.802 119.600 -0.064 0.000 2.252 523 M HA 0.243 4.723 4.480 -0.000 0.000 0.348 523 M C 1.553 177.807 176.300 -0.077 0.000 1.334 523 M CA 0.868 56.132 55.300 -0.061 0.000 1.071 523 M CB 0.050 32.623 32.600 -0.046 0.000 1.763 523 M HN 0.416 nan 8.290 nan 0.000 0.452 524 G N 2.632 111.388 108.800 -0.074 0.000 2.258 524 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.233 524 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.233 524 G C 0.142 174.983 174.900 -0.100 0.000 1.006 524 G CA -0.028 45.024 45.100 -0.080 0.000 0.620 524 G HN 0.644 nan 8.290 nan 0.000 0.511 525 M N 2.704 122.227 119.600 -0.128 0.000 2.238 525 M HA 0.414 4.893 4.480 -0.000 0.000 0.347 525 M C 1.269 177.486 176.300 -0.139 0.000 1.173 525 M CA -0.284 54.908 55.300 -0.180 0.000 1.147 525 M CB 0.495 32.937 32.600 -0.263 0.000 1.547 525 M HN 0.493 nan 8.290 nan 0.000 0.455 526 Q N 6.107 125.825 119.800 -0.137 0.000 2.333 526 Q HA 0.072 4.412 4.340 -0.000 0.000 0.299 526 Q C -2.162 173.859 176.000 0.034 0.000 1.067 526 Q CA -1.067 54.716 55.803 -0.034 0.000 0.943 526 Q CB -0.033 28.674 28.738 -0.051 0.000 1.233 526 Q HN 0.490 nan 8.270 nan 0.000 0.401 527 P HA -0.006 nan 4.420 nan 0.000 0.255 527 P C -0.503 176.799 177.300 0.004 0.000 1.248 527 P CA 0.127 63.267 63.100 0.067 0.000 0.807 527 P CB 0.229 31.953 31.700 0.040 0.000 1.150 528 N N 1.298 119.986 118.700 -0.021 0.000 3.111 528 N HA 0.011 4.751 4.740 -0.000 0.000 0.302 528 N C 1.424 176.912 175.510 -0.037 0.000 1.317 528 N CA 0.132 53.163 53.050 -0.031 0.000 1.151 528 N CB 0.409 38.871 38.487 -0.041 0.000 1.456 528 N HN 0.125 nan 8.380 nan 0.000 0.547 529 V N -2.192 117.705 119.914 -0.029 0.000 3.078 529 V HA -0.010 4.109 4.120 -0.000 0.000 0.265 529 V C 1.135 177.211 176.094 -0.029 0.000 1.122 529 V CA 1.282 63.563 62.300 -0.032 0.000 1.141 529 V CB -0.088 31.721 31.823 -0.023 0.000 0.735 529 V HN 0.095 nan 8.190 nan 0.000 0.498 530 E N 0.700 120.884 120.200 -0.026 0.000 2.548 530 E HA 0.265 4.615 4.350 -0.000 0.000 0.206 530 E C 0.367 176.953 176.600 -0.024 0.000 1.005 530 E CA 0.019 56.406 56.400 -0.022 0.000 0.951 530 E CB 0.608 30.298 29.700 -0.018 0.000 1.035 530 E HN 0.892 nan 8.360 nan 0.000 0.470 531 E N 0.800 120.982 120.200 -0.029 0.000 2.191 531 E HA 0.304 4.654 4.350 -0.000 0.000 0.278 531 E C -0.926 175.653 176.600 -0.036 0.000 0.972 531 E CA -0.185 56.197 56.400 -0.030 0.000 0.804 531 E CB 1.363 31.044 29.700 -0.032 0.000 1.110 531 E HN -0.138 nan 8.360 nan 0.000 0.394 532 T N 3.745 118.280 114.554 -0.031 0.000 2.916 532 T HA 0.373 4.723 4.350 -0.000 0.000 0.298 532 T C -2.049 172.632 174.700 -0.031 0.000 1.031 532 T CA -1.709 60.369 62.100 -0.037 0.000 0.993 532 T CB 1.543 70.391 68.868 -0.033 0.000 1.045 532 T HN 0.431 nan 8.240 nan 0.000 0.454 533 P HA 0.254 nan 4.420 nan 0.000 0.234 533 P C 0.171 177.458 177.300 -0.022 0.000 1.167 533 P CA 0.327 63.408 63.100 -0.031 0.000 0.763 533 P CB 0.413 32.086 31.700 -0.045 0.000 0.835 534 I N -1.462 119.093 120.570 -0.025 0.000 2.842 534 I HA 0.211 4.380 4.170 -0.000 0.000 0.297 534 I C -0.747 175.373 176.117 0.005 0.000 1.380 534 I CA -1.054 60.243 61.300 -0.005 0.000 1.018 534 