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 1z4z_1_A DATA FIRST_RESID 118 DATA SEQUENCE INDNRYINGI NQFYFSIAEG RNLTLGPLLN MPSFIPTATT PEGcTRIPSF DATA SEQUENCE SLTKTHWcYT HNVILNGcQD HVSSNQFVSM GIIEPTSAGF PFFRTLKTLY DATA SEQUENCE LSDGVNRKSc SISTVPGGcM MYcFVSTQPE RDDYFSAAPP EQRIIIMYYN DATA SEQUENCE DTIVERIINP PGVLDVWATL NPGTGSGVYY LGWVLFPIYG GVIKGTSLWN DATA SEQUENCE NQANKYFIPQ MVAALCSQNQ ATQVQNAKSS YYSSWFGNRM IQSGILAcPL DATA SEQUENCE RQDLTNEcLV LPFSNDQVLM GAEGRLYMYG DSVYYYQRSN SWWPMTMLYK DATA SEQUENCE VTITFTNGQP SAISAQNVPT QQVPRPGTGD cSATNRCPGF cLTGVYADAW DATA SEQUENCE LLTNPSSTST FGSEATFTGS YLNTATQRIN PTMYIANNTQ IISSQQFGSS DATA SEQUENCE GQEAAYGHTT cFRDTGSVMV YcIYIIELSS SLLGQFQIVP FIRQVTLS 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 118 I HA 0.000 nan 4.170 nan 0.000 0.288 118 I C 0.000 176.057 176.117 -0.100 0.000 1.063 118 I CA 0.000 61.208 61.300 -0.154 0.000 1.566 118 I CB 0.000 37.938 38.000 -0.103 0.000 1.214 119 N N 4.172 122.834 118.700 -0.064 0.000 2.416 119 N HA 0.039 4.779 4.740 -0.000 0.000 0.246 119 N C -0.743 174.780 175.510 0.022 0.000 1.260 119 N CA 0.147 53.186 53.050 -0.018 0.000 0.897 119 N CB 0.425 38.915 38.487 0.006 0.000 1.110 119 N HN 0.565 nan 8.380 nan 0.000 0.439 120 D N 0.518 120.964 120.400 0.078 0.000 2.400 120 D HA -0.040 4.600 4.640 -0.000 0.000 0.238 120 D C 0.677 176.948 176.300 -0.049 0.000 1.157 120 D CA -0.212 53.795 54.000 0.012 0.000 0.889 120 D CB 0.696 41.501 40.800 0.007 0.000 1.199 120 D HN 0.274 nan 8.370 nan 0.000 0.436 121 N N 2.075 120.729 118.700 -0.077 0.000 2.334 121 N HA -0.141 4.599 4.740 -0.000 0.000 0.187 121 N C 1.402 176.829 175.510 -0.138 0.000 1.016 121 N CA 0.660 53.664 53.050 -0.076 0.000 0.879 121 N CB -0.067 38.385 38.487 -0.059 0.000 0.965 121 N HN 0.412 nan 8.380 nan 0.000 0.438 122 R N -0.576 119.736 120.500 -0.312 0.000 2.280 122 R HA -0.040 4.300 4.340 -0.000 0.000 0.207 122 R C 0.554 176.540 176.300 -0.524 0.000 1.043 122 R CA 0.786 56.590 56.100 -0.494 0.000 1.006 122 R CB 0.063 29.897 30.300 -0.776 0.000 0.885 122 R HN 0.424 nan 8.270 nan 0.000 0.467 123 Y N -1.018 119.302 120.300 0.033 0.000 2.441 123 Y HA 0.138 4.688 4.550 -0.000 0.000 0.266 123 Y C 1.871 177.794 175.900 0.037 0.000 1.093 123 Y CA -0.752 57.376 58.100 0.046 0.000 1.246 123 Y CB -0.360 38.077 38.460 -0.038 0.000 1.262 123 Y HN -0.106 nan 8.280 nan 0.000 0.518 124 I N -1.042 119.606 120.570 0.130 0.000 2.399 124 I HA -0.262 3.908 4.170 -0.000 0.000 0.254 124 I C 0.469 176.650 176.117 0.106 0.000 1.146 124 I CA 2.108 63.464 61.300 0.093 0.000 1.412 124 I CB -0.377 37.652 38.000 0.048 0.000 1.076 124 I HN 0.158 nan 8.210 nan 0.000 0.432 125 N N 0.567 119.335 118.700 0.115 0.000 2.234 125 N HA 0.250 4.990 4.740 -0.000 0.000 0.227 125 N C 0.931 176.549 175.510 0.179 0.000 1.151 125 N CA 0.287 53.412 53.050 0.124 0.000 0.865 125 N CB 0.961 39.502 38.487 0.089 0.000 1.066 125 N HN 0.485 nan 8.380 nan 0.000 0.515 126 G N 0.453 109.395 108.800 0.236 0.000 4.250 126 G HA2 0.353 4.313 3.960 -0.000 0.000 0.295 126 G HA3 0.353 4.313 3.960 -0.000 0.000 0.295 126 G C -0.205 174.963 174.900 0.447 0.000 1.081 126 G CA -0.103 45.191 45.100 0.325 0.000 0.854 126 G HN 0.071 nan 8.290 nan 0.000 0.524 127 I N 0.217 121.010 120.570 0.371 0.000 2.493 127 I HA 0.296 4.466 4.170 -0.000 0.000 0.298 127 I C -0.481 175.834 176.117 0.330 0.000 0.998 127 I CA -1.022 60.505 61.300 0.378 0.000 1.137 127 I CB 1.797 39.927 38.000 0.217 0.000 1.310 127 I HN -0.050 nan 8.210 nan 0.000 0.445 128 N N 4.514 123.452 118.700 0.397 0.000 2.671 128 N HA -0.197 4.543 4.740 -0.000 0.000 0.261 128 N C -0.983 174.519 175.510 -0.013 0.000 1.053 128 N CA 0.818 53.976 53.050 0.181 0.000 0.732 128 N CB -0.735 37.796 38.487 0.073 0.000 0.887 128 N HN 0.633 nan 8.380 nan 0.000 0.546 129 Q N -0.977 118.750 119.800 -0.122 0.000 2.565 129 Q HA 0.532 4.872 4.340 -0.000 0.000 0.294 129 Q C -0.917 174.660 176.000 -0.704 0.000 1.005 129 Q CA -0.728 54.858 55.803 -0.361 0.000 0.771 129 Q CB 1.009 29.635 28.738 -0.187 0.000 1.486 129 Q HN 0.136 nan 8.270 nan 0.000 0.422 130 F N 1.516 121.289 119.950 -0.296 0.000 2.421 130 F HA 0.227 4.754 4.527 -0.000 0.000 0.358 130 F C 0.299 175.896 175.800 -0.337 0.000 1.115 130 F CA -0.151 57.663 58.000 -0.309 0.000 1.160 130 F CB 0.291 39.167 39.000 -0.207 0.000 1.123 130 F HN 0.562 nan 8.300 nan 0.000 0.508 131 Y N 1.521 121.915 120.300 0.156 0.000 2.475 131 Y HA 0.136 4.686 4.550 0.000 0.000 0.289 131 Y C 0.290 175.897 175.900 -0.488 0.000 1.121 131 Y CA 0.097 58.059 58.100 -0.231 0.000 1.257 131 Y CB -0.323 37.858 38.460 -0.464 0.000 1.026 131 Y HN 0.215 nan 8.280 nan 0.000 0.555 132 F N -1.107 118.995 119.950 0.253 0.000 2.593 132 F HA 0.469 4.996 4.527 -0.000 0.000 0.320 132 F C 0.428 176.275 175.800 0.078 0.000 1.060 132 F CA -1.961 56.130 58.000 0.151 0.000 0.940 132 F CB 1.100 40.176 39.000 0.128 0.000 1.268 132 F HN -0.347 nan 8.300 nan 0.000 0.475 133 S N 1.594 117.456 115.700 0.270 0.000 2.632 133 S HA 0.345 4.815 4.470 -0.000 0.000 0.267 133 S C 1.152 175.803 174.600 0.084 0.000 1.276 133 S CA -0.747 57.528 58.200 0.125 0.000 0.998 133 S CB 0.666 63.926 63.200 0.100 0.000 0.953 133 S HN 0.466 nan 8.310 nan 0.000 0.547 134 I N 1.230 121.811 120.570 0.018 0.000 2.194 134 I HA -0.207 3.963 4.170 -0.000 0.000 0.246 134 I C 2.838 178.953 176.117 -0.003 0.000 1.093 134 I CA 2.021 63.315 61.300 -0.012 0.000 1.355 134 I CB -2.355 35.624 38.000 -0.035 0.000 1.046 134 I HN 0.872 nan 8.210 nan 0.000 0.413 135 A N 0.603 123.428 122.820 0.008 0.000 1.902 135 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 135 A C 2.220 179.800 177.584 -0.006 0.000 1.181 135 A CA 1.504 53.542 52.037 0.001 0.000 0.623 135 A CB -0.595 18.411 19.000 0.010 0.000 0.818 135 A HN 0.523 nan 8.150 nan 0.000 0.443 136 E N -0.605 119.607 120.200 0.019 0.000 2.208 136 E HA -0.051 4.299 4.350 -0.000 0.000 0.193 136 E C 2.025 178.548 176.600 -0.128 0.000 0.988 136 E CA 0.496 56.883 56.400 -0.022 0.000 0.828 136 E CB -0.322 29.433 29.700 0.092 0.000 0.763 136 E HN 0.611 nan 8.360 nan 0.000 0.478 137 G N 1.542 110.302 108.800 -0.066 0.000 2.450 137 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.220 137 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.220 137 G C 1.531 176.361 174.900 -0.117 0.000 1.130 137 G CA 0.332 45.373 45.100 -0.099 0.000 0.760 137 G HN 0.126 nan 8.290 nan 0.000 0.557 138 R N -0.021 120.426 120.500 -0.088 0.000 2.189 138 R HA 0.027 4.367 4.340 -0.000 0.000 0.223 138 R C 0.611 176.854 176.300 -0.095 0.000 1.092 138 R CA 0.742 56.794 56.100 -0.081 0.000 0.989 138 R CB 0.032 30.298 30.300 -0.057 0.000 0.876 138 R HN 0.186 nan 8.270 nan 0.000 0.457 139 N N 0.493 119.120 118.700 -0.121 0.000 2.458 139 N HA 0.165 4.905 4.740 -0.000 0.000 0.274 139 N C -0.801 174.604 175.510 -0.175 0.000 1.242 139 N CA 0.100 53.076 53.050 -0.124 0.000 0.904 139 N CB 0.702 39.131 38.487 -0.097 0.000 1.206 139 N HN 0.072 nan 8.380 nan 0.000 0.510 140 L N -0.161 120.939 121.223 -0.205 0.000 2.322 140 L HA 0.523 4.863 4.340 -0.000 0.000 0.279 140 L C 0.627 177.407 176.870 -0.151 0.000 1.036 140 L CA -0.278 54.414 54.840 -0.245 0.000 0.807 140 L CB 1.918 43.779 42.059 -0.329 0.000 1.226 140 L HN -0.094 nan 8.230 nan 0.000 0.433 141 T N 2.498 116.974 114.554 -0.130 0.000 2.883 141 T HA 0.587 4.937 4.350 -0.000 0.000 0.301 141 T C -0.901 173.753 174.700 -0.076 0.000 1.158 141 T CA -0.573 61.474 62.100 -0.088 0.000 1.007 141 T CB 1.204 70.027 68.868 -0.075 0.000 1.186 141 T HN 0.344 nan 8.240 nan 0.000 0.499 142 L N 2.865 124.050 121.223 -0.064 0.000 2.326 142 L HA 0.638 4.978 4.340 -0.000 0.000 0.278 142 L C 1.367 178.201 176.870 -0.060 0.000 1.092 142 L CA -0.816 53.987 54.840 -0.061 0.000 0.810 142 L CB 0.928 42.938 42.059 -0.081 0.000 1.153 142 L HN 0.815 nan 8.230 nan 0.000 0.439 143 G N 2.343 111.109 108.800 -0.056 0.000 2.543 143 G HA2 0.531 4.491 3.960 -0.000 0.000 0.290 143 G HA3 0.531 4.491 3.960 -0.000 0.000 0.290 143 G C -2.636 172.237 174.900 -0.046 0.000 1.310 143 G CA -1.163 43.908 45.100 -0.048 0.000 1.025 143 G HN 0.356 nan 8.290 nan 0.000 0.502 144 P HA 0.198 nan 4.420 nan 0.000 0.272 144 P C -0.115 177.162 177.300 -0.039 0.000 1.230 144 P CA -0.349 62.733 63.100 -0.031 0.000 0.788 144 P CB 0.638 32.330 31.700 -0.013 0.000 0.949 145 L N 1.846 123.048 121.223 -0.034 0.000 2.416 145 L HA 0.182 4.522 4.340 -0.000 0.000 0.272 145 L C 0.394 177.224 176.870 -0.067 0.000 1.161 145 L CA -0.040 54.785 54.840 -0.025 0.000 0.845 145 L CB -0.248 41.824 42.059 0.021 0.000 1.119 145 L HN 0.193 nan 8.230 nan 0.000 0.464 146 L N 2.690 123.818 121.223 -0.158 0.000 2.334 146 L HA 0.363 4.703 4.340 -0.000 0.000 0.275 146 L C -0.125 176.575 176.870 -0.283 0.000 1.036 146 L CA -0.616 53.979 54.840 -0.409 0.000 0.807 146 L CB 1.659 43.153 42.059 -0.941 0.000 1.231 146 L HN 0.531 nan 8.230 nan 0.000 0.438 147 N N 3.631 122.225 118.700 -0.176 0.000 2.426 147 N HA 0.543 5.283 4.740 -0.000 0.000 0.257 147 N C -0.930 174.702 175.510 0.203 0.000 1.002 147 N CA -0.428 52.643 53.050 0.034 0.000 0.942 147 N CB 0.722 39.266 38.487 0.094 0.000 1.112 147 N HN 0.537 nan 8.380 nan 0.000 0.499 148 M N 1.329 121.030 119.600 0.167 0.000 2.619 148 M HA 0.700 5.180 4.480 -0.000 0.000 0.297 148 M C -2.695 173.709 176.300 0.174 0.000 1.229 148 M CA -2.018 53.448 55.300 0.276 0.000 0.860 148 M CB 1.723 34.554 32.600 0.385 0.000 1.741 148 M HN 0.142 nan 8.290 nan 0.000 0.462 149 P HA 0.145 nan 4.420 nan 0.000 0.266 149 P C -0.635 176.778 177.300 0.188 0.000 1.215 149 P CA 0.071 63.265 63.100 0.156 0.000 0.763 149 P CB 0.832 32.627 31.700 0.158 0.000 0.806 150 S N 2.513 118.225 115.700 0.019 0.000 2.549 150 S HA 0.116 4.586 4.470 -0.000 0.000 0.286 150 S C 0.684 175.247 174.600 -0.063 0.000 1.314 150 S CA -0.497 57.617 58.200 -0.142 0.000 1.062 150 S CB -0.248 62.781 63.200 -0.286 0.000 0.865 150 S HN 0.415 nan 8.310 nan 0.000 0.498 151 F N 3.571 123.416 119.950 -0.175 0.000 2.664 151 F HA 0.534 5.061 4.527 -0.000 0.000 0.303 151 F C -0.055 175.628 175.800 -0.194 0.000 1.092 151 F CA -0.737 57.204 58.000 -0.099 0.000 1.305 151 F CB -0.073 38.849 39.000 -0.131 0.000 1.054 151 F HN 0.267 nan 8.300 nan 0.000 0.565 152 I N 4.960 125.060 120.570 -0.783 0.000 2.330 152 I HA 0.294 4.464 4.170 -0.000 0.000 0.289 152 I C -2.077 173.820 176.117 -0.367 0.000 1.001 152 I CA -2.266 58.623 61.300 -0.685 0.000 1.193 152 I CB 1.205 38.654 38.000 -0.917 0.000 1.345 152 I HN -0.119 nan 8.210 nan 0.000 0.461 153 P HA 0.078 nan 4.420 nan 0.000 0.268 153 P C -0.288 176.907 177.300 -0.175 0.000 1.205 153 P CA -0.001 62.902 63.100 -0.328 0.000 0.771 153 P CB 0.892 32.187 31.700 -0.674 0.000 0.858 154 T N 1.316 115.779 114.554 -0.152 0.000 2.934 154 T HA 0.517 4.867 4.350 -0.000 0.000 0.283 154 T C 0.281 174.927 174.700 -0.091 0.000 1.005 154 T CA -0.192 61.842 62.100 -0.110 0.000 1.041 154 T CB 0.982 69.791 68.868 -0.099 0.000 1.042 154 T HN 0.530 nan 8.240 nan 0.000 0.505 155 A N 1.101 123.882 122.820 -0.066 0.000 2.313 155 A HA 0.512 4.832 4.320 -0.000 0.000 0.261 155 A C 1.188 178.748 177.584 -0.040 0.000 1.090 155 A CA -0.263 51.747 52.037 -0.045 0.000 0.807 155 A CB 0.068 19.052 19.000 -0.026 0.000 1.055 155 A HN 0.920 nan 8.150 nan 0.000 0.492 156 T N -2.338 112.199 114.554 -0.029 0.000 3.182 156 T HA 0.401 4.751 4.350 -0.000 0.000 0.277 156 T C 0.191 174.883 174.700 -0.013 0.000 1.013 156 T CA 0.447 62.533 62.100 -0.023 0.000 0.900 156 T CB -0.846 68.008 68.868 -0.024 0.000 1.098 156 T HN 1.170 nan 8.240 nan 0.000 0.543 157 T N -1.906 112.642 114.554 -0.009 0.000 2.896 157 T HA 0.569 4.919 4.350 -0.000 0.000 0.297 157 T C -2.678 172.018 174.700 -0.007 0.000 1.108 157 T CA -1.706 60.392 62.100 -0.004 0.000 1.004 157 T CB 2.063 70.933 68.868 0.004 0.000 1.159 157 T HN -0.347 nan 8.240 nan 0.000 0.499 158 P HA -0.065 nan 4.420 nan 0.000 0.218 158 P C 1.374 178.669 177.300 -0.008 0.000 1.149 158 P CA 0.832 63.924 63.100 -0.012 0.000 0.817 158 P CB 0.191 31.884 31.700 -0.012 0.000 0.785 159 E N -0.166 120.035 120.200 0.002 0.000 2.474 159 E HA 0.064 4.414 4.350 -0.000 0.000 0.194 159 E C 0.952 177.566 176.600 0.023 0.000 1.041 159 E CA 0.086 56.493 56.400 0.011 0.000 0.874 159 E CB -0.827 28.881 29.700 0.014 0.000 0.914 159 E HN -0.019 nan 8.360 nan 0.000 0.498 160 G N 1.339 110.151 108.800 0.019 0.000 2.414 160 G HA2 0.127 4.087 3.960 -0.000 0.000 0.236 160 G HA3 0.127 4.087 3.960 -0.000 0.000 0.236 160 G C -0.653 174.269 174.900 0.037 0.000 1.293 160 G CA 0.001 45.117 45.100 0.026 0.000 0.869 160 G HN 0.298 nan 8.290 nan 0.000 0.556 161 c N 3.222 121.846 118.600 0.041 0.000 2.322 161 c HA 0.787 5.357 4.570 -0.000 0.000 0.324 161 c C 0.452 174.530 174.090 -0.021 0.000 1.249 161 c CA -0.406 55.954 56.329 0.051 0.000 1.453 161 c CB 0.005 42.555 42.510 0.067 0.000 2.145 161 c HN 0.950 nan 8.230 nan 0.000 0.466 162 T N 4.478 118.981 114.554 -0.084 0.000 2.770 162 T HA 0.739 5.089 4.350 -0.000 0.000 0.283 162 T C -0.475 174.022 174.700 -0.339 0.000 0.988 162 T CA -0.589 61.325 62.100 -0.309 0.000 0.957 162 T CB 0.897 69.457 68.868 -0.513 0.000 0.930 162 T HN 0.878 nan 8.240 nan 0.000 0.443 163 R N 1.934 122.233 120.500 -0.336 0.000 2.766 163 R HA 0.510 4.850 4.340 -0.000 0.000 0.270 163 R C -0.761 175.404 176.300 -0.224 0.000 1.035 163 R CA -1.252 54.638 56.100 -0.350 0.000 0.911 163 R CB 1.141 31.178 30.300 -0.438 0.000 1.243 163 R HN 0.567 nan 8.270 nan 0.000 0.460 164 I N 0.346 120.765 120.570 -0.253 0.000 7.179 164 I HA -0.147 4.023 4.170 -0.000 0.000 0.126 164 I C -2.274 173.812 176.117 -0.052 0.000 1.827 164 I CA -0.034 61.202 61.300 -0.107 0.000 2.067 164 I CB -2.184 35.787 38.000 -0.047 0.000 3.592 164 I HN 0.497 nan 8.210 nan 0.000 0.178 165 P HA 0.382 nan 4.420 nan 0.000 0.276 165 P C -0.183 176.892 177.300 -0.376 0.000 1.244 165 P CA -0.207 62.786 63.100 -0.178 0.000 0.801 165 P CB 2.187 33.871 31.700 -0.026 0.000 1.006 166 S N 0.980 116.490 115.700 -0.316 0.000 2.572 166 S HA 0.631 5.101 4.470 -0.000 0.000 0.274 166 S C -1.895 172.758 174.600 0.088 0.000 1.150 166 S CA -0.498 57.635 58.200 -0.113 0.000 0.944 166 S CB 0.158 63.356 63.200 -0.003 0.000 1.071 166 S HN 0.339 nan 8.310 nan 0.000 0.479 167 F N 3.704 123.710 119.950 0.094 0.000 2.539 167 F HA 0.710 5.237 4.527 -0.000 0.000 0.318 167 F C -0.518 175.414 175.800 0.220 0.000 1.135 167 F CA -0.277 57.865 58.000 0.237 0.000 0.915 167 F CB 2.023 41.201 39.000 0.298 0.000 1.176 167 F HN 0.468 nan 8.300 nan 0.000 0.440 168 S N 6.797 122.224 115.700 -0.456 0.000 2.561 168 S HA 0.780 5.250 4.470 -0.000 0.000 0.303 168 S C -2.051 172.213 174.600 -0.561 0.000 1.110 168 S CA -0.518 57.480 58.200 -0.336 0.000 1.034 168 S CB 1.093 64.221 63.200 -0.120 0.000 1.010 168 S HN 0.710 nan 8.310 nan 0.000 0.482 169 L N 4.573 125.584 121.223 -0.353 0.000 2.385 169 L HA 0.791 5.131 4.340 -0.000 0.000 0.273 169 L C -0.145 176.664 176.870 -0.102 0.000 0.990 169 L CA 0.316 55.015 54.840 -0.234 0.000 0.821 169 L CB 2.045 44.052 42.059 -0.085 0.000 1.279 169 L HN 0.750 nan 8.230 nan 0.000 0.412 170 T N 2.113 116.576 114.554 -0.152 0.000 2.831 170 T HA 0.268 4.618 4.350 -0.000 0.000 0.287 170 T C 0.764 175.430 174.700 -0.056 0.000 1.070 170 T CA -0.378 61.669 62.100 -0.087 0.000 1.010 170 T CB 1.832 70.615 68.868 -0.141 0.000 1.264 170 T HN 0.701 nan 8.240 nan 0.000 0.532 171 K N 0.054 120.457 120.400 0.004 0.000 2.059 171 K HA -0.188 4.132 4.320 -0.000 0.000 0.212 171 K C 1.956 178.561 176.600 0.008 0.000 1.050 171 K CA 2.712 59.017 56.287 0.030 0.000 0.927 171 K CB -0.468 32.063 32.500 0.052 0.000 0.714 171 K HN 0.716 nan 8.250 nan 0.000 0.447 172 T N -1.696 112.861 114.554 0.005 0.000 2.894 172 T HA -0.040 4.310 4.350 -0.000 0.000 0.258 172 T C 0.921 175.648 174.700 0.046 0.000 1.043 172 T CA 