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 1z50_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 -0.101 0.000 1.063 118 I CA 0.000 61.207 61.300 -0.154 0.000 1.566 118 I CB 0.000 37.940 38.000 -0.100 0.000 1.214 119 N N 3.707 122.369 118.700 -0.065 0.000 2.381 119 N HA 0.044 4.784 4.740 -0.000 0.000 0.241 119 N C -0.863 174.658 175.510 0.018 0.000 1.279 119 N CA 0.196 53.236 53.050 -0.017 0.000 0.896 119 N CB 0.368 38.863 38.487 0.013 0.000 1.118 119 N HN 0.610 nan 8.380 nan 0.000 0.438 120 D N -0.288 120.156 120.400 0.073 0.000 2.400 120 D HA 0.016 4.656 4.640 -0.000 0.000 0.238 120 D C 0.953 177.215 176.300 -0.064 0.000 1.157 120 D CA -0.200 53.799 54.000 -0.000 0.000 0.889 120 D CB 0.552 41.344 40.800 -0.014 0.000 1.199 120 D HN 0.250 nan 8.370 nan 0.000 0.436 121 N N 1.487 120.134 118.700 -0.088 0.000 2.430 121 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 121 N C 1.073 176.494 175.510 -0.148 0.000 1.032 121 N CA 0.535 53.536 53.050 -0.082 0.000 0.893 121 N CB 0.028 38.478 38.487 -0.062 0.000 0.957 121 N HN 0.395 nan 8.380 nan 0.000 0.442 122 R N -0.578 119.722 120.500 -0.333 0.000 2.276 122 R HA -0.004 4.336 4.340 -0.000 0.000 0.203 122 R C 0.495 176.463 176.300 -0.555 0.000 1.017 122 R CA 0.685 56.473 56.100 -0.519 0.000 1.010 122 R CB 0.137 29.954 30.300 -0.804 0.000 0.900 122 R HN 0.394 nan 8.270 nan 0.000 0.469 123 Y N -0.994 119.324 120.300 0.031 0.000 2.441 123 Y HA 0.134 4.684 4.550 -0.000 0.000 0.266 123 Y C 1.862 177.784 175.900 0.037 0.000 1.093 123 Y CA -0.792 57.334 58.100 0.043 0.000 1.246 123 Y CB -0.383 38.047 38.460 -0.050 0.000 1.262 123 Y HN -0.113 nan 8.280 nan 0.000 0.518 124 I N -1.127 119.518 120.570 0.126 0.000 2.502 124 I HA -0.232 3.938 4.170 -0.000 0.000 0.258 124 I C 0.625 176.806 176.117 0.106 0.000 1.172 124 I CA 1.855 63.210 61.300 0.092 0.000 1.430 124 I CB -0.158 37.871 38.000 0.047 0.000 1.086 124 I HN 0.077 nan 8.210 nan 0.000 0.440 125 N N 1.134 119.903 118.700 0.115 0.000 2.234 125 N HA 0.205 4.945 4.740 -0.000 0.000 0.227 125 N C 1.024 176.644 175.510 0.183 0.000 1.151 125 N CA 0.644 53.769 53.050 0.126 0.000 0.865 125 N CB 1.289 39.830 38.487 0.090 0.000 1.066 125 N HN 0.544 nan 8.380 nan 0.000 0.515 126 G N 0.068 109.013 108.800 0.241 0.000 4.100 126 G HA2 0.360 4.320 3.960 -0.000 0.000 0.294 126 G HA3 0.360 4.320 3.960 -0.000 0.000 0.294 126 G C -0.037 175.135 174.900 0.454 0.000 1.040 126 G CA -0.093 45.206 45.100 0.332 0.000 0.829 126 G HN 0.064 nan 8.290 nan 0.000 0.505 127 I N 0.407 121.201 120.570 0.373 0.000 2.493 127 I HA 0.284 4.454 4.170 -0.000 0.000 0.298 127 I C -0.465 175.856 176.117 0.340 0.000 0.998 127 I CA -0.991 60.538 61.300 0.381 0.000 1.137 127 I CB 1.671 39.805 38.000 0.223 0.000 1.310 127 I HN -0.043 nan 8.210 nan 0.000 0.445 128 N N 4.764 123.718 118.700 0.423 0.000 2.671 128 N HA -0.190 4.550 4.740 -0.000 0.000 0.261 128 N C -0.926 174.590 175.510 0.010 0.000 1.053 128 N CA 0.800 53.980 53.050 0.218 0.000 0.732 128 N CB -0.694 37.846 38.487 0.087 0.000 0.887 128 N HN 0.650 nan 8.380 nan 0.000 0.546 129 Q N -0.967 118.780 119.800 -0.089 0.000 2.626 129 Q HA 0.548 4.888 4.340 -0.000 0.000 0.300 129 Q C -0.927 174.657 176.000 -0.694 0.000 0.988 129 Q CA -0.734 54.851 55.803 -0.364 0.000 0.761 129 Q CB 0.990 29.593 28.738 -0.225 0.000 1.494 129 Q HN 0.133 nan 8.270 nan 0.000 0.439 130 F N 1.392 121.154 119.950 -0.314 0.000 2.404 130 F HA 0.253 4.780 4.527 0.000 0.000 0.358 130 F C 0.241 175.817 175.800 -0.374 0.000 1.120 130 F CA -0.230 57.576 58.000 -0.323 0.000 1.144 130 F CB 0.354 39.226 39.000 -0.214 0.000 1.133 130 F HN 0.549 nan 8.300 nan 0.000 0.495 131 Y N 1.519 121.902 120.300 0.138 0.000 2.490 131 Y HA 0.169 4.719 4.550 0.000 0.000 0.285 131 Y C 0.219 175.779 175.900 -0.567 0.000 1.117 131 Y CA 0.047 57.981 58.100 -0.277 0.000 1.262 131 Y CB -0.259 37.891 38.460 -0.516 0.000 1.043 131 Y HN 0.214 nan 8.280 nan 0.000 0.553 132 F N -1.113 118.986 119.950 0.249 0.000 2.593 132 F HA 0.472 4.999 4.527 -0.000 0.000 0.320 132 F C 0.358 176.203 175.800 0.076 0.000 1.060 132 F CA -1.976 56.114 58.000 0.149 0.000 0.940 132 F CB 1.135 40.212 39.000 0.127 0.000 1.268 132 F HN -0.355 nan 8.300 nan 0.000 0.475 133 S N 1.715 117.573 115.700 0.263 0.000 2.632 133 S HA 0.353 4.823 4.470 -0.000 0.000 0.271 133 S C 1.182 175.833 174.600 0.085 0.000 1.260 133 S CA -0.768 57.505 58.200 0.122 0.000 1.010 133 S CB 0.705 63.965 63.200 0.099 0.000 0.965 133 S HN 0.470 nan 8.310 nan 0.000 0.534 134 I N 1.362 121.943 120.570 0.019 0.000 2.185 134 I HA -0.252 3.918 4.170 -0.000 0.000 0.246 134 I C 2.834 178.952 176.117 0.001 0.000 1.088 134 I CA 2.117 63.412 61.300 -0.009 0.000 1.347 134 I CB -2.401 35.580 38.000 -0.032 0.000 1.041 134 I HN 0.877 nan 8.210 nan 0.000 0.415 135 A N 0.559 123.386 122.820 0.012 0.000 1.902 135 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 135 A C 2.245 179.829 177.584 -0.001 0.000 1.181 135 A CA 1.633 53.673 52.037 0.005 0.000 0.623 135 A CB -0.602 18.406 19.000 0.014 0.000 0.818 135 A HN 0.543 nan 8.150 nan 0.000 0.443 136 E N -0.702 119.514 120.200 0.027 0.000 2.152 136 E HA -0.061 4.289 4.350 -0.000 0.000 0.192 136 E C 2.079 178.613 176.600 -0.109 0.000 0.983 136 E CA 0.538 56.932 56.400 -0.010 0.000 0.818 136 E CB -0.361 29.405 29.700 0.109 0.000 0.758 136 E HN 0.608 nan 8.360 nan 0.000 0.467 137 G N 1.586 110.359 108.800 -0.046 0.000 2.462 137 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.220 137 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.220 137 G C 1.534 176.372 174.900 -0.104 0.000 1.121 137 G CA 0.424 45.476 45.100 -0.079 0.000 0.758 137 G HN 0.127 nan 8.290 nan 0.000 0.559 138 R N -0.115 120.337 120.500 -0.079 0.000 2.148 138 R HA 0.020 4.360 4.340 -0.000 0.000 0.227 138 R C 0.651 176.897 176.300 -0.089 0.000 1.103 138 R CA 0.818 56.873 56.100 -0.074 0.000 0.983 138 R CB 0.003 30.272 30.300 -0.052 0.000 0.874 138 R HN 0.181 nan 8.270 nan 0.000 0.451 139 N N 0.540 119.172 118.700 -0.113 0.000 2.458 139 N HA 0.171 4.911 4.740 -0.000 0.000 0.274 139 N C -0.811 174.597 175.510 -0.169 0.000 1.242 139 N CA 0.104 53.084 53.050 -0.117 0.000 0.904 139 N CB 0.662 39.094 38.487 -0.091 0.000 1.206 139 N HN 0.073 nan 8.380 nan 0.000 0.510 140 L N -0.247 120.857 121.223 -0.198 0.000 2.334 140 L HA 0.543 4.883 4.340 -0.000 0.000 0.275 140 L C 0.608 177.386 176.870 -0.154 0.000 1.036 140 L CA -0.308 54.385 54.840 -0.246 0.000 0.807 140 L CB 1.940 43.802 42.059 -0.328 0.000 1.231 140 L HN -0.091 nan 8.230 nan 0.000 0.438 141 T N 2.252 116.723 114.554 -0.138 0.000 2.894 141 T HA 0.528 4.878 4.350 -0.000 0.000 0.309 141 T C -1.024 173.628 174.700 -0.081 0.000 1.208 141 T CA -0.590 61.454 62.100 -0.093 0.000 1.016 141 T CB 1.155 69.975 68.868 -0.080 0.000 1.192 141 T HN 0.347 nan 8.240 nan 0.000 0.491 142 L N 3.641 124.825 121.223 -0.066 0.000 2.313 142 L HA 0.560 4.900 4.340 -0.000 0.000 0.282 142 L C 1.480 178.312 176.870 -0.064 0.000 1.092 142 L CA -0.629 54.173 54.840 -0.064 0.000 0.831 142 L CB 0.607 42.618 42.059 -0.081 0.000 1.159 142 L HN 0.816 nan 8.230 nan 0.000 0.442 143 G N 3.599 112.361 108.800 -0.063 0.000 2.621 143 G HA2 0.433 4.393 3.960 -0.000 0.000 0.271 143 G HA3 0.433 4.393 3.960 -0.000 0.000 0.271 143 G C -2.546 172.322 174.900 -0.052 0.000 1.236 143 G CA -1.027 44.039 45.100 -0.056 0.000 0.958 143 G HN 0.369 nan 8.290 nan 0.000 0.512 144 P HA 0.208 nan 4.420 nan 0.000 0.272 144 P C -0.255 177.018 177.300 -0.045 0.000 1.230 144 P CA -0.375 62.703 