I CB 2.454 40.439 38.000 -0.024 0.000 1.311 534 I HN -0.336 nan 8.210 nan 0.000 0.439 535 S N 4.718 120.436 115.700 0.028 0.000 2.549 535 S HA 0.088 4.558 4.470 -0.000 0.000 0.286 535 S C 1.263 175.882 174.600 0.031 0.000 1.314 535 S CA 0.224 58.441 58.200 0.029 0.000 1.062 535 S CB 0.762 63.987 63.200 0.041 0.000 0.865 535 S HN 0.746 nan 8.310 nan 0.000 0.498 536 K N 3.390 123.801 120.400 0.018 0.000 2.152 536 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 536 K C 0.752 177.364 176.600 0.021 0.000 1.048 536 K CA 1.824 58.120 56.287 0.015 0.000 0.933 536 K CB -0.305 32.199 32.500 0.006 0.000 0.721 536 K HN 0.558 nan 8.250 nan 0.000 0.447 537 D N 1.330 121.743 120.400 0.021 0.000 2.219 537 D HA -0.083 4.557 4.640 -0.000 0.000 0.205 537 D C 1.789 178.097 176.300 0.013 0.000 0.970 537 D CA 1.366 55.372 54.000 0.010 0.000 0.851 537 D CB 0.066 40.875 40.800 0.015 0.000 0.943 537 D HN 0.490 nan 8.370 nan 0.000 0.488 538 A N 0.344 123.206 122.820 0.070 0.000 2.169 538 A HA 0.075 4.395 4.320 -0.000 0.000 0.212 538 A C 2.195 179.914 177.584 0.226 0.000 1.153 538 A CA 0.014 52.144 52.037 0.154 0.000 0.756 538 A CB -0.362 18.764 19.000 0.209 0.000 0.813 538 A HN 0.142 nan 8.150 nan 0.000 0.471 539 L N -0.943 120.373 121.223 0.154 0.000 2.275 539 L HA -0.126 4.214 4.340 -0.000 0.000 0.215 539 L C 2.391 179.381 176.870 0.201 0.000 1.119 539 L CA 1.147 56.114 54.840 0.212 0.000 0.790 539 L CB -0.274 41.834 42.059 0.081 0.000 0.919 539 L HN 0.242 nan 8.230 nan 0.000 0.443 540 K N -0.040 120.375 120.400 0.024 0.000 2.074 540 K HA -0.199 4.121 4.320 -0.000 0.000 0.209 540 K C 1.916 178.471 176.600 -0.074 0.000 1.048 540 K CA 1.463 57.702 56.287 -0.079 0.000 0.926 540 K CB -0.222 32.142 32.500 -0.227 0.000 0.713 540 K HN 0.322 nan 8.250 nan 0.000 0.444 541 H N -1.124 117.959 119.070 0.021 0.000 2.568 541 H HA -0.010 4.546 4.556 -0.000 0.000 0.275 541 H C -0.360 174.739 175.328 -0.382 0.000 1.028 541 H CA 0.528 56.476 56.048 -0.167 0.000 1.173 541 H CB -0.415 29.204 29.762 -0.237 0.000 1.335 541 H HN 0.137 nan 8.280 nan 0.000 0.614 542 Y N -1.183 119.180 120.300 0.106 0.000 2.409 542 Y HA 0.448 4.998 4.550 -0.000 0.000 0.343 542 Y C 0.951 176.880 175.900 0.048 0.000 0.973 542 Y CA -0.571 57.570 58.100 0.069 0.000 1.064 542 Y CB 1.806 40.297 38.460 0.051 0.000 1.207 542 Y HN -0.062 nan 8.280 nan 0.000 0.452 543 A N 2.987 125.918 122.820 0.185 0.000 1.878 543 A HA 0.182 4.502 4.320 -0.000 0.000 0.213 543 A C 0.008 177.664 177.584 0.120 0.000 1.192 543 A CA 0.748 52.856 52.037 0.117 0.000 0.619 543 A CB 0.110 19.158 19.000 0.081 0.000 0.837 543 A HN 0.669 nan 8.150 nan 0.000 0.446 544 L N -0.501 120.807 121.223 0.143 0.000 2.408 544 L HA 0.711 5.051 4.340 -0.000 0.000 0.268 544 L C -1.486 175.455 176.870 0.118 0.000 0.986 544 L CA -0.801 54.108 54.840 0.114 0.000 0.820 544 L CB 2.287 44.401 42.059 0.092 0.000 1.303 544 L HN 0.015 nan 8.230 nan 0.000 0.411 545 V N 5.155 125.123 119.914 0.090 0.000 2.487 545 V HA 0.543 4.663 4.120 -0.000 0.000 0.298 545 V C -1.344 174.826 176.094 0.127 0.000 1.028 545 V CA -0.395 61.935 62.300 0.050 0.000 0.860 545 V CB 1.666 33.476 31.823 -0.022 