0.696 62.820 62.100 0.039 0.000 1.141 172 T CB -0.260 68.676 68.868 0.113 0.000 0.873 172 T HN 0.518 nan 8.240 nan 0.000 0.449 173 H N -1.251 117.719 119.070 -0.167 0.000 2.883 173 H HA 0.429 4.985 4.556 -0.000 0.000 0.277 173 H C -1.555 173.677 175.328 -0.160 0.000 1.451 173 H CA -1.578 54.317 56.048 -0.255 0.000 1.157 173 H CB -0.170 29.354 29.762 -0.396 0.000 1.851 173 H HN 0.528 nan 8.280 nan 0.000 0.566 174 W N 0.090 121.248 121.300 -0.238 0.000 2.781 174 W HA 0.688 5.348 4.660 -0.000 0.000 0.345 174 W C -1.675 174.745 176.519 -0.165 0.000 1.085 174 W CA -1.154 55.985 57.345 -0.343 0.000 1.198 174 W CB 1.203 30.505 29.460 -0.262 0.000 1.423 174 W HN 0.503 nan 8.180 nan 0.000 0.532 175 c N 2.515 121.200 118.600 0.142 0.000 2.498 175 c HA 0.671 5.241 4.570 -0.000 0.000 0.316 175 c C -0.986 173.373 174.090 0.449 0.000 1.209 175 c CA -0.328 56.143 56.329 0.237 0.000 1.518 175 c CB 0.859 43.406 42.510 0.062 0.000 2.147 175 c HN 0.637 nan 8.230 nan 0.000 0.483 176 Y N 1.021 121.620 120.300 0.498 0.000 2.524 176 Y HA 0.763 5.313 4.550 -0.000 0.000 0.347 176 Y C -0.211 175.888 175.900 0.331 0.000 1.005 176 Y CA -0.088 58.341 58.100 0.548 0.000 1.025 176 Y CB 2.102 41.064 38.460 0.837 0.000 1.275 176 Y HN 0.695 nan 8.280 nan 0.000 0.460 177 T N 4.951 119.000 114.554 -0.842 0.000 2.885 177 T HA 0.501 4.851 4.350 -0.000 0.000 0.322 177 T C -2.088 172.269 174.700 -0.571 0.000 1.387 177 T CA -0.486 61.310 62.100 -0.506 0.000 1.041 177 T CB 0.801 69.561 68.868 -0.179 0.000 1.287 177 T HN 0.995 nan 8.240 nan 0.000 0.491 178 H N 1.748 120.734 119.070 -0.140 0.000 3.014 178 H HA 0.498 5.054 4.556 -0.000 0.000 0.337 178 H C -1.364 173.993 175.328 0.048 0.000 1.320 178 H CA -1.046 54.963 56.048 -0.066 0.000 1.128 178 H CB 1.282 31.049 29.762 0.009 0.000 1.862 178 H HN 0.524 nan 8.280 nan 0.000 0.536 179 N N 1.362 120.195 118.700 0.222 0.000 2.498 179 N HA 0.259 4.999 4.740 -0.000 0.000 0.287 179 N C -1.154 174.440 175.510 0.140 0.000 1.097 179 N CA -0.291 52.845 53.050 0.143 0.000 0.973 179 N CB 1.837 40.334 38.487 0.016 0.000 1.153 179 N HN 0.352 nan 8.380 nan 0.000 0.472 180 V N 4.956 124.978 119.914 0.180 0.000 2.487 180 V HA 0.503 4.623 4.120 -0.000 0.000 0.298 180 V C -0.006 176.145 176.094 0.096 0.000 1.028 180 V CA -0.652 61.746 62.300 0.163 0.000 0.860 180 V CB 1.431 33.458 31.823 0.339 0.000 0.991 180 V HN 0.527 nan 8.190 nan 0.000 0.427 181 I N 4.833 125.436 120.570 0.056 0.000 2.465 181 I HA 0.349 4.519 4.170 -0.000 0.000 0.291 181 I C 0.923 177.069 176.117 0.048 0.000 1.014 181 I CA -0.557 60.766 61.300 0.038 0.000 1.093 181 I CB 2.284 40.295 38.000 0.019 0.000 1.267 181 I HN 0.512 nan 8.210 nan 0.000 0.431 182 L N 4.108 125.359 121.223 0.046 0.000 2.046 182 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 182 L C 0.137 177.027 176.870 0.034 0.000 1.077 182 L CA 1.530 56.398 54.840 0.046 0.000 0.747 182 L CB -0.444 41.641 42.059 0.043 0.000 0.896 182 L HN 0.657 nan 8.230 nan 0.000 0.432 183 N N -0.265 118.451 118.700 0.027 0.000 2.524 183 N HA 0.511 5.251 4.740 -0.000 0.000 0.261 183 N C -0.037 175.492 175.510 0.032 0.000 0.998 183 N CA 0.339 53.405 53.050 0.026 0.000 0.915 183 N CB 1.664 40.163 38.487 0.020 0.000 1.187 183 N HN 0.264 nan 8.380 nan 0.000 0.507 184 G N 0.368 109.193 108.800 0.041 0.000 2.796 184 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.226 184 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.226 184 G C 0.049 174.988 174.900 0.065 0.000 1.381 184 G CA -0.496 44.638 45.100 0.056 0.000 0.867 184 G HN 0.643 nan 8.290 nan 0.000 0.552 185 c N 0.368 119.019 118.600 0.085 0.000 2.492 185 c HA 0.575 5.145 4.570 -0.000 0.000 0.317 185 c C 0.595 174.723 174.090 0.063 0.000 1.347 185 c CA 0.052 56.424 56.329 0.072 0.000 1.759 185 c CB -0.999 41.571 42.510 0.101 0.000 2.127 185 c HN 0.637 nan 8.230 nan 0.000 0.579 186 Q N 1.483 121.323 119.800 0.065 0.000 2.290 186 Q HA 0.561 4.901 4.340 -0.000 0.000 0.269 186 Q C -1.221 174.813 176.000 0.057 0.000 1.016 186 Q CA 0.376 56.227 55.803 0.081 0.000 0.754 186 Q CB 0.938 29.739 28.738 0.105 0.000 1.247 186 Q HN 0.428 nan 8.270 nan 0.000 0.451 187 D N 0.606 121.039 120.400 0.054 0.000 2.648 187 D HA 0.216 4.856 4.640 -0.000 0.000 0.244 187 D C -0.761 175.560 176.300 0.034 0.000 1.244 187 D CA -0.140 53.842 54.000 -0.031 0.000 0.772 187 D CB 1.037 41.803 40.800 -0.057 0.000 1.379 187 D HN 0.852 nan 8.370 nan 0.000 0.428 188 H N 0.106 119.189 119.070 0.021 0.000 3.297 188 H HA 0.286 4.842 4.556 0.000 0.000 0.254 188 H C -0.172 175.156 175.328 -0.000 0.000 1.192 188 H CA -0.105 55.954 56.048 0.019 0.000 1.058 188 H CB 0.142 29.936 29.762 0.053 0.000 1.777 188 H HN 0.072 nan 8.280 nan 0.000 0.696 189 V N 0.361 120.173 119.914 -0.169 0.000 3.240 189 V HA 0.137 4.257 4.120 -0.000 0.000 0.218 189 V C 0.892 176.933 176.094 -0.088 0.000 1.190 189 V CA 0.737 62.959 62.300 -0.130 0.000 1.280 189 V CB 0.675 32.371 31.823 -0.211 0.000 1.244 189 V HN 0.250 nan 8.190 nan 0.000 0.512 190 S N 0.053 115.695 115.700 -0.096 0.000 2.537 190 S HA 0.724 5.194 4.470 -0.000 0.000 0.301 190 S C -0.612 173.950 174.600 -0.063 0.000 1.092 190 S CA 0.357 58.513 58.200 -0.072 0.000 1.048 190 S CB 1.279 64.444 63.200 -0.058 0.000 1.053 190 S HN 1.001 nan 8.310 nan 0.000 0.501 191 S N 3.369 119.030 115.700 -0.066 0.000 2.712 191 S HA 0.384 4.854 4.470 -0.000 0.000 0.279 191 S C -2.152 172.393 174.600 -0.090 0.000 1.025 191 S CA -1.061 57.107 58.200 -0.053 0.000 0.861 191 S CB 0.345 63.514 63.200 -0.052 0.000 1.091 191 S HN 0.658 nan 8.310 nan 0.000 0.457 192 N N 0.700 119.352 118.700 -0.080 0.000 2.381 192 N HA 0.638 5.378 4.740 -0.000 0.000 0.294 192 N C -1.389 174.086 175.510 -0.058 0.000 1.216 192 N CA -0.518 52.403 53.050 -0.215 0.000 0.803 192 N CB 1.789 39.943 38.487 -0.555 0.000 1.372 192 N HN 0.770 nan 8.380 nan 0.000 0.500 193 Q N 0.700 120.450 119.800 -0.084 0.000 2.310 193 Q HA 0.414 4.754 4.340 -0.000 0.000 0.270 193 Q C -1.786 174.336 176.000 0.203 0.000 1.025 193 Q CA -0.546 55.302 55.803 0.076 0.000 0.772 193 Q CB 0.973 29.701 28.738 -0.018 0.000 1.253 193 Q HN 0.505 nan 8.270 nan 0.000 0.450 194 F N 4.576 124.642 119.950 0.193 0.000 2.410 194 F HA 0.660 5.187 4.527 -0.000 0.000 0.348 194 F C -1.138 174.675 175.800 0.021 0.000 1.106 194 F CA -0.397 57.706 58.000 0.172 0.000 1.163 194 F CB 0.713 39.708 39.000 -0.008 0.000 1.129 194 F HN 0.361 nan 8.300 nan 0.000 0.516 195 V N 4.978 124.510 119.914 -0.636 0.000 2.680 195 V HA 0.622 4.742 4.120 -0.000 0.000 0.309 195 V C -0.656 175.068 176.094 -0.616 0.000 1.052 195 V CA -0.654 61.396 62.300 -0.417 0.000 0.908 195 V CB 1.785 33.484 31.823 -0.206 0.000 1.001 195 V HN 0.829 nan 8.190 nan 0.000 0.431 196 S N 4.679 120.310 115.700 -0.114 0.000 2.546 196 S HA 0.911 5.381 4.470 -0.000 0.000 0.274 196 S C -1.010 173.694 174.600 0.175 0.000 1.121 196 S CA -0.678 57.584 58.200 0.104 0.000 0.887 196 S CB 1.626 65.191 63.200 0.607 0.000 1.094 196 S HN 0.884 nan 8.310 nan 0.000 0.474 197 M N 2.470 121.994 119.600 -0.126 0.000 2.470 197 M HA 0.904 5.384 4.480 -0.000 0.000 0.285 197 M C -0.332 175.358 176.300 -1.016 0.000 1.213 197 M CA -0.583 54.386 55.300 -0.552 0.000 0.901 197 M CB 1.473 33.939 32.600 -0.224 0.000 1.718 197 M HN 0.855 nan 8.290 nan 0.000 0.469 198 G N 1.812 109.532 108.800 -1.800 0.000 2.500 198 G HA2 0.651 4.611 3.960 -0.000 0.000 0.299 198 G HA3 0.651 4.611 3.960 -0.000 0.000 0.299 198 G C -1.784 172.367 174.900 -1.248 0.000 1.242 198 G CA -0.479 43.830 45.100 -1.319 0.000 0.859 198 G HN 1.270 nan 8.290 nan 0.000 0.481 199 I N -2.377 117.858 120.570 -0.557 0.000 3.322 199 I HA 0.824 4.994 4.170 -0.000 0.000 0.313 199 I C -1.153 174.893 176.117 -0.119 0.000 1.129 199 I CA -1.620 59.522 61.300 -0.263 0.000 0.963 199 I CB 2.301 40.173 38.000 -0.213 0.000 1.273 199 I HN 0.422 nan 8.210 nan 0.000 0.473 200 I N 1.559 121.972 120.570 -0.262 0.000 2.404 200 I HA 0.458 4.628 4.170 -0.000 0.000 0.293 200 I C -0.741 175.310 176.117 -0.110 0.000 0.992 200 I CA -0.287 60.693 61.300 -0.532 0.000 1.149 200 I CB 1.862 39.203 38.000 -1.099 0.000 1.315 200 I HN 0.741 nan 8.210 nan 0.000 0.446 201 E N 7.088 127.282 120.200 -0.010 0.000 2.356 201 E HA 0.555 4.905 4.350 -0.000 0.000 0.275 201 E C -2.974 173.803 176.600 0.296 0.000 0.904 201 E CA -2.197 54.341 56.400 0.230 0.000 0.757 201 E CB 2.523 32.309 29.700 0.144 0.000 1.232 201 E HN 0.162 nan 8.360 nan 0.000 0.442 202 P HA 0.033 nan 4.420 nan 0.000 0.275 202 P C -0.222 177.126 177.300 0.080 0.000 1.228 202 P CA -0.065 63.136 63.100 0.168 0.000 0.786 202 P CB 1.168 32.906 31.700 0.062 0.000 0.927 203 T N -2.267 112.275 114.554 -0.020 0.000 2.936 203 T HA 0.225 4.575 4.350 -0.000 0.000 0.282 203 T C 1.533 176.136 174.700 -0.161 0.000 1.003 203 T CA -0.167 61.856 62.100 -0.129 0.000 1.005 203 T CB 0.365 69.048 68.868 -0.308 0.000 1.097 203 T HN 0.384 nan 8.240 nan 0.000 0.532 204 S N 0.111 115.719 115.700 -0.153 0.000 2.469 204 S HA -0.041 4.429 4.470 -0.000 0.000 0.238 204 S C 2.012 176.530 174.600 -0.136 0.000 0.998 204 S CA 0.505 58.638 58.200 -0.113 0.000 0.957 204 S CB -0.951 62.198 63.200 -0.085 0.000 0.764 204 S HN 1.033 nan 8.310 nan 0.000 0.514 205 A N 0.442 123.102 122.820 -0.267 0.000 2.251 205 A HA 0.576 4.896 4.320 -0.000 0.000 0.209 205 A C 1.865 179.352 177.584 -0.162 0.000 1.187 205 A CA 0.687 52.575 52.037 -0.249 0.000 0.823 205 A CB -0.976 17.760 19.000 -0.440 0.000 0.846 205 A HN 1.457 nan 8.150 nan 0.000 0.486 206 G N -0.967 107.736 108.800 -0.161 0.000 2.284 206 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.230 206 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.230 206 G C 0.192 175.151 174.900 0.098 0.000 1.021 206 G CA 0.193 45.303 45.100 0.018 0.000 0.619 206 G HN 1.112 nan 8.290 nan 0.000 0.510 207 F N 0.960 120.962 119.950 0.086 0.000 2.380 207 F HA 0.822 5.349 4.527 -0.000 0.000 0.321 207 F C -2.096 173.669 175.800 -0.059 0.000 1.103 207 F CA -3.450 54.496 58.000 -0.090 0.000 1.067 207 F CB -0.245 38.735 39.000 -0.033 0.000 1.265 207 F HN -0.043 nan 8.300 nan 0.000 0.517 208 P HA 0.075 nan 4.420 nan 0.000 0.268 208 P C -1.199 176.309 177.300 0.346 0.000 1.208 208 P CA 0.191 63.368 63.100 0.129 0.000 0.777 208 P CB 0.281 31.968 31.700 -0.021 0.000 0.875 209 F N 3.019 123.006 119.950 0.061 0.000 2.562 209 F HA 0.495 5.022 4.527 0.000 0.000 0.319 209 F C -1.744 174.083 175.800 0.046 0.000 1.154 209 F CA -1.799 56.291 58.000 0.149 0.000 0.931 209 F CB 0.577 39.640 39.000 0.105 0.000 1.198 209 F HN 0.047 nan 8.300 nan 0.000 0.444 210 F N 6.009 125.691 119.950 -0.446 0.000 2.405 210 F HA 0.395 4.922 4.527 -0.000 0.000 0.358 210 F C 0.809 176.140 175.800 -0.783 0.000 1.151 210 F CA -0.263 57.373 58.000 -0.606 0.000 1.161 210 F CB 0.445 38.859 39.000 -0.975 0.000 1.245 210 F HN 0.420 nan 8.300 nan 0.000 0.545 211 R N 2.465 122.543 120.500 -0.704 0.000 2.210 211 R HA 0.228 4.568 4.340 -0.000 0.000 0.338 211 R C -0.390 175.924 176.300 0.023 0.000 1.062 211 R CA -0.177 55.591 56.100 -0.553 0.000 0.902 211 R CB 0.398 30.456 30.300 -0.403 0.000 1.050 211 R HN 0.507 nan 8.270 nan 0.000 0.461 212 T N 6.147 120.821 114.554 0.200 0.000 2.814 212 T HA 0.140 4.490 4.350 -0.000 0.000 0.297 212 T C 1.213 175.954 174.700 0.068 0.000 0.956 212 T CA -0.094 62.127 62.100 0.203 0.000 1.123 212 T CB 0.694 69.776 68.868 0.356 0.000 0.902 212 T HN 0.563 nan 8.240 nan 0.000 0.528 213 L N 2.401 123.600 121.223 -0.038 0.000 2.664 213 L HA 0.419 4.759 4.340 -0.000 0.000 0.233 213 L C 0.824 177.719 176.870 0.041 0.000 1.113 213 L CA 0.173 55.037 54.840 0.040 0.000 0.896 213 L CB 0.251 42.371 42.059 0.102 0.000 1.163 213 L HN 0.494 nan 8.230 nan 0.000 0.497 214 K N -0.401 119.999 120.400 -0.000 0.000 2.572 214 K HA 0.385 4.705 4.320 -0.000 0.000 0.263 214 K C -1.467 175.117 176.600 -0.027 0.000 0.932 214 K CA -0.303 55.965 56.287 -0.032 0.000 0.838 214 K CB 2.620 35.077 32.500 -0.073 0.000 1.366 214 K HN -0.309 nan 8.250 nan 0.000 0.425 215 T N 2.817 117.349 114.554 -0.037 0.000 2.900 215 T HA 0.711 5.061 4.350 -0.000 0.000 0.295 215 T C -1.640 172.978 174.700 -0.136 0.000 1.044 215 T CA -0.555 61.487 62.100 -0.096 0.000 0.995 215 T CB 0.960 69.867 68.868 0.064 0.000 1.072 215 T HN 0.367 nan 8.240 nan 0.000 0.473 216 L N 2.539 123.602 121.223 -0.268 0.000 2.472 216 L HA 0.566 4.906 4.340 -0.000 0.000 0.260 216 L C -1.616 175.213 176.870 -0.068 0.000 0.963 216 L CA -0.840 53.921 54.840 -0.131 0.000 0.829 216 L CB 1.911 43.896 42.059 -0.125 0.000 1.348 216 L HN 0.609 nan 8.230 nan 0.000 0.408 217 Y N 3.132 123.383 120.300 -0.081 0.000 2.402 217 Y HA 0.546 5.096 4.550 -0.000 0.000 0.325 217 Y C -0.993 174.906 175.900 -0.002 0.000 1.009 217 Y CA -1.124 56.979 58.100 0.005 0.000 1.278 217 Y CB 1.122 39.645 38.460 0.105 0.000 1.105 217 Y HN 0.431 nan 8.280 nan 0.000 0.476 218 L N 5.284 126.428 121.223 -0.133 0.000 2.454 218 L HA 0.266 4.606 4.340 -0.000 0.000 0.284 218 L C 0.345 177.005 176.870 -0.350 0.000 1.139 218 L CA 0.009 54.738 54.840 -0.186 0.000 0.911 218 L CB 0.155 42.137 42.059 -0.128 0.000 1.262 218 L HN 0.549 nan 8.230 nan 0.000 0.453 219 S N 2.604 118.111 115.700 -0.322 0.000 2.664 219 S HA 0.382 4.852 4.470 -0.000 0.000 0.262 219 S C -0.213 174.294 174.600 -0.156 0.000 1.229 219 S CA -0.684 57.321 58.200 -0.326 0.000 1.151 219 S CB 0.389 63.342 63.200 -0.411 0.000 1.054 219 S HN 0.743 nan 8.310 nan 0.000 0.483 220 D N 2.208 122.533 120.400 -0.125 0.000 2.583 220 D HA 0.213 4.853 4.640 -0.000 0.000 0.282 220 D C 1.054 177.315 176.300 -0.065 0.000 1.485 220 D CA 0.451 54.404 54.000 -0.078 0.000 0.834 220 D CB -0.331 40.429 40.800 -0.067 0.000 1.258 220 D HN 0.859 nan 8.370 nan 0.000 0.470 221 G N -0.117 108.639 108.800 -0.074 0.000 2.234 221 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.235 221 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.235 221 G C 0.081 174.944 174.900 -0.062 0.000 0.997 221 G CA 0.049 45.114 45.100 -0.059 0.000 0.623 221 G HN 0.428 nan 8.290 nan 0.000 0.514 222 V N 1.843 121.714 119.914 -0.072 0.000 2.427 222 V HA 0.386 4.506 4.120 -0.000 0.000 0.268 222 V C 0.660 176.694 176.094 -0.100 0.000 1.046 222 V CA -0.209 62.047 62.300 -0.075 0.000 0.970 222 V CB 1.311 33.092 31.823 -0.071 0.000 1.001 222 V HN 0.366 nan 8.190 nan 0.000 0.476 223 N N 5.186 123.823 118.700 -0.104 0.000 2.895 223 N HA 0.102 4.842 4.740 -0.000 0.000 0.277 223 N C 0.219 175.600 175.510 -0.216 0.000 1.185 223 N CA 0.005 52.974 53.050 -0.135 0.000 1.106 223 N CB -0.180 38.242 38.487 -0.108 0.000 1.422 223 N HN 0.525 nan 8.380 nan 0.000 0.521 224 R N 2.187 122.564 120.500 -0.204 0.000 2.316 224 R HA 0.210 4.550 4.340 -0.000 0.000 0.314 224 R C 0.023 176.143 176.300 -0.300 0.000 1.069 224 R CA -0.008 55.939 56.100 -0.255 0.000 0.959 224 R CB 0.589 30.787 30.300 -0.170 0.000 0.987 224 R HN 0.221 nan 8.270 nan 0.000 0.446 225 K N 0.379 120.477 120.400 -0.503 0.000 2.395 225 K HA 0.204 4.524 4.320 -0.000 0.000 0.245 225 K C 0.182 176.632 176.600 -0.251 0.000 1.017 225 K CA -0.908 55.128 56.287 -0.418 0.000 0.852 225 K CB 1.845 34.004 32.500 -0.569 0.000 1.311 225 K HN 0.479 nan 8.250 nan 0.000 0.452 226 S N 0.094 115.787 115.700 -0.012 0.000 3.462 226 S HA -0.189 4.281 4.470 -0.000 0.000 0.370 226 S C 0.005 174.624 174.600 0.033 0.000 1.028 226 S CA 0.253 58.538 58.200 0.141 0.000 1.119 226 S CB -1.574 61.858 63.200 0.387 0.000 0.906 226 S HN 0.524 nan 8.310 nan 0.000 0.471 227 c N 2.139 120.711 118.600 -0.046 0.000 2.662 227 c HA 0.542 5.112 4.570 -0.000 0.000 0.420 227 c C 1.106 175.177 174.090 -0.031 0.000 1.314 227 c CA -0.466 55.804 56.329 -0.098 0.000 1.963 227 c CB 0.616 43.070 42.510 -0.094 0.000 2.686 227 c HN 0.661 nan 8.230 nan 0.000 0.609 228 S N 2.016 117.685 115.700 -0.052 0.000 2.482 228 S HA 0.695 5.165 4.470 -0.000 