63.100 -0.036 0.000 0.788 144 P CB 0.592 32.281 31.700 -0.018 0.000 0.949 145 L N 1.695 122.898 121.223 -0.034 0.000 2.410 145 L HA 0.193 4.533 4.340 -0.000 0.000 0.273 145 L C 0.404 177.238 176.870 -0.060 0.000 1.152 145 L CA -0.070 54.756 54.840 -0.023 0.000 0.855 145 L CB -0.269 41.807 42.059 0.029 0.000 1.129 145 L HN 0.174 nan 8.230 nan 0.000 0.463 146 L N 3.506 124.635 121.223 -0.157 0.000 2.343 146 L HA 0.368 4.708 4.340 -0.000 0.000 0.275 146 L C 0.283 177.020 176.870 -0.222 0.000 1.056 146 L CA -0.414 54.193 54.840 -0.388 0.000 0.804 146 L CB 1.247 42.702 42.059 -1.006 0.000 1.203 146 L HN 0.637 nan 8.230 nan 0.000 0.440 147 N N 4.316 122.960 118.700 -0.094 0.000 2.437 147 N HA 0.460 5.200 4.740 -0.000 0.000 0.259 147 N C -1.119 174.533 175.510 0.237 0.000 0.983 147 N CA -0.391 52.707 53.050 0.080 0.000 0.937 147 N CB 1.120 39.674 38.487 0.111 0.000 1.122 147 N HN 0.632 nan 8.380 nan 0.000 0.499 148 M N 1.718 121.434 119.600 0.193 0.000 2.658 148 M HA 0.646 5.126 4.480 -0.000 0.000 0.295 148 M C -2.873 173.533 176.300 0.178 0.000 1.248 148 M CA -1.833 53.635 55.300 0.280 0.000 0.843 148 M CB 1.625 34.459 32.600 0.390 0.000 1.749 148 M HN 0.104 nan 8.290 nan 0.000 0.464 149 P HA 0.170 nan 4.420 nan 0.000 0.271 149 P C -0.722 176.694 177.300 0.193 0.000 1.233 149 P CA 0.023 63.225 63.100 0.170 0.000 0.764 149 P CB 0.872 32.685 31.700 0.189 0.000 0.825 150 S N 2.680 118.392 115.700 0.020 0.000 2.549 150 S HA 0.102 4.572 4.470 -0.000 0.000 0.286 150 S C 0.662 175.211 174.600 -0.084 0.000 1.314 150 S CA -0.476 57.632 58.200 -0.153 0.000 1.062 150 S CB -0.239 62.787 63.200 -0.290 0.000 0.865 150 S HN 0.410 nan 8.310 nan 0.000 0.498 151 F N 3.550 123.402 119.950 -0.163 0.000 2.664 151 F HA 0.539 5.066 4.527 -0.000 0.000 0.303 151 F C -0.096 175.604 175.800 -0.168 0.000 1.092 151 F CA -0.793 57.154 58.000 -0.088 0.000 1.305 151 F CB -0.110 38.822 39.000 -0.112 0.000 1.054 151 F HN 0.270 nan 8.300 nan 0.000 0.565 152 I N 4.917 125.040 120.570 -0.745 0.000 2.330 152 I HA 0.296 4.466 4.170 -0.000 0.000 0.289 152 I C -2.062 173.865 176.117 -0.315 0.000 1.001 152 I CA -2.292 58.641 61.300 -0.612 0.000 1.193 152 I CB 1.241 38.742 38.000 -0.831 0.000 1.345 152 I HN -0.116 nan 8.210 nan 0.000 0.461 153 P HA 0.065 nan 4.420 nan 0.000 0.268 153 P C -0.284 176.918 177.300 -0.164 0.000 1.205 153 P CA -0.002 62.913 63.100 -0.309 0.000 0.771 153 P CB 0.866 32.152 31.700 -0.691 0.000 0.858 154 T N 1.361 115.826 114.554 -0.147 0.000 2.928 154 T HA 0.509 4.859 4.350 -0.000 0.000 0.284 154 T C 0.245 174.892 174.700 -0.090 0.000 1.008 154 T CA -0.186 61.851 62.100 -0.105 0.000 1.057 154 T CB 0.917 69.729 68.868 -0.094 0.000 1.018 154 T HN 0.522 nan 8.240 nan 0.000 0.493 155 A N 1.256 124.037 122.820 -0.064 0.000 2.366 155 A HA 0.482 4.802 4.320 -0.000 0.000 0.249 155 A C 1.233 178.793 177.584 -0.040 0.000 1.084 155 A CA -0.215 51.794 52.037 -0.045 0.000 0.794 155 A CB 0.050 19.035 19.000 -0.025 0.000 1.034 155 A HN 0.924 nan 8.150 nan 0.000 0.491 156 T N -2.181 112.355 114.554 -0.030 0.000 3.132 156 T HA 0.388 4.738 4.350 -0.000 0.000 0.274 156 T C 0.266 174.958 174.700 -0.014 0.000 1.011 156 T CA 0.455 62.540 62.100 -0.025 0.000 0.899 156 T CB -0.825 68.028 68.868 -0.026 0.000 1.089 156 T HN 1.139 nan 8.240 nan 0.000 0.543 157 T N -1.921 112.628 114.554 -0.009 0.000 2.896 157 T HA 0.572 4.922 4.350 -0.000 0.000 0.297 157 T C -2.656 172.041 174.700 -0.006 0.000 1.108 157 T CA -1.748 60.349 62.100 -0.004 0.000 1.004 157 T CB 2.033 70.904 68.868 0.004 0.000 1.159 157 T HN -0.344 nan 8.240 nan 0.000 0.499 158 P HA -0.049 nan 4.420 nan 0.000 0.218 158 P C 1.265 178.561 177.300 -0.008 0.000 1.149 158 P CA 0.809 63.903 63.100 -0.011 0.000 0.817 158 P CB 0.191 31.885 31.700 -0.011 0.000 0.785 159 E N -0.360 119.841 120.200 0.002 0.000 2.481 159 E HA 0.099 4.449 4.350 -0.000 0.000 0.198 159 E C 0.872 177.485 176.600 0.023 0.000 1.027 159 E CA -0.016 56.390 56.400 0.011 0.000 0.900 159 E CB -0.741 28.967 29.700 0.012 0.000 0.993 159 E HN -0.033 nan 8.360 nan 0.000 0.482 160 G N 1.244 110.055 108.800 0.019 0.000 2.432 160 G HA2 0.170 4.130 3.960 -0.000 0.000 0.239 160 G HA3 0.170 4.130 3.960 -0.000 0.000 0.239 160 G C -0.637 174.286 174.900 0.037 0.000 1.291 160 G CA -0.073 45.042 45.100 0.026 0.000 0.863 160 G HN 0.291 nan 8.290 nan 0.000 0.560 161 c N 3.203 121.828 118.600 0.043 0.000 2.340 161 c HA 0.794 5.364 4.570 -0.000 0.000 0.323 161 c C 0.468 174.548 174.090 -0.018 0.000 1.260 161 c CA -0.420 55.942 56.329 0.055 0.000 1.464 161 c CB 0.041 42.594 42.510 0.073 0.000 2.156 161 c HN 0.937 nan 8.230 nan 0.000 0.476 162 T N 4.470 118.975 114.554 -0.081 0.000 2.791 162 T HA 0.708 5.058 4.350 -0.000 0.000 0.288 162 T C -0.484 174.005 174.700 -0.351 0.000 0.999 162 T CA -0.577 61.339 62.100 -0.307 0.000 0.952 162 T CB 0.768 69.337 68.868 -0.498 0.000 0.938 162 T HN 0.877 nan 8.240 nan 0.000 0.444 163 R N 2.055 122.347 120.500 -0.345 0.000 2.795 163 R HA 0.544 4.884 4.340 -0.000 0.000 0.268 163 R C -0.746 175.410 176.300 -0.239 0.000 1.041 163 R CA -1.262 54.611 56.100 -0.379 0.000 0.927 163 R CB 1.211 31.226 30.300 -0.475 0.000 1.235 163 R HN 0.560 nan 8.270 nan 0.000 0.463 164 I N 0.532 120.945 120.570 -0.262 0.000 7.356 164 I HA -0.148 4.022 4.170 -0.000 0.000 0.126 164 I C -2.314 173.783 176.117 -0.033 0.000 1.829 164 I CA -0.034 61.204 61.300 -0.102 0.000 2.068 164 I CB -2.047 35.928 38.000 -0.042 0.000 3.620 164 I HN 0.512 nan 8.210 nan 0.000 0.179 165 P HA 0.450 nan 4.420 nan 0.000 0.281 165 P C -0.308 176.802 177.300 -0.316 0.000 1.264 165 P CA -0.303 62.722 63.100 -0.126 0.000 0.824 165 P CB 2.398 34.120 31.700 0.037 0.000 1.092 166 S N 0.806 116.357 115.700 -0.248 0.000 2.572 166 S HA 0.662 5.132 4.470 -0.000 0.000 0.274 166 S C -1.914 172.766 174.600 0.134 0.000 1.150 166 S CA -0.511 57.644 58.200 -0.075 0.000 0.944 166 S CB 0.242 63.453 63.200 0.018 0.000 1.071 166 S HN 0.364 nan 8.310 nan 0.000 0.479 167 F N 3.469 123.483 119.950 0.107 0.000 2.557 167 F HA 0.710 5.237 4.527 -0.000 0.000 0.316 167 F C -0.621 175.306 175.800 0.212 0.000 1.141 167 F CA -0.200 57.941 58.000 0.235 0.000 0.922 167 F CB 2.013 41.181 39.000 0.278 0.000 1.194 167 F HN 0.478 nan 8.300 nan 0.000 0.443 168 S N 6.476 121.910 115.700 -0.444 0.000 2.561 168 S HA 0.786 5.256 4.470 -0.000 0.000 0.303 168 S C -1.913 172.360 174.600 -0.546 0.000 1.110 168 S CA -0.525 57.482 58.200 -0.322 0.000 1.034 168 S CB 1.176 64.308 63.200 -0.113 0.000 1.010 168 S HN 0.731 nan 8.310 nan 0.000 0.482 169 L N 4.377 125.414 121.223 -0.309 0.000 2.365 169 L HA 0.823 5.163 4.340 -0.000 0.000 0.273 169 L C -0.188 176.627 176.870 -0.092 0.000 1.000 169 L CA 0.304 55.025 54.840 -0.200 0.000 0.819 169 L CB 2.188 44.231 42.059 -0.027 0.000 1.284 169 L HN 0.717 nan 8.230 nan 0.000 0.418 170 T N 1.947 116.414 114.554 -0.146 0.000 2.812 170 T HA 0.252 4.602 4.350 -0.000 0.000 0.294 170 T C 0.648 175.317 174.700 -0.052 0.000 1.159 170 T CA -0.349 61.701 62.100 -0.083 0.000 1.008 170 T CB 1.820 70.602 68.868 -0.144 0.000 1.289 170 T HN 0.709 nan 8.240 nan 0.000 0.514 171 K N 0.099 120.506 120.400 0.010 0.000 2.077 171 K HA -0.205 4.115 4.320 -0.000 0.000 0.213 171 K C 1.904 178.512 176.600 0.013 0.000 1.051 171 K CA 2.812 59.121 56.287 0.035 0.000 0.929 171 K CB -0.474 32.059 32.500 0.055 0.000 0.715 171 K HN 0.717 nan 8.250 nan 0.000 0.451 172 T N -1.831 112.730 114.554 0.012 0.000 2.976 172 T HA -0.027 4.323 4.350 -0.000 0.000 0.257 172 T C 0.883 175.614 174.700 