0.000 0.991 545 V HN 0.626 nan 8.190 nan 0.000 0.427 546 F N 6.140 126.076 119.950 -0.024 0.000 2.495 546 F HA 0.747 5.274 4.527 -0.000 0.000 0.327 546 F C -0.698 175.100 175.800 -0.003 0.000 1.103 546 F CA -0.639 57.362 58.000 0.001 0.000 0.949 546 F CB 1.838 40.846 39.000 0.014 0.000 1.142 546 F HN 0.526 nan 8.300 nan 0.000 0.457 547 D N 3.966 123.823 120.400 -0.905 0.000 2.593 547 D HA 0.437 5.076 4.640 -0.000 0.000 0.251 547 D C 0.224 175.893 176.300 -1.052 0.000 1.140 547 D CA -0.179 53.359 54.000 -0.770 0.000 0.855 547 D CB 2.168 42.769 40.800 -0.332 0.000 1.267 547 D HN 0.722 nan 8.370 nan 0.000 0.532 548 A N 3.116 125.423 122.820 -0.856 0.000 2.168 548 A HA 0.088 4.408 4.320 -0.000 0.000 0.215 548 A C 0.912 178.475 177.584 -0.036 0.000 1.152 548 A CA 0.300 52.130 52.037 -0.344 0.000 0.716 548 A CB 0.095 19.085 19.000 -0.016 0.000 0.794 548 A HN 0.414 nan 8.150 nan 0.000 0.465 549 V N 0.663 120.512 119.914 -0.109 0.000 2.572 549 V HA 0.083 4.203 4.120 -0.000 0.000 0.291 549 V C 0.694 176.792 176.094 0.008 0.000 1.039 549 V CA 0.632 62.896 62.300 -0.060 0.000 1.055 549 V CB 0.134 31.879 31.823 -0.130 0.000 0.969 549 V HN 0.673 nan 8.190 nan 0.000 0.482 550 Y N 1.709 121.955 120.300 -0.091 0.000 2.527 550 Y HA 0.415 4.965 4.550 -0.000 0.000 0.247 550 Y C 0.687 176.525 175.900 -0.103 0.000 1.138 550 Y CA -0.430 57.615 58.100 -0.093 0.000 1.228 550 Y CB -0.064 38.324 38.460 -0.120 0.000 1.252 550 Y HN 0.521 nan 8.280 nan 0.000 0.531 551 T N 0.982 115.248 114.554 -0.480 0.000 2.963 551 T HA 0.471 4.821 4.350 -0.000 0.000 0.328 551 T C -3.075 171.472 174.700 -0.254 0.000 1.048 551 T CA -2.109 59.764 62.100 -0.379 0.000 1.033 551 T CB 2.288 70.857 68.868 -0.498 0.000 1.010 551 T HN -0.031 nan 8.240 nan 0.000 0.469 552 P HA 0.236 nan 4.420 nan 0.000 0.274 552 P C 0.748 178.008 177.300 -0.066 0.000 1.246 552 P CA -0.641 62.398 63.100 -0.103 0.000 0.795 552 P CB 1.579 33.238 31.700 -0.068 0.000 1.006 553 R N 0.963 121.451 120.500 -0.020 0.000 2.081 553 R HA -0.024 4.316 4.340 -0.000 0.000 0.235 553 R C 0.575 176.882 176.300 0.011 0.000 1.131 553 R CA 1.229 57.345 56.100 0.027 0.000 0.960 553 R CB -0.079 30.249 30.300 0.047 0.000 0.856 553 R HN 0.411 nan 8.270 nan 0.000 0.436 554 I N 2.873 123.440 120.570 -0.005 0.000 2.347 554 I HA 0.088 4.258 4.170 -0.000 0.000 0.283 554 I C 0.300 176.400 176.117 -0.028 0.000 1.058 554 I CA -0.213 61.081 61.300 -0.011 0.000 1.202 554 I CB 0.546 38.544 38.000 -0.004 0.000 1.386 554 I HN 0.211 nan 8.210 nan 0.000 0.475 555 T N 2.388 116.917 114.554 -0.041 0.000 2.754 555 T HA 0.251 4.601 4.350 -0.000 0.000 0.286 555 T C 1.337 176.011 174.700 -0.043 0.000 0.997 555 T CA -0.434 61.634 62.100 -0.053 0.000 0.982 555 T CB 1.610 70.434 68.868 -0.074 0.000 1.027 555 T HN 0.593 nan 8.240 nan 0.000 0.529 556 R N -0.584 119.890 120.500 -0.043 0.000 2.092 556 R HA -0.056 4.284 4.340 -0.000 0.000 0.231 556 R C 2.277 178.556 176.300 -0.036 0.000 1.119 556 R CA 1.114 57.194 56.100 -0.034 0.000 0.970 556 R CB -0.589 29.692 30.300 -0.032 0.000 0.864 556 R HN 0.639 nan 8.270 nan 0.000 0.440 557 L N 1.240 122.434 121.223 -0.049 0.000 1.989 557 L HA -0.176 