0.000 0.303 228 S C -0.559 174.132 174.600 0.152 0.000 1.091 228 S CA -0.349 57.920 58.200 0.115 0.000 1.057 228 S CB 1.137 64.493 63.200 0.261 0.000 1.031 228 S HN 0.671 nan 8.310 nan 0.000 0.485 229 I N 1.908 122.620 120.570 0.237 0.000 2.693 229 I HA 0.704 4.874 4.170 -0.000 0.000 0.303 229 I C -0.555 175.754 176.117 0.319 0.000 1.025 229 I CA -0.148 61.305 61.300 0.256 0.000 1.086 229 I CB 1.975 40.040 38.000 0.109 0.000 1.268 229 I HN 0.628 nan 8.210 nan 0.000 0.440 230 S N 3.253 119.124 115.700 0.285 0.000 2.541 230 S HA 0.460 4.930 4.470 -0.000 0.000 0.271 230 S C -0.739 173.881 174.600 0.033 0.000 1.133 230 S CA -0.412 57.859 58.200 0.119 0.000 0.876 230 S CB 1.858 65.055 63.200 -0.004 0.000 1.105 230 S HN 0.652 nan 8.310 nan 0.000 0.470 231 T N 2.909 117.432 114.554 -0.052 0.000 2.907 231 T HA 0.553 4.903 4.350 -0.000 0.000 0.298 231 T C -0.167 174.471 174.700 -0.104 0.000 1.017 231 T CA 0.075 62.094 62.100 -0.135 0.000 1.118 231 T CB 0.363 69.055 68.868 -0.294 0.000 0.948 231 T HN 1.054 nan 8.240 nan 0.000 0.531 232 V N 2.393 122.241 119.914 -0.110 0.000 3.114 232 V HA 0.695 4.815 4.120 -0.000 0.000 0.308 232 V C -3.044 172.938 176.094 -0.187 0.000 1.168 232 V CA -3.188 58.934 62.300 -0.298 0.000 1.015 232 V CB 1.613 33.280 31.823 -0.261 0.000 1.050 232 V HN 0.500 nan 8.190 nan 0.000 0.433 233 P HA 0.321 nan 4.420 nan 0.000 0.261 233 P C 0.933 178.224 177.300 -0.015 0.000 1.203 233 P CA 2.057 65.081 63.100 -0.126 0.000 0.767 233 P CB 0.492 32.096 31.700 -0.161 0.000 0.785 234 G N 2.174 110.962 108.800 -0.020 0.000 2.179 234 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.260 234 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.260 234 G C 0.435 175.349 174.900 0.024 0.000 0.977 234 G CA -0.080 45.017 45.100 -0.004 0.000 0.641 234 G HN 0.963 nan 8.290 nan 0.000 0.533 235 G N -2.145 106.628 108.800 -0.045 0.000 2.441 235 G HA2 0.522 4.482 3.960 -0.000 0.000 0.225 235 G HA3 0.522 4.482 3.960 -0.000 0.000 0.225 235 G C -1.008 173.917 174.900 0.042 0.000 1.200 235 G CA 0.442 45.508 45.100 -0.056 0.000 0.947 235 G HN 1.236 nan 8.290 nan 0.000 0.484 236 c N -0.054 118.501 118.600 -0.074 0.000 2.712 236 c HA 0.855 5.425 4.570 -0.000 0.000 0.308 236 c C -0.015 174.032 174.090 -0.072 0.000 1.201 236 c CA -0.462 55.849 56.329 -0.028 0.000 1.554 236 c CB 1.070 43.581 42.510 0.002 0.000 2.117 236 c HN 0.851 nan 8.230 nan 0.000 0.480 237 M N 3.764 123.383 119.600 0.032 0.000 2.243 237 M HA 0.665 5.145 4.480 -0.000 0.000 0.324 237 M C -1.149 175.292 176.300 0.236 0.000 1.031 237 M CA -0.316 55.048 55.300 0.107 0.000 0.949 237 M CB 1.292 34.008 32.600 0.193 0.000 1.615 237 M HN 0.928 nan 8.290 nan 0.000 0.430 238 M N 4.796 124.458 119.600 0.103 0.000 2.393 238 M HA 0.435 4.915 4.480 -0.000 0.000 0.316 238 M C -2.237 174.007 176.300 -0.094 0.000 1.087 238 M CA -0.684 54.630 55.300 0.023 0.000 0.937 238 M CB 1.854 34.446 32.600 -0.014 0.000 1.668 238 M HN 0.738 nan 8.290 nan 0.000 0.438 239 Y N 4.953 124.947 120.300 -0.510 0.000 2.328 239 Y HA 0.673 5.223 4.550 -0.000 0.000 0.336 239 Y C -1.626 174.104 175.900 -0.282 0.000 0.960 239 Y CA -1.284 56.483 58.100 -0.554 0.000 1.134 239 Y CB 0.885 38.633 38.460 -1.187 0.000 1.166 239 Y HN 0.869 nan 8.280 nan 0.000 0.464 240 c N 5.903 124.362 118.600 -0.234 0.000 3.108 240 c HA 0.770 5.340 4.570 -0.000 0.000 0.321 240 c C -0.717 173.276 174.090 -0.161 0.000 1.357 240 c CA -1.000 55.157 56.329 -0.287 0.000 1.562 240 c CB 1.292 43.690 42.510 -0.187 0.000 2.003 240 c HN 0.818 nan 8.230 nan 0.000 0.460 241 F N -0.893 118.916 119.950 -0.236 0.000 2.577 241 F HA 0.852 5.379 4.527 0.000 0.000 0.318 241 F C -1.027 174.718 175.800 -0.091 0.000 1.065 241 F CA -1.107 56.806 58.000 -0.145 0.000 0.929 241 F CB 0.735 39.629 39.000 -0.175 0.000 1.237 241 F HN 0.263 nan 8.300 nan 0.000 0.468 242 V N 2.751 122.624 119.914 -0.067 0.000 2.348 242 V HA 0.326 4.446 4.120 -0.000 0.000 0.270 242 V C 0.124 176.144 176.094 -0.123 0.000 1.037 242 V CA -0.450 61.738 62.300 -0.186 0.000 0.872 242 V CB 0.613 32.407 31.823 -0.048 0.000 1.002 242 V HN 0.900 nan 8.190 nan 0.000 0.464 243 S N 3.544 119.045 115.700 -0.332 0.000 2.513 243 S HA 0.400 4.870 4.470 -0.000 0.000 0.276 243 S C 0.937 175.568 174.600 0.052 0.000 1.254 243 S CA 0.181 58.350 58.200 -0.052 0.000 1.053 243 S CB 0.833 63.949 63.200 -0.141 0.000 0.958 243 S HN 1.017 nan 8.310 nan 0.000 0.491 244 T N 1.107 115.739 114.554 0.130 0.000 3.144 244 T HA 0.313 4.663 4.350 -0.000 0.000 0.290 244 T C -0.130 174.675 174.700 0.175 0.000 0.966 244 T CA -0.476 61.711 62.100 0.145 0.000 0.907 244 T CB -0.260 68.664 68.868 0.094 0.000 1.152 244 T HN 0.787 nan 8.240 nan 0.000 0.532 245 Q N -0.536 119.317 119.800 0.089 0.000 2.702 245 Q HA 0.534 4.874 4.340 -0.000 0.000 0.289 245 Q C -3.467 172.443 176.000 -0.151 0.000 0.923 245 Q CA -2.186 53.508 55.803 -0.182 0.000 0.787 245 Q CB 0.290 28.982 28.738 -0.077 0.000 1.476 245 Q HN -0.101 nan 8.270 nan 0.000 0.402 246 P HA -0.089 nan 4.420 nan 0.000 0.266 246 P C 0.211 177.565 177.300 0.091 0.000 1.193 246 P CA 0.342 63.423 63.100 -0.031 0.000 0.770 246 P CB 0.577 32.260 31.700 -0.027 0.000 0.836 247 E N 3.368 123.674 120.200 0.177 0.000 2.086 247 E HA -0.336 4.014 4.350 -0.000 0.000 0.200 247 E C 1.875 178.580 176.600 0.176 0.000 1.012 247 E CA 1.386 57.901 56.400 0.190 0.000 0.812 247 E CB -0.104 29.754 29.700 0.263 0.000 0.743 247 E HN 0.267 nan 8.360 nan 0.000 0.453 248 R N 0.127 120.785 120.500 0.264 0.000 2.105 248 R HA -0.178 4.162 4.340 -0.000 0.000 0.239 248 R C 1.633 178.136 176.300 0.339 0.000 1.135 248 R CA 1.994 58.297 56.100 0.338 0.000 0.967 248 R CB -0.124 30.399 30.300 0.372 0.000 0.861 248 R HN 0.258 nan 8.270 nan 0.000 0.442 249 D N 0.511 121.027 120.400 0.193 0.000 2.178 249 D HA -0.146 4.494 4.640 -0.000 0.000 0.201 249 D C 1.315 177.707 176.300 0.153 0.000 0.980 249 D CA 1.020 55.112 54.000 0.154 0.000 0.842 249 D CB -0.334 40.485 40.800 0.032 0.000 0.948 249 D HN 0.258 nan 8.370 nan 0.000 0.472 250 D N -0.418 120.027 120.400 0.076 0.000 2.178 250 D HA -0.141 4.499 4.640 -0.000 0.000 0.201 250 D C 1.778 177.985 176.300 -0.155 0.000 0.980 250 D CA 0.732 54.688 54.000 -0.073 0.000 0.842 250 D CB -0.166 40.505 40.800 -0.214 0.000 0.948 250 D HN 0.354 nan 8.370 nan 0.000 0.472 251 Y N -0.705 119.541 120.300 -0.091 0.000 2.337 251 Y HA -0.044 4.506 4.550 -0.000 0.000 0.293 251 Y C 2.078 177.890 175.900 -0.147 0.000 1.123 251 Y CA 0.507 58.520 58.100 -0.145 0.000 1.201 251 Y CB -0.357 37.961 38.460 -0.236 0.000 1.011 251 Y HN -0.075 nan 8.280 nan 0.000 0.545 252 F N -0.086 119.924 119.950 0.100 0.000 2.234 252 F HA -0.069 4.458 4.527 -0.000 0.000 0.296 252 F C 1.528 177.337 175.800 0.015 0.000 1.089 252 F CA 0.443 58.473 58.000 0.050 0.000 1.343 252 F CB -0.644 38.367 39.000 0.018 0.000 1.040 252 F HN -0.212 nan 8.300 nan 0.000 0.498 253 S N 0.764 116.563 115.700 0.165 0.000 2.533 253 S HA 0.358 4.828 4.470 -0.000 0.000 0.282 253 S C 1.082 175.701 174.600 0.032 0.000 1.304 253 S CA -0.266 57.982 58.200 0.080 0.000 1.063 253 S CB 1.486 64.715 63.200 0.049 0.000 0.881 253 S HN 0.269 nan 8.310 nan 0.000 0.493 254 A N 2.784 125.620 122.820 0.027 0.000 2.066 254 A HA 0.430 4.750 4.320 -0.000 0.000 0.218 254 A C 1.314 178.903 177.584 0.008 0.000 1.157 254 A CA 0.728 52.771 52.037 0.010 0.000 0.670 254 A CB -0.836 18.169 19.000 0.008 0.000 0.804 254 A HN 1.335 nan 8.150 nan 0.000 0.453 255 A N 1.122 123.947 122.820 0.009 0.000 2.331 255 A HA 0.587 4.907 4.320 -0.000 0.000 0.283 255 A C -2.362 175.216 177.584 -0.009 0.000 1.142 255 A CA -1.593 50.448 52.037 0.007 0.000 0.812 255 A CB 0.233 19.240 19.000 0.011 0.000 1.074 255 A HN 0.282 nan 8.150 nan 0.000 0.497 256 P HA 0.421 nan 4.420 nan 0.000 0.279 256 P C -2.754 174.528 177.300 -0.029 0.000 1.252 256 P CA -1.519 61.555 63.100 -0.042 0.000 0.811 256 P CB 0.174 31.859 31.700 -0.024 0.000 1.035 257 P HA 0.163 nan 4.420 nan 0.000 0.272 257 P C -0.075 177.267 177.300 0.071 0.000 1.240 257 P CA -0.160 62.972 63.100 0.053 0.000 0.791 257 P CB 0.315 32.100 31.700 0.142 0.000 0.978 258 E N 1.379 121.636 120.200 0.096 0.000 2.392 258 E HA -0.003 4.347 4.350 -0.000 0.000 0.264 258 E C -0.552 176.114 176.600 0.110 0.000 1.024 258 E CA -0.242 56.202 56.400 0.073 0.000 0.903 258 E CB 0.308 30.038 29.700 0.050 0.000 0.963 258 E HN 0.238 nan 8.360 nan 0.000 0.432 259 Q N 3.466 123.321 119.800 0.093 0.000 2.312 259 Q HA 0.467 4.807 4.340 -0.000 0.000 0.263 259 Q C -0.633 175.440 176.000 0.122 0.000 0.995 259 Q CA -0.430 55.467 55.803 0.156 0.000 0.853 259 Q CB 2.021 30.855 28.738 0.160 0.000 1.300 259 Q HN 0.514 nan 8.270 nan 0.000 0.448 260 R N 1.411 122.005 120.500 0.156 0.000 2.673 260 R HA 0.650 4.990 4.340 -0.000 0.000 0.281 260 R C -0.589 175.783 176.300 0.119 0.000 0.991 260 R CA -0.928 55.225 56.100 0.088 0.000 0.896 260 R CB 1.867 32.184 30.300 0.029 0.000 1.201 260 R HN 0.636 nan 8.270 nan 0.000 0.457 261 I N 0.140 120.737 120.570 0.045 0.000 2.466 261 I HA 0.503 4.673 4.170 -0.000 0.000 0.289 261 I C -1.317 174.802 176.117 0.002 0.000 1.026 261 I CA -0.591 60.723 61.300 0.023 0.000 1.078 261 I CB 1.427 39.421 38.000 -0.009 0.000 1.249 261 I HN 0.413 nan 8.210 nan 0.000 0.429 262 I N 7.733 128.297 120.570 -0.011 0.000 2.378 262 I HA 0.485 4.655 4.170 -0.000 0.000 0.291 262 I C -0.339 175.743 176.117 -0.058 0.000 0.992 262 I CA -0.328 60.951 61.300 -0.034 0.000 1.154 262 I CB 1.582 39.555 38.000 -0.045 0.000 1.315 262 I HN 0.490 nan 8.210 nan 0.000 0.448 263 I N 6.607 127.115 120.570 -0.103 0.000 2.354 263 I HA 0.457 4.627 4.170 -0.000 0.000 0.292 263 I C -0.570 175.359 176.117 -0.313 0.000 0.989 263 I CA -0.462 60.694 61.300 -0.241 0.000 1.188 263 I CB 1.157 38.969 38.000 -0.314 0.000 1.342 263 I HN 0.410 nan 8.210 nan 0.000 0.457 264 M N 6.611 126.007 119.600 -0.341 0.000 2.085 264 M HA 0.413 4.893 4.480 -0.000 0.000 0.309 264 M C -1.238 174.883 176.300 -0.298 0.000 0.947 264 M CA -0.502 54.653 55.300 -0.241 0.000 0.918 264 M CB 1.238 33.760 32.600 -0.130 0.000 1.504 264 M HN 0.304 nan 8.290 nan 0.000 0.420 265 Y N 0.483 120.763 120.300 -0.033 0.000 2.301 265 Y HA 0.074 4.624 4.550 -0.000 0.000 0.325 265 Y C 0.945 176.831 175.900 -0.024 0.000 1.203 265 Y CA -0.146 57.936 58.100 -0.030 0.000 1.255 265 Y CB 0.433 38.870 38.460 -0.037 0.000 1.232 265 Y HN 0.559 nan 8.280 nan 0.000 0.501 266 Y N 2.507 122.814 120.300 0.011 0.000 2.403 266 Y HA -0.232 4.318 4.550 -0.000 0.000 0.291 266 Y C 1.571 177.440 175.900 -0.052 0.000 1.143 266 Y CA 1.654 59.701 58.100 -0.089 0.000 1.257 266 Y CB -0.272 38.082 38.460 -0.176 0.000 0.984 266 Y HN 0.733 nan 8.280 nan 0.000 0.550 267 N N -0.803 117.885 118.700 -0.020 0.000 2.434 267 N HA -0.035 4.705 4.740 -0.000 0.000 0.196 267 N C 0.019 175.472 175.510 -0.094 0.000 1.183 267 N CA 1.059 54.047 53.050 -0.103 0.000 0.849 267 N CB -0.470 37.984 38.487 -0.055 0.000 0.992 267 N HN 0.278 nan 8.380 nan 0.000 0.460 268 D N -2.431 117.921 120.400 -0.080 0.000 3.028 268 D HA -0.157 4.483 4.640 -0.000 0.000 0.207 268 D C -0.994 175.306 176.300 -0.000 0.000 1.100 268 D CA 1.343 55.308 54.000 -0.059 0.000 0.995 268 D CB -1.609 39.135 40.800 -0.094 0.000 1.108 268 D HN 0.361 nan 8.370 nan 0.000 0.421 269 T N 0.421 115.013 114.554 0.064 0.000 2.884 269 T HA 0.558 4.908 4.350 -0.000 0.000 0.298 269 T C 0.598 175.379 174.700 0.136 0.000 0.998 269 T CA 0.033 62.190 62.100 0.096 0.000 1.124 269 T CB 0.895 69.834 68.868 0.119 0.000 0.931 269 T HN 0.085 nan 8.240 nan 0.000 0.531 270 I N 2.944 123.557 120.570 0.071 0.000 2.466 270 I HA 0.461 4.631 4.170 -0.000 0.000 0.289 270 I C -0.890 175.247 176.117 0.033 0.000 1.026 270 I CA -0.987 60.331 61.300 0.029 0.000 1.078 270 I CB 2.160 40.155 38.000 -0.009 0.000 1.249 270 I HN 0.250 nan 8.210 nan 0.000 0.429 271 V N 5.353 125.280 119.914 0.022 0.000 2.447 271 V HA 0.349 4.469 4.120 -0.000 0.000 0.292 271 V C -0.390 175.702 176.094 -0.004 0.000 1.021 271 V CA -0.569 61.745 62.300 0.025 0.000 0.850 271 V CB 1.803 33.666 31.823 0.067 0.000 1.005 271 V HN 0.756 nan 8.190 nan 0.000 0.426 272 E N 5.067 125.263 120.200 -0.007 0.000 2.183 272 E HA 0.680 5.030 4.350 -0.000 0.000 0.271 272 E C -0.966 175.630 176.600 -0.006 0.000 0.919 272 E CA -0.877 55.516 56.400 -0.013 0.000 0.781 272 E CB 1.308 30.995 29.700 -0.020 0.000 1.140 272 E HN 0.486 nan 8.360 nan 0.000 0.402 273 R N 3.770 124.268 120.500 -0.004 0.000 2.686 273 R HA 0.447 4.787 4.340 -0.000 0.000 0.283 273 R C -0.669 175.632 176.300 0.001 0.000 0.978 273 R CA -0.807 55.292 56.100 -0.002 0.000 0.897 273 R CB 1.354 31.652 30.300 -0.004 0.000 1.192 273 R HN 0.653 nan 8.270 nan 0.000 0.457 274 I N 4.867 125.438 120.570 0.001 0.000 2.352 274 I HA 0.284 4.454 4.170 -0.000 0.000 0.290 274 I C 0.901 177.019 176.117 0.001 0.000 1.036 274 I CA -0.385 60.919 61.300 0.006 0.000 1.336 274 I CB 0.622 38.626 38.000 0.006 0.000 1.407 274 I HN 0.448 nan 8.210 nan 0.000 0.497 275 I N 4.400 124.970 120.570 -0.000 0.000 2.607 275 I HA 0.511 4.681 4.170 -0.000 0.000 0.305 275 I C -0.470 175.636 176.117 -0.019 0.000 0.995 275 I CA -0.628 60.661 61.300 -0.018 0.000 1.148 275 I CB 1.642 39.614 38.000 -0.046 0.000 1.323 275 I HN 0.446 nan 8.210 nan 0.000 0.461 276 N N 5.093 123.779 118.700 -0.023 0.000 2.750 276 N HA 0.328 5.068 4.740 -0.000 0.000 0.253 276 N C -2.712 172.781 175.510 -0.029 0.000 1.408 276 N CA -0.813 52.223 53.050 -0.023 0.000 0.780 276 N CB 1.343 39.824 38.487 -0.010 0.000 1.191 276 N HN 0.541 nan 8.380 nan 0.000 0.511 277 P HA 0.248 nan 4.420 nan 0.000 0.271 277 P C -2.621 174.657 177.300 -0.037 0.000 1.218 277 P CA -0.831 62.238 63.100 -0.051 0.000 0.780 277 P CB 0.253 31.897 31.700 -0.093 0.000 0.901 278 P HA 0.095 nan 4.420 nan 0.000 0.270 278 P C 0.887 178.194 177.300 0.012 0.000 1.223 278 P CA 0.826 63.927 63.100 0.002 0.000 0.785 278 P CB -0.045 31.660 31.700 0.008 0.000 0.923 279 G N -0.234 108.593 108.800 0.045 0.000 2.179 279 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.257 279 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.257 279 G C 0.560 175.561 174.900 0.169 0.000 1.010 279 G CA 0.313 45.473 45.100 0.101 0.000 0.736 279 G HN 0.390 nan 8.290 nan 0.000 0.513 280 V N -0.647 119.325 119.914 0.095 0.000 2.854 280 V HA 0.365 4.485 4.120 -0.000 0.000 0.236 280 V C 1.403 177.586 176.094 0.147 0.000 1.157 280 V CA 0.783 63.138 62.300 0.092 0.000 1.187 280 V CB -0.171 31.598 31.823 -0.090 0.000 0.949 280 V HN 0.422 nan 8.190 nan 0.000 0.488 281 L N 2.084 123.352 121.223 0.075 0.000 2.513 281 L HA 0.179 4.519 4.340 -0.000 0.000 0.272 281 L C 0.562 177.477 176.870 0.074 0.000 1.187 281 L CA 0.735 55.612 54.840 0.062 0.000 0.895 281 L CB -0.693 41.387 42.059 0.034 0.000 1.147 281 L HN 0.466 nan 8.230 nan 0.000 0.483 282 D N 2.171 122.610 120.400 0.065 0.000 3.076 282 D HA -0.196 4.444 4.640 -0.000 0.000 0.218 282 D C 0.721 177.057 176.300 0.058 0.000 1.156 282 D CA 1.104 55.132 54.000 0.046 0.000 0.921 282 D CB -1.199 39.618 40.800 0.028 0.000 1.113 282 D HN 0.425 nan 8.370 nan 0.000 0.418 283 V N -2.271 117.714 119.914 0.119 0.000 3.103 283 V HA 0.136 4.256 4.120 -0.000 0.000 0.229 283 V C 0.128 176.262 176.094 0.067 0.000 1.304 283 V CA 0.281 62.648 62.300 0.112 0.000 1.298 283 V CB 0.438 32.396 31.823 0.226 0.000 1.093 283 V HN 0.071 nan 8.190 nan 0.000 0.489 284 W N 0.106 121.403 121.300 -0.006 0.000 2.376 284 W HA 0.708 5.368 4.660 0.000 0.000 0.312 284 W C 0.978 177.451 176.519 -0.076 0.000 1.060 284 W CA 0.067 57.394 57.345 -0.030 0.000 1.221 284 W CB 1.327 30.756 29.460 -0.052 0.000 1.281 284 W HN 0.102 nan 8.180 nan 0.000 0.456 285 A N 2.293 125.157 122.820 0.074 0.000 1.968 285 A HA 0.113 4.433 4.320 -0.000 0.000 0.217 285 A C 0.669 178.176 177.584 -0.128 0.000 1.169 285 A CA 1.250 