0.052 0.000 1.051 172 T CA 0.647 62.773 62.100 0.043 0.000 1.141 172 T CB -0.238 68.691 68.868 0.103 0.000 0.881 172 T HN 0.530 nan 8.240 nan 0.000 0.461 173 H N -1.281 117.686 119.070 -0.171 0.000 2.883 173 H HA 0.426 4.982 4.556 -0.000 0.000 0.277 173 H C -1.614 173.611 175.328 -0.173 0.000 1.451 173 H CA -1.568 54.320 56.048 -0.268 0.000 1.157 173 H CB -0.215 29.296 29.762 -0.419 0.000 1.851 173 H HN 0.507 nan 8.280 nan 0.000 0.566 174 W N 0.081 121.227 121.300 -0.257 0.000 2.864 174 W HA 0.686 5.346 4.660 -0.000 0.000 0.343 174 W C -1.705 174.685 176.519 -0.216 0.000 1.109 174 W CA -1.152 55.964 57.345 -0.382 0.000 1.192 174 W CB 1.227 30.493 29.460 -0.323 0.000 1.426 174 W HN 0.515 nan 8.180 nan 0.000 0.529 175 c N 2.529 121.174 118.600 0.075 0.000 2.507 175 c HA 0.702 5.272 4.570 -0.000 0.000 0.319 175 c C -0.967 173.355 174.090 0.387 0.000 1.208 175 c CA -0.291 56.147 56.329 0.181 0.000 1.619 175 c CB 0.935 43.464 42.510 0.032 0.000 2.230 175 c HN 0.631 nan 8.230 nan 0.000 0.492 176 Y N 0.950 121.501 120.300 0.419 0.000 2.534 176 Y HA 0.753 5.303 4.550 -0.000 0.000 0.345 176 Y C -0.246 175.820 175.900 0.276 0.000 1.031 176 Y CA -0.114 58.271 58.100 0.476 0.000 1.022 176 Y CB 2.079 40.997 38.460 0.764 0.000 1.292 176 Y HN 0.708 nan 8.280 nan 0.000 0.459 177 T N 4.927 118.925 114.554 -0.927 0.000 2.886 177 T HA 0.525 4.875 4.350 -0.000 0.000 0.330 177 T C -2.109 172.209 174.700 -0.637 0.000 1.488 177 T CA -0.444 61.285 62.100 -0.619 0.000 1.054 177 T CB 0.828 69.556 68.868 -0.233 0.000 1.348 177 T HN 1.024 nan 8.240 nan 0.000 0.489 178 H N 1.636 120.586 119.070 -0.200 0.000 3.014 178 H HA 0.489 5.045 4.556 -0.000 0.000 0.337 178 H C -1.403 173.945 175.328 0.035 0.000 1.320 178 H CA -1.051 54.944 56.048 -0.090 0.000 1.128 178 H CB 1.185 30.936 29.762 -0.019 0.000 1.862 178 H HN 0.527 nan 8.280 nan 0.000 0.536 179 N N 1.220 120.052 118.700 0.219 0.000 2.518 179 N HA 0.264 5.004 4.740 -0.000 0.000 0.283 179 N C -1.150 174.443 175.510 0.138 0.000 1.119 179 N CA -0.275 52.861 53.050 0.143 0.000 0.983 179 N CB 1.854 40.354 38.487 0.020 0.000 1.139 179 N HN 0.363 nan 8.380 nan 0.000 0.465 180 V N 4.941 124.962 119.914 0.178 0.000 2.483 180 V HA 0.485 4.605 4.120 -0.000 0.000 0.297 180 V C 0.048 176.203 176.094 0.102 0.000 1.027 180 V CA -0.663 61.734 62.300 0.162 0.000 0.855 180 V CB 1.409 33.434 31.823 0.337 0.000 0.995 180 V HN 0.528 nan 8.190 nan 0.000 0.424 181 I N 4.829 125.434 120.570 0.059 0.000 2.433 181 I HA 0.349 4.519 4.170 -0.000 0.000 0.292 181 I C 0.956 177.104 176.117 0.052 0.000 1.001 181 I CA -0.587 60.739 61.300 0.044 0.000 1.119 181 I CB 2.367 40.383 38.000 0.026 0.000 1.289 181 I HN 0.530 nan 8.210 nan 0.000 0.438 182 L N 4.213 125.466 121.223 0.050 0.000 2.056 182 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 182 L C 0.096 176.986 176.870 0.035 0.000 1.078 182 L CA 1.475 56.344 54.840 0.048 0.000 0.749 182 L CB -0.431 41.656 42.059 0.046 0.000 0.901 182 L HN 0.655 nan 8.230 nan 0.000 0.433 183 N N -0.306 118.411 118.700 0.028 0.000 2.491 183 N HA 0.518 5.258 4.740 -0.000 0.000 0.274 183 N C -0.038 175.490 175.510 0.031 0.000 1.023 183 N CA 0.337 53.402 53.050 0.025 0.000 0.902 183 N CB 1.698 40.196 38.487 0.018 0.000 1.267 183 N HN 0.250 nan 8.380 nan 0.000 0.503 184 G N 0.318 109.141 108.800 0.039 0.000 2.796 184 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.226 184 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.226 184 G C 0.185 175.124 174.900 0.065 0.000 1.381 184 G CA -0.373 44.759 45.100 0.054 0.000 0.867 184 G HN 0.658 nan 8.290 nan 0.000 0.552 185 c N 0.185 118.838 118.600 0.087 0.000 2.780 185 c HA 0.523 5.093 4.570 -0.000 0.000 0.287 185 c C 0.679 174.809 174.090 0.067 0.000 1.288 185 c CA 0.157 56.533 56.329 0.079 0.000 1.713 185 c CB -0.833 41.749 42.510 0.121 0.000 1.955 185 c HN 0.672 nan 8.230 nan 0.000 0.613 186 Q N 1.758 121.597 119.800 0.066 0.000 2.325 186 Q HA 0.567 4.907 4.340 -0.000 0.000 0.270 186 Q C -1.260 174.766 176.000 0.043 0.000 1.020 186 Q CA 0.424 56.271 55.803 0.073 0.000 0.785 186 Q CB 0.795 29.587 28.738 0.089 0.000 1.259 186 Q HN 0.371 nan 8.270 nan 0.000 0.452 187 D N 1.769 122.194 120.400 0.042 0.000 2.633 187 D HA 0.033 4.673 4.640 -0.000 0.000 0.198 187 D C -1.088 175.225 176.300 0.021 0.000 1.273 187 D CA -0.170 53.818 54.000 -0.019 0.000 0.830 187 D CB 0.594 41.384 40.800 -0.017 0.000 1.771 187 D HN 0.901 nan 8.370 nan 0.000 0.547 188 H N 1.922 121.009 119.070 0.029 0.000 2.467 188 H HA 0.413 4.969 4.556 0.000 0.000 0.275 188 H C -0.310 175.019 175.328 0.002 0.000 1.131 188 H CA -0.351 55.709 56.048 0.021 0.000 0.989 188 H CB 0.452 30.244 29.762 0.050 0.000 1.696 188 H HN 0.081 nan 8.280 nan 0.000 0.574 189 V N -0.263 119.635 119.914 -0.026 0.000 3.141 189 V HA 0.094 4.214 4.120 -0.000 0.000 0.225 189 V C 0.651 176.729 176.094 -0.027 0.000 1.352 189 V CA 0.588 62.877 62.300 -0.019 0.000 1.316 189 V CB 1.133 32.909 31.823 -0.078 0.000 1.126 189 V HN 0.351 nan 8.190 nan 0.000 0.493 190 S N 0.676 116.353 115.700 -0.038 0.000 2.502 190 S HA 0.741 5.211 4.470 -0.000 0.000 0.304 190 S C -0.677 173.904 174.600 -0.031 0.000 1.097 190 S CA 0.292 58.471 58.200 -0.035 0.000 1.045 190 S CB 1.477 64.660 63.200 -0.028 0.000 1.019 190 S HN 0.792 nan 8.310 nan 0.000 0.481 191 S N 3.385 119.059 115.700 -0.044 0.000 2.586 191 S HA 0.497 4.967 4.470 -0.000 0.000 0.277 191 S C -1.563 172.991 174.600 -0.076 0.000 1.131 191 S CA -1.072 57.106 58.200 -0.036 0.000 0.848 191 S CB 0.562 63.741 63.200 -0.036 0.000 1.091 191 S HN 0.763 nan 8.310 nan 0.000 0.453 192 N N 0.135 118.794 118.700 -0.068 0.000 2.328 192 N HA 0.632 5.372 4.740 -0.000 0.000 0.299 192 N C -1.599 173.873 175.510 -0.064 0.000 1.179 192 N CA -0.741 52.181 53.050 -0.213 0.000 0.793 192 N CB 1.745 39.917 38.487 -0.524 0.000 1.366 192 N HN 0.662 nan 8.380 nan 0.000 0.493 193 Q N 1.605 121.344 119.800 -0.102 0.000 2.327 193 Q HA 0.364 4.704 4.340 -0.000 0.000 0.270 193 Q C -1.885 174.219 176.000 0.173 0.000 1.022 193 Q CA -0.563 55.273 55.803 0.054 0.000 0.773 193 Q CB 0.746 29.462 28.738 -0.036 0.000 1.251 193 Q HN 0.490 nan 8.270 nan 0.000 0.457 194 F N 4.682 124.741 119.950 0.181 0.000 2.420 194 F HA 0.606 5.133 4.527 -0.000 0.000 0.352 194 F C -1.088 174.706 175.800 -0.010 0.000 1.108 194 F CA -0.352 57.744 58.000 0.161 0.000 1.162 194 F CB 0.638 39.632 39.000 -0.011 0.000 1.118 194 F HN 0.357 nan 8.300 nan 0.000 0.510 195 V N 5.137 124.626 119.914 -0.708 0.000 2.680 195 V HA 0.625 4.745 4.120 -0.000 0.000 0.309 195 V C -0.591 175.113 176.094 -0.650 0.000 1.052 195 V CA -0.638 61.371 62.300 -0.484 0.000 0.908 195 V CB 1.757 33.436 31.823 -0.241 0.000 1.001 195 V HN 0.824 nan 8.190 nan 0.000 0.431 196 S N 4.672 120.272 115.700 -0.167 0.000 2.564 196 S HA 0.926 5.396 4.470 -0.000 0.000 0.274 196 S C -1.028 173.667 174.600 0.157 0.000 1.124 196 S CA -0.672 57.578 58.200 0.084 0.000 0.869 196 S CB 1.654 65.196 63.200 0.571 0.000 1.105 196 S HN 0.888 nan 8.310 nan 0.000 0.472 197 M N 2.201 121.727 119.600 -0.125 0.000 2.465 197 M HA 0.879 5.359 4.480 -0.000 0.000 0.284 197 M C -0.361 175.302 176.300 -1.063 0.000 1.212 197 M CA -0.599 54.349 55.300 -0.586 0.000 0.910 197 M CB 1.388 33.836 32.600 -0.255 0.000 1.725 197 M HN 0.872 nan 8.290 nan 0.000 0.477 198 G N 1.742 109.405 108.800 -1.896 0.000 2.435 198 G HA2 0.659 4.619 3.960 -0.000 0.000 0.296 198 G HA3 0.659 4.619 3.960 -0.000 0.000 0.296 198 G C -1.866 172.258 174.900 -1.292 0.000 1.240 198 G CA -0.428 