4.164 4.340 -0.000 0.000 0.211 557 L C 2.013 178.855 176.870 -0.048 0.000 1.071 557 L CA 1.792 56.599 54.840 -0.056 0.000 0.749 557 L CB -0.578 41.432 42.059 -0.080 0.000 0.890 557 L HN 0.233 nan 8.230 nan 0.000 0.431 558 L N -0.740 120.455 121.223 -0.048 0.000 2.083 558 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 558 L C 2.841 179.702 176.870 -0.015 0.000 1.083 558 L CA 1.560 56.382 54.840 -0.030 0.000 0.752 558 L CB -0.567 41.476 42.059 -0.027 0.000 0.899 558 L HN 0.385 nan 8.230 nan 0.000 0.433 559 R N 0.617 121.107 120.500 -0.017 0.000 2.070 559 R HA -0.174 4.166 4.340 -0.000 0.000 0.233 559 R C 2.058 178.354 176.300 -0.007 0.000 1.137 559 R CA 1.684 57.779 56.100 -0.010 0.000 0.945 559 R CB -0.087 30.206 30.300 -0.012 0.000 0.845 559 R HN 0.392 nan 8.270 nan 0.000 0.430 560 E N -0.224 119.969 120.200 -0.011 0.000 2.268 560 E HA -0.125 4.225 4.350 -0.000 0.000 0.195 560 E C 1.800 178.399 176.600 -0.002 0.000 0.995 560 E CA 0.766 57.162 56.400 -0.006 0.000 0.836 560 E CB 0.041 29.735 29.700 -0.009 0.000 0.763 560 E HN 0.460 nan 8.360 nan 0.000 0.491 561 A N 1.622 124.439 122.820 -0.005 0.000 1.897 561 A HA -0.221 4.099 4.320 -0.000 0.000 0.215 561 A C 2.082 179.675 177.584 0.015 0.000 1.181 561 A CA 1.415 53.455 52.037 0.004 0.000 0.620 561 A CB -0.325 18.672 19.000 -0.005 0.000 0.821 561 A HN 0.242 nan 8.150 nan 0.000 0.443 562 E N 0.239 120.446 120.200 0.011 0.000 2.106 562 E HA -0.197 4.153 4.350 -0.000 0.000 0.192 562 E C 1.560 178.167 176.600 0.012 0.000 0.984 562 E CA 1.208 57.617 56.400 0.014 0.000 0.806 562 E CB -0.162 29.545 29.700 0.011 0.000 0.750 562 E HN 0.736 nan 8.360 nan 0.000 0.458 563 E N 0.032 120.236 120.200 0.008 0.000 2.472 563 E HA -0.077 4.273 4.350 -0.000 0.000 0.200 563 E C 1.475 178.080 176.600 0.007 0.000 1.046 563 E CA 0.467 56.870 56.400 0.006 0.000 0.871 563 E CB 0.108 29.809 29.700 0.002 0.000 0.806 563 E HN 0.039 nan 8.360 nan 0.000 0.533 564 S N -0.822 114.885 115.700 0.012 0.000 2.540 564 S HA 0.201 4.671 4.470 -0.000 0.000 0.218 564 S C 1.395 176.007 174.600 0.020 0.000 0.977 564 S CA 0.560 58.769 58.200 0.015 0.000 0.918 564 S CB 0.175 63.389 63.200 0.024 0.000 0.806 564 S HN 0.425 nan 8.310 nan 0.000 0.496 565 G N 0.781 109.593 108.800 0.019 0.000 2.184 565 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.264 565 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.264 565 G C 0.329 175.248 174.900 0.031 0.000 0.975 565 G CA 0.230 45.343 45.100 0.021 0.000 0.642 565 G HN 1.112 nan 8.290 nan 0.000 0.536 566 A N -0.338 122.506 122.820 0.041 0.000 2.332 566 A HA 0.718 5.037 4.320 -0.000 0.000 0.258 566 A C 0.432 178.045 177.584 0.048 0.000 1.087 566 A CA 0.237 52.308 52.037 0.056 0.000 0.802 566 A CB 0.584 19.632 19.000 0.079 0.000 1.042 566 A HN 1.551 nan 8.150 nan 0.000 0.489 567 I N 0.932 121.535 120.570 0.055 0.000 2.474 567 I HA 0.454 4.624 4.170 -0.000 0.000 0.287 567 I C 0.522 176.676 176.117 0.061 0.000 1.048 567 I CA 0.454 61.784 61.300 0.050 0.000 1.383 567 I CB 1.205 39.234 38.000 0.048 0.000 1.412 567 I HN 0.658 nan 8.210 nan 0.000 0.531 568 T N 4.912 119.500 114.554 0.058 0.000 2.792 568 T HA 0.652 