53.270 52.037 -0.029 0.000 0.638 285 A CB -0.260 18.705 19.000 -0.059 0.000 0.812 285 A HN 0.468 nan 8.150 nan 0.000 0.446 286 T N -1.711 112.739 114.554 -0.175 0.000 2.868 286 T HA 0.569 4.919 4.350 -0.000 0.000 0.306 286 T C -1.500 173.081 174.700 -0.198 0.000 1.224 286 T CA -0.473 61.411 62.100 -0.360 0.000 1.012 286 T CB 1.725 70.088 68.868 -0.842 0.000 1.221 286 T HN 0.350 nan 8.240 nan 0.000 0.499 287 L N 2.104 123.106 121.223 -0.368 0.000 2.493 287 L HA 0.757 5.097 4.340 -0.000 0.000 0.265 287 L C -1.938 174.606 176.870 -0.543 0.000 0.954 287 L CA -0.397 54.225 54.840 -0.363 0.000 0.844 287 L CB 2.019 43.866 42.059 -0.354 0.000 1.302 287 L HN 0.641 nan 8.230 nan 0.000 0.405 288 N N 4.302 122.687 118.700 -0.525 0.000 2.242 288 N HA 0.668 5.408 4.740 -0.000 0.000 0.292 288 N C -2.876 172.523 175.510 -0.184 0.000 1.125 288 N CA -1.680 51.063 53.050 -0.513 0.000 0.783 288 N CB 2.581 40.636 38.487 -0.721 0.000 1.558 288 N HN 0.291 nan 8.380 nan 0.000 0.472 289 P HA 0.211 nan 4.420 nan 0.000 0.277 289 P C 0.653 178.107 177.300 0.257 0.000 1.240 289 P CA -0.263 62.766 63.100 -0.118 0.000 0.798 289 P CB 0.696 32.049 31.700 -0.579 0.000 0.979 290 G N 0.320 109.357 108.800 0.396 0.000 2.848 290 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.208 290 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.208 290 G C 0.788 175.906 174.900 0.363 0.000 1.152 290 G CA 1.015 46.389 45.100 0.457 0.000 0.789 290 G HN 0.717 nan 8.290 nan 0.000 0.531 291 T N -3.963 110.761 114.554 0.285 0.000 11.087 291 T HA -0.229 4.121 4.350 -0.000 0.000 0.385 291 T C 1.447 176.308 174.700 0.269 0.000 1.679 291 T CA 1.638 63.867 62.100 0.216 0.000 2.690 291 T CB -1.891 67.093 68.868 0.193 0.000 2.619 291 T HN 1.510 nan 8.240 nan 0.000 0.900 292 G N 2.028 111.042 108.800 0.356 0.000 2.594 292 G HA2 0.458 4.418 3.960 -0.000 0.000 0.243 292 G HA3 0.458 4.418 3.960 -0.000 0.000 0.243 292 G C 0.300 175.419 174.900 0.364 0.000 1.229 292 G CA 0.273 45.637 45.100 0.439 0.000 0.843 292 G HN 1.748 nan 8.290 nan 0.000 0.578 293 S N -0.003 115.878 115.700 0.303 0.000 2.566 293 S HA 0.462 4.932 4.470 -0.000 0.000 0.280 293 S C 0.790 175.525 174.600 0.225 0.000 1.343 293 S CA 0.051 58.391 58.200 0.233 0.000 1.036 293 S CB 1.068 64.350 63.200 0.135 0.000 0.866 293 S HN 1.093 nan 8.310 nan 0.000 0.526 294 G N 0.001 108.940 108.800 0.231 0.000 2.531 294 G HA2 0.679 4.639 3.960 -0.000 0.000 0.313 294 G HA3 0.679 4.639 3.960 -0.000 0.000 0.313 294 G C -0.406 174.455 174.900 -0.065 0.000 1.238 294 G CA -0.426 44.688 45.100 0.024 0.000 0.994 294 G HN 1.759 nan 8.290 nan 0.000 0.493 295 V N -3.086 116.753 119.914 -0.125 0.000 3.049 295 V HA 0.656 4.776 4.120 -0.000 0.000 0.309 295 V C -1.464 174.667 176.094 0.061 0.000 1.148 295 V CA -1.401 60.895 62.300 -0.006 0.000 0.990 295 V CB 1.603 33.449 31.823 0.037 0.000 1.039 295 V HN 0.754 nan 8.190 nan 0.000 0.430 296 Y N 4.193 124.495 120.300 0.004 0.000 2.383 296 Y HA 0.711 5.261 4.550 0.000 0.000 0.344 296 Y C -1.202 174.806 175.900 0.179 0.000 0.986 296 Y CA -1.257 56.878 58.100 0.057 0.000 1.175 296 Y CB 1.095 39.570 38.460 0.025 0.000 1.152 296 Y HN 0.843 nan 8.280 nan 0.000 0.511 297 Y N 6.807 126.933 120.300 -0.290 0.000 2.354 297 Y HA 0.396 4.946 4.550 -0.000 0.000 0.330 297 Y C -0.298 175.476 175.900 -0.210 0.000 1.011 297 Y CA -1.600 56.372 58.100 -0.215 0.000 1.099 297 Y CB 0.780 39.228 38.460 -0.020 0.000 1.179 297 Y HN 0.674 nan 8.280 nan 0.000 0.442 298 L N 6.625 127.439 121.223 -0.683 0.000 3.739 298 L HA -0.343 3.997 4.340 -0.000 0.000 0.442 298 L C 1.152 177.904 176.870 -0.197 0.000 1.241 298 L CA 1.276 55.802 54.840 -0.524 0.000 0.819 298 L CB -1.574 40.050 42.059 -0.725 0.000 1.679 298 L HN 1.200 nan 8.230 nan 0.000 0.889 299 G N -2.828 105.728 108.800 -0.407 0.000 2.179 299 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.260 299 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.260 299 G C -0.233 174.665 174.900 -0.003 0.000 0.977 299 G CA 0.291 45.331 45.100 -0.101 0.000 0.641 299 G HN 0.395 nan 8.290 nan 0.000 0.533 300 W N -0.548 120.708 121.300 -0.074 0.000 2.689 300 W HA 0.672 5.332 4.660 0.000 0.000 0.340 300 W C -0.036 176.540 176.519 0.095 0.000 1.060 300 W CA -0.939 56.452 57.345 0.077 0.000 1.218 300 W CB 1.820 31.348 29.460 0.114 0.000 1.410 300 W HN 0.147 nan 8.180 nan 0.000 0.528 301 V N 4.539 124.630 119.914 0.294 0.000 2.370 301 V HA 0.410 4.530 4.120 -0.000 0.000 0.279 301 V C -0.130 175.909 176.094 -0.092 0.000 1.029 301 V CA -0.924 61.419 62.300 0.071 0.000 0.870 301 V CB 0.514 32.319 31.823 -0.030 0.000 0.984 301 V HN 0.320 nan 8.190 nan 0.000 0.451 302 L N 5.473 126.577 121.223 -0.199 0.000 2.307 302 L HA 0.662 5.002 4.340 -0.000 0.000 0.284 302 L C -0.934 175.737 176.870 -0.332 0.000 1.023 302 L CA -0.198 54.542 54.840 -0.167 0.000 0.810 302 L CB 1.316 43.341 42.059 -0.057 0.000 1.231 302 L HN 0.432 nan 8.230 nan 0.000 0.423 303 F N 2.812 122.834 119.950 0.120 0.000 2.563 303 F HA 0.556 5.083 4.527 -0.000 0.000 0.316 303 F C -2.195 173.733 175.800 0.213 0.000 1.076 303 F CA -2.369 55.752 58.000 0.202 0.000 0.921 303 F CB 1.945 41.127 39.000 0.304 0.000 1.209 303 F HN 0.252 nan 8.300 nan 0.000 0.462 304 P HA 0.434 nan 4.420 nan 0.000 0.279 304 P C -0.989 176.584 177.300 0.456 0.000 1.239 304 P CA -0.054 63.322 63.100 0.461 0.000 0.789 304 P CB 1.635 33.697 31.700 0.602 0.000 0.933 305 I N 0.718 121.521 120.570 0.388 0.000 3.074 305 I HA 0.796 4.966 4.170 -0.000 0.000 0.310 305 I C -1.326 175.081 176.117 0.484 0.000 1.153 305 I CA -1.521 59.998 61.300 0.365 0.000 0.993 305 I CB 2.424 40.523 38.000 0.165 0.000 1.237 305 I HN 0.396 nan 8.210 nan 0.000 0.443 306 Y N 0.970 121.407 120.300 0.229 0.000 2.677 306 Y HA 0.938 5.488 4.550 -0.000 0.000 0.334 306 Y C -0.540 175.574 175.900 0.356 0.000 1.196 306 Y CA -0.325 57.980 58.100 0.342 0.000 1.059 306 Y CB 1.030 39.676 38.460 0.311 0.000 1.315 306 Y HN 1.141 nan 8.280 nan 0.000 0.455 307 G N -0.448 108.609 108.800 0.428 0.000 2.335 307 G HA2 0.507 4.467 3.960 -0.000 0.000 0.291 307 G HA3 0.507 4.467 3.960 -0.000 0.000 0.291 307 G C -1.421 173.699 174.900 0.367 0.000 1.261 307 G CA -0.286 44.959 45.100 0.241 0.000 0.871 307 G HN 1.415 nan 8.290 nan 0.000 0.491 308 G N -0.833 108.086 108.800 0.198 0.000 2.478 308 G HA2 0.657 4.617 3.960 -0.000 0.000 0.317 308 G HA3 0.657 4.617 3.960 -0.000 0.000 0.317 308 G C -0.815 174.069 174.900 -0.027 0.000 1.259 308 G CA -0.342 44.884 45.100 0.209 0.000 0.933 308 G HN 0.960 nan 8.290 nan 0.000 0.478 309 V N 3.477 123.316 119.914 -0.126 0.000 2.539 309 V HA 0.353 4.473 4.120 -0.000 0.000 0.292 309 V C 0.528 176.674 176.094 0.087 0.000 1.045 309 V CA -0.646 61.517 62.300 -0.227 0.000 0.945 309 V CB 1.602 33.201 31.823 -0.374 0.000 0.993 309 V HN 0.609 nan 8.190 nan 0.000 0.464 310 I N 3.759 124.336 120.570 0.012 0.000 2.529 310 I HA 0.186 4.356 4.170 -0.000 0.000 0.284 310 I C 0.769 176.794 176.117 -0.154 0.000 1.082 310 I CA -0.052 61.230 61.300 -0.030 0.000 1.406 310 I CB 0.512 38.472 38.000 -0.066 0.000 1.405 310 I HN 0.613 nan 8.210 nan 0.000 0.548 311 K N 4.830 124.888 120.400 -0.570 0.000 2.451 311 K HA 0.148 4.468 4.320 -0.000 0.000 0.280 311 K C 0.927 176.974 176.600 -0.921 0.000 1.020 311 K CA 0.948 56.292 56.287 -1.571 0.000 1.008 311 K CB 0.350 31.978 32.500 -1.453 0.000 0.917 311 K HN 0.936 nan 8.250 nan 0.000 0.478 312 G N 2.354 110.556 108.800 -0.997 0.000 2.213 312 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.236 312 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.236 312 G C 0.193 174.997 174.900 -0.160 0.000 0.991 312 G CA 0.361 45.215 45.100 -0.411 0.000 0.629 312 G HN 0.860 nan 8.290 nan 0.000 0.517 313 T N -0.878 113.621 114.554 -0.092 0.000 2.828 313 T HA 0.627 4.977 4.350 -0.000 0.000 0.290 313 T C 1.595 176.348 174.700 0.088 0.000 1.019 313 T CA 0.736 62.843 62.100 0.013 0.000 1.031 313 T CB 1.557 70.440 68.868 0.026 0.000 1.001 313 T HN 0.312 nan 8.240 nan 0.000 0.531 314 S N 0.476 116.215 115.700 0.065 0.000 2.370 314 S HA -0.113 4.357 4.470 -0.000 0.000 0.226 314 S C 1.869 176.521 174.600 0.087 0.000 1.033 314 S CA 1.080 59.322 58.200 0.070 0.000 1.011 314 S CB -0.681 62.547 63.200 0.046 0.000 0.852 314 S HN 0.641 nan 8.310 nan 0.000 0.457 315 L N 1.995 123.263 121.223 0.075 0.000 2.012 315 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 315 L C 2.060 178.979 176.870 0.082 0.000 1.073 315 L CA 1.813 56.680 54.840 0.045 0.000 0.748 315 L CB -1.033 41.016 42.059 -0.016 0.000 0.891 315 L HN 0.561 nan 8.230 nan 0.000 0.431 316 W N 0.840 122.104 121.300 -0.061 0.000 2.333 316 W HA -0.281 4.379 4.660 -0.000 0.000 0.316 316 W C 2.250 178.777 176.519 0.013 0.000 1.215 316 W CA 2.061 59.398 57.345 -0.013 0.000 1.278 316 W CB -0.707 28.753 29.460 0.000 0.000 1.154 316 W HN 0.356 nan 8.180 nan 0.000 0.486 317 N N 0.798 119.739 118.700 0.401 0.000 2.104 317 N HA -0.201 4.539 4.740 -0.000 0.000 0.190 317 N C 1.196 176.760 175.510 0.090 0.000 1.024 317 N CA 1.770 54.975 53.050 0.258 0.000 0.853 317 N CB -1.160 37.438 38.487 0.184 0.000 1.008 317 N HN 0.267 nan 8.380 nan 0.000 0.424 318 N N 0.756 119.489 118.700 0.054 0.000 2.453 318 N HA -0.116 4.624 4.740 -0.000 0.000 0.183 318 N C 1.327 176.810 175.510 -0.045 0.000 1.041 318 N CA 0.619 53.671 53.050 0.003 0.000 0.900 318 N CB 0.006 38.492 38.487 -0.001 0.000 0.961 318 N HN 0.340 nan 8.380 nan 0.000 0.443 319 Q N 0.355 120.106 119.800 -0.081 0.000 2.319 319 Q HA 0.327 4.667 4.340 -0.000 0.000 0.209 319 Q C -0.171 175.717 176.000 -0.187 0.000 0.884 319 Q CA -0.218 55.487 55.803 -0.165 0.000 0.938 319 Q CB 0.319 28.924 28.738 -0.222 0.000 1.098 319 Q HN 0.240 nan 8.270 nan 0.000 0.517 320 A N 1.228 123.967 122.820 -0.134 0.000 2.567 320 A HA 0.013 4.333 4.320 -0.000 0.000 0.240 320 A C 0.472 178.036 177.584 -0.033 0.000 1.053 320 A CA 0.835 52.820 52.037 -0.087 0.000 0.755 320 A CB -0.336 18.664 19.000 -0.000 0.000 0.978 320 A HN 0.690 nan 8.150 nan 0.000 0.507 321 N N -0.531 118.174 118.700 0.009 0.000 2.936 321 N HA -0.154 4.586 4.740 -0.000 0.000 0.236 321 N C -0.152 175.410 175.510 0.086 0.000 0.930 321 N CA 1.581 54.668 53.050 0.062 0.000 0.966 321 N CB -0.713 37.808 38.487 0.057 0.000 1.090 321 N HN 0.837 nan 8.380 nan 0.000 0.592 322 K N 0.151 120.527 120.400 -0.041 0.000 2.118 322 K HA 0.392 4.712 4.320 -0.000 0.000 0.264 322 K C -0.366 176.166 176.600 -0.112 0.000 1.000 322 K CA 0.002 56.217 56.287 -0.120 0.000 0.929 322 K CB 0.778 33.143 32.500 -0.225 0.000 1.021 322 K HN 0.271 nan 8.250 nan 0.000 0.463 323 Y N -1.207 119.028 120.300 -0.109 0.000 2.702 323 Y HA 0.579 5.129 4.550 -0.000 0.000 0.336 323 Y C -1.990 174.076 175.900 0.278 0.000 1.203 323 Y CA -1.617 56.525 58.100 0.069 0.000 1.072 323 Y CB 0.832 39.401 38.460 0.180 0.000 1.327 323 Y HN 0.451 nan 8.280 nan 0.000 0.456 324 F N 3.083 123.262 119.950 0.381 0.000 2.561 324 F HA 0.805 5.332 4.527 -0.000 0.000 0.313 324 F C -1.836 174.198 175.800 0.389 0.000 1.126 324 F CA -1.843 56.292 58.000 0.226 0.000 0.918 324 F CB 1.507 40.612 39.000 0.175 0.000 1.199 324 F HN 0.553 nan 8.300 nan 0.000 0.444 325 I N 7.191 127.439 120.570 -0.536 0.000 2.439 325 I HA 0.316 4.486 4.170 -0.000 0.000 0.283 325 I C -2.392 173.195 176.117 -0.883 0.000 1.023 325 I CA -2.017 59.056 61.300 -0.377 0.000 1.100 325 I CB 1.849 39.826 38.000 -0.039 0.000 1.238 325 I HN 0.416 nan 8.210 nan 0.000 0.445 326 P HA -0.028 nan 4.420 nan 0.000 0.264 326 P C 0.599 177.603 177.300 -0.493 0.000 1.183 326 P CA 0.186 62.822 63.100 -0.774 0.000 0.763 326 P CB 0.611 31.719 31.700 -0.986 0.000 0.807 327 Q N 2.392 122.026 119.800 -0.277 0.000 2.242 327 Q HA -0.218 4.122 4.340 -0.000 0.000 0.211 327 Q C 1.080 176.999 176.000 -0.134 0.000 0.992 327 Q CA 1.701 57.417 55.803 -0.145 0.000 0.889 327 Q CB -0.168 28.545 28.738 -0.043 0.000 0.913 327 Q HN 0.524 nan 8.270 nan 0.000 0.422 328 M N -0.966 118.540 119.600 -0.156 0.000 2.453 328 M HA 0.013 4.493 4.480 -0.000 0.000 0.239 328 M C 1.199 177.426 176.300 -0.121 0.000 1.151 328 M CA -0.239 55.015 55.300 -0.077 0.000 0.989 328 M CB 0.841 33.466 32.600 0.042 0.000 1.548 328 M HN 0.021 nan 8.290 nan 0.000 0.479 329 V N 0.200 119.927 119.914 -0.311 0.000 2.346 329 V HA -0.167 3.953 4.120 -0.000 0.000 0.244 329 V C 2.596 178.636 176.094 -0.091 0.000 1.037 329 V CA 1.968 64.093 62.300 -0.292 0.000 1.029 329 V CB -0.856 30.745 31.823 -0.370 0.000 0.663 329 V HN 0.552 nan 8.190 nan 0.000 0.454 330 A N 0.627 123.390 122.820 -0.096 0.000 1.881 330 A HA -0.309 4.011 4.320 -0.000 0.000 0.219 330 A C 2.363 179.934 177.584 -0.022 0.000 1.215 330 A CA 2.757 54.761 52.037 -0.056 0.000 0.648 330 A CB -1.084 17.885 19.000 -0.053 0.000 0.832 330 A HN 0.656 nan 8.150 nan 0.000 0.455 331 A N -1.468 121.347 122.820 -0.009 0.000 2.178 331 A HA 0.184 4.504 4.320 -0.000 0.000 0.218 331 A C 1.889 179.493 177.584 0.034 0.000 1.157 331 A CA 1.405 53.449 52.037 0.011 0.000 0.689 331 A CB -0.393 18.616 19.000 0.015 0.000 0.787 331 A HN 0.506 nan 8.150 nan 0.000 0.465 332 L N -2.041 119.217 121.223 0.057 0.000 2.701 332 L HA 0.179 4.519 4.340 -0.000 0.000 0.238 332 L C 0.736 177.660 176.870 0.091 0.000 1.106 332 L CA -0.384 54.514 54.840 0.096 0.000 0.898 332 L CB 0.455 42.625 42.059 0.185 0.000 1.188 332 L HN 0.390 nan 8.230 nan 0.000 0.508 333 C N 0.338 119.672 119.300 0.058 0.000 2.350 333 C HA 0.307 4.767 4.460 -0.000 0.000 0.348 333 C C 2.030 177.021 174.990 0.002 0.000 1.260 333 C CA -0.152 58.886 59.018 0.033 0.000 1.966 333 C CB 1.010 28.746 27.740 -0.006 0.000 2.380 333 C HN 0.506 nan 8.230 nan 0.000 0.535 334 S N 3.714 119.414 115.700 -0.002 0.000 2.527 334 S HA 0.042 4.512 4.470 -0.000 0.000 0.222 334 S C 0.483 175.065 174.600 -0.029 0.000 0.985 334 S CA 0.177 58.370 58.200 -0.011 0.000 0.921 334 S CB -0.210 62.987 63.200 -0.005 0.000 0.772 334 S HN 0.913 nan 8.310 nan 0.000 0.529 335 Q N 2.330 122.102 119.800 -0.047 0.000 2.368 335 Q HA 0.324 4.664 4.340 -0.000 0.000 0.237 335 Q C -0.264 175.696 176.000 -0.067 0.000 0.987 335 Q CA -0.616 55.148 55.803 -0.065 0.000 0.896 335 Q CB 0.327 29.007 28.738 -0.097 0.000 1.241 335 Q HN 0.642 nan 8.270 nan 0.000 0.485 336 N N 0.095 118.756 118.700 -0.065 0.000 2.445 336 N HA -0.060 4.680 4.740 -0.000 0.000 0.264 336 N C 0.474 175.936 175.510 -0.079 0.000 1.227 336 N CA -0.313 52.701 53.050 -0.060 0.000 0.963 336 N CB 0.583 39.041 38.487 -0.049 0.000 1.188 336 N HN 0.462 nan 8.380 nan 0.000 0.491 337 Q N 0.604 120.364 119.800 -0.068 0.000 2.077 337 Q HA -0.144 4.196 4.340 -0.000 0.000 0.206 337 Q C 1.851 177.792 176.000 -0.098 0.000 0.989 337 Q CA 2.646 58.403 55.803 -0.075 0.000 0.853 337 Q CB -0.951 27.758 28.738 -0.047 0.000 0.907 337 Q HN 0.819 nan 8.270 nan 0.000 0.418 338 A N -1.185 121.586 122.820 -0.082 0.000 1.902 338 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 338 A C 2.305 179.817 177.584 -0.120 0.000 1.181 338 A CA 2.019 54.001 52.037 -0.091 0.000 0.623 338 A CB -0.946 18.016 19.000 -0.063 0.000 0.818 338 A HN 0.473 nan 8.150 nan 0.000 0.443 339 T N -0.216 114.270 114.554 -0.113 0.000 2.821 339 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 339 T C 2.083 176.675 174.700 -0.181 0.000 1.046 339 T CA 1.603 63.628 62.100 -0.125 0.000 1.139 339 T CB -0.209 68.597 68.868 -0.102 0.000 0.871 339 T HN 0.605 nan 8.240 nan 0.000 0.454 340 Q N 0.257 119.934 119.800 -0.205 0.000 2.050 340 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 340 Q C 2.559 178.350 176.000 -0.348 0.000 0.980 340 Q CA 1.225 56.855 55.803 -0.288 0.000 0.840 340 Q CB -0.385 28.200 28.738 -0.254 0.000 0.898 340 Q HN 0.326 nan 8.270 nan 0.000 0.424 341 V N 1.088 120.790 119.914 -0.354 0.000 2.332 341 V HA -0.328 3.792 4.120 -0.000 0.000 0.248 341 V C 2.343 178.147 176.094 -0.484 0.000 1.055 341 