43.850 45.100 -1.371 0.000 0.872 198 G HN 1.299 nan 8.290 nan 0.000 0.480 199 I N -2.214 118.021 120.570 -0.559 0.000 3.239 199 I HA 0.821 4.991 4.170 -0.000 0.000 0.314 199 I C -1.049 174.998 176.117 -0.115 0.000 1.126 199 I CA -1.599 59.549 61.300 -0.254 0.000 0.973 199 I CB 2.327 40.199 38.000 -0.213 0.000 1.252 199 I HN 0.424 nan 8.210 nan 0.000 0.463 200 I N 1.854 122.259 120.570 -0.275 0.000 2.377 200 I HA 0.469 4.639 4.170 -0.000 0.000 0.293 200 I C -0.696 175.348 176.117 -0.123 0.000 0.987 200 I CA -0.287 60.662 61.300 -0.584 0.000 1.185 200 I CB 1.696 38.994 38.000 -1.169 0.000 1.341 200 I HN 0.752 nan 8.210 nan 0.000 0.455 201 E N 7.233 127.424 120.200 -0.014 0.000 2.331 201 E HA 0.519 4.869 4.350 -0.000 0.000 0.275 201 E C -2.968 173.816 176.600 0.308 0.000 0.895 201 E CA -2.198 54.351 56.400 0.248 0.000 0.753 201 E CB 2.473 32.267 29.700 0.155 0.000 1.216 201 E HN 0.172 nan 8.360 nan 0.000 0.434 202 P HA -0.002 nan 4.420 nan 0.000 0.271 202 P C -0.153 177.197 177.300 0.084 0.000 1.218 202 P CA 0.044 63.253 63.100 0.182 0.000 0.780 202 P CB 1.083 32.825 31.700 0.069 0.000 0.901 203 T N -2.198 112.345 114.554 -0.018 0.000 2.936 203 T HA 0.242 4.592 4.350 -0.000 0.000 0.282 203 T C 1.491 176.096 174.700 -0.159 0.000 1.003 203 T CA -0.209 61.815 62.100 -0.126 0.000 1.005 203 T CB 0.374 69.068 68.868 -0.291 0.000 1.097 203 T HN 0.374 nan 8.240 nan 0.000 0.532 204 S N -0.158 115.449 115.700 -0.156 0.000 2.500 204 S HA 0.012 4.482 4.470 -0.000 0.000 0.239 204 S C 1.982 176.499 174.600 -0.139 0.000 0.989 204 S CA 0.372 58.503 58.200 -0.115 0.000 0.951 204 S CB -0.881 62.267 63.200 -0.087 0.000 0.759 204 S HN 1.006 nan 8.310 nan 0.000 0.523 205 A N 0.570 123.226 122.820 -0.274 0.000 2.218 205 A HA 0.581 4.901 4.320 -0.000 0.000 0.209 205 A C 1.874 179.361 177.584 -0.161 0.000 1.168 205 A CA 0.675 52.555 52.037 -0.262 0.000 0.804 205 A CB -0.891 17.797 19.000 -0.519 0.000 0.834 205 A HN 1.413 nan 8.150 nan 0.000 0.482 206 G N -1.079 107.622 108.800 -0.165 0.000 2.254 206 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.225 206 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.225 206 G C 0.200 175.158 174.900 0.097 0.000 1.003 206 G CA 0.157 45.269 45.100 0.019 0.000 0.622 206 G HN 1.077 nan 8.290 nan 0.000 0.507 207 F N 0.939 120.931 119.950 0.069 0.000 2.380 207 F HA 0.831 5.358 4.527 0.000 0.000 0.319 207 F C -2.003 173.752 175.800 -0.076 0.000 1.113 207 F CA -3.297 54.634 58.000 -0.114 0.000 1.056 207 F CB -0.338 38.635 39.000 -0.045 0.000 1.289 207 F HN -0.035 nan 8.300 nan 0.000 0.515 208 P HA 0.098 nan 4.420 nan 0.000 0.269 208 P C -1.211 176.288 177.300 0.333 0.000 1.217 208 P CA 0.163 63.324 63.100 0.101 0.000 0.783 208 P CB 0.299 31.976 31.700 -0.038 0.000 0.898 209 F N 2.178 122.149 119.950 0.036 0.000 2.653 209 F HA 0.467 4.994 4.527 0.000 0.000 0.327 209 F C -1.880 173.939 175.800 0.032 0.000 1.195 209 F CA -1.663 56.420 58.000 0.139 0.000 0.993 209 F CB 0.510 39.569 39.000 0.098 0.000 1.259 209 F HN 0.023 nan 8.300 nan 0.000 0.478 210 F N 5.919 125.603 119.950 -0.444 0.000 2.405 210 F HA 0.397 4.924 4.527 -0.000 0.000 0.358 210 F C 0.868 176.225 175.800 -0.738 0.000 1.151 210 F CA -0.230 57.411 58.000 -0.599 0.000 1.161 210 F CB 0.434 38.789 39.000 -1.074 0.000 1.245 210 F HN 0.419 nan 8.300 nan 0.000 0.545 211 R N 2.386 122.473 120.500 -0.687 0.000 2.248 211 R HA 0.242 4.582 4.340 -0.000 0.000 0.328 211 R C -0.406 175.906 176.300 0.020 0.000 1.067 211 R CA -0.180 55.592 56.100 -0.548 0.000 0.924 211 R CB 0.461 30.522 30.300 -0.399 0.000 1.013 211 R HN 0.519 nan 8.270 nan 0.000 0.454 212 T N 6.051 120.715 114.554 0.184 0.000 2.832 212 T HA 0.171 4.521 4.350 -0.000 0.000 0.296 212 T C 1.194 175.931 174.700 0.061 0.000 0.968 212 T CA -0.208 62.004 62.100 0.186 0.000 1.107 212 T CB 0.828 69.898 68.868 0.338 0.000 0.916 212 T HN 0.562 nan 8.240 nan 0.000 0.517 213 L N 2.021 123.221 121.223 -0.038 0.000 2.731 213 L HA 0.430 4.770 4.340 -0.000 0.000 0.240 213 L C 0.782 177.695 176.870 0.071 0.000 1.120 213 L CA 0.134 55.005 54.840 0.051 0.000 0.913 213 L CB 0.282 42.398 42.059 0.095 0.000 1.213 213 L HN 0.491 nan 8.230 nan 0.000 0.515 214 K N -0.416 119.998 120.400 0.024 0.000 2.578 214 K HA 0.432 4.752 4.320 -0.000 0.000 0.269 214 K C -1.467 175.131 176.600 -0.004 0.000 0.941 214 K CA -0.320 55.966 56.287 -0.002 0.000 0.847 214 K CB 2.753 35.237 32.500 -0.026 0.000 1.397 214 K HN -0.311 nan 8.250 nan 0.000 0.422 215 T N 2.555 117.101 114.554 -0.014 0.000 2.909 215 T HA 0.699 5.049 4.350 -0.000 0.000 0.299 215 T C -1.718 172.919 174.700 -0.105 0.000 1.073 215 T CA -0.551 61.514 62.100 -0.059 0.000 0.999 215 T CB 0.976 69.904 68.868 0.100 0.000 1.098 215 T HN 0.357 nan 8.240 nan 0.000 0.477 216 L N 2.611 123.689 121.223 -0.243 0.000 2.466 216 L HA 0.571 4.911 4.340 -0.000 0.000 0.258 216 L C -1.605 175.226 176.870 -0.065 0.000 0.973 216 L CA -0.805 53.962 54.840 -0.121 0.000 0.826 216 L CB 1.959 43.942 42.059 -0.126 0.000 1.372 216 L HN 0.645 nan 8.230 nan 0.000 0.409 217 Y N 3.137 123.392 120.300 -0.075 0.000 2.535 217 Y HA 0.539 5.089 4.550 -0.000 0.000 0.341 217 Y C -1.046 174.856 175.900 0.003 0.000 1.041 217 Y CA -1.080 57.028 58.100 0.014 0.000 1.307 217 Y CB 0.934 39.469 38.460 0.124 0.000 1.095 217 Y HN 0.429 nan 8.280 nan 0.000 0.534 218 L N 4.861 126.002 121.223 -0.137 0.000 2.515 218 L HA 0.240 4.580 4.340 -0.000 0.000 0.281 218 L C 0.416 177.077 176.870 -0.348 0.000 1.131 218 L CA 0.126 54.854 54.840 -0.186 0.000 0.905 218 L CB 0.148 42.127 42.059 -0.134 0.000 1.246 218 L HN 0.568 nan 8.230 nan 0.000 0.463 219 S N 2.623 118.134 115.700 -0.315 0.000 2.664 219 S HA 0.385 4.855 4.470 -0.000 0.000 0.262 219 S C -0.216 174.292 174.600 -0.154 0.000 1.229 219 S CA -0.699 57.306 58.200 -0.325 0.000 1.151 219 S CB 0.445 63.394 63.200 -0.419 0.000 1.054 219 S HN 0.745 nan 8.310 nan 0.000 0.483 220 D N 2.250 122.577 120.400 -0.122 0.000 2.530 220 D HA 0.233 4.873 4.640 -0.000 0.000 0.290 220 D C 1.120 177.383 176.300 -0.061 0.000 1.398 220 D CA 0.466 54.421 54.000 -0.075 0.000 0.848 220 D CB -0.243 40.518 40.800 -0.065 0.000 1.279 220 D HN 0.891 nan 8.370 nan 0.000 0.483 221 G N -0.087 108.672 108.800 -0.069 0.000 2.254 221 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.225 221 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.225 221 G C 0.068 174.934 174.900 -0.057 0.000 1.003 221 G CA 0.004 45.072 45.100 -0.053 0.000 0.622 221 G HN 0.408 nan 8.290 nan 0.000 0.507 222 V N 1.930 121.803 119.914 -0.068 0.000 2.427 222 V HA 0.390 4.510 4.120 -0.000 0.000 0.268 222 V C 0.643 176.678 176.094 -0.099 0.000 1.046 222 V CA -0.197 62.059 62.300 -0.074 0.000 0.970 222 V CB 1.316 33.096 31.823 -0.071 0.000 1.001 222 V HN 0.368 nan 8.190 nan 0.000 0.476 223 N N 5.156 123.793 118.700 -0.105 0.000 2.895 223 N HA 0.108 4.848 4.740 -0.000 0.000 0.277 223 N C 0.210 175.584 175.510 -0.225 0.000 1.185 223 N CA -0.004 52.964 53.050 -0.137 0.000 1.106 223 N CB -0.173 38.251 38.487 -0.105 0.000 1.422 223 N HN 0.531 nan 8.380 nan 0.000 0.521 224 R N 2.201 122.576 120.500 -0.208 0.000 2.316 224 R HA 0.219 4.559 4.340 -0.000 0.000 0.314 224 R C 0.005 176.126 176.300 -0.298 0.000 1.069 224 R CA 0.048 55.995 56.100 -0.255 0.000 0.959 224 R CB 0.599 30.797 30.300 -0.170 0.000 0.987 224 R HN 0.238 nan 8.270 nan 0.000 0.446 225 K N 0.426 120.535 120.400 -0.484 0.000 2.433 225 K HA 0.203 4.523 4.320 -0.000 0.000 0.252 225 K C 0.137 176.631 176.600 -0.176 0.000 1.015 225 K CA -0.902 