5.002 4.350 -0.000 0.000 0.280 568 T C -0.602 174.157 174.700 0.097 0.000 0.990 568 T CA -0.744 61.397 62.100 0.069 0.000 0.960 568 T CB 1.145 70.040 68.868 0.044 0.000 0.939 568 T HN 0.367 nan 8.240 nan 0.000 0.439 569 V N 3.400 123.409 119.914 0.159 0.000 2.293 569 V HA 0.421 4.541 4.120 -0.000 0.000 0.275 569 V C 0.894 177.150 176.094 0.270 0.000 1.021 569 V CA -0.775 61.664 62.300 0.233 0.000 0.815 569 V CB 0.707 32.719 31.823 0.315 0.000 1.025 569 V HN 1.150 nan 8.190 nan 0.000 0.448 570 S N 4.098 119.905 115.700 0.177 0.000 2.569 570 S HA 0.168 4.638 4.470 -0.000 0.000 0.274 570 S C 1.663 176.380 174.600 0.195 0.000 1.353 570 S CA 0.494 58.775 58.200 0.134 0.000 1.023 570 S CB 1.175 64.451 63.200 0.127 0.000 0.876 570 S HN 0.956 nan 8.310 nan 0.000 0.540 571 G N 1.695 110.559 108.800 0.107 0.000 2.443 571 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.219 571 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.219 571 G C 1.716 176.772 174.900 0.260 0.000 1.131 571 G CA 0.910 46.108 45.100 0.163 0.000 0.775 571 G HN 1.004 nan 8.290 nan 0.000 0.547 572 S N 0.910 116.757 115.700 0.244 0.000 2.387 572 S HA -0.148 4.322 4.470 -0.000 0.000 0.230 572 S C 1.960 176.734 174.600 0.289 0.000 1.035 572 S CA 1.627 59.971 58.200 0.240 0.000 1.014 572 S CB -0.257 63.090 63.200 0.244 0.000 0.836 572 S HN 0.352 nan 8.310 nan 0.000 0.466 573 E N 1.002 121.409 120.200 0.345 0.000 2.077 573 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 573 E C 2.067 178.835 176.600 0.280 0.000 0.989 573 E CA 1.203 57.859 56.400 0.427 0.000 0.800 573 E CB -0.455 29.444 29.700 0.331 0.000 0.746 573 E HN 0.575 nan 8.360 nan 0.000 0.452 574 M N -0.062 119.696 119.600 0.263 0.000 2.193 574 M HA -0.088 4.392 4.480 -0.000 0.000 0.265 574 M C 2.137 178.435 176.300 -0.004 0.000 1.071 574 M CA 1.035 56.428 55.300 0.155 0.000 1.140 574 M CB -0.586 32.243 32.600 0.381 0.000 1.369 574 M HN 0.028 nan 8.290 nan 0.000 0.423 575 F N 1.166 121.026 119.950 -0.149 0.000 2.095 575 F HA -0.199 4.328 4.527 -0.000 0.000 0.298 575 F C 2.019 177.554 175.800 -0.442 0.000 1.104 575 F CA 1.969 59.751 58.000 -0.363 0.000 1.232 575 F CB -0.767 37.811 39.000 -0.703 0.000 0.987 575 F HN -0.014 nan 8.300 nan 0.000 0.475 576 V N 1.015 120.601 119.914 -0.547 0.000 2.295 576 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 576 V C 2.556 177.951 176.094 -1.165 0.000 1.049 576 V CA 2.242 64.013 62.300 -0.881 0.000 1.024 576 V CB -0.699 30.443 31.823 -1.135 0.000 0.648 576 V HN 0.283 nan 8.190 nan 0.000 0.447 577 R N 0.499 120.399 120.500 -1.000 0.000 2.080 577 R HA -0.251 4.089 4.340 -0.000 0.000 0.236 577 R C 2.442 178.055 176.300 -1.145 0.000 1.137 577 R CA 2.006 57.345 56.100 -1.268 0.000 0.943 577 R CB -0.488 29.514 30.300 -0.497 0.000 0.846 577 R HN 0.745 nan 8.270 nan 0.000 0.431 578 Q N 0.405 119.798 119.800 -0.679 0.000 2.224 578 Q HA -0.029 4.310 4.340 -0.000 0.000 0.203 578 Q C 1.733 177.393 176.000 -0.567 0.000 0.970 578 Q CA 1.727 57.236 55.803 -0.490 0.000 0.865 578 Q CB -0.270 28.302 28.738 -0.277 0.000 0.922 578 Q HN 0.277 nan 8.270 nan 0.000 0.445 579 A N 0.763 123.106 122.820 -0.795 0.000 1.872 579 