V CA 2.239 64.179 62.300 -0.599 0.000 1.038 341 V CB -0.675 30.844 31.823 -0.507 0.000 0.651 341 V HN 0.446 nan 8.190 nan 0.000 0.450 342 Q N -0.009 119.624 119.800 -0.279 0.000 2.084 342 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 342 Q C 2.125 178.046 176.000 -0.132 0.000 0.978 342 Q CA 1.906 57.607 55.803 -0.170 0.000 0.844 342 Q CB -0.100 28.568 28.738 -0.115 0.000 0.898 342 Q HN 0.653 nan 8.270 nan 0.000 0.426 343 N N 0.271 118.865 118.700 -0.176 0.000 2.216 343 N HA -0.087 4.653 4.740 -0.000 0.000 0.183 343 N C 1.625 177.047 175.510 -0.147 0.000 1.017 343 N CA 1.178 54.133 53.050 -0.157 0.000 0.861 343 N CB -0.306 38.037 38.487 -0.240 0.000 0.986 343 N HN 0.344 nan 8.380 nan 0.000 0.428 344 A N 1.858 124.544 122.820 -0.223 0.000 1.902 344 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 344 A C 2.133 179.883 177.584 0.277 0.000 1.181 344 A CA 1.324 53.352 52.037 -0.015 0.000 0.623 344 A CB -0.363 18.643 19.000 0.010 0.000 0.818 344 A HN 0.237 nan 8.150 nan 0.000 0.443 345 K N 0.342 120.824 120.400 0.138 0.000 2.103 345 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 345 K C 2.263 179.091 176.600 0.380 0.000 1.048 345 K CA 1.657 58.107 56.287 0.271 0.000 0.930 345 K CB -0.234 32.340 32.500 0.123 0.000 0.716 345 K HN 0.667 nan 8.250 nan 0.000 0.444 346 S N 0.584 116.454 115.700 0.283 0.000 2.489 346 S HA -0.067 4.403 4.470 -0.000 0.000 0.228 346 S C 1.874 176.719 174.600 0.409 0.000 0.995 346 S CA 0.985 59.395 58.200 0.350 0.000 0.934 346 S CB -0.166 63.155 63.200 0.202 0.000 0.771 346 S HN 0.267 nan 8.310 nan 0.000 0.522 347 S N 0.066 115.972 115.700 0.342 0.000 2.547 347 S HA 0.026 4.496 4.470 -0.000 0.000 0.235 347 S C 0.961 175.643 174.600 0.138 0.000 0.980 347 S CA 0.095 58.474 58.200 0.299 0.000 0.941 347 S CB -0.878 62.432 63.200 0.183 0.000 0.763 347 S HN 0.651 nan 8.310 nan 0.000 0.532 348 Y N 0.330 120.669 120.300 0.065 0.000 2.466 348 Y HA 0.402 4.952 4.550 -0.000 0.000 0.272 348 Y C -0.240 175.423 175.900 -0.395 0.000 1.169 348 Y CA -0.873 57.102 58.100 -0.209 0.000 1.285 348 Y CB -0.197 37.977 38.460 -0.477 0.000 1.078 348 Y HN 0.252 nan 8.280 nan 0.000 0.523 349 Y N -0.856 119.619 120.300 0.292 0.000 2.350 349 Y HA 0.492 5.042 4.550 -0.000 0.000 0.338 349 Y C -0.011 175.847 175.900 -0.071 0.000 0.961 349 Y CA -1.622 56.557 58.100 0.131 0.000 1.100 349 Y CB 1.987 40.482 38.460 0.059 0.000 1.179 349 Y HN -0.294 nan 8.280 nan 0.000 0.454 350 S N 1.179 116.943 115.700 0.108 0.000 2.566 350 S HA 0.281 4.751 4.470 -0.000 0.000 0.324 350 S C 0.769 175.335 174.600 -0.057 0.000 1.081 350 S CA -0.200 57.901 58.200 -0.165 0.000 1.105 350 S CB 0.558 63.901 63.200 0.238 0.000 0.981 350 S HN 0.776 nan 8.310 nan 0.000 0.464 351 S N 5.200 120.810 115.700 -0.149 0.000 2.428 351 S HA -0.062 4.408 4.470 -0.000 0.000 0.230 351 S C 1.547 176.215 174.600 0.114 0.000 1.014 351 S CA -0.059 58.139 58.200 -0.003 0.000 0.957 351 S CB -0.521 62.678 63.200 -0.002 0.000 0.784 351 S HN 0.916 nan 8.310 nan 0.000 0.499 352 W N 1.282 122.552 121.300 -0.050 0.000 2.402 352 W HA 0.147 4.807 4.660 -0.000 0.000 0.286 352 W C -0.653 175.976 176.519 0.185 0.000 1.221 352 W CA 0.284 57.649 57.345 0.033 0.000 1.257 352 W CB 0.029 29.416 29.460 -0.122 0.000 1.120 352 W HN 0.209 nan 8.180 nan 0.000 0.551 353 F N 1.628 121.578 119.950 0.000 0.000 2.387 353 F HA 0.365 4.892 4.527 -0.000 0.000 0.332 353 F C 1.322 176.888 175.800 -0.391 0.000 1.174 353 F CA -0.664 57.185 58.000 -0.252 0.000 1.257 353 F CB -0.139 38.535 39.000 -0.544 0.000 1.569 353 F HN 0.092 nan 8.300 nan 0.000 0.554 354 G N 2.180 110.428 108.800 -0.920 0.000 2.269 354 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.277 354 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.277 354 G C 0.700 175.343 174.900 -0.428 0.000 1.008 354 G CA 0.647 44.925 45.100 -1.369 0.000 0.774 354 G HN 0.748 nan 8.290 nan 0.000 0.511 355 N N -1.829 116.773 118.700 -0.163 0.000 2.735 355 N HA -0.185 4.555 4.740 -0.000 0.000 0.248 355 N C 0.702 176.317 175.510 0.174 0.000 1.083 355 N CA 1.321 54.387 53.050 0.027 0.000 0.703 355 N CB -0.163 38.322 38.487 -0.004 0.000 1.005 355 N HN 0.644 nan 8.380 nan 0.000 0.550 356 R N 0.415 121.049 120.500 0.223 0.000 2.674 356 R HA 0.422 4.762 4.340 -0.000 0.000 0.266 356 R C 0.484 177.041 176.300 0.428 0.000 1.016 356 R CA -0.742 55.565 56.100 0.345 0.000 1.062 356 R CB 0.569 31.056 30.300 0.311 0.000 1.142 356 R HN 0.293 nan 8.270 nan 0.000 0.517 357 M N 2.962 122.810 119.600 0.413 0.000 2.108 357 M HA 0.206 4.686 4.480 -0.000 0.000 0.347 357 M C -0.560 175.812 176.300 0.120 0.000 1.326 357 M CA -0.497 54.882 55.300 0.133 0.000 1.126 357 M CB 0.377 32.922 32.600 -0.091 0.000 1.606 357 M HN 0.265 nan 8.290 nan 0.000 0.462 358 I N 4.856 125.539 120.570 0.189 0.000 2.494 358 I HA 0.105 4.275 4.170 -0.000 0.000 0.289 358 I C 0.032 176.287 176.117 0.230 0.000 1.106 358 I CA 0.319 61.791 61.300 0.286 0.000 1.369 358 I CB -0.325 37.880 38.000 0.342 0.000 1.410 358 I HN 0.709 nan 8.210 nan 0.000 0.523 359 Q N 4.621 124.555 119.800 0.224 0.000 2.309 359 Q HA 0.509 4.849 4.340 -0.000 0.000 0.264 359 Q C -0.850 175.409 176.000 0.430 0.000 1.008 359 Q CA -0.297 55.637 55.803 0.218 0.000 0.853 359 Q CB 1.953 30.648 28.738 -0.072 0.000 1.314 359 Q HN 0.637 nan 8.270 nan 0.000 0.448 360 S N 0.891 116.829 115.700 0.398 0.000 2.593 360 S HA 0.994 5.464 4.470 -0.000 0.000 0.297 360 S C -0.686 174.190 174.600 0.461 0.000 1.112 360 S CA 0.160 58.638 58.200 0.462 0.000 1.043 360 S CB 1.360 64.792 63.200 0.387 0.000 1.054 360 S HN 0.833 nan 8.310 nan 0.000 0.516 361 G N 0.999 110.018 108.800 0.364 0.000 2.490 361 G HA2 0.548 4.508 3.960 -0.000 0.000 0.308 361 G HA3 0.548 4.508 3.960 -0.000 0.000 0.308 361 G C -2.044 172.774 174.900 -0.137 0.000 1.286 361 G CA -0.606 44.497 45.100 0.005 0.000 0.825 361 G HN 0.642 nan 8.290 nan 0.000 0.479 362 I N 0.167 120.562 120.570 -0.291 0.000 2.582 362 I HA 0.445 4.615 4.170 -0.000 0.000 0.292 362 I C -1.246 174.795 176.117 -0.126 0.000 1.066 362 I CA -0.810 60.376 61.300 -0.191 0.000 1.053 362 I CB 2.330 40.124 38.000 -0.342 0.000 1.241 362 I HN 0.403 nan 8.210 nan 0.000 0.421 363 L N 6.535 127.756 121.223 -0.005 0.000 2.287 363 L HA 0.753 5.093 4.340 -0.000 0.000 0.287 363 L C -0.280 176.611 176.870 0.034 0.000 1.022 363 L CA -0.032 54.790 54.840 -0.029 0.000 0.814 363 L CB 1.251 43.270 42.059 -0.068 0.000 1.217 363 L HN 0.655 nan 8.230 nan 0.000 0.420 364 A N 4.972 127.799 122.820 0.012 0.000 2.271 364 A HA 0.678 4.998 4.320 -0.000 0.000 0.317 364 A C -0.820 176.980 177.584 0.359 0.000 1.245 364 A CA -0.432 51.687 52.037 0.137 0.000 0.857 364 A CB 0.493 19.452 19.000 -0.067 0.000 1.175 364 A HN 0.767 nan 8.150 nan 0.000 0.512 365 c N 4.873 123.704 118.600 0.385 0.000 2.408 365 c HA 0.671 5.241 4.570 -0.000 0.000 0.321 365 c C -2.347 171.750 174.090 0.010 0.000 1.245 365 c CA -1.078 55.389 56.329 0.230 0.000 1.523 365 c CB 1.697 44.289 42.510 0.136 0.000 2.178 365 c HN 0.743 nan 8.230 nan 0.000 0.488 366 P HA 0.104 nan 4.420 nan 0.000 0.275 366 P C -0.650 176.439 177.300 -0.351 0.000 1.227 366 P CA -0.291 62.246 63.100 -0.939 0.000 0.781 366 P CB 0.818 31.843 31.700 -1.124 0.000 0.906 367 L N 4.952 126.036 121.223 -0.232 0.000 2.536 367 L HA 0.139 4.479 4.340 -0.000 0.000 0.282 367 L C 0.344 177.172 176.870 -0.069 0.000 1.174 367 L CA 0.719 55.520 54.840 -0.066 0.000 0.989 367 L CB -1.259 40.817 42.059 0.028 0.000 1.311 367 L HN 0.352 nan 8.230 nan 0.000 0.455 368 R N 2.726 123.194 120.500 -0.054 0.000 2.836 368 R HA 0.381 4.721 4.340 -0.000 0.000 0.269 368 R C 0.035 176.342 176.300 0.011 0.000 1.010 368 R CA -0.667 55.413 56.100 -0.033 0.000 0.930 368 R CB 1.343 31.602 30.300 -0.068 0.000 1.218 368 R HN 0.441 nan 8.270 nan 0.000 0.473 369 Q N 0.572 120.387 119.800 0.025 0.000 2.282 369 Q HA 0.024 4.364 4.340 -0.000 0.000 0.206 369 Q C -0.407 175.604 176.000 0.019 0.000 0.878 369 Q CA 0.334 56.165 55.803 0.047 0.000 0.944 369 Q CB 0.644 29.425 28.738 0.072 0.000 1.100 369 Q HN 0.504 nan 8.270 nan 0.000 0.509 370 D N -0.208 120.192 120.400 -0.000 0.000 2.804 370 D HA 0.092 4.732 4.640 -0.000 0.000 0.308 370 D C -0.158 176.135 176.300 -0.013 0.000 1.371 370 D CA -0.283 53.714 54.000 -0.006 0.000 0.823 370 D CB -0.152 40.642 40.800 -0.009 0.000 1.126 370 D HN 0.090 nan 8.370 nan 0.000 0.467 371 L N 1.119 122.333 121.223 -0.015 0.000 2.525 371 L HA 0.096 4.436 4.340 -0.000 0.000 0.278 371 L C 1.643 178.504 176.870 -0.015 0.000 1.218 371 L CA 0.692 55.519 54.840 -0.021 0.000 0.878 371 L CB 0.735 42.781 42.059 -0.022 0.000 1.127 371 L HN 0.239 nan 8.230 nan 0.000 0.492 372 T N -2.349 112.196 114.554 -0.015 0.000 3.464 372 T HA 0.071 4.421 4.350 -0.000 0.000 0.222 372 T C 0.703 175.396 174.700 -0.012 0.000 0.982 372 T CA 0.144 62.237 62.100 -0.011 0.000 1.132 372 T CB 0.157 69.021 68.868 -0.007 0.000 1.226 372 T HN 0.570 nan 8.240 nan 0.000 0.346 373 N N 0.951 119.647 118.700 -0.006 0.000 2.451 373 N HA 0.286 5.026 4.740 -0.000 0.000 0.271 373 N C -0.038 175.479 175.510 0.011 0.000 1.410 373 N CA -0.203 52.846 53.050 -0.003 0.000 0.884 373 N CB 0.611 39.098 38.487 0.000 0.000 1.332 373 N HN 0.444 nan 8.380 nan 0.000 0.498 374 E N -0.083 120.125 120.200 0.013 0.000 2.400 374 E HA 0.203 4.553 4.350 -0.000 0.000 0.195 374 E C -0.052 176.607 176.600 0.099 0.000 1.012 374 E CA 0.118 56.544 56.400 0.043 0.000 0.875 374 E CB 0.218 29.917 29.700 -0.002 0.000 0.859 374 E HN 0.345 nan 8.360 nan 0.000 0.498 375 c N 1.365 119.999 118.600 0.056 0.000 2.652 375 c HA 0.275 4.845 4.570 -0.000 0.000 0.412 375 c C 0.306 174.427 174.090 0.052 0.000 1.294 375 c CA -0.618 55.760 56.329 0.082 0.000 2.127 375 c CB -0.574 41.925 42.510 -0.018 0.000 2.691 375 c HN 0.299 nan 8.230 nan 0.000 0.615 376 L N 2.933 124.189 121.223 0.055 0.000 2.341 376 L HA 0.519 4.859 4.340 -0.000 0.000 0.278 376 L C -0.413 176.396 176.870 -0.101 0.000 1.005 376 L CA -0.509 54.310 54.840 -0.035 0.000 0.818 376 L CB 1.232 43.247 42.059 -0.073 0.000 1.259 376 L HN 0.346 nan 8.230 nan 0.000 0.418 377 V N 5.046 124.888 119.914 -0.119 0.000 2.368 377 V HA 0.290 4.410 4.120 -0.000 0.000 0.266 377 V C 0.075 176.100 176.094 -0.115 0.000 1.045 377 V CA -0.133 62.074 62.300 -0.157 0.000 0.899 377 V CB 1.151 32.840 31.823 -0.224 0.000 1.006 377 V HN 0.482 nan 8.190 nan 0.000 0.470 378 L N 9.007 130.131 121.223 -0.165 0.000 2.324 378 L HA 0.469 4.809 4.340 -0.000 0.000 0.274 378 L C -2.288 174.441 176.870 -0.237 0.000 1.012 378 L CA -1.546 53.167 54.840 -0.213 0.000 0.859 378 L CB 2.084 43.948 42.059 -0.325 0.000 1.224 378 L HN 0.426 nan 8.230 nan 0.000 0.429 379 P HA 0.224 nan 4.420 nan 0.000 0.282 379 P C -0.763 176.433 177.300 -0.174 0.000 1.249 379 P CA -0.422 62.662 63.100 -0.026 0.000 0.806 379 P CB 1.056 32.852 31.700 0.161 0.000 0.984 380 F N 0.390 120.289 119.950 -0.085 0.000 2.418 380 F HA 0.166 4.692 4.527 -0.000 0.000 0.341 380 F C 1.753 177.468 175.800 -0.142 0.000 1.120 380 F CA 0.328 58.226 58.000 -0.170 0.000 1.232 380 F CB 0.617 39.470 39.000 -0.246 0.000 1.175 380 F HN 0.197 nan 8.300 nan 0.000 0.569 381 S N 2.025 117.757 115.700 0.053 0.000 2.531 381 S HA 0.069 4.539 4.470 -0.000 0.000 0.279 381 S C 0.949 175.500 174.600 -0.082 0.000 1.305 381 S CA -0.755 57.416 58.200 -0.048 0.000 1.058 381 S CB 0.135 63.288 63.200 -0.078 0.000 0.899 381 S HN 0.576 nan 8.310 nan 0.000 0.493 382 N N 3.640 122.250 118.700 -0.149 0.000 2.571 382 N HA -0.001 4.739 4.740 -0.000 0.000 0.189 382 N C 0.406 175.801 175.510 -0.192 0.000 1.154 382 N CA 0.371 53.278 53.050 -0.238 0.000 0.907 382 N CB -0.032 38.070 38.487 -0.640 0.000 0.977 382 N HN 0.609 nan 8.380 nan 0.000 0.449 383 D N 0.008 120.311 120.400 -0.161 0.000 2.348 383 D HA 0.047 4.687 4.640 -0.000 0.000 0.211 383 D C 0.990 177.242 176.300 -0.080 0.000 0.998 383 D CA 0.548 54.467 54.000 -0.136 0.000 0.873 383 D CB 0.446 41.151 40.800 -0.159 0.000 0.925 383 D HN 0.437 nan 8.370 nan 0.000 0.524 384 Q N -0.642 119.012 119.800 -0.244 0.000 2.211 384 Q HA 0.218 4.558 4.340 -0.000 0.000 0.242 384 Q C -0.057 175.359 176.000 -0.974 0.000 0.825 384 Q CA 0.076 55.515 55.803 -0.606 0.000 0.951 384 Q CB 2.534 31.043 28.738 -0.381 0.000 1.130 384 Q HN -0.081 nan 8.270 nan 0.000 0.496 385 V N 0.985 120.608 119.914 -0.486 0.000 3.078 385 V HA 0.374 4.494 4.120 -0.000 0.000 0.311 385 V C -0.287 175.929 176.094 0.202 0.000 1.138 385 V CA -0.861 61.240 62.300 -0.331 0.000 1.007 385 V CB 2.469 33.975 31.823 -0.527 0.000 1.045 385 V HN 0.120 nan 8.190 nan 0.000 0.432 386 L N 1.776 123.141 121.223 0.237 0.000 2.543 386 L HA 0.450 4.790 4.340 -0.000 0.000 0.231 386 L C 0.690 177.577 176.870 0.030 0.000 1.194 386 L CA -0.463 54.473 54.840 0.160 0.000 0.823 386 L CB 0.382 42.438 42.059 -0.006 0.000 1.374 386 L HN 0.639 nan 8.230 nan 0.000 0.507 387 M N 0.917 120.317 119.600 -0.333 0.000 2.248 387 M HA 0.037 4.517 4.480 -0.000 0.000 0.343 387 M C 0.565 176.875 176.300 0.016 0.000 1.243 387 M CA 0.207 55.362 55.300 -0.241 0.000 1.025 387 M CB 0.396 32.825 32.600 -0.285 0.000 1.759 387 M HN 0.619 nan 8.290 nan 0.000 0.452 388 G N 3.723 112.622 108.800 0.166 0.000 2.464 388 G HA2 0.404 4.364 3.960 -0.000 0.000 0.231 388 G HA3 0.404 4.364 3.960 -0.000 0.000 0.231 388 G C -0.555 174.447 174.900 0.170 0.000 1.267 388 G CA 0.086 45.336 45.100 0.251 0.000 0.863 388 G HN 1.128 nan 8.290 nan 0.000 0.559 389 A N 1.687 124.523 122.820 0.027 0.000 2.536 389 A HA 0.688 5.008 4.320 -0.000 0.000 0.293 389 A C -0.192 176.994 177.584 -0.664 0.000 1.119 389 A CA -0.745 51.074 52.037 -0.363 0.000 0.654 389 A CB 0.530 19.395 19.000 -0.225 0.000 1.291 389 A HN 0.683 nan 8.150 nan 0.000 0.439 390 E N -0.737 119.013 120.200 -0.749 0.000 2.425 390 E HA 0.411 4.761 4.350 -0.000 0.000 0.258 390 E C 0.413 177.001 176.600 -0.020 0.000 1.151 390 E CA 0.892 57.107 56.400 -0.308 0.000 0.958 390 E CB 0.583 30.296 29.700 0.022 0.000 0.968 390 E HN 1.032 nan 8.360 nan 0.000 0.451 391 G N 0.066 109.019 108.800 0.255 0.000 2.548 391 G HA2 0.523 4.483 3.960 -0.000 0.000 0.301 391 G HA3 0.523 4.483 3.960 -0.000 0.000 0.301 391 G C -1.582 173.602 174.900 0.473 0.000 1.349 391 G CA -0.774 44.453 45.100 0.212 0.000 0.792 391 G HN 0.421 nan 8.290 nan 0.000 0.481 392 R N -0.812 119.933 120.500 0.409 0.000 2.643 392 R HA 0.626 4.966 4.340 -0.000 0.000 0.269 392 R C -1.686 174.833 176.300 0.364 0.000 1.037 392 R CA -0.733 55.592 56.100 0.376 0.000 0.894 392 R CB 1.636 32.108 30.300 0.288 0.000 1.238 392 R HN 0.463 nan 8.270 nan 0.000 0.459 393 L N 3.512 124.865 121.223 0.216 0.000 2.334 393 L HA 0.602 4.942 4.340 -0.000 0.000 0.276 393 L C -1.165 175.708 176.870 0.005 0.000 1.014 393 L CA -0.855 54.143 54.840 0.264 0.000 0.815 393 L CB 1.530 43.723 42.059 0.224 0.000 1.268 393 L HN 0.611 nan 8.230 nan 0.000 0.428 394 Y N 1.489 121.881 120.300 0.154 0.000 2.634 394 Y HA 0.648 5.198 4.550 -0.000 0.000 0.340 394 Y C -0.345 175.482 175.900 -0.121 0.000 1.058 394 Y CA -0.967 57.097 58.100 -0.061 0.000 1.081 394 Y CB 2.108 40.396 38.460 -0.288 0.000 1.295 394 Y HN 0.387 nan 8.280 nan 0.000 0.487 395 M N 1.691 121.199 119.600 -0.153 0.000 2.151 395 M HA 0.461 4.941 4.480 -0.000 0.000 0.290 395 M C -2.313 173.719 176.300 -0.447 0.000 0.965 395 M CA -0.562 54.658 55.300 -0.132 0.000 0.930 395 M CB 0.880 33.475 32.600 -0.009 0.000 1.560 395 M HN 0.519 nan 8.290 nan 0.000 0.438 396 Y N 4.355 124.537 120.300 -0.196 0.000 2.447 396 Y HA 0.624 5.174 4.550 -0.000 0.000 0.325 396 Y C 0.963 176.719 175.900 -0.240 0.000 0.976 396 Y CA 0.122 57.900 58.100 -0.538 0.000 1.280 396 Y CB 1.097 38.797 38.460 -1.266 0.000 1.104 396 Y HN 0.970 nan 8.280 nan 0.000 0.486 397 G N 2.452 111.236 108.800 -0.027 0.000 2.561 397 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.289 397 