55.155 56.287 -0.384 0.000 0.860 225 K CB 1.921 34.091 32.500 -0.551 0.000 1.359 225 K HN 0.492 nan 8.250 nan 0.000 0.452 226 S N 0.035 115.759 115.700 0.040 0.000 3.477 226 S HA -0.185 4.285 4.470 -0.000 0.000 0.357 226 S C 0.048 174.674 174.600 0.044 0.000 1.083 226 S CA 0.325 58.626 58.200 0.169 0.000 1.042 226 S CB -1.578 61.863 63.200 0.401 0.000 0.911 226 S HN 0.550 nan 8.310 nan 0.000 0.490 227 c N 2.122 120.698 118.600 -0.040 0.000 2.653 227 c HA 0.500 5.070 4.570 -0.000 0.000 0.421 227 c C 1.128 175.191 174.090 -0.045 0.000 1.334 227 c CA -0.375 55.892 56.329 -0.103 0.000 1.885 227 c CB 0.484 42.934 42.510 -0.101 0.000 2.645 227 c HN 0.648 nan 8.230 nan 0.000 0.601 228 S N 2.102 117.753 115.700 -0.081 0.000 2.482 228 S HA 0.698 5.168 4.470 -0.000 0.000 0.303 228 S C -0.543 174.111 174.600 0.090 0.000 1.091 228 S CA -0.353 57.890 58.200 0.073 0.000 1.057 228 S CB 1.079 64.395 63.200 0.193 0.000 1.031 228 S HN 0.667 nan 8.310 nan 0.000 0.485 229 I N 1.959 122.655 120.570 0.210 0.000 2.693 229 I HA 0.704 4.874 4.170 -0.000 0.000 0.303 229 I C -0.642 175.676 176.117 0.334 0.000 1.025 229 I CA -0.189 61.254 61.300 0.238 0.000 1.086 229 I CB 1.993 40.050 38.000 0.096 0.000 1.268 229 I HN 0.622 nan 8.210 nan 0.000 0.440 230 S N 3.342 119.222 115.700 0.300 0.000 2.546 230 S HA 0.423 4.893 4.470 -0.000 0.000 0.272 230 S C -0.667 173.956 174.600 0.039 0.000 1.140 230 S CA -0.421 57.866 58.200 0.145 0.000 0.920 230 S CB 1.721 64.953 63.200 0.053 0.000 1.083 230 S HN 0.667 nan 8.310 nan 0.000 0.476 231 T N 3.152 117.675 114.554 -0.052 0.000 2.926 231 T HA 0.517 4.867 4.350 -0.000 0.000 0.307 231 T C -0.104 174.531 174.700 -0.108 0.000 1.059 231 T CA 0.302 62.316 62.100 -0.143 0.000 1.122 231 T CB 0.340 69.020 68.868 -0.312 0.000 0.972 231 T HN 1.195 nan 8.240 nan 0.000 0.545 232 V N 1.843 121.687 119.914 -0.117 0.000 3.147 232 V HA 0.644 4.764 4.120 -0.000 0.000 0.306 232 V C -3.077 172.904 176.094 -0.189 0.000 1.209 232 V CA -3.075 59.040 62.300 -0.308 0.000 1.023 232 V CB 1.589 33.242 31.823 -0.284 0.000 1.059 232 V HN 0.503 nan 8.190 nan 0.000 0.435 233 P HA 0.294 nan 4.420 nan 0.000 0.258 233 P C 0.960 178.251 177.300 -0.016 0.000 1.187 233 P CA 2.166 65.195 63.100 -0.117 0.000 0.767 233 P CB 0.368 31.982 31.700 -0.143 0.000 0.770 234 G N 2.186 110.973 108.800 -0.021 0.000 2.143 234 G HA2 0.002 3.962 3.960 -0.000 0.000 0.249 234 G HA3 0.002 3.962 3.960 -0.000 0.000 0.249 234 G C 0.428 175.336 174.900 0.013 0.000 0.981 234 G CA -0.089 45.003 45.100 -0.014 0.000 0.665 234 G HN 0.967 nan 8.290 nan 0.000 0.528 235 G N -2.258 106.503 108.800 -0.065 0.000 2.392 235 G HA2 0.528 4.488 3.960 -0.000 0.000 0.260 235 G HA3 0.528 4.488 3.960 -0.000 0.000 0.260 235 G C -0.951 173.956 174.900 0.011 0.000 1.226 235 G CA 0.390 45.441 45.100 -0.082 0.000 0.913 235 G HN 1.195 nan 8.290 nan 0.000 0.483 236 c N -0.085 118.458 118.600 -0.095 0.000 2.712 236 c HA 0.871 5.441 4.570 -0.000 0.000 0.308 236 c C -0.002 174.039 174.090 -0.083 0.000 1.201 236 c CA -0.460 55.843 56.329 -0.043 0.000 1.554 236 c CB 1.165 43.665 42.510 -0.016 0.000 2.117 236 c HN 0.849 nan 8.230 nan 0.000 0.480 237 M N 3.616 123.232 119.600 0.027 0.000 2.253 237 M HA 0.641 5.121 4.480 -0.000 0.000 0.314 237 M C -1.228 175.211 176.300 0.232 0.000 1.019 237 M CA -0.306 55.057 55.300 0.104 0.000 0.932 237 M CB 1.317 34.028 32.600 0.185 0.000 1.606 237 M HN 0.920 nan 8.290 nan 0.000 0.430 238 M N 4.726 124.381 119.600 0.092 0.000 2.383 238 M HA 0.446 4.926 4.480 -0.000 0.000 0.325 238 M C -2.215 174.016 176.300 -0.116 0.000 1.092 238 M CA -0.669 54.629 55.300 -0.004 0.000 0.961 238 M CB 1.837 34.416 32.600 -0.034 0.000 1.672 238 M HN 0.734 nan 8.290 nan 0.000 0.438 239 Y N 4.802 124.773 120.300 -0.549 0.000 2.341 239 Y HA 0.691 5.241 4.550 -0.000 0.000 0.338 239 Y C -1.624 174.104 175.900 -0.286 0.000 0.965 239 Y CA -1.316 56.450 58.100 -0.557 0.000 1.108 239 Y CB 0.986 38.758 38.460 -1.147 0.000 1.180 239 Y HN 0.877 nan 8.280 nan 0.000 0.458 240 c N 5.897 124.340 118.600 -0.261 0.000 3.154 240 c HA 0.747 5.317 4.570 -0.000 0.000 0.312 240 c C -0.792 173.192 174.090 -0.175 0.000 1.349 240 c CA -1.097 55.050 56.329 -0.304 0.000 1.518 240 c CB 1.257 43.654 42.510 -0.190 0.000 1.934 240 c HN 0.823 nan 8.230 nan 0.000 0.462 241 F N -0.710 119.085 119.950 -0.257 0.000 2.577 241 F HA 0.858 5.385 4.527 0.000 0.000 0.318 241 F C -0.924 174.815 175.800 -0.102 0.000 1.065 241 F CA -1.065 56.839 58.000 -0.160 0.000 0.929 241 F CB 0.796 39.683 39.000 -0.189 0.000 1.237 241 F HN 0.275 nan 8.300 nan 0.000 0.468 242 V N 2.803 122.646 119.914 -0.118 0.000 2.348 242 V HA 0.311 4.431 4.120 -0.000 0.000 0.270 242 V C 0.159 176.136 176.094 -0.195 0.000 1.037 242 V CA -0.485 61.677 62.300 -0.230 0.000 0.872 242 V CB 0.483 32.260 31.823 -0.076 0.000 1.002 242 V HN 0.901 nan 8.190 nan 0.000 0.464 243 S N 3.684 119.138 115.700 -0.409 0.000 2.489 243 S HA 0.377 4.847 4.470 -0.000 0.000 0.277 243 S C 0.932 175.528 174.600 -0.006 0.000 1.230 243 S CA 0.173 58.289 58.200 -0.139 0.000 1.053 243 S CB 0.807 63.872 63.200 -0.225 0.000 0.955 243 S HN 1.010 nan 8.310 nan 0.000 0.488 244 T N 1.287 115.873 114.554 0.053 0.000 3.209 244 T HA 0.335 4.685 4.350 -0.000 0.000 0.295 244 T C -0.133 174.583 174.700 0.028 0.000 0.977 244 T CA -0.484 61.659 62.100 0.073 0.000 0.922 244 T CB -0.347 68.550 68.868 0.047 0.000 1.152 244 T HN 0.818 nan 8.240 nan 0.000 0.527 245 Q N -0.848 118.860 119.800 -0.152 0.000 2.776 245 Q HA 0.495 4.835 4.340 -0.000 0.000 0.289 245 Q C -3.487 172.207 176.000 -0.510 0.000 0.912 245 Q CA -2.127 53.312 55.803 -0.607 0.000 0.789 245 Q CB 0.097 28.685 28.738 -0.250 0.000 1.498 245 Q HN -0.093 nan 8.270 nan 0.000 0.408 246 P HA -0.091 nan 4.420 nan 0.000 0.266 246 P C 0.185 177.505 177.300 0.034 0.000 1.193 246 P CA 0.356 63.402 63.100 -0.091 0.000 0.770 246 P CB 0.569 32.272 31.700 0.004 0.000 0.836 247 E N 3.362 123.649 120.200 0.145 0.000 2.086 247 E HA -0.329 4.021 4.350 -0.000 0.000 0.200 247 E C 1.875 178.555 176.600 0.133 0.000 1.012 247 E CA 1.359 57.850 56.400 0.153 0.000 0.812 247 E CB -0.112 29.736 29.700 0.247 0.000 0.743 247 E HN 0.260 nan 8.360 nan 0.000 0.453 248 R N 0.125 120.761 120.500 0.227 0.000 2.105 248 R HA -0.173 4.167 4.340 -0.000 0.000 0.239 248 R C 1.605 178.086 176.300 0.303 0.000 1.135 248 R CA 1.963 58.237 56.100 0.290 0.000 0.967 248 R CB -0.109 30.388 30.300 0.328 0.000 0.861 248 R HN 0.268 nan 8.270 nan 0.000 0.442 249 D N 0.469 120.964 120.400 0.158 0.000 2.218 249 D HA -0.141 4.499 4.640 -0.000 0.000 0.204 249 D C 1.254 177.619 176.300 0.108 0.000 0.976 249 D CA 0.972 55.046 54.000 0.122 0.000 0.853 249 D CB -0.280 40.520 40.800 0.001 0.000 0.939 249 D HN 0.272 nan 8.370 nan 0.000 0.481 250 D N -0.329 120.082 120.400 0.017 0.000 2.178 250 D HA -0.132 4.508 4.640 -0.000 0.000 0.202 250 D C 1.798 177.973 176.300 -0.208 0.000 0.974 250 D CA 0.714 54.634 54.000 -0.134 0.000 0.841 250 D CB -0.226 40.398 40.800 -0.292 0.000 0.953 250 D HN 0.357 nan 8.370 nan 0.000 0.478 251 Y N -0.694 119.535 120.300 -0.118 0.000 2.373 251 Y HA -0.046 4.504 4.550 -0.000 0.000 0.293 251 Y C 2.026 177.817 175.900 -0.182 0.000 1.129 251 Y CA 0.511 58.508 58.100 -0.172 0.000 1.226 251 Y CB -0.279 38.017 38.460 -0.274 0.000 1.000 251 Y HN -0.075 nan 8.280 nan 0.000 0.549 252 F N -0.311 119.683 119.950 0.074 0.000 2.335 252 F HA -0.033 4.494 4.527 -0.000 0.000 0.296 252 F C 1.469 177.271 175.800 0.003 0.000 1.091 252 F CA 0.256 58.278 58.000 0.035 