A HA -0.087 4.233 4.320 -0.000 0.000 0.214 579 A C 1.920 179.065 177.584 -0.731 0.000 1.187 579 A CA 1.163 52.777 52.037 -0.706 0.000 0.614 579 A CB -1.009 17.388 19.000 -1.005 0.000 0.826 579 A HN 0.670 nan 8.150 nan 0.000 0.442 580 Y N -0.588 119.088 120.300 -1.040 0.000 2.421 580 Y HA 0.063 4.613 4.550 -0.000 0.000 0.292 580 Y C 1.664 177.268 175.900 -0.492 0.000 1.136 580 Y CA 0.733 58.164 58.100 -1.115 0.000 1.255 580 Y CB -0.622 37.211 38.460 -1.045 0.000 0.991 580 Y HN 0.211 nan 8.280 nan 0.000 0.552 581 E N 0.946 121.014 120.200 -0.221 0.000 2.152 581 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 581 E C 1.937 178.362 176.600 -0.292 0.000 0.983 581 E CA 0.990 57.295 56.400 -0.158 0.000 0.818 581 E CB -0.160 29.423 29.700 -0.195 0.000 0.758 581 E HN 0.742 nan 8.360 nan 0.000 0.467 582 Q N -0.490 119.077 119.800 -0.387 0.000 2.172 582 Q HA -0.083 4.257 4.340 -0.000 0.000 0.200 582 Q C 2.031 177.587 176.000 -0.741 0.000 0.964 582 Q CA 0.712 56.112 55.803 -0.671 0.000 0.855 582 Q CB -0.212 28.159 28.738 -0.611 0.000 0.918 582 Q HN 0.225 nan 8.270 nan 0.000 0.444 583 F N 2.053 121.741 119.950 -0.436 0.000 2.126 583 F HA -0.241 4.286 4.527 -0.000 0.000 0.299 583 F C 2.187 177.845 175.800 -0.237 0.000 1.096 583 F CA 1.783 59.677 58.000 -0.177 0.000 1.255 583 F CB 0.012 39.013 39.000 0.003 0.000 0.997 583 F HN 0.037 nan 8.300 nan 0.000 0.479 584 E N 0.444 120.585 120.200 -0.097 0.000 2.077 584 E HA -0.221 4.128 4.350 -0.000 0.000 0.193 584 E C 2.295 178.689 176.600 -0.344 0.000 0.989 584 E CA 1.804 58.100 56.400 -0.174 0.000 0.800 584 E CB -0.283 29.366 29.700 -0.086 0.000 0.746 584 E HN 0.579 nan 8.360 nan 0.000 0.452 585 I N 0.165 120.466 120.570 -0.448 0.000 2.252 585 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 585 I C 1.884 177.803 176.117 -0.330 0.000 1.102 585 I CA 0.786 61.794 61.300 -0.487 0.000 1.385 585 I CB -0.227 37.370 38.000 -0.671 0.000 1.064 585 I HN 0.131 nan 8.210 nan 0.000 0.414 586 F N 0.853 120.597 119.950 -0.343 0.000 2.146 586 F HA -0.171 4.356 4.527 -0.000 0.000 0.298 586 F C 2.926 178.400 175.800 -0.543 0.000 1.096 586 F CA 1.700 59.470 58.000 -0.384 0.000 1.275 586 F CB -1.585 37.050 39.000 -0.608 0.000 1.008 586 F HN 0.174 nan 8.300 nan 0.000 0.480 587 T N -3.768 110.369 114.554 -0.695 0.000 3.031 587 T HA 0.359 4.709 4.350 -0.000 0.000 0.254 587 T C 1.857 176.271 174.700 -0.476 0.000 1.060 587 T CA 0.763 62.258 62.100 -1.008 0.000 1.135 587 T CB -0.150 67.717 68.868 -1.668 0.000 0.896 587 T HN 0.453 nan 8.240 nan 0.000 0.472 588 G N 1.286 109.871 108.800 -0.357 0.000 2.143 588 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.249 588 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.249 588 G C -0.156 174.650 174.900 -0.156 0.000 0.981 588 G CA 0.246 45.230 45.100 -0.193 0.000 0.665 588 G HN 0.659 nan 8.290 nan 0.000 0.528 589 L N 0.168 121.268 121.223 -0.206 0.000 2.331 589 L HA 0.522 4.862 4.340 -0.000 0.000 0.275 589 L C -2.023 174.889 176.870 0.071 0.000 1.022 589 L CA -2.596 52.218 54.840 -0.043 0.000 0.812 589 L CB 1.645 43.712 42.059 0.014 0.000 1.257 589 L HN -0.194 nan 8.230 nan 0.000 0.435 590 P HA -0.040 