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.289 397 G C 0.593 175.564 174.900 0.118 0.000 1.169 397 G CA 0.651 45.792 45.100 0.068 0.000 0.980 397 G HN 0.521 nan 8.290 nan 0.000 0.550 398 D N 1.251 121.747 120.400 0.161 0.000 2.349 398 D HA 0.300 4.940 4.640 -0.000 0.000 0.214 398 D C 0.791 177.245 176.300 0.256 0.000 1.063 398 D CA 0.767 54.889 54.000 0.204 0.000 0.847 398 D CB 0.398 41.297 40.800 0.165 0.000 0.933 398 D HN 0.268 nan 8.370 nan 0.000 0.513 399 S N 0.398 116.249 115.700 0.252 0.000 2.508 399 S HA 0.379 4.849 4.470 -0.000 0.000 0.284 399 S C 0.232 175.003 174.600 0.285 0.000 1.192 399 S CA -0.655 57.715 58.200 0.283 0.000 1.070 399 S CB 2.560 66.025 63.200 0.442 0.000 1.004 399 S HN -0.147 nan 8.310 nan 0.000 0.493 400 V N 3.662 123.655 119.914 0.132 0.000 2.481 400 V HA 0.440 4.560 4.120 -0.000 0.000 0.286 400 V C -0.994 175.264 176.094 0.272 0.000 1.042 400 V CA -0.412 61.950 62.300 0.104 0.000 0.928 400 V CB 0.513 32.223 31.823 -0.188 0.000 0.986 400 V HN 0.777 nan 8.190 nan 0.000 0.462 401 Y N 2.911 123.362 120.300 0.251 0.000 2.570 401 Y HA 0.636 5.186 4.550 -0.000 0.000 0.345 401 Y C -0.726 175.475 175.900 0.503 0.000 1.014 401 Y CA -0.954 57.360 58.100 0.357 0.000 1.063 401 Y CB 2.090 40.775 38.460 0.375 0.000 1.272 401 Y HN 0.615 nan 8.280 nan 0.000 0.477 402 Y N 2.514 123.082 120.300 0.447 0.000 2.442 402 Y HA 0.464 5.014 4.550 -0.000 0.000 0.344 402 Y C -1.932 174.253 175.900 0.475 0.000 0.976 402 Y CA -1.767 56.589 58.100 0.425 0.000 1.040 402 Y CB 1.104 39.704 38.460 0.233 0.000 1.228 402 Y HN 0.548 nan 8.280 nan 0.000 0.451 403 Y N 6.115 126.338 120.300 -0.129 0.000 2.331 403 Y HA 0.496 5.046 4.550 -0.000 0.000 0.338 403 Y C -1.009 174.431 175.900 -0.767 0.000 0.992 403 Y CA -0.677 57.270 58.100 -0.254 0.000 1.121 403 Y CB 1.238 39.726 38.460 0.045 0.000 1.184 403 Y HN 0.721 nan 8.280 nan 0.000 0.469 404 Q N 7.179 126.148 119.800 -1.386 0.000 2.333 404 Q HA 0.336 4.676 4.340 -0.000 0.000 0.268 404 Q C -0.659 174.609 176.000 -1.220 0.000 1.007 404 Q CA -1.062 54.058 55.803 -1.139 0.000 0.810 404 Q CB 1.014 29.492 28.738 -0.434 0.000 1.264 404 Q HN 0.916 nan 8.270 nan 0.000 0.452 405 R N 2.354 122.255 120.500 -0.997 0.000 2.640 405 R HA 0.067 4.407 4.340 -0.000 0.000 0.270 405 R C -0.864 175.216 176.300 -0.367 0.000 1.024 405 R CA 0.401 56.148 56.100 -0.590 0.000 1.085 405 R CB 0.544 30.666 30.300 -0.297 0.000 0.963 405 R HN 0.525 nan 8.270 nan 0.000 0.426 406 S N 3.678 119.223 115.700 -0.258 0.000 2.955 406 S HA 0.072 4.542 4.470 -0.000 0.000 0.294 406 S C 0.111 174.610 174.600 -0.169 0.000 1.198 406 S CA -0.460 57.611 58.200 -0.215 0.000 1.008 406 S CB 0.293 63.361 63.200 -0.219 0.000 1.279 406 S HN 0.626 nan 8.310 nan 0.000 0.508 407 N N 1.339 119.942 118.700 -0.161 0.000 2.230 407 N HA 0.180 4.920 4.740 -0.000 0.000 0.202 407 N C 0.636 176.046 175.510 -0.166 0.000 1.119 407 N CA 0.047 53.025 53.050 -0.120 0.000 0.851 407 N CB 0.461 38.904 38.487 -0.073 0.000 0.990 407 N HN 0.426 nan 8.380 nan 0.000 0.497 408 S N -1.443 114.133 115.700 -0.206 0.000 2.589 408 S HA 0.250 4.720 4.470 -0.000 0.000 0.272 408 S C 1.057 175.569 174.600 -0.146 0.000 1.096 408 S CA -0.694 57.366 58.200 -0.234 0.000 0.985 408 S CB -0.190 62.835 63.200 -0.291 0.000 1.278 408 S HN 0.357 nan 8.310 nan 0.000 0.528 409 W N 0.405 121.645 121.300 -0.101 0.000 2.388 409 W HA 0.072 4.732 4.660 0.000 0.000 0.294 409 W C 0.908 177.490 176.519 0.105 0.000 1.212 409 W CA -0.249 57.085 57.345 -0.017 0.000 1.271 409 W CB -1.014 28.444 29.460 -0.003 0.000 1.126 409 W HN 0.481 nan 8.180 nan 0.000 0.535 410 W N 6.509 127.349 121.300 -0.766 0.000 2.419 410 W HA 0.099 4.759 4.660 0.000 0.000 0.312 410 W C -1.611 174.706 176.519 -0.337 0.000 1.323 410 W CA -1.872 55.103 57.345 -0.616 0.000 1.293 410 W CB 0.888 29.704 29.460 -1.073 0.000 1.324 410 W HN -0.210 nan 8.180 nan 0.000 0.512 411 P HA -0.008 nan 4.420 nan 0.000 0.257 411 P C 0.237 177.167 177.300 -0.615 0.000 1.281 411 P CA 0.490 63.293 63.100 -0.496 0.000 0.826 411 P CB 0.299 31.796 31.700 -0.338 0.000 1.237 412 M N -0.231 118.747 119.600 -1.035 0.000 2.444 412 M HA 0.246 4.726 4.480 -0.000 0.000 0.319 412 M C 0.563 176.656 176.300 -0.345 0.000 1.183 412 M CA -0.502 54.386 55.300 -0.687 0.000 1.032 412 M CB -0.002 32.134 32.600 -0.774 0.000 1.569 412 M HN -0.310 nan 8.290 nan 0.000 0.468 413 T N 3.553 117.986 114.554 -0.202 0.000 2.822 413 T HA 0.098 4.448 4.350 -0.000 0.000 0.288 413 T C 0.252 174.853 174.700 -0.165 0.000 0.991 413 T CA 0.280 62.304 62.100 -0.126 0.000 1.176 413 T CB -0.170 68.589 68.868 -0.182 0.000 0.951 413 T HN 0.320 nan 8.240 nan 0.000 0.526 414 M N 4.959 124.464 119.600 -0.159 0.000 2.072 414 M HA 0.423 4.903 4.480 -0.000 0.000 0.331 414 M C -0.685 175.408 176.300 -0.344 0.000 1.004 414 M CA -0.348 54.772 55.300 -0.299 0.000 0.952 414 M CB 0.757 33.203 32.600 -0.258 0.000 1.511 414 M HN 0.451 nan 8.290 nan 0.000 0.422 415 L N 4.290 125.255 121.223 -0.431 0.000 2.365 415 L HA 0.644 4.984 4.340 -0.000 0.000 0.273 415 L C -1.411 175.295 176.870 -0.273 0.000 1.000 415 L CA -0.824 53.900 54.840 -0.194 0.000 0.819 415 L CB 1.940 43.927 42.059 -0.119 0.000 1.284 415 L HN 0.499 nan 8.230 nan 0.000 0.418 416 Y N 0.610 120.960 120.300 0.083 0.000 2.524 416 Y HA 0.405 4.955 4.550 -0.000 0.000 0.347 416 Y C -0.267 175.500 175.900 -0.222 0.000 1.005 416 Y CA -1.105 56.986 58.100 -0.015 0.000 1.025 416 Y CB 1.872 40.267 38.460 -0.109 0.000 1.275 416 Y HN 0.385 nan 8.280 nan 0.000 0.460 417 K N 2.153 122.385 120.400 -0.281 0.000 2.276 417 K HA 0.603 4.923 4.320 -0.000 0.000 0.285 417 K C -1.438 174.961 176.600 -0.335 0.000 1.062 417 K CA -0.372 55.426 56.287 -0.814 0.000 0.918 417 K CB 0.622 32.724 32.500 -0.663 0.000 1.055 417 K HN 0.578 nan 8.250 nan 0.000 0.477 418 V N 4.075 123.852 119.914 -0.228 0.000 2.407 418 V HA 0.196 4.316 4.120 -0.000 0.000 0.278 418 V C -0.139 175.891 176.094 -0.107 0.000 1.037 418 V CA -0.616 61.636 62.300 -0.079 0.000 0.900 418 V CB 1.513 33.349 31.823 0.023 0.000 0.983 418 V HN 0.813 nan 8.190 nan 0.000 0.459 419 T N 6.787 121.284 114.554 -0.095 0.000 2.756 419 T HA 0.600 4.950 4.350 -0.000 0.000 0.290 419 T C -0.158 174.494 174.700 -0.080 0.000 0.985 419 T CA -0.052 62.004 62.100 -0.074 0.000 0.955 419 T CB 0.432 69.257 68.868 -0.073 0.000 0.930 419 T HN 0.386 nan 8.240 nan 0.000 0.451 420 I N 3.038 123.580 120.570 -0.046 0.000 2.354 420 I HA 0.316 4.486 4.170 -0.000 0.000 0.292 420 I C 0.447 176.581 176.117 0.027 0.000 0.989 420 I CA -0.634 60.622 61.300 -0.073 0.000 1.188 420 I CB 1.624 39.579 38.000 -0.074 0.000 1.342 420 I HN 0.444 nan 8.210 nan 0.000 0.457 421 T N 6.024 120.521 114.554 -0.096 0.000 2.795 421 T HA 0.523 4.873 4.350 -0.000 0.000 0.282 421 T C -0.556 174.067 174.700 -0.128 0.000 0.980 421 T CA -0.248 61.839 62.100 -0.022 0.000 1.012 421 T CB 0.596 69.427 68.868 -0.062 0.000 0.936 421 T HN 0.092 nan 8.240 nan 0.000 0.457 422 F N 1.622 121.510 119.950 -0.103 0.000 2.450 422 F HA 0.509 5.036 4.527 -0.000 0.000 0.332 422 F C 0.876 176.623 175.800 -0.089 0.000 1.093 422 F CA -0.741 57.182 58.000 -0.127 0.000 1.003 422 F CB 1.963 40.891 39.000 -0.120 0.000 1.151 422 F HN 0.345 nan 8.300 nan 0.000 0.474 423 T N 2.650 117.236 114.554 0.054 0.000 2.930 423 T HA 0.269 4.619 4.350 -0.000 0.000 0.313 423 T C -0.393 174.337 174.700 0.050 0.000 1.019 423 T CA -0.917 61.202 62.100 0.032 0.000 1.004 423 T CB 0.114 68.970 68.868 -0.020 0.000 0.987 423 T HN 0.727 nan 8.240 nan 0.000 0.456 424 N N 2.047 120.790 118.700 0.071 0.000 2.815 424 N HA -0.208 4.532 4.740 -0.000 0.000 0.248 424 N C 0.984 176.569 175.510 0.125 0.000 1.110 424 N CA 0.459 53.554 53.050 0.075 0.000 0.699 424 N CB -1.025 37.495 38.487 0.055 0.000 1.040 424 N HN 1.136 nan 8.380 nan 0.000 0.555 425 G N -0.681 108.223 108.800 0.173 0.000 2.162 425 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.260 425 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.260 425 G C -0.218 174.934 174.900 0.420 0.000 0.976 425 G CA 0.719 45.980 45.100 0.268 0.000 0.655 425 G HN 0.498 nan 8.290 nan 0.000 0.533 426 Q N -0.110 119.820 119.800 0.215 0.000 2.353 426 Q HA 0.414 4.754 4.340 -0.000 0.000 0.268 426 Q C -2.861 172.783 176.000 -0.592 0.000 1.045 426 Q CA -2.190 53.526 55.803 -0.145 0.000 0.811 426 Q CB 2.675 31.390 28.738 -0.039 0.000 1.305 426 Q HN 0.066 nan 8.270 nan 0.000 0.447 427 P HA -0.074 nan 4.420 nan 0.000 0.263 427 P C 0.060 176.967 177.300 -0.654 0.000 1.195 427 P CA 0.624 62.953 63.100 -1.285 0.000 0.762 427 P CB 0.657 31.624 31.700 -1.221 0.000 0.799 428 S N 2.638 118.049 115.700 -0.482 0.000 2.554 428 S HA 0.574 5.044 4.470 -0.000 0.000 0.227 428 S C 0.461 174.917 174.600 -0.240 0.000 1.050 428 S CA 0.124 58.155 58.200 -0.282 0.000 0.927 428 S CB 0.332 63.422 63.200 -0.182 0.000 0.859 428 S HN 0.523 nan 8.310 nan 0.000 0.494 429 A N 1.235 123.892 122.820 -0.272 0.000 2.594 429 A HA 0.684 5.004 4.320 -0.000 0.000 0.296 429 A C -1.253 176.181 177.584 -0.251 0.000 1.056 429 A CA -0.975 50.925 52.037 -0.227 0.000 0.693 429 A CB 0.704 19.611 19.000 -0.156 0.000 1.278 429 A HN 0.867 nan 8.150 nan 0.000 0.408 430 I N -1.231 119.180 120.570 -0.267 0.000 2.689 430 I HA 0.896 5.066 4.170 -0.000 0.000 0.299 430 I C -0.413 175.608 176.117 -0.161 0.000 1.059 430 I CA -0.654 60.484 61.300 -0.270 0.000 1.055 430 I CB 2.252 39.966 38.000 -0.476 0.000 1.243 430 I HN 0.530 nan 8.210 nan 0.000 0.425 431 S N 3.481 119.128 115.700 -0.089 0.000 2.521 431 S HA 0.880 5.349 4.470 -0.000 0.000 0.295 431 S C -0.791 173.796 174.600 -0.021 0.000 1.098 431 S CA -0.390 57.780 58.200 -0.051 0.000 0.999 431 S CB 1.660 64.810 63.200 -0.083 0.000 1.034 431 S HN 1.037 nan 8.310 nan 0.000 0.483 432 A N 3.526 126.312 122.820 -0.057 0.000 2.343 432 A HA 0.709 5.029 4.320 -0.000 0.000 0.316 432 A C -0.720 176.778 177.584 -0.142 0.000 1.104 432 A CA -0.628 51.325 52.037 -0.140 0.000 0.768 432 A CB 1.323 20.047 19.000 -0.461 0.000 1.213 432 A HN 0.783 nan 8.150 nan 0.000 0.456 433 Q N 2.706 122.439 119.800 -0.111 0.000 2.341 433 Q HA 0.245 4.585 4.340 -0.000 0.000 0.268 433 Q C -0.728 175.309 176.000 0.061 0.000 1.013 433 Q CA -0.507 55.214 55.803 -0.137 0.000 0.798 433 Q CB 0.895 29.362 28.738 -0.452 0.000 1.253 433 Q HN 0.896 nan 8.270 nan 0.000 0.457 434 N N 2.803 121.586 118.700 0.138 0.000 2.518 434 N HA 0.103 4.843 4.740 -0.000 0.000 0.266 434 N C -0.873 174.767 175.510 0.217 0.000 1.196 434 N CA -0.144 52.926 53.050 0.033 0.000 0.947 434 N CB 0.962 39.468 38.487 0.032 0.000 1.098 434 N HN 0.365 nan 8.380 nan 0.000 0.450 435 V N 5.906 125.860 119.914 0.067 0.000 2.339 435 V HA 0.218 4.338 4.120 -0.000 0.000 0.261 435 V C -1.843 174.225 176.094 -0.043 0.000 1.058 435 V CA -1.394 60.906 62.300 0.001 0.000 0.897 435 V CB 0.658 32.414 31.823 -0.112 0.000 1.052 435 V HN 0.667 nan 8.190 nan 0.000 0.480 436 P HA 0.129 nan 4.420 nan 0.000 0.261 436 P C -0.088 177.233 177.300 0.035 0.000 1.203 436 P CA 0.571 63.686 63.100 0.025 0.000 0.767 436 P CB 0.630 32.352 31.700 0.037 0.000 0.785 437 T N 0.093 114.696 114.554 0.082 0.000 2.812 437 T HA 0.468 4.818 4.350 -0.000 0.000 0.294 437 T C 0.001 174.840 174.700 0.231 0.000 1.159 437 T CA -0.607 61.570 62.100 0.130 0.000 1.008 437 T CB 1.923 70.864 68.868 0.121 0.000 1.289 437 T HN 0.452 nan 8.240 nan 0.000 0.514 438 Q N -0.279 119.631 119.800 0.183 0.000 2.023 438 Q HA 0.352 4.692 4.340 -0.000 0.000 0.221 438 Q C -0.656 175.344 176.000 0.001 0.000 0.806 438 Q CA -0.752 55.160 55.803 0.181 0.000 1.052 438 Q CB 0.622 29.483 28.738 0.205 0.000 1.229 438 Q HN 0.370 nan 8.270 nan 0.000 0.440 439 Q N 0.741 120.556 119.800 0.026 0.000 2.345 439 Q HA 0.498 4.838 4.340 -0.000 0.000 0.268 439 Q C -0.538 175.401 176.000 -0.102 0.000 1.054 439 Q CA -0.719 55.054 55.803 -0.050 0.000 0.835 439 Q CB 2.360 31.087 28.738 -0.019 0.000 1.339 439 Q HN 0.255 nan 8.270 nan 0.000 0.447 440 V N 2.592 122.292 119.914 -0.357 0.000 3.765 440 V HA -0.149 3.971 4.120 -0.000 0.000 0.447 440 V C -2.244 173.633 176.094 -0.362 0.000 0.680 440 V CA -0.012 61.933 62.300 -0.592 0.000 1.894 440 V CB -0.865 30.609 31.823 -0.581 0.000 2.321 440 V HN 0.673 nan 8.190 nan 0.000 0.492 441 P HA 0.592 nan 4.420 nan 0.000 0.280 441 P C -0.912 176.364 177.300 -0.040 0.000 1.272 441 P CA -0.482 62.495 63.100 -0.206 0.000 0.819 441 P CB 1.501 33.096 31.700 -0.175 0.000 1.122 442 R N 0.573 121.041 120.500 -0.052 0.000 2.795 442 R HA 0.531 4.871 4.340 -0.000 0.000 0.275 442 R C -3.008 173.295 176.300 0.005 0.000 0.981 442 R CA -2.557 53.558 56.100 0.025 0.000 0.917 442 R CB 0.847 31.152 30.300 0.008 0.000 1.202 442 R HN 0.262 nan 8.270 nan 0.000 0.469 443 P HA 0.254 nan 4.420 nan 0.000 0.271 443 P C -0.450 176.857 177.300 0.011 0.000 1.216 443 P CA 0.090 63.202 63.100 0.019 0.000 0.771 443 P CB 1.195 32.916 31.700 0.034 0.000 0.864 444 G N 0.781 109.578 108.800 -0.004 0.000 2.733 444 G HA2 0.507 4.467 3.960 -0.000 0.000 0.288 444 G HA3 0.507 4.467 3.960 -0.000 0.000 0.288 444 G C -1.313 173.580 174.900 -0.010 0.000 1.373 444 G CA -0.451 44.642 45.100 -0.011 0.000 0.895 444 G HN 0.477 nan 8.290 nan 0.000 0.479 445 T N -0.962 113.580 114.554 -0.020 0.000 2.928 445 T HA 0.561 4.911 4.350 -0.000 0.000 0.284 445 T C 1.327 176.011 174.700 -0.025 0.000 1.008 445 T CA 1.612 63.698 62.100 -0.023 0.000 1.057 445 T CB 0.482 69.328 68.868 -0.037 0.000 1.018 445 T HN 2.169 nan 8.240 nan 0.000 0.493 446 G N 3.931 112.719 108.800 -0.020 0.000 2.651 446 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.315 446 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.315 446 G C 0.395 175.292 174.900 -0.005 0.000 1.258 446 G CA 0.608 45.699 45.100 -0.014 0.000 1.002 446 G HN 0.769 nan 8.290 nan 0.000 0.551 447 D N 0.603 121.004 120.400 0.001 0.000 2.323 447 D HA 0.202 4.842 4.640 -0.000 0.000 0.239 447 D C 0.889 177.204 176.300 0.024 0.000 1.129 447 D CA 0.887 54.895 54.000 0.013 0.000 0.865 447 D CB -0.337 40.474 40.800 0.018 0.000 0.913 447 D HN 0.413 nan 8.370 nan 0.000 0.517 448 c N 1.245 119.851 118.600 0.009 0.000 2.751 448 c HA 0.248 4.818 4.570 -0.000 0.000 0.248 448 c C 1.312 175.396 174.090 -0.010 0.000 1.710 448 c CA -0.993 55.343 56.329 0.011 0.000 1.676 448 c CB -1.286 41.215 42.510 -0.015 0.000 3.106 448 c HN 0.182 nan 8.230 nan 0.000 0.502 449 S N 1.241 116.936 115.700 -0.008 0.000 2.632 449 S HA 0.615 5.085 4.470 -0.000 0.000 0.267 449 S C 1.391 175.969 174.600 -0.037 0.000 1.193 449 S CA 0.376 58.565 58.200 -0.018 0.000 1.003 449 S CB 0.652 63.845 63.200 -0.011 0.000 1.073 449 S HN 0.548 nan 8.310 nan 0.000 0.553 450 A N 0.355 123.151 122.820 -0.041 0.000 2.125 450 A HA 0.025 4.345 4.320 -0.000 0.000 0.219 450 A C 2.162 179.698 177.584 -0.079 0.000 1.156 450 A CA 1.758 53.753 52.037 -0.069 0.000 0.671 450 A CB -1.643 17.335 19.000 -0.036 0.000 0.794 450 A HN 1.099 nan 8.150 nan 0.000 0.459 451 T N -2.740 111.789 114.554 -0.042 0.000 3.100 451 T HA 0.072 4.422 4.350 -0.000 0.000 0.253 451 T C 0.704 175.404 174.700 -0.001 0.000 1.118 451 T CA 0.213 62.297 62.100 -0.026 0.000 1.058 451 T CB -0.546 68.317 68.868 -0.009 0.000 0.953 451 T HN 0.348 nan 8.240 nan 0.000 0.515 452 N N 1.292 119.999 118.700 0.010 0.000 2.479 452 N HA 0.173 4.913 4.740 -0.000 0.000 0.257 452 N C 0.811 176.414 175.510 0.155 0.000 1.232 452 N CA -0.205 52.892 53.050 0.078 0.000 0.920 452 N CB 0.480 39.026 38.487 0.099 0.000 1.105 452 N HN 0.037 nan 8.380 nan 0.000 0.444 453 R N 1.201 121.855 120.500 0.257 0.000 2.526 453 R HA 0.225 4.565 4.340 -0.000 0.000 0.346 453 R C -0.788 175.762 176.300 0.417 0.000 0.926 453 R CA -0.168 56.206 56.100 0.457 0.000 1.147 453 R CB -0.705 29.795 30.300 0.333 0.000 1.629 453 R HN 0.438 nan 8.270 nan 0.000 0.516 454 C N 2.732 122.174 119.300 0.237 0.000 2.355 454 