0.000 1.399 252 F CB -0.440 38.564 39.000 0.007 0.000 1.067 252 F HN -0.217 nan 8.300 nan 0.000 0.520 253 S N 0.724 116.508 115.700 0.141 0.000 2.531 253 S HA 0.405 4.875 4.470 -0.000 0.000 0.279 253 S C 1.065 175.677 174.600 0.020 0.000 1.305 253 S CA -0.261 57.978 58.200 0.064 0.000 1.058 253 S CB 1.550 64.770 63.200 0.032 0.000 0.899 253 S HN 0.246 nan 8.310 nan 0.000 0.493 254 A N 2.785 125.616 122.820 0.019 0.000 2.119 254 A HA 0.435 4.755 4.320 -0.000 0.000 0.217 254 A C 1.268 178.855 177.584 0.005 0.000 1.153 254 A CA 0.682 52.722 52.037 0.005 0.000 0.692 254 A CB -0.798 18.204 19.000 0.004 0.000 0.799 254 A HN 1.336 nan 8.150 nan 0.000 0.458 255 A N 1.180 124.002 122.820 0.003 0.000 2.301 255 A HA 0.602 4.922 4.320 -0.000 0.000 0.298 255 A C -2.436 175.139 177.584 -0.014 0.000 1.185 255 A CA -1.716 50.322 52.037 0.002 0.000 0.830 255 A CB 0.356 19.359 19.000 0.005 0.000 1.112 255 A HN 0.257 nan 8.150 nan 0.000 0.508 256 P HA 0.398 nan 4.420 nan 0.000 0.281 256 P C -2.719 174.563 177.300 -0.030 0.000 1.249 256 P CA -1.435 61.640 63.100 -0.042 0.000 0.810 256 P CB 0.201 31.889 31.700 -0.019 0.000 1.008 257 P HA 0.144 nan 4.420 nan 0.000 0.271 257 P C -0.064 177.278 177.300 0.071 0.000 1.244 257 P CA -0.124 63.010 63.100 0.057 0.000 0.793 257 P CB 0.311 32.117 31.700 0.176 0.000 0.984 258 E N 1.074 121.329 120.200 0.092 0.000 2.373 258 E HA 0.025 4.375 4.350 -0.000 0.000 0.267 258 E C -0.586 176.077 176.600 0.106 0.000 1.032 258 E CA -0.333 56.108 56.400 0.068 0.000 0.889 258 E CB 0.318 30.043 29.700 0.042 0.000 0.984 258 E HN 0.226 nan 8.360 nan 0.000 0.425 259 Q N 3.305 123.161 119.800 0.094 0.000 2.312 259 Q HA 0.491 4.831 4.340 -0.000 0.000 0.263 259 Q C -0.692 175.385 176.000 0.128 0.000 0.995 259 Q CA -0.476 55.424 55.803 0.163 0.000 0.853 259 Q CB 2.078 30.923 28.738 0.179 0.000 1.300 259 Q HN 0.521 nan 8.270 nan 0.000 0.448 260 R N 1.326 121.927 120.500 0.168 0.000 2.651 260 R HA 0.641 4.981 4.340 -0.000 0.000 0.278 260 R C -0.614 175.767 176.300 0.135 0.000 1.010 260 R CA -0.893 55.266 56.100 0.098 0.000 0.896 260 R CB 1.838 32.158 30.300 0.033 0.000 1.211 260 R HN 0.649 nan 8.270 nan 0.000 0.456 261 I N -0.065 120.541 120.570 0.060 0.000 2.466 261 I HA 0.543 4.713 4.170 -0.000 0.000 0.289 261 I C -1.234 174.891 176.117 0.014 0.000 1.026 261 I CA -0.596 60.730 61.300 0.042 0.000 1.078 261 I CB 1.464 39.475 38.000 0.019 0.000 1.249 261 I HN 0.427 nan 8.210 nan 0.000 0.429 262 I N 7.423 127.992 120.570 -0.003 0.000 2.404 262 I HA 0.498 4.668 4.170 -0.000 0.000 0.293 262 I C -0.400 175.686 176.117 -0.053 0.000 0.992 262 I CA -0.351 60.932 61.300 -0.029 0.000 1.149 262 I CB 1.706 39.679 38.000 -0.045 0.000 1.315 262 I HN 0.492 nan 8.210 nan 0.000 0.446 263 I N 6.394 126.906 120.570 -0.096 0.000 2.362 263 I HA 0.449 4.619 4.170 -0.000 0.000 0.289 263 I C -0.657 175.278 176.117 -0.304 0.000 0.994 263 I CA -0.475 60.684 61.300 -0.234 0.000 1.158 263 I CB 1.245 39.067 38.000 -0.297 0.000 1.315 263 I HN 0.411 nan 8.210 nan 0.000 0.451 264 M N 6.624 126.023 119.600 -0.335 0.000 2.043 264 M HA 0.407 4.887 4.480 -0.000 0.000 0.322 264 M C -1.171 174.947 176.300 -0.304 0.000 0.962 264 M CA -0.501 54.656 55.300 -0.238 0.000 0.927 264 M CB 1.068 33.588 32.600 -0.133 0.000 1.466 264 M HN 0.307 nan 8.290 nan 0.000 0.412 265 Y N 0.490 120.770 120.300 -0.033 0.000 2.301 265 Y HA 0.039 4.589 4.550 -0.000 0.000 0.328 265 Y C 0.953 176.840 175.900 -0.021 0.000 1.242 265 Y CA -0.038 58.044 58.100 -0.030 0.000 1.323 265 Y CB 0.401 38.837 38.460 -0.040 0.000 1.266 265 Y HN 0.548 nan 8.280 nan 0.000 0.527 266 Y N 2.502 122.809 120.300 0.011 0.000 2.483 266 Y HA -0.202 4.348 4.550 -0.000 0.000 0.291 266 Y C 1.560 177.429 175.900 -0.051 0.000 1.143 266 Y CA 1.499 59.545 58.100 -0.089 0.000 1.289 266 Y CB -0.288 38.064 38.460 -0.179 0.000 0.983 266 Y HN 0.726 nan 8.280 nan 0.000 0.556 267 N N -0.650 118.028 118.700 -0.037 0.000 2.370 267 N HA -0.038 4.702 4.740 -0.000 0.000 0.198 267 N C -0.121 175.327 175.510 -0.104 0.000 1.156 267 N CA 1.025 54.000 53.050 -0.125 0.000 0.839 267 N CB -0.573 37.874 38.487 -0.068 0.000 0.989 267 N HN 0.258 nan 8.380 nan 0.000 0.468 268 D N -2.222 118.127 120.400 -0.084 0.000 3.041 268 D HA -0.153 4.487 4.640 -0.000 0.000 0.220 268 D C -1.070 175.229 176.300 -0.001 0.000 1.157 268 D CA 1.190 55.155 54.000 -0.058 0.000 0.876 268 D CB -1.544 39.199 40.800 -0.097 0.000 1.107 268 D HN 0.352 nan 8.370 nan 0.000 0.422 269 T N 0.370 114.966 114.554 0.070 0.000 2.845 269 T HA 0.629 4.979 4.350 -0.000 0.000 0.288 269 T C 0.517 175.301 174.700 0.141 0.000 0.980 269 T CA -0.212 61.947 62.100 0.098 0.000 1.071 269 T CB 1.051 69.984 68.868 0.109 0.000 0.941 269 T HN 0.076 nan 8.240 nan 0.000 0.487 270 I N 3.035 123.650 120.570 0.074 0.000 2.466 270 I HA 0.465 4.635 4.170 -0.000 0.000 0.289 270 I C -0.876 175.264 176.117 0.038 0.000 1.026 270 I CA -1.006 60.314 61.300 0.034 0.000 1.078 270 I CB 2.110 40.106 38.000 -0.007 0.000 1.249 270 I HN 0.239 nan 8.210 nan 0.000 0.429 271 V N 5.410 125.343 119.914 0.032 0.000 2.443 271 V HA 0.369 4.489 4.120 -0.000 0.000 0.293 271 V C -0.373 175.722 176.094 0.001 0.000 1.021 271 V CA -0.565 61.754 62.300 0.032 0.000 0.848 271 V CB 1.865 33.733 31.823 0.074 0.000 0.998 271 V HN 0.761 nan 8.190 nan 0.000 0.424 272 E N 5.143 125.342 120.200 -0.003 0.000 2.187 272 E HA 0.663 5.013 4.350 -0.000 0.000 0.268 272 E C -0.990 175.608 176.600 -0.003 0.000 0.896 272 E CA -0.861 55.533 56.400 -0.009 0.000 0.766 272 E CB 1.373 31.062 29.700 -0.018 0.000 1.142 272 E HN 0.500 nan 8.360 nan 0.000 0.408 273 R N 3.735 124.234 120.500 -0.000 0.000 2.750 273 R HA 0.490 4.830 4.340 -0.000 0.000 0.281 273 R C -0.589 175.714 176.300 0.005 0.000 0.972 273 R CA -0.850 55.250 56.100 0.001 0.000 0.912 273 R CB 1.403 31.703 30.300 0.000 0.000 1.187 273 R HN 0.648 nan 8.270 nan 0.000 0.464 274 I N 4.678 125.251 120.570 0.004 0.000 2.297 274 I HA 0.302 4.472 4.170 -0.000 0.000 0.291 274 I C 0.836 176.955 176.117 0.004 0.000 1.033 274 I CA -0.548 60.758 61.300 0.009 0.000 1.253 274 I CB 0.686 38.690 38.000 0.006 0.000 1.396 274 I HN 0.439 nan 8.210 nan 0.000 0.476 275 I N 4.469 125.042 120.570 0.005 0.000 2.566 275 I HA 0.479 4.649 4.170 -0.000 0.000 0.303 275 I C -0.321 175.787 176.117 -0.014 0.000 0.983 275 I CA -0.511 60.781 61.300 -0.013 0.000 1.235 275 I CB 1.279 39.255 38.000 -0.040 0.000 1.386 275 I HN 0.451 nan 8.210 nan 0.000 0.494 276 N N 5.163 123.852 118.700 -0.020 0.000 2.750 276 N HA 0.336 5.076 4.740 -0.000 0.000 0.253 276 N C -2.710 172.784 175.510 -0.027 0.000 1.408 276 N CA -0.806 52.233 53.050 -0.020 0.000 0.780 276 N CB 1.365 39.847 38.487 -0.008 0.000 1.191 276 N HN 0.540 nan 8.380 nan 0.000 0.511 277 P HA 0.285 nan 4.420 nan 0.000 0.272 277 P C -2.652 174.628 177.300 -0.035 0.000 1.223 277 P CA -0.965 62.106 63.100 -0.048 0.000 0.784 277 P CB 0.253 31.900 31.700 -0.089 0.000 0.923 278 P HA 0.102 nan 4.420 nan 0.000 0.269 278 P C 0.883 178.191 177.300 0.013 0.000 1.215 278 P CA 0.941 64.043 63.100 0.002 0.000 0.780 278 P CB -0.053 31.651 31.700 0.007 0.000 0.898 279 G N 0.324 109.151 108.800 0.045 0.000 2.160 279 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.251 279 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.251 279 G C 0.583 175.584 174.900 0.168 0.000 1.008 279 G CA 0.292 45.452 45.100 0.100 0.000 0.724 279 G HN 0.394 nan 8.290 nan 0.000 0.514 280 V N -0.579 119.392 119.914 0.094 0.000 2.854 280 V HA 0.356 4.476 4.120 -0.000 0.000 