nan 4.420 nan 0.000 0.262 590 P C -0.628 176.730 177.300 0.097 0.000 1.182 590 P CA -0.071 63.059 63.100 0.050 0.000 0.761 590 P CB 0.504 32.214 31.700 0.017 0.000 0.795 591 A N 6.585 129.424 122.820 0.031 0.000 2.537 591 A HA 0.172 4.492 4.320 -0.000 0.000 0.260 591 A C -1.659 175.805 177.584 -0.199 0.000 1.082 591 A CA -0.683 51.328 52.037 -0.045 0.000 0.765 591 A CB -0.869 18.054 19.000 -0.129 0.000 1.019 591 A HN 0.388 nan 8.150 nan 0.000 0.507 592 P HA 0.176 nan 4.420 nan 0.000 0.232 592 P C 0.304 177.485 177.300 -0.198 0.000 1.814 592 P CA -0.340 62.634 63.100 -0.210 0.000 1.085 592 P CB 0.470 32.012 31.700 -0.264 0.000 1.901 593 K N 1.526 121.697 120.400 -0.381 0.000 2.001 593 K HA -0.202 4.118 4.320 -0.000 0.000 0.214 593 K C 1.678 178.268 176.600 -0.016 0.000 1.050 593 K CA 1.786 57.764 56.287 -0.515 0.000 0.934 593 K CB -0.150 31.971 32.500 -0.632 0.000 0.718 593 K HN 0.353 nan 8.250 nan 0.000 0.443 594 E N 0.868 121.105 120.200 0.062 0.000 2.097 594 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 594 E C 1.987 178.664 176.600 0.129 0.000 1.000 594 E CA 1.052 57.553 56.400 0.169 0.000 0.804 594 E CB -0.146 29.593 29.700 0.064 0.000 0.740 594 E HN 0.120 nan 8.360 nan 0.000 0.454 595 L N 0.016 121.248 121.223 0.016 0.000 1.989 595 L HA -0.221 4.119 4.340 -0.000 0.000 0.211 595 L C 1.952 178.768 176.870 -0.091 0.000 1.071 595 L CA 1.835 56.640 54.840 -0.059 0.000 0.749 595 L CB -0.692 41.271 42.059 -0.159 0.000 0.890 595 L HN 0.141 nan 8.230 nan 0.000 0.431 596 Y N -1.560 118.636 120.300 -0.172 0.000 2.165 596 Y HA -0.312 4.238 4.550 -0.000 0.000 0.286 596 Y C 2.240 178.036 175.900 -0.174 0.000 1.155 596 Y CA 2.376 60.335 58.100 -0.235 0.000 1.164 596 Y CB -0.636 37.635 38.460 -0.315 0.000 0.978 596 Y HN 0.245 nan 8.280 nan 0.000 0.513 597 W N -0.059 121.326 121.300 0.141 0.000 2.358 597 W HA -0.231 4.429 4.660 -0.000 0.000 0.303 597 W C 2.707 179.246 176.519 0.033 0.000 1.208 597 W CA 1.496 58.895 57.345 0.089 0.000 1.274 597 W CB -0.574 28.928 29.460 0.069 0.000 1.138 597 W HN 0.056 nan 8.180 nan 0.000 0.515 598 Q N 0.833 120.769 119.800 0.226 0.000 2.050 598 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 598 Q C 2.012 178.046 176.000 0.057 0.000 0.980 598 Q CA 1.989 57.855 55.803 0.104 0.000 0.840 598 Q CB -0.488 28.284 28.738 0.057 0.000 0.898 598 Q HN 0.366 nan 8.270 nan 0.000 0.424 599 I N 0.416 121.008 120.570 0.036 0.000 2.179 599 I HA -0.307 3.863 4.170 -0.000 0.000 0.242 599 I C 2.590 178.773 176.117 0.109 0.000 1.088 599 I CA 1.091 62.448 61.300 0.095 0.000 1.357 599 I CB -0.231 37.702 38.000 -0.112 0.000 1.051 599 I HN 0.329 nan 8.210 nan 0.000 0.409 600 M N 0.415 120.058 119.600 0.072 0.000 2.080 600 M HA -0.225 4.255 4.480 -0.000 0.000 0.260 600 M C 2.540 178.906 176.300 0.109 0.000 1.068 600 M CA 2.014 57.381 55.300 0.112 0.000 1.109 600 M CB -0.502 32.182 32.600 0.140 0.000 1.342 600 M HN 0.177 nan 8.290 nan 0.000 0.405 601 S N -0.499 115.266 115.700 0.108 0.000 2.356 601 S HA -0.218 4.252 4.470 -0.000 0.000 0.223 601 S C 2.116 176.696 174.600 -0.034 0.000 1.032 601 S CA 1.960 60.197 58.200 0.061 0.000 1.005 601 S CB -0.371 62.871 