C HA 0.517 4.977 4.460 -0.000 0.000 0.332 454 C C -2.224 172.613 174.990 -0.254 0.000 1.255 454 C CA -1.761 57.245 59.018 -0.020 0.000 1.792 454 C CB 2.017 29.727 27.740 -0.049 0.000 2.300 454 C HN 0.052 nan 8.230 nan 0.000 0.515 455 P HA 0.421 nan 4.420 nan 0.000 0.267 455 P C 0.194 177.088 177.300 -0.676 0.000 1.200 455 P CA 1.155 63.285 63.100 -1.618 0.000 0.772 455 P CB 0.452 31.277 31.700 -1.459 0.000 0.855 456 G N 0.920 109.411 108.800 -0.515 0.000 2.316 456 G HA2 0.280 4.240 3.960 -0.000 0.000 0.296 456 G HA3 0.280 4.240 3.960 -0.000 0.000 0.296 456 G C -2.021 172.915 174.900 0.060 0.000 1.399 456 G CA -0.786 44.244 45.100 -0.118 0.000 0.833 456 G HN 0.354 nan 8.290 nan 0.000 0.565 457 F N 0.736 120.705 119.950 0.032 0.000 2.438 457 F HA 0.658 5.185 4.527 -0.000 0.000 0.356 457 F C 0.291 176.132 175.800 0.068 0.000 1.099 457 F CA -0.339 57.705 58.000 0.072 0.000 1.185 457 F CB 0.560 39.599 39.000 0.066 0.000 1.115 457 F HN 0.526 nan 8.300 nan 0.000 0.526 458 c N 6.021 124.066 118.600 -0.925 0.000 2.898 458 c HA 0.620 5.190 4.570 -0.000 0.000 0.304 458 c C -0.622 172.966 174.090 -0.837 0.000 1.237 458 c CA -0.992 54.970 56.329 -0.611 0.000 1.529 458 c CB 1.545 43.922 42.510 -0.221 0.000 2.021 458 c HN 0.812 nan 8.230 nan 0.000 0.474 459 L N 2.572 123.532 121.223 -0.437 0.000 2.613 459 L HA 0.542 4.882 4.340 -0.000 0.000 0.275 459 L C -0.201 176.583 176.870 -0.143 0.000 1.453 459 L CA 0.706 55.383 54.840 -0.272 0.000 0.725 459 L CB 0.441 42.386 42.059 -0.190 0.000 1.013 459 L HN 0.874 nan 8.230 nan 0.000 0.520 460 T N -0.709 113.776 114.554 -0.114 0.000 2.889 460 T HA 0.878 5.228 4.350 -0.000 0.000 0.315 460 T C -0.468 174.211 174.700 -0.034 0.000 1.291 460 T CA 0.174 62.243 62.100 -0.052 0.000 1.028 460 T CB 1.648 70.481 68.868 -0.058 0.000 1.235 460 T HN 0.803 nan 8.240 nan 0.000 0.491 461 G N 1.004 109.812 108.800 0.012 0.000 2.350 461 G HA2 0.469 4.429 3.960 -0.000 0.000 0.276 461 G HA3 0.469 4.429 3.960 -0.000 0.000 0.276 461 G C -1.778 173.169 174.900 0.079 0.000 1.313 461 G CA 0.115 45.224 45.100 0.016 0.000 0.903 461 G HN 1.574 nan 8.290 nan 0.000 0.490 462 V N -1.719 118.237 119.914 0.070 0.000 3.178 462 V HA 0.671 4.791 4.120 -0.000 0.000 0.302 462 V C -0.958 175.143 176.094 0.012 0.000 1.262 462 V CA -1.139 61.237 62.300 0.127 0.000 1.030 462 V CB 1.660 33.603 31.823 0.200 0.000 1.074 462 V HN 1.350 nan 8.190 nan 0.000 0.438 463 Y N 1.903 121.989 120.300 -0.357 0.000 2.359 463 Y HA 0.658 5.208 4.550 -0.000 0.000 0.334 463 Y C 0.298 176.103 175.900 -0.157 0.000 1.058 463 Y CA 0.114 57.961 58.100 -0.423 0.000 1.244 463 Y CB 0.947 38.725 38.460 -1.137 0.000 1.187 463 Y HN 1.068 nan 8.280 nan 0.000 0.510 464 A N 5.879 128.482 122.820 -0.362 0.000 2.839 464 A HA 0.295 4.615 4.320 -0.000 0.000 0.303 464 A C -1.115 176.063 177.584 -0.676 0.000 1.181 464 A CA -0.740 51.170 52.037 -0.212 0.000 0.808 464 A CB -0.401 18.634 19.000 0.059 0.000 1.391 464 A HN 0.824 nan 8.150 nan 0.000 0.433 465 D N 1.488 121.215 120.400 -1.123 0.000 2.384 465 D HA 0.685 5.325 4.640 -0.000 0.000 0.244 465 D C 0.276 176.305 176.300 -0.451 0.000 1.251 465 D CA 0.270 53.356 54.000 -1.523 0.000 0.961 465 D CB 0.978 41.203 40.800 -0.958 0.000 1.116 465 D HN 0.888 nan 8.370 nan 0.000 0.484 466 A N -0.796 121.875 122.820 -0.248 0.000 2.515 466 A HA 0.465 4.785 4.320 -0.000 0.000 0.298 466 A C -1.780 175.861 177.584 0.095 0.000 1.059 466 A CA -0.977 51.098 52.037 0.063 0.000 0.698 466 A CB 1.337 20.393 19.000 0.092 0.000 1.289 466 A HN 0.594 nan 8.150 nan 0.000 0.404 467 W N 4.122 125.461 121.300 0.065 0.000 2.429 467 W HA 0.551 5.211 4.660 0.000 0.000 0.314 467 W C -1.737 174.862 176.519 0.133 0.000 1.062 467 W CA -0.749 56.648 57.345 0.087 0.000 1.211 467 W CB 1.199 30.759 29.460 0.167 0.000 1.305 467 W HN 0.593 nan 8.180 nan 0.000 0.476 468 L N 7.482 128.519 121.223 -0.310 0.000 2.325 468 L HA 0.072 4.412 4.340 -0.000 0.000 0.284 468 L C 1.237 178.141 176.870 0.056 0.000 1.089 468 L CA -0.142 54.582 54.840 -0.194 0.000 0.836 468 L CB 0.813 42.525 42.059 -0.579 0.000 1.184 468 L HN 0.465 nan 8.230 nan 0.000 0.444 469 L N 2.128 123.550 121.223 0.333 0.000 2.554 469 L HA 0.098 4.438 4.340 -0.000 0.000 0.226 469 L C 0.656 177.751 176.870 0.376 0.000 1.137 469 L CA 0.614 55.756 54.840 0.502 0.000 0.863 469 L CB -0.043 42.340 42.059 0.539 0.000 0.985 469 L HN 0.584 nan 8.230 nan 0.000 0.451 470 T N -0.912 113.737 114.554 0.158 0.000 2.906 470 T HA 0.229 4.579 4.350 -0.000 0.000 0.295 470 T C -0.619 173.764 174.700 -0.529 0.000 1.061 470 T CA -0.596 61.478 62.100 -0.043 0.000 1.000 470 T CB 2.078 70.925 68.868 -0.034 0.000 1.103 470 T HN -0.138 nan 8.240 nan 0.000 0.486 471 N N 2.454 120.615 118.700 -0.898 0.000 2.430 471 N HA 0.253 4.993 4.740 -0.000 0.000 0.265 471 N C -1.939 173.099 175.510 -0.788 0.000 1.100 471 N CA -1.917 50.163 53.050 -1.615 0.000 0.961 471 N CB 1.583 39.335 38.487 -1.224 0.000 1.075 471 N HN 0.188 nan 8.380 nan 0.000 0.478 472 P HA 0.025 nan 4.420 nan 0.000 0.223 472 P C 0.541 177.573 177.300 -0.447 0.000 1.151 472 P CA 0.898 63.634 63.100 -0.606 0.000 0.787 472 P CB 0.408 31.622 31.700 -0.810 0.000 0.788 473 S N -1.494 114.111 115.700 -0.157 0.000 2.603 473 S HA 0.035 4.505 4.470 -0.000 0.000 0.220 473 S C 1.657 176.247 174.600 -0.016 0.000 0.967 473 S CA 0.459 58.713 58.200 0.091 0.000 0.920 473 S CB -0.560 62.758 63.200 0.198 0.000 0.773 473 S HN 0.115 nan 8.310 nan 0.000 0.529 474 S N 1.793 117.416 115.700 -0.128 0.000 2.562 474 S HA 0.029 4.499 4.470 -0.000 0.000 0.221 474 S C 0.992 175.554 174.600 -0.063 0.000 0.975 474 S CA 0.222 58.366 58.200 -0.093 0.000 0.918 474 S CB 0.006 63.126 63.200 -0.134 0.000 0.772 474 S HN 0.746 nan 8.310 nan 0.000 0.531 475 T N -0.296 114.216 114.554 -0.070 0.000 2.895 475 T HA 0.387 4.737 4.350 -0.000 0.000 0.283 475 T C 1.302 175.998 174.700 -0.006 0.000 1.014 475 T CA -0.276 61.796 62.100 -0.047 0.000 1.037 475 T CB 1.693 70.516 68.868 -0.074 0.000 1.006 475 T HN 0.065 nan 8.240 nan 0.000 0.468 476 S N 1.901 117.603 115.700 0.003 0.000 2.392 476 S HA -0.100 4.370 4.470 -0.000 0.000 0.232 476 S C 0.909 175.533 174.600 0.040 0.000 1.041 476 S CA 0.846 59.058 58.200 0.021 0.000 1.026 476 S CB -0.835 62.373 63.200 0.014 0.000 0.845 476 S HN 0.818 nan 8.310 nan 0.000 0.465 477 T N 2.885 117.460 114.554 0.035 0.000 2.772 477 T HA 0.443 4.793 4.350 -0.000 0.000 0.288 477 T C -0.581 174.166 174.700 0.078 0.000 0.994 477 T CA -0.698 61.441 62.100 0.064 0.000 0.951 477 T CB 0.450 69.343 68.868 0.041 0.000 0.933 477 T HN 0.299 nan 8.240 nan 0.000 0.447 478 F N 3.359 123.303 119.950 -0.009 0.000 2.500 478 F HA 0.244 4.771 4.527 -0.000 0.000 0.409 478 F C 1.456 177.249 175.800 -0.011 0.000 0.982 478 F CA 1.418 59.411 58.000 -0.011 0.000 1.163 478 F CB -0.111 38.887 39.000 -0.004 0.000 0.942 478 F HN 0.902 nan 8.300 nan 0.000 0.535 479 G N 3.524 111.863 108.800 -0.768 0.000 2.187 479 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.261 479 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.261 479 G C 1.191 175.953 174.900 -0.230 0.000 1.000 479 G CA 1.016 45.773 45.100 -0.572 0.000 0.718 479 G HN 1.327 nan 8.290 nan 0.000 0.519 480 S N -1.069 114.544 115.700 -0.145 0.000 2.399 480 S HA 0.009 4.479 4.470 -0.000 0.000 0.231 480 S C 0.886 175.446 174.600 -0.067 0.000 1.022 480 S CA 1.682 59.840 58.200 -0.070 0.000 0.983 480 S CB 0.237 63.412 63.200 -0.041 0.000 0.803 480 S HN 0.757 nan 8.310 nan 0.000 0.480 481 E N 0.481 120.625 120.200 -0.093 0.000 2.731 481 E HA 0.601 4.951 4.350 -0.000 0.000 0.248 481 E C -1.221 175.325 176.600 -0.089 0.000 1.084 481 E CA -0.374 55.983 56.400 -0.071 0.000 0.776 481 E CB 1.163 30.828 29.700 -0.059 0.000 1.404 481 E HN 0.506 nan 8.360 nan 0.000 0.395 482 A N 2.406 125.190 122.820 -0.060 0.000 2.337 482 A HA 0.744 5.064 4.320 -0.000 0.000 0.329 482 A C -0.340 177.289 177.584 0.075 0.000 1.146 482 A CA -0.471 51.544 52.037 -0.036 0.000 0.800 482 A CB 1.682 20.645 19.000 -0.063 0.000 1.220 482 A HN 0.374 nan 8.150 nan 0.000 0.472 483 T N 2.203 116.804 114.554 0.079 0.000 2.824 483 T HA 0.695 5.045 4.350 -0.000 0.000 0.282 483 T C -0.816 174.010 174.700 0.211 0.000 0.993 483 T CA -0.073 62.061 62.100 0.057 0.000 0.967 483 T CB 0.552 69.425 68.868 0.009 0.000 0.960 483 T HN 0.691 nan 8.240 nan 0.000 0.441 484 F N -0.786 119.207 119.950 0.071 0.000 2.643 484 F HA 0.896 5.423 4.527 -0.000 0.000 0.314 484 F C -0.406 175.461 175.800 0.111 0.000 1.096 484 F CA -1.132 56.930 58.000 0.103 0.000 0.953 484 F CB 1.548 40.590 39.000 0.070 0.000 1.345 484 F HN 0.493 nan 8.300 nan 0.000 0.468 485 T N -0.359 114.351 114.554 0.260 0.000 2.903 485 T HA 0.842 5.192 4.350 -0.000 0.000 0.299 485 T C -0.521 174.134 174.700 -0.076 0.000 1.093 485 T CA 0.115 62.171 62.100 -0.073 0.000 1.002 485 T CB 1.450 70.363 68.868 0.075 0.000 1.127 485 T HN 1.688 nan 8.240 nan 0.000 0.488 486 G N 1.546 110.063 108.800 -0.472 0.000 2.364 486 G HA2 0.536 4.496 3.960 -0.000 0.000 0.286 486 G HA3 0.536 4.496 3.960 -0.000 0.000 0.286 486 G C -1.073 173.835 174.900 0.013 0.000 1.241 486 G CA 0.020 45.111 45.100 -0.016 0.000 0.887 486 G HN 1.353 nan 8.290 nan 0.000 0.484 487 S N -1.214 114.713 115.700 0.378 0.000 2.634 487 S HA 0.909 5.379 4.470 -0.000 0.000 0.296 487 S C -0.999 173.980 174.600 0.632 0.000 1.104 487 S CA -0.475 58.002 58.200 0.462 0.000 0.920 487 S CB 2.180 65.564 63.200 0.308 0.000 1.111 487 S HN 2.199 nan 8.310 nan 0.000 0.493 488 Y N -1.019 119.454 120.300 0.288 0.000 2.592 488 Y HA 0.615 5.165 4.550 -0.000 0.000 0.334 488 Y C -2.179 173.787 175.900 0.109 0.000 1.136 488 Y CA -1.672 56.529 58.100 0.168 0.000 1.042 488 Y CB 0.546 39.048 38.460 0.069 0.000 1.325 488 Y HN 0.695 nan 8.280 nan 0.000 0.457 489 L N 3.757 124.955 121.223 -0.042 0.000 2.295 489 L HA 0.285 4.625 4.340 -0.000 0.000 0.288 489 L C 0.047 176.738 176.870 -0.298 0.000 1.079 489 L CA -0.355 54.396 54.840 -0.148 0.000 0.830 489 L CB 0.368 42.439 42.059 0.019 0.000 1.200 489 L HN 0.640 nan 8.230 nan 0.000 0.438 490 N N 2.702 121.080 118.700 -0.536 0.000 2.739 490 N HA 0.160 4.900 4.740 -0.000 0.000 0.266 490 N C -0.668 174.755 175.510 -0.144 0.000 1.168 490 N CA 0.375 53.173 53.050 -0.420 0.000 1.055 490 N CB 0.257 38.444 38.487 -0.501 0.000 1.393 490 N HN 0.625 nan 8.380 nan 0.000 0.514 491 T N -0.289 114.229 114.554 -0.061 0.000 2.733 491 T HA 0.513 4.863 4.350 -0.000 0.000 0.312 491 T C 0.419 175.116 174.700 -0.006 0.000 1.590 491 T CA -0.025 62.058 62.100 -0.029 0.000 1.005 491 T CB 0.656 69.506 68.868 -0.029 0.000 1.528 491 T HN 0.209 nan 8.240 nan 0.000 0.496 492 A N 0.344 123.160 122.820 -0.006 0.000 1.903 492 A HA 0.182 4.502 4.320 -0.000 0.000 0.213 492 A C 1.880 179.462 177.584 -0.003 0.000 1.185 492 A CA 2.152 54.186 52.037 -0.006 0.000 0.628 492 A CB -0.525 18.471 19.000 -0.008 0.000 0.830 492 A HN 1.012 nan 8.150 nan 0.000 0.446 493 T N -4.298 110.257 114.554 0.001 0.000 2.993 493 T HA 0.273 4.623 4.350 -0.000 0.000 0.260 493 T C 0.494 175.203 174.700 0.016 0.000 0.939 493 T CA -0.230 61.873 62.100 0.005 0.000 0.886 493 T CB -0.020 68.849 68.868 0.001 0.000 1.209 493 T HN 0.350 nan 8.240 nan 0.000 0.518 494 Q N 1.144 120.953 119.800 0.015 0.000 2.222 494 Q HA 0.485 4.825 4.340 -0.000 0.000 0.252 494 Q C -0.460 175.563 176.000 0.038 0.000 0.926 494 Q CA -0.705 55.113 55.803 0.026 0.000 0.899 494 Q CB 1.690 30.437 28.738 0.014 0.000 1.250 494 Q HN 0.211 nan 8.270 nan 0.000 0.441 495 R N 2.120 122.659 120.500 0.064 0.000 3.268 495 R HA 0.260 4.600 4.340 -0.000 0.000 0.217 495 R C -0.784 175.561 176.300 0.074 0.000 1.568 495 R CA 0.087 56.242 56.100 0.092 0.000 1.322 495 R CB -0.366 30.020 30.300 0.143 0.000 1.280 495 R HN 0.387 nan 8.270 nan 0.000 0.667 496 I N 0.586 121.177 120.570 0.035 0.000 3.095 496 I HA 0.192 4.362 4.170 -0.000 0.000 0.310 496 I C -0.785 175.315 176.117 -0.029 0.000 1.196 496 I CA -0.662 60.645 61.300 0.012 0.000 0.985 496 I CB 1.937 39.935 38.000 -0.003 0.000 1.250 496 I HN 0.426 nan 8.210 nan 0.000 0.446 497 N N 1.979 120.658 118.700 -0.035 0.000 2.699 497 N HA -0.102 4.638 4.740 -0.000 0.000 0.257 497 N C -2.514 172.932 175.510 -0.106 0.000 1.077 497 N CA 0.133 53.136 53.050 -0.078 0.000 0.702 497 N CB -1.451 36.967 38.487 -0.117 0.000 0.886 497 N HN 0.300 nan 8.380 nan 0.000 0.549 498 P HA 0.054 nan 4.420 nan 0.000 0.264 498 P C -0.429 176.834 177.300 -0.062 0.000 1.193 498 P CA 0.667 63.767 63.100 -0.000 0.000 0.763 498 P CB 0.696 32.469 31.700 0.121 0.000 0.810 499 T N 4.397 118.885 114.554 -0.110 0.000 3.011 499 T HA 0.393 4.743 4.350 -0.000 0.000 0.303 499 T C 0.193 174.958 174.700 0.108 0.000 0.997 499 T CA -0.462 61.594 62.100 -0.073 0.000 1.007 499 T CB 0.787 69.533 68.868 -0.203 0.000 1.017 499 T HN 0.281 nan 8.240 nan 0.000 0.443 500 M N 3.666 123.238 119.600 -0.046 0.000 2.250 500 M HA 0.596 5.076 4.480 -0.000 0.000 0.344 500 M C -0.546 175.764 176.300 0.017 0.000 1.150 500 M CA -0.370 54.822 55.300 -0.180 0.000 1.147 500 M CB 0.621 32.807 32.600 -0.690 0.000 1.498 500 M HN 0.818 nan 8.290 nan 0.000 0.461 501 Y N 0.174 120.462 120.300 -0.019 0.000 2.725 501 Y HA 0.846 5.396 4.550 -0.000 0.000 0.333 501 Y C -1.870 174.030 175.900 0.000 0.000 1.242 501 Y CA -1.600 56.498 58.100 -0.003 0.000 1.059 501 Y CB 1.233 39.708 38.460 0.024 0.000 1.306 501 Y HN 0.560 nan 8.280 nan 0.000 0.454 502 I N 1.789 122.411 120.570 0.087 0.000 2.619 502 I HA 0.844 5.014 4.170 -0.000 0.000 0.292 502 I C -0.779 175.353 176.117 0.026 0.000 1.100 502 I CA -1.063 60.221 61.300 -0.025 0.000 1.043 502 I CB 2.055 40.022 38.000 -0.055 0.000 1.239 502 I HN 0.979 nan 8.210 nan 0.000 0.420 503 A N 4.375 127.055 122.820 -0.233 0.000 2.594 503 A HA 0.826 5.146 4.320 -0.000 0.000 0.291 503 A C -1.403 175.795 177.584 -0.644 0.000 1.105 503 A CA -0.662 51.108 52.037 -0.445 0.000 0.694 503 A CB 1.975 20.629 19.000 -0.577 0.000 1.291 503 A HN 0.773 nan 8.150 nan 0.000 0.410 504 N N -0.532 117.945 118.700 -0.371 0.000 2.906 504 N HA 0.293 5.033 4.740 -0.000 0.000 0.327 504 N C 0.096 175.593 175.510 -0.023 0.000 1.344 504 N CA -0.422 52.522 53.050 -0.176 0.000 0.823 504 N CB -0.220 38.212 38.487 -0.092 0.000 1.351 504 N HN 0.421 nan 8.380 nan 0.000 0.604 505 N N -1.597 117.153 118.700 0.082 0.000 2.192 505 N HA -0.150 4.590 4.740 -0.000 0.000 0.188 505 N C 0.847 176.402 175.510 0.076 0.000 1.013 505 N CA 2.290 55.416 53.050 0.126 0.000 0.863 505 N CB -0.339 38.189 38.487 0.068 0.000 0.990 505 N HN 0.857 nan 8.380 nan 0.000 0.430 506 T N -4.965 109.598 114.554 0.015 0.000 2.958 506 T HA 0.257 4.607 4.350 -0.000 0.000 0.256 506 T C 0.331 175.005 174.700 -0.044 0.000 0.983 506 T CA -0.299 61.799 62.100 -0.002 0.000 0.924 506 T CB 0.572 69.439 68.868 -0.001 0.000 1.136 506 T HN -0.029 nan 8.240 nan 0.000 0.506 507 Q N 0.008 119.762 119.800 -0.076 0.000 2.456 507 Q HA 0.586 4.926 4.340 -0.000 0.000 0.284 507 Q C -1.517 174.390 176.000 -0.155 0.000 1.061 507 Q CA -0.878 54.863 55.803 -0.104 0.000 0.799 507 Q CB 2.848 31.541 28.738 -0.076 0.000 1.445 507 Q HN 0.295 nan 8.270 nan 0.000 0.411 508 I N 3.155 123.630 120.570 -0.158 0.000 2.325 508 I HA 0.150 4.320 4.170 -0.000 0.000 0.291 508 I C 1.051 177.112 176.117 -0.093 0.000 1.019 508 I CA 0.055 61.259 61.300 -0.160 0.000 1.302 508 I CB 0.641 38.539 38.000 -0.170 0.000 1.401 508 I HN 0.649 nan 8.210 nan 0.000 0.485 509 I N 2.020 122.540 120.570 -0.083 0.000 3.956 509 I HA 0.339 4.509 4.170 -0.000 0.000 0.333 509 I C 0.370 176.458 176.117 -0.048 0.000 1.302 509 I CA 0.172 61.431 61.300 -0.068 0.000 1.122 509 I CB 0.501 38.452 38.000 -0.083 0.000 1.013 509 I HN 0.467 nan 8.210 nan 0.000 0.405 510 S N 0.768 116.454 115.700 -0.023 0.000 2.596 510 S HA 0.546 5.016 4.470 -0.000 0.000 0.305 510 S C -0.780 173.837 174.600 0.029 0.000 1.086 