0.236 280 V C 1.410 177.593 176.094 0.148 0.000 1.157 280 V CA 0.808 63.164 62.300 0.094 0.000 1.187 280 V CB -0.159 31.609 31.823 -0.092 0.000 0.949 280 V HN 0.441 nan 8.190 nan 0.000 0.488 281 L N 2.153 123.421 121.223 0.076 0.000 2.534 281 L HA 0.184 4.524 4.340 -0.000 0.000 0.271 281 L C 0.582 177.496 176.870 0.074 0.000 1.178 281 L CA 0.751 55.628 54.840 0.063 0.000 0.907 281 L CB -0.800 41.280 42.059 0.034 0.000 1.164 281 L HN 0.450 nan 8.230 nan 0.000 0.482 282 D N 2.141 122.582 120.400 0.067 0.000 3.028 282 D HA -0.194 4.446 4.640 -0.000 0.000 0.207 282 D C 0.784 177.120 176.300 0.060 0.000 1.100 282 D CA 1.138 55.166 54.000 0.048 0.000 0.995 282 D CB -1.128 39.690 40.800 0.029 0.000 1.108 282 D HN 0.435 nan 8.370 nan 0.000 0.421 283 V N -1.994 117.995 119.914 0.125 0.000 3.058 283 V HA 0.135 4.255 4.120 -0.000 0.000 0.233 283 V C 0.324 176.459 176.094 0.068 0.000 1.255 283 V CA 0.390 62.759 62.300 0.115 0.000 1.267 283 V CB 0.347 32.309 31.823 0.231 0.000 1.049 283 V HN 0.052 nan 8.190 nan 0.000 0.486 284 W N -0.120 121.180 121.300 -0.001 0.000 2.391 284 W HA 0.702 5.362 4.660 0.000 0.000 0.311 284 W C 0.974 177.454 176.519 -0.065 0.000 1.087 284 W CA 0.046 57.379 57.345 -0.021 0.000 1.209 284 W CB 1.349 30.784 29.460 -0.042 0.000 1.273 284 W HN 0.076 nan 8.180 nan 0.000 0.482 285 A N 2.133 125.006 122.820 0.089 0.000 1.970 285 A HA 0.146 4.466 4.320 -0.000 0.000 0.216 285 A C 0.652 178.168 177.584 -0.114 0.000 1.170 285 A CA 1.211 53.236 52.037 -0.018 0.000 0.645 285 A CB -0.271 18.700 19.000 -0.050 0.000 0.816 285 A HN 0.482 nan 8.150 nan 0.000 0.447 286 T N -1.753 112.707 114.554 -0.156 0.000 2.843 286 T HA 0.581 4.931 4.350 -0.000 0.000 0.302 286 T C -1.523 173.069 174.700 -0.180 0.000 1.232 286 T CA -0.468 61.425 62.100 -0.345 0.000 1.009 286 T CB 1.741 70.107 68.868 -0.837 0.000 1.254 286 T HN 0.448 nan 8.240 nan 0.000 0.504 287 L N 2.128 123.136 121.223 -0.358 0.000 2.614 287 L HA 0.678 5.018 4.340 -0.000 0.000 0.264 287 L C -2.037 174.525 176.870 -0.512 0.000 0.940 287 L CA -0.425 54.205 54.840 -0.350 0.000 0.903 287 L CB 1.844 43.694 42.059 -0.349 0.000 1.306 287 L HN 0.649 nan 8.230 nan 0.000 0.410 288 N N 4.447 122.828 118.700 -0.533 0.000 2.321 288 N HA 0.699 5.439 4.740 -0.000 0.000 0.290 288 N C -2.887 172.508 175.510 -0.192 0.000 1.212 288 N CA -1.807 50.931 53.050 -0.520 0.000 0.767 288 N CB 2.239 40.324 38.487 -0.671 0.000 1.494 288 N HN 0.306 nan 8.380 nan 0.000 0.479 289 P HA 0.222 nan 4.420 nan 0.000 0.277 289 P C 0.617 178.067 177.300 0.250 0.000 1.240 289 P CA -0.270 62.764 63.100 -0.109 0.000 0.798 289 P CB 0.665 32.038 31.700 -0.543 0.000 0.979 290 G N 0.473 109.507 108.800 0.390 0.000 2.956 290 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.207 290 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.207 290 G C 0.813 175.924 174.900 0.352 0.000 1.162 290 G CA 0.894 46.262 45.100 0.446 0.000 0.796 290 G HN 0.709 nan 8.290 nan 0.000 0.527 291 T N -4.002 110.716 114.554 0.274 0.000 10.732 291 T HA -0.244 4.106 4.350 -0.000 0.000 0.396 291 T C 1.423 176.278 174.700 0.258 0.000 1.605 291 T CA 1.784 64.008 62.100 0.207 0.000 2.571 291 T CB -1.860 67.119 68.868 0.184 0.000 2.779 291 T HN 1.465 nan 8.240 nan 0.000 1.025 292 G N 1.779 110.787 108.800 0.347 0.000 2.606 292 G HA2 0.470 4.430 3.960 -0.000 0.000 0.252 292 G HA3 0.470 4.430 3.960 -0.000 0.000 0.252 292 G C 0.259 175.381 174.900 0.370 0.000 1.206 292 G CA 0.193 45.553 45.100 0.433 0.000 0.861 292 G HN 1.679 nan 8.290 nan 0.000 0.561 293 S N -0.115 115.776 115.700 0.319 0.000 2.568 293 S HA 0.487 4.957 4.470 -0.000 0.000 0.282 293 S C 0.797 175.552 174.600 0.259 0.000 1.338 293 S CA 0.029 58.384 58.200 0.258 0.000 1.045 293 S CB 1.129 64.430 63.200 0.167 0.000 0.873 293 S HN 1.060 nan 8.310 nan 0.000 0.516 294 G N 0.128 109.104 108.800 0.293 0.000 2.557 294 G HA2 0.680 4.640 3.960 -0.000 0.000 0.302 294 G HA3 0.680 4.640 3.960 -0.000 0.000 0.302 294 G C -0.359 174.534 174.900 -0.010 0.000 1.311 294 G CA -0.407 44.763 45.100 0.117 0.000 1.030 294 G HN 1.754 nan 8.290 nan 0.000 0.509 295 V N -3.372 116.488 119.914 -0.089 0.000 3.049 295 V HA 0.661 4.781 4.120 -0.000 0.000 0.309 295 V C -1.552 174.587 176.094 0.075 0.000 1.148 295 V CA -1.372 60.938 62.300 0.016 0.000 0.990 295 V CB 1.694 33.551 31.823 0.057 0.000 1.039 295 V HN 0.754 nan 8.190 nan 0.000 0.430 296 Y N 3.851 124.159 120.300 0.014 0.000 2.434 296 Y HA 0.713 5.263 4.550 0.000 0.000 0.341 296 Y C -1.237 174.768 175.900 0.176 0.000 0.965 296 Y CA -1.350 56.786 58.100 0.061 0.000 1.205 296 Y CB 1.013 39.489 38.460 0.027 0.000 1.121 296 Y HN 0.832 nan 8.280 nan 0.000 0.507 297 Y N 6.564 126.705 120.300 -0.264 0.000 2.361 297 Y HA 0.409 4.959 4.550 -0.000 0.000 0.337 297 Y C -0.050 175.719 175.900 -0.219 0.000 0.965 297 Y CA -1.610 56.365 58.100 -0.208 0.000 1.091 297 Y CB 0.855 39.301 38.460 -0.024 0.000 1.182 297 Y HN 0.648 nan 8.280 nan 0.000 0.450 298 L N 6.601 127.395 121.223 -0.715 0.000 3.833 298 L HA -0.351 3.989 4.340 -0.000 0.000 0.447 298 L C 1.143 177.886 176.870 -0.212 0.000 1.213 298 L CA 1.292 55.800 54.840 -0.553 0.000 0.801 298 L CB -1.601 39.996 42.059 -0.769 0.000 1.676 298 L HN 1.193 nan 8.230 nan 0.000 0.883 299 G N -2.913 105.635 108.800 -0.421 0.000 2.179 299 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.260 299 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.260 299 G C -0.255 174.665 174.900 0.034 0.000 0.977 299 G CA 0.242 45.278 45.100 -0.107 0.000 0.641 299 G HN 0.395 nan 8.290 nan 0.000 0.533 300 W N -0.731 120.520 121.300 -0.083 0.000 2.706 300 W HA 0.677 5.337 4.660 0.000 0.000 0.346 300 W C -0.050 176.528 176.519 0.098 0.000 1.071 300 W CA -0.960 56.429 57.345 0.073 0.000 1.206 300 W CB 1.798 31.315 29.460 0.094 0.000 1.413 300 W HN 0.163 nan 8.180 nan 0.000 0.542 301 V N 4.147 124.241 119.914 0.299 0.000 2.370 301 V HA 0.422 4.542 4.120 -0.000 0.000 0.283 301 V C -0.181 175.842 176.094 -0.118 0.000 1.023 301 V CA -0.942 61.388 62.300 0.050 0.000 0.857 301 V CB 0.595 32.368 31.823 -0.084 0.000 0.985 301 V HN 0.314 nan 8.190 nan 0.000 0.443 302 L N 5.433 126.527 121.223 -0.215 0.000 2.296 302 L HA 0.645 4.985 4.340 -0.000 0.000 0.286 302 L C -0.972 175.713 176.870 -0.308 0.000 1.023 302 L CA -0.182 54.553 54.840 -0.174 0.000 0.812 302 L CB 1.270 43.294 42.059 -0.059 0.000 1.223 302 L HN 0.432 nan 8.230 nan 0.000 0.421 303 F N 3.199 123.220 119.950 0.118 0.000 2.532 303 F HA 0.537 5.064 4.527 -0.000 0.000 0.321 303 F C -2.145 173.785 175.800 0.216 0.000 1.089 303 F CA -2.496 55.624 58.000 0.201 0.000 0.926 303 F CB 1.888 41.062 39.000 0.290 0.000 1.168 303 F HN 0.254 nan 8.300 nan 0.000 0.459 304 P HA 0.397 nan 4.420 nan 0.000 0.280 304 P C -0.933 176.644 177.300 0.462 0.000 1.244 304 P CA 0.009 63.391 63.100 0.469 0.000 0.784 304 P CB 1.498 33.560 31.700 0.603 0.000 0.913 305 I N 1.160 121.966 120.570 0.393 0.000 3.145 305 I HA 0.812 4.982 4.170 -0.000 0.000 0.313 305 I C -1.258 175.151 176.117 0.486 0.000 1.122 305 I CA -1.510 60.011 61.300 0.369 0.000 0.987 305 I CB 2.404 40.506 38.000 0.169 0.000 1.236 305 I HN 0.390 nan 8.210 nan 0.000 0.453 306 Y N 0.840 121.274 120.300 0.225 0.000 2.713 306 Y HA 0.939 5.489 4.550 -0.000 0.000 0.335 306 Y C -0.538 175.583 175.900 0.368 0.000 1.222 306 Y CA -0.366 57.941 58.100 0.346 0.000 1.061 306 Y CB 0.908 39.555 38.460 0.312 0.000 1.314 306 Y HN 1.162 nan 8.280 nan 0.000 0.453 307 G N -0.554 108.500 108.800 0.424 0.000 2.336 307 G HA2 0.506 4.466 