63.200 0.070 0.000 0.867 601 S HN 0.608 nan 8.310 nan 0.000 0.449 602 K N -1.562 118.758 120.400 -0.133 0.000 2.186 602 K HA 0.027 4.347 4.320 -0.000 0.000 0.202 602 K C 1.002 177.306 176.600 -0.494 0.000 1.052 602 K CA 0.994 57.053 56.287 -0.380 0.000 0.965 602 K CB -0.040 32.084 32.500 -0.628 0.000 0.746 602 K HN 0.522 nan 8.250 nan 0.000 0.457 603 Y N -1.714 118.584 120.300 -0.003 0.000 2.426 603 Y HA 0.309 4.859 4.550 -0.000 0.000 0.249 603 Y C 1.491 177.398 175.900 0.012 0.000 1.103 603 Y CA -0.008 58.087 58.100 -0.008 0.000 1.256 603 Y CB 1.252 39.684 38.460 -0.046 0.000 1.208 603 Y HN 0.076 nan 8.280 nan 0.000 0.519 604 G N -0.730 108.158 108.800 0.146 0.000 3.805 604 G HA2 0.120 4.080 3.960 -0.000 0.000 0.290 604 G HA3 0.120 4.080 3.960 -0.000 0.000 0.290 604 G C 0.849 175.811 174.900 0.104 0.000 1.077 604 G CA 0.393 45.570 45.100 0.128 0.000 0.852 604 G HN 0.272 nan 8.290 nan 0.000 0.531 605 S N -0.329 115.417 115.700 0.076 0.000 2.517 605 S HA 0.243 4.713 4.470 -0.000 0.000 0.214 605 S C 0.965 175.590 174.600 0.042 0.000 0.991 605 S CA -0.483 57.751 58.200 0.056 0.000 0.906 605 S CB 0.438 63.659 63.200 0.035 0.000 0.789 605 S HN 0.111 nan 8.310 nan 0.000 0.513 606 R N 2.643 123.171 120.500 0.046 0.000 2.543 606 R HA 0.396 4.736 4.340 -0.000 0.000 0.277 606 R C 0.194 176.495 176.300 0.003 0.000 1.074 606 R CA 0.230 56.346 56.100 0.026 0.000 1.076 606 R CB 0.148 30.469 30.300 0.035 0.000 0.993 606 R HN 0.467 nan 8.270 nan 0.000 0.459 607 E N 1.466 121.655 120.200 -0.018 0.000 2.239 607 E HA 0.191 4.541 4.350 -0.000 0.000 0.261 607 E C 0.182 176.738 176.600 -0.072 0.000 1.016 607 E CA -0.871 55.499 56.400 -0.050 0.000 0.882 607 E CB 0.754 30.432 29.700 -0.036 0.000 1.190 607 E HN 0.401 nan 8.360 nan 0.000 0.415 608 N N 0.154 118.788 118.700 -0.111 0.000 2.735 608 N HA -0.208 4.532 4.740 -0.000 0.000 0.248 608 N C -0.669 174.755 175.510 -0.143 0.000 1.083 608 N CA 0.598 53.603 53.050 -0.075 0.000 0.703 608 N CB -1.444 37.072 38.487 0.049 0.000 1.005 608 N HN 0.364 nan 8.380 nan 0.000 0.550 609 L N 0.654 121.665 121.223 -0.354 0.000 2.289 609 L HA 0.394 4.734 4.340 -0.000 0.000 0.285 609 L C -0.261 176.147 176.870 -0.769 0.000 1.049 609 L CA -0.560 54.010 54.840 -0.449 0.000 0.804 609 L CB 0.634 42.444 42.059 -0.414 0.000 1.195 609 L HN -0.007 nan 8.230 nan 0.000 0.428 610 Y N 2.466 122.448 120.300 -0.530 0.000 2.338 610 Y HA 0.389 4.939 4.550 -0.000 0.000 0.333 610 Y C -0.565 175.001 175.900 -0.557 0.000 0.968 610 Y CA -0.564 57.293 58.100 -0.404 0.000 1.123 610 Y CB 1.383 39.730 38.460 -0.187 0.000 1.165 610 Y HN 0.288 nan 8.280 nan 0.000 0.452 611 F N 4.025 123.955 119.950 -0.034 0.000 2.335 611 F HA 0.478 5.005 4.527 -0.000 0.000 0.365 611 F C 0.219 175.948 175.800 -0.119 0.000 1.122 611 F CA -0.463 57.474 58.000 -0.105 0.000 1.151 611 F CB 0.574 39.395 39.000 -0.298 0.000 1.282 611 F HN 0.482 nan 8.300 nan 0.000 0.513 612 Q N 0.000 119.863 119.800 0.106 0.000 2.315 612 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 612 Q CA 0.000 55.854 55.803 0.085 0.000 1.022 612 Q CB 0.000 28.778 28.738 0.066 0.000 1.108 612 Q HN 0.000 nan 8.270 nan 0.000 0.481