510 S CA 0.017 58.208 58.200 -0.015 0.000 0.909 510 S CB 1.160 64.338 63.200 -0.038 0.000 1.106 510 S HN 0.611 nan 8.310 nan 0.000 0.450 511 S N 3.564 119.278 115.700 0.023 0.000 2.565 511 S HA 0.749 5.219 4.470 -0.000 0.000 0.269 511 S C -1.610 172.991 174.600 0.001 0.000 1.153 511 S CA -0.688 57.547 58.200 0.057 0.000 0.835 511 S CB 1.967 65.245 63.200 0.130 0.000 1.122 511 S HN 0.862 nan 8.310 nan 0.000 0.462 512 Q N 1.236 121.024 119.800 -0.021 0.000 2.334 512 Q HA 0.293 4.633 4.340 -0.000 0.000 0.249 512 Q C -1.342 174.616 176.000 -0.070 0.000 0.909 512 Q CA -0.218 55.551 55.803 -0.057 0.000 0.823 512 Q CB 1.861 30.548 28.738 -0.085 0.000 1.353 512 Q HN 0.852 nan 8.270 nan 0.000 0.433 513 Q N 2.976 122.738 119.800 -0.064 0.000 2.373 513 Q HA 0.230 4.570 4.340 -0.000 0.000 0.255 513 Q C -1.368 174.590 176.000 -0.071 0.000 0.980 513 Q CA -0.091 55.667 55.803 -0.076 0.000 0.882 513 Q CB 0.664 29.347 28.738 -0.091 0.000 1.249 513 Q HN 0.560 nan 8.270 nan 0.000 0.438 514 F N 3.291 123.122 119.950 -0.199 0.000 2.436 514 F HA 0.579 5.106 4.527 -0.000 0.000 0.340 514 F C 0.383 176.110 175.800 -0.121 0.000 1.113 514 F CA 0.895 58.764 58.000 -0.218 0.000 1.022 514 F CB 0.904 39.682 39.000 -0.371 0.000 1.128 514 F HN 0.812 nan 8.300 nan 0.000 0.466 515 G N 3.330 111.425 108.800 -1.175 0.000 2.796 515 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.226 515 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.226 515 G C -0.744 173.936 174.900 -0.367 0.000 1.381 515 G CA -0.506 44.111 45.100 -0.804 0.000 0.867 515 G HN 1.372 nan 8.290 nan 0.000 0.552 516 S N -0.727 114.824 115.700 -0.249 0.000 2.652 516 S HA 0.718 5.188 4.470 -0.000 0.000 0.270 516 S C 0.626 175.155 174.600 -0.117 0.000 1.243 516 S CA 0.259 58.365 58.200 -0.158 0.000 0.999 516 S CB 1.657 64.783 63.200 -0.123 0.000 0.973 516 S HN 1.577 nan 8.310 nan 0.000 0.544 517 S N 0.789 116.434 115.700 -0.092 0.000 2.558 517 S HA 0.456 4.926 4.470 -0.000 0.000 0.288 517 S C 1.480 176.045 174.600 -0.059 0.000 1.318 517 S CA 0.571 58.728 58.200 -0.072 0.000 1.056 517 S CB 0.046 63.209 63.200 -0.061 0.000 0.853 517 S HN 1.679 nan 8.310 nan 0.000 0.505 518 G N 1.739 110.510 108.800 -0.048 0.000 2.234 518 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.235 518 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.235 518 G C 0.086 174.968 174.900 -0.030 0.000 0.997 518 G CA 0.151 45.230 45.100 -0.036 0.000 0.623 518 G HN 0.733 nan 8.290 nan 0.000 0.514 519 Q N 2.290 122.069 119.800 -0.036 0.000 2.239 519 Q HA 0.391 4.731 4.340 -0.000 0.000 0.286 519 Q C 0.434 176.443 176.000 0.016 0.000 1.102 519 Q CA 0.570 56.364 55.803 -0.015 0.000 0.936 519 Q CB -0.023 28.705 28.738 -0.017 0.000 1.127 519 Q HN 0.589 nan 8.270 nan 0.000 0.380 520 E N 1.905 122.111 120.200 0.010 0.000 2.366 520 E HA 0.536 4.886 4.350 -0.000 0.000 0.266 520 E C -0.907 175.748 176.600 0.091 0.000 1.051 520 E CA 0.159 56.578 56.400 0.032 0.000 0.884 520 E CB 0.959 30.646 29.700 -0.022 0.000 1.006 520 E HN 0.761 nan 8.360 nan 0.000 0.417 521 A N 0.940 123.860 122.820 0.167 0.000 2.557 521 A HA 0.790 5.110 4.320 -0.000 0.000 0.292 521 A C -1.140 176.639 177.584 0.326 0.000 1.139 521 A CA 0.126 52.321 52.037 0.264 0.000 0.665 521 A CB 1.192 20.323 19.000 0.219 0.000 1.285 521 A HN 0.636 nan 8.150 nan 0.000 0.433 522 A N -1.058 121.964 122.820 0.337 0.000 2.597 522 A HA 0.724 5.043 4.320 -0.000 0.000 0.191 522 A C -0.783 177.059 177.584 0.429 0.000 1.336 522 A CA -0.154 52.069 52.037 0.311 0.000 1.516 522 A CB -0.411 18.645 19.000 0.094 0.000 1.849 522 A HN 0.971 nan 8.150 nan 0.000 0.640 523 Y N 0.459 120.862 120.300 0.172 0.000 2.426 523 Y HA 0.454 5.004 4.550 -0.000 0.000 0.344 523 Y C 1.009 177.102 175.900 0.320 0.000 1.256 523 Y CA -0.303 57.962 58.100 0.275 0.000 1.451 523 Y CB 0.028 38.628 38.460 0.233 0.000 1.342 523 Y HN 0.650 nan 8.280 nan 0.000 0.600 524 G N 1.691 110.826 108.800 0.559 0.000 2.744 524 G HA2 0.333 4.293 3.960 -0.000 0.000 0.286 524 G HA3 0.333 4.293 3.960 -0.000 0.000 0.286 524 G C -1.672 173.506 174.900 0.464 0.000 1.497 524 G CA -0.615 44.759 45.100 0.457 0.000 1.070 524 G HN 0.701 nan 8.290 nan 0.000 0.539 525 H N 1.804 121.070 119.070 0.326 0.000 2.511 525 H HA 0.444 5.000 4.556 0.000 0.000 0.328 525 H C -0.472 174.983 175.328 0.211 0.000 1.044 525 H CA -0.286 55.959 56.048 0.328 0.000 1.212 525 H CB 2.136 32.078 29.762 0.300 0.000 1.428 525 H HN 0.355 nan 8.280 nan 0.000 0.483 526 T N 2.996 117.721 114.554 0.285 0.000 2.823 526 T HA 0.361 4.711 4.350 -0.000 0.000 0.279 526 T C -0.001 174.819 174.700 0.201 0.000 0.998 526 T CA -0.502 61.651 62.100 0.089 0.000 0.994 526 T CB 1.586 70.466 68.868 0.020 0.000 0.960 526 T HN 0.515 nan 8.240 nan 0.000 0.448 527 T N 1.884 116.404 114.554 -0.057 0.000 3.032 527 T HA 0.499 4.849 4.350 -0.000 0.000 0.312 527 T C -0.774 173.601 174.700 -0.542 0.000 1.078 527 T CA -0.513 61.502 62.100 -0.142 0.000 1.028 527 T CB 0.735 69.745 68.868 0.237 0.000 1.091 527 T HN 0.723 nan 8.240 nan 0.000 0.457 528 c N 3.332 121.129 118.600 -1.338 0.000 2.561 528 c HA 0.989 5.559 4.570 -0.000 0.000 0.319 528 c C -0.785 173.055 174.090 -0.416 0.000 1.198 528 c CA -1.034 54.751 56.329 -0.908 0.000 1.665 528 c CB 0.080 42.015 42.510 -0.958 0.000 2.258 528 c HN 0.948 nan 8.230 nan 0.000 0.493 529 F N -0.481 119.258 119.950 -0.352 0.000 2.686 529 F HA 0.781 5.308 4.527 -0.000 0.000 0.311 529 F C -0.842 174.707 175.800 -0.418 0.000 1.128 529 F CA -1.224 56.615 58.000 -0.269 0.000 0.946 529 F CB 1.171 40.132 39.000 -0.066 0.000 1.336 529 F HN 0.611 nan 8.300 nan 0.000 0.457 530 R N 1.204 121.561 120.500 -0.238 0.000 2.637 530 R HA 0.335 4.675 4.340 -0.000 0.000 0.291 530 R C -1.587 174.870 176.300 0.261 0.000 0.963 530 R CA -0.588 55.410 56.100 -0.170 0.000 0.901 530 R CB 1.611 31.697 30.300 -0.357 0.000 1.160 530 R HN 0.851 nan 8.270 nan 0.000 0.457 531 D N 2.946 123.529 120.400 0.305 0.000 2.365 531 D HA 0.009 4.649 4.640 -0.000 0.000 0.237 531 D C 0.680 177.052 176.300 0.120 0.000 1.190 531 D CA -0.046 54.142 54.000 0.313 0.000 0.867 531 D CB 1.506 42.553 40.800 0.411 0.000 1.050 531 D HN 0.674 nan 8.370 nan 0.000 0.491 532 T N 0.250 114.843 114.554 0.065 0.000 3.163 532 T HA 0.090 4.440 4.350 -0.000 0.000 0.260 532 T C 1.535 176.244 174.700 0.016 0.000 1.156 532 T CA 0.401 62.528 62.100 0.044 0.000 1.072 532 T CB 0.265 69.162 68.868 0.048 0.000 0.937 532 T HN 0.309 nan 8.240 nan 0.000 0.528 533 G N 1.911 110.708 108.800 -0.005 0.000 2.497 533 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.210 533 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.210 533 G C 1.765 176.681 174.900 0.027 0.000 1.177 533 G CA 0.529 45.624 45.100 -0.008 0.000 0.822 533 G HN 0.638 nan 8.290 nan 0.000 0.550 534 S N -0.442 115.293 115.700 0.057 0.000 2.528 534 S HA 0.204 4.674 4.470 -0.000 0.000 0.219 534 S C 0.965 175.607 174.600 0.069 0.000 0.985 534 S CA 0.620 58.866 58.200 0.077 0.000 0.914 534 S CB 0.347 63.623 63.200 0.127 0.000 0.776 534 S HN 0.824 nan 8.310 nan 0.000 0.526 535 V N 1.888 121.841 119.914 0.065 0.000 5.658 535 V HA -0.207 3.913 4.120 -0.000 0.000 0.312 535 V C -0.215 175.897 176.094 0.030 0.000 0.480 535 V CA 1.599 63.928 62.300 0.048 0.000 0.684 535 V CB -2.626 29.226 31.823 0.049 0.000 0.426 535 V HN 0.856 nan 8.190 nan 0.000 1.241 536 M N -1.945 117.665 119.600 0.016 0.000 2.530 536 M HA 0.882 5.362 4.480 -0.000 0.000 0.307 536 M C -0.710 175.460 176.300 -0.217 0.000 1.161 536 M CA -0.964 54.280 55.300 -0.092 0.000 0.903 536 M CB 2.360 34.860 32.600 -0.167 0.000 1.711 536 M HN -0.134 nan 8.290 nan 0.000 0.451 537 V N 2.400 122.142 119.914 -0.287 0.000 2.439 537 V HA 0.406 4.526 4.120 -0.000 0.000 0.282 537 V C -1.085 174.669 176.094 -0.566 0.000 1.039 537 V CA -0.233 61.825 62.300 -0.404 0.000 0.913 537 V CB 0.740 32.411 31.823 -0.253 0.000 0.983 537 V HN 0.682 nan 8.190 nan 0.000 0.460 538 Y N 2.220 122.167 120.300 -0.587 0.000 2.468 538 Y HA 0.648 5.198 4.550 -0.000 0.000 0.342 538 Y C 0.190 175.668 175.900 -0.704 0.000 1.021 538 Y CA -0.522 57.222 58.100 -0.593 0.000 1.079 538 Y CB 2.002 40.023 38.460 -0.732 0.000 1.226 538 Y HN 0.569 nan 8.280 nan 0.000 0.460 539 c N 3.727 122.179 118.600 -0.246 0.000 2.626 539 c HA 0.593 5.163 4.570 -0.000 0.000 0.310 539 c C -0.415 173.510 174.090 -0.274 0.000 1.191 539 c CA -1.173 54.933 56.329 -0.371 0.000 1.517 539 c CB 1.126 43.361 42.510 -0.458 0.000 2.102 539 c HN 0.805 nan 8.230 nan 0.000 0.479 540 I N 2.559 122.930 120.570 -0.331 0.000 2.378 540 I HA 0.494 4.664 4.170 -0.000 0.000 0.291 540 I C -1.524 174.375 176.117 -0.363 0.000 0.992 540 I CA -0.346 60.819 61.300 -0.226 0.000 1.154 540 I CB 0.727 38.572 38.000 -0.259 0.000 1.315 540 I HN 0.697 nan 8.210 nan 0.000 0.448 541 Y N 7.567 127.861 120.300 -0.010 0.000 2.478 541 Y HA 0.439 4.989 4.550 -0.000 0.000 0.329 541 Y C 0.057 175.991 175.900 0.057 0.000 0.967 541 Y CA -0.726 57.411 58.100 0.062 0.000 1.255 541 Y CB 0.800 39.312 38.460 0.086 0.000 1.103 541 Y HN 0.369 nan 8.280 nan 0.000 0.497 542 I N 5.737 126.374 120.570 0.112 0.000 2.308 542 I HA 0.221 4.391 4.170 -0.000 0.000 0.293 542 I C -0.309 175.911 176.117 0.172 0.000 1.078 542 I CA 0.157 61.468 61.300 0.019 0.000 1.292 542 I CB 0.117 38.092 38.000 -0.041 0.000 1.423 542 I HN 0.472 nan 8.210 nan 0.000 0.493 543 I N 6.253 126.911 120.570 0.145 0.000 2.433 543 I HA 0.246 4.416 4.170 -0.000 0.000 0.292 543 I C 0.082 176.291 176.117 0.153 0.000 1.001 543 I CA -0.718 60.716 61.300 0.224 0.000 1.119 543 I CB 1.719 39.912 38.000 0.321 0.000 1.289 543 I HN 0.485 nan 8.210 nan 0.000 0.438 544 E N 6.782 127.098 120.200 0.193 0.000 2.104 544 E HA 0.310 4.660 4.350 -0.000 0.000 0.278 544 E C -0.954 175.846 176.600 0.333 0.000 1.127 544 E CA -0.145 56.367 56.400 0.186 0.000 0.897 544 E CB 0.767 30.493 29.700 0.042 0.000 1.043 544 E HN 0.378 nan 8.360 nan 0.000 0.410 545 L N 2.269 123.657 121.223 0.275 0.000 2.309 545 L HA 0.225 4.565 4.340 -0.000 0.000 0.282 545 L C 0.480 177.415 176.870 0.109 0.000 1.036 545 L CA -0.637 54.340 54.840 0.228 0.000 0.806 545 L CB 1.796 43.965 42.059 0.183 0.000 1.220 545 L HN 0.381 nan 8.230 nan 0.000 0.429 546 S N 1.920 117.584 115.700 -0.060 0.000 2.510 546 S HA 0.268 4.738 4.470 -0.000 0.000 0.279 546 S C 0.020 174.514 174.600 -0.176 0.000 1.284 546 S CA -0.692 57.282 58.200 -0.377 0.000 1.059 546 S CB 0.303 63.294 63.200 -0.348 0.000 0.901 546 S HN 0.648 nan 8.310 nan 0.000 0.491 547 S N 3.397 118.983 115.700 -0.192 0.000 2.578 547 S HA 0.536 5.006 4.470 -0.000 0.000 0.301 547 S C 0.727 175.267 174.600 -0.099 0.000 1.091 547 S CA -0.232 57.913 58.200 -0.093 0.000 1.032 547 S CB 1.673 64.837 63.200 -0.059 0.000 1.064 547 S HN 0.827 nan 8.310 nan 0.000 0.508 548 S N 1.126 116.790 115.700 -0.061 0.000 2.511 548 S HA 0.163 4.633 4.470 -0.000 0.000 0.214 548 S C 1.022 175.598 174.600 -0.041 0.000 0.997 548 S CA -0.233 57.934 58.200 -0.054 0.000 0.908 548 S CB -0.369 62.806 63.200 -0.043 0.000 0.803 548 S HN 0.519 nan 8.310 nan 0.000 0.504 549 L N 0.838 122.040 121.223 -0.035 0.000 2.370 549 L HA 0.509 4.849 4.340 -0.000 0.000 0.191 549 L C -0.043 176.810 176.870 -0.029 0.000 1.203 549 L CA 1.017 55.840 54.840 -0.027 0.000 0.825 549 L CB -0.223 41.823 42.059 -0.021 0.000 1.048 549 L HN 0.253 nan 8.230 nan 0.000 0.487 550 L N 0.612 121.817 121.223 -0.031 0.000 2.313 550 L HA 0.562 4.902 4.340 -0.000 0.000 0.283 550 L C 0.203 177.054 176.870 -0.032 0.000 1.013 550 L CA 0.216 55.038 54.840 -0.030 0.000 0.816 550 L CB -0.040 42.001 42.059 -0.031 0.000 1.236 550 L HN 0.547 nan 8.230 nan 0.000 0.419 551 G N 3.479 112.264 108.800 -0.025 0.000 2.856 551 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.674 551 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.674 551 G C 0.515 175.395 174.900 -0.033 0.000 1.519 551 G CA -0.349 44.742 45.100 -0.014 0.000 0.940 551 G HN 0.619 nan 8.290 nan 0.000 0.564 552 Q N -0.731 119.069 119.800 0.000 0.000 2.079 552 Q HA 0.085 4.425 4.340 -0.000 0.000 0.200 552 Q C 0.797 176.623 176.000 -0.290 0.000 0.974 552 Q CA 1.521 57.276 55.803 -0.079 0.000 0.840 552 Q CB 0.151 28.960 28.738 0.119 0.000 0.898 552 Q HN 0.505 nan 8.270 nan 0.000 0.430 553 F N -0.712 119.206 119.950 -0.053 0.000 2.603 553 F HA 0.394 4.921 4.527 -0.000 0.000 0.317 553 F C -0.076 175.672 175.800 -0.086 0.000 1.066 553 F CA -0.963 57.002 58.000 -0.060 0.000 0.941 553 F CB 1.794 40.749 39.000 -0.075 0.000 1.291 553 F HN -0.261 nan 8.300 nan 0.000 0.472 554 Q N 2.572 122.437 119.800 0.108 0.000 2.320 554 Q HA 0.509 4.849 4.340 -0.000 0.000 0.268 554 Q C -1.425 174.555 176.000 -0.032 0.000 1.023 554 Q CA -0.384 55.413 55.803 -0.010 0.000 0.744 554 Q CB 1.319 30.028 28.738 -0.048 0.000 1.246 554 Q HN 0.661 nan 8.270 nan 0.000 0.462 555 I N 4.244 124.763 120.570 -0.085 0.000 2.379 555 I HA 0.169 4.339 4.170 -0.000 0.000 0.290 555 I C -0.441 175.514 176.117 -0.269 0.000 1.063 555 I CA -0.406 60.825 61.300 -0.114 0.000 1.351 555 I CB 0.923 38.885 38.000 -0.063 0.000 1.410 555 I HN 0.304 nan 8.210 nan 0.000 0.505 556 V N 9.188 128.890 119.914 -0.353 0.000 2.459 556 V HA 0.333 4.453 4.120 -0.000 0.000 0.295 556 V C -2.072 173.610 176.094 -0.687 0.000 1.029 556 V CA -1.516 60.400 62.300 -0.639 0.000 0.874 556 V CB 1.782 32.999 31.823 -1.010 0.000 0.985 556 V HN 0.586 nan 8.190 nan 0.000 0.438 557 P HA 0.294 nan 4.420 nan 0.000 0.226 557 P C -0.566 176.473 177.300 -0.435 0.000 1.832 557 P CA -0.398 62.333 63.100 -0.616 0.000 1.092 557 P CB -0.089 31.067 31.700 -0.906 0.000 1.873 558 F N 2.760 122.589 119.950 -0.202 0.000 2.563 558 F HA 0.198 4.725 4.527 -0.000 0.000 0.363 558 F C 1.300 177.084 175.800 -0.028 0.000 1.123 558 F CA 0.272 58.190 58.000 -0.137 0.000 1.307 558 F CB 0.504 39.420 39.000 -0.140 0.000 1.115 558 F HN 0.199 nan 8.300 nan 0.000 0.592 559 I N 4.408 125.079 120.570 0.169 0.000 2.619 559 I HA 0.626 4.796 4.170 -0.000 0.000 0.292 559 I C -1.009 175.179 176.117 0.117 0.000 1.100 559 I CA -0.639 60.743 61.300 0.137 0.000 1.043 559 I CB 1.591 39.630 38.000 0.064 0.000 1.239 559 I HN 0.838 nan 8.210 nan 0.000 0.420 560 R N 5.023 125.628 120.500 0.175 0.000 2.733 560 R HA 0.411 4.751 4.340 -0.000 0.000 0.272 560 R C -1.847 174.505 176.300 0.087 0.000 1.029 560 R CA -0.954 55.209 56.100 0.104 0.000 0.888 560 R CB 1.307 31.631 30.300 0.040 0.000 1.251 560 R HN 0.622 nan 8.270 nan 0.000 0.464 561 Q N 1.183 120.959 119.800 -0.040 0.000 2.227 561 Q HA 0.431 4.771 4.340 -0.000 0.000 0.245 561 Q C -1.242 174.681 176.000 -0.127 0.000 0.926 561 Q CA -0.863 54.795 55.803 -0.242 0.000 0.895 561 Q CB 1.953 30.470 28.738 -0.368 0.000 1.230 561 Q HN 0.455 nan 8.270 nan 0.000 0.450 562 V N 3.784 123.621 119.914 -0.129 0.000 2.294 562 V HA 0.221 4.341 4.120 -0.000 0.000 0.272 562 V C -0.471 175.593 176.094 -0.049 0.000 1.027 562 V CA -0.481 61.797 62.300 -0.037 0.000 0.823 562 V CB 1.081 32.946 31.823 0.070 0.000 1.030 562 V HN 0.870 nan 8.190 nan 0.000 0.457 563 T N 6.165 120.668 114.554 -0.086 0.000 2.869 563 T HA 0.369 4.719 4.350 -0.000 0.000 0.295 563 T C -0.051 174.564 174.700 -0.141 0.000 0.987 563 T CA -0.156 61.894 62.100 -0.084 0.000 1.109 563 T CB 1.128 69.954 68.868 -0.070 0.000 0.932 563 T HN 0.412 nan 8.240 nan 0.000 0.518 564 L N 3.572 124.727 121.223 -0.113 0.000 2.268 564 L HA 0.569 4.909 4.340 -0.000 0.000 0.289 564 L C 0.130 176.945 176.870 -0.092 0.000 1.064 564 L CA 0.326 55.062 54.840 -0.172 0.000 0.824 564 L CB 0.201 42.216 42.059 -0.073 0.000 1.202 564 L HN 0.847 nan 8.230 nan 0.000 0.433 565 S N 0.000 115.637 115.700 -0.105 0.000 2.498 565 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 565 S CA 0.000 58.160 58.200 -0.067 0.000 1.107 565 S CB 0.000 63.175 63.200 -0.042 0.000 0.593 565 S HN 0.000 nan 8.310 nan 0.000 0.517