3.960 -0.000 0.000 0.286 307 G HA3 0.506 4.466 3.960 -0.000 0.000 0.286 307 G C -1.409 173.739 174.900 0.413 0.000 1.269 307 G CA -0.266 44.993 45.100 0.265 0.000 0.873 307 G HN 1.444 nan 8.290 nan 0.000 0.494 308 G N -0.850 108.118 108.800 0.280 0.000 2.470 308 G HA2 0.670 4.630 3.960 -0.000 0.000 0.320 308 G HA3 0.670 4.630 3.960 -0.000 0.000 0.320 308 G C -0.733 174.165 174.900 -0.004 0.000 1.245 308 G CA -0.338 44.916 45.100 0.256 0.000 0.935 308 G HN 0.996 nan 8.290 nan 0.000 0.476 309 V N 3.290 123.128 119.914 -0.126 0.000 2.617 309 V HA 0.371 4.491 4.120 -0.000 0.000 0.298 309 V C 0.512 176.649 176.094 0.072 0.000 1.048 309 V CA -0.657 61.506 62.300 -0.228 0.000 0.964 309 V CB 1.620 33.219 31.823 -0.374 0.000 1.004 309 V HN 0.602 nan 8.190 nan 0.000 0.466 310 I N 3.355 123.924 120.570 -0.002 0.000 2.529 310 I HA 0.218 4.388 4.170 -0.000 0.000 0.284 310 I C 0.724 176.715 176.117 -0.209 0.000 1.082 310 I CA -0.160 61.106 61.300 -0.056 0.000 1.406 310 I CB 0.534 38.486 38.000 -0.081 0.000 1.405 310 I HN 0.615 nan 8.210 nan 0.000 0.548 311 K N 4.604 124.620 120.400 -0.640 0.000 2.448 311 K HA 0.126 4.446 4.320 -0.000 0.000 0.278 311 K C 0.960 176.974 176.600 -0.978 0.000 1.009 311 K CA 0.991 56.281 56.287 -1.661 0.000 0.995 311 K CB 0.323 31.970 32.500 -1.421 0.000 0.917 311 K HN 0.943 nan 8.250 nan 0.000 0.481 312 G N 2.301 110.450 108.800 -1.085 0.000 2.195 312 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.246 312 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.246 312 G C 0.184 174.989 174.900 -0.158 0.000 0.984 312 G CA 0.422 45.269 45.100 -0.421 0.000 0.633 312 G HN 0.868 nan 8.290 nan 0.000 0.525 313 T N -1.049 113.449 114.554 -0.093 0.000 2.868 313 T HA 0.640 4.990 4.350 -0.000 0.000 0.292 313 T C 1.594 176.354 174.700 0.100 0.000 1.028 313 T CA 0.740 62.850 62.100 0.018 0.000 1.059 313 T CB 1.603 70.486 68.868 0.025 0.000 0.991 313 T HN 0.323 nan 8.240 nan 0.000 0.531 314 S N 0.636 116.379 115.700 0.071 0.000 2.365 314 S HA -0.133 4.337 4.470 -0.000 0.000 0.225 314 S C 1.863 176.517 174.600 0.091 0.000 1.039 314 S CA 1.270 59.514 58.200 0.074 0.000 1.033 314 S CB -0.722 62.508 63.200 0.049 0.000 0.887 314 S HN 0.650 nan 8.310 nan 0.000 0.447 315 L N 2.137 123.406 121.223 0.078 0.000 1.971 315 L HA -0.133 4.207 4.340 -0.000 0.000 0.215 315 L C 2.090 179.011 176.870 0.085 0.000 1.072 315 L CA 1.939 56.808 54.840 0.047 0.000 0.758 315 L CB -1.153 40.899 42.059 -0.012 0.000 0.889 315 L HN 0.584 nan 8.230 nan 0.000 0.433 316 W N 0.852 122.117 121.300 -0.059 0.000 2.302 316 W HA -0.318 4.342 4.660 -0.000 0.000 0.320 316 W C 2.274 178.804 176.519 0.019 0.000 1.241 316 W CA 2.270 59.610 57.345 -0.008 0.000 1.264 316 W CB -0.711 28.753 29.460 0.007 0.000 1.154 316 W HN 0.388 nan 8.180 nan 0.000 0.483 317 N N 0.618 119.543 118.700 0.375 0.000 2.120 317 N HA -0.190 4.550 4.740 -0.000 0.000 0.188 317 N C 1.229 176.786 175.510 0.077 0.000 1.024 317 N CA 1.706 54.898 53.050 0.237 0.000 0.852 317 N CB -1.126 37.474 38.487 0.187 0.000 1.003 317 N HN 0.272 nan 8.380 nan 0.000 0.424 318 N N 0.903 119.631 118.700 0.047 0.000 2.381 318 N HA -0.115 4.625 4.740 -0.000 0.000 0.182 318 N C 1.470 176.952 175.510 -0.048 0.000 1.025 318 N CA 0.658 53.708 53.050 -0.001 0.000 0.888 318 N CB -0.068 38.417 38.487 -0.003 0.000 0.965 318 N HN 0.288 nan 8.380 nan 0.000 0.438 319 Q N 0.622 120.373 119.800 -0.081 0.000 2.424 319 Q HA 0.289 4.629 4.340 -0.000 0.000 0.204 319 Q C -0.108 175.776 176.000 -0.192 0.000 0.933 319 Q CA -0.159 55.546 55.803 -0.164 0.000 0.929 319 Q CB 0.041 28.651 28.738 -0.214 0.000 1.037 319 Q HN 0.268 nan 8.270 nan 0.000 0.511 320 A N 1.171 123.905 122.820 -0.145 0.000 2.565 320 A HA -0.003 4.317 4.320 -0.000 0.000 0.237 320 A C 0.443 177.997 177.584 -0.049 0.000 1.053 320 A CA 0.812 52.788 52.037 -0.103 0.000 0.755 320 A CB -0.379 18.603 19.000 -0.029 0.000 0.980 320 A HN 0.693 nan 8.150 nan 0.000 0.506 321 N N -0.626 118.069 118.700 -0.008 0.000 2.863 321 N HA -0.154 4.586 4.740 -0.000 0.000 0.245 321 N C -0.263 175.287 175.510 0.067 0.000 1.001 321 N CA 1.448 54.527 53.050 0.048 0.000 0.901 321 N CB -0.695 37.819 38.487 0.046 0.000 1.124 321 N HN 0.820 nan 8.380 nan 0.000 0.582 322 K N 0.220 120.583 120.400 -0.062 0.000 2.098 322 K HA 0.416 4.736 4.320 -0.000 0.000 0.261 322 K C -0.493 176.002 176.600 -0.175 0.000 0.987 322 K CA -0.165 56.028 56.287 -0.156 0.000 0.916 322 K CB 0.919 33.268 32.500 -0.251 0.000 1.039 322 K HN 0.253 nan 8.250 nan 0.000 0.455 323 Y N -0.938 119.284 120.300 -0.130 0.000 2.677 323 Y HA 0.592 5.142 4.550 -0.000 0.000 0.334 323 Y C -1.950 174.116 175.900 0.277 0.000 1.196 323 Y CA -1.616 56.514 58.100 0.050 0.000 1.059 323 Y CB 0.855 39.412 38.460 0.162 0.000 1.315 323 Y HN 0.455 nan 8.280 nan 0.000 0.455 324 F N 3.178 123.352 119.950 0.373 0.000 2.556 324 F HA 0.818 5.345 4.527 -0.000 0.000 0.314 324 F C -1.805 174.218 175.800 0.372 0.000 1.106 324 F CA -1.886 56.246 58.000 0.220 0.000 0.911 324 F CB 1.516 40.623 39.000 0.178 0.000 1.190 324 F HN 0.551 nan 8.300 nan 0.000 0.448 325 I N 6.949 127.175 120.570 -0.573 0.000 2.468 325 I HA 0.312 4.482 4.170 -0.000 0.000 0.285 325 I C -2.415 173.176 176.117 -0.878 0.000 1.039 325 I CA -2.015 59.032 61.300 -0.421 0.000 1.074 325 I CB 1.922 39.883 38.000 -0.063 0.000 1.228 325 I HN 0.420 nan 8.210 nan 0.000 0.436 326 P HA -0.029 nan 4.420 nan 0.000 0.262 326 P C 0.617 177.624 177.300 -0.490 0.000 1.182 326 P CA 0.221 62.860 63.100 -0.768 0.000 0.761 326 P CB 0.597 31.655 31.700 -1.071 0.000 0.795 327 Q N 2.793 122.422 119.800 -0.284 0.000 2.242 327 Q HA -0.226 4.114 4.340 -0.000 0.000 0.211 327 Q C 1.025 176.944 176.000 -0.135 0.000 0.992 327 Q CA 1.720 57.433 55.803 -0.150 0.000 0.889 327 Q CB -0.170 28.537 28.738 -0.052 0.000 0.913 327 Q HN 0.524 nan 8.270 nan 0.000 0.422 328 M N -0.791 118.716 119.600 -0.154 0.000 2.453 328 M HA 0.018 4.498 4.480 -0.000 0.000 0.239 328 M C 1.075 177.313 176.300 -0.104 0.000 1.151 328 M CA -0.262 54.997 55.300 -0.068 0.000 0.989 328 M CB 0.824 33.457 32.600 0.055 0.000 1.548 328 M HN 0.031 nan 8.290 nan 0.000 0.479 329 V N -0.009 119.733 119.914 -0.285 0.000 2.407 329 V HA -0.127 3.993 4.120 -0.000 0.000 0.245 329 V C 2.559 178.611 176.094 -0.070 0.000 1.041 329 V CA 1.831 63.982 62.300 -0.249 0.000 1.040 329 V CB -0.809 30.819 31.823 -0.325 0.000 0.671 329 V HN 0.552 nan 8.190 nan 0.000 0.455 330 A N 0.811 123.581 122.820 -0.084 0.000 1.870 330 A HA -0.321 3.999 4.320 -0.000 0.000 0.219 330 A C 2.423 179.998 177.584 -0.015 0.000 1.224 330 A CA 2.920 54.927 52.037 -0.049 0.000 0.650 330 A CB -1.242 17.729 19.000 -0.049 0.000 0.836 330 A HN 0.655 nan 8.150 nan 0.000 0.454 331 A N -1.291 121.527 122.820 -0.004 0.000 2.084 331 A HA 0.011 4.331 4.320 -0.000 0.000 0.221 331 A C 1.999 179.605 177.584 0.037 0.000 1.161 331 A CA 1.685 53.731 52.037 0.015 0.000 0.653 331 A CB -0.470 18.541 19.000 0.019 0.000 0.802 331 A HN 0.527 nan 8.150 nan 0.000 0.457 332 L N -2.047 119.215 121.223 0.064 0.000 2.638 332 L HA 0.154 4.494 4.340 -0.000 0.000 0.232 332 L C 0.888 177.815 176.870 0.095 0.000 1.099 332 L CA -0.419 54.482 54.840 0.102 0.000 0.883 332 L CB 0.287 42.461 42.059 0.192 0.000 1.136 332 L HN 0.422 nan 8.230 nan 0.000 0.492 333 C N 0.180 119.519 119.300 0.064 0.000 2.365 333 C HA 0.304 4.764 4.460 -0.000 0.000 0.351 333 C C 2.013 177.006 174.990 0.004 0.000 1.240 333 C CA -0.150 58.891 59.018 0.038 0.000 2.062 333 C CB 1.105 28.845 27.740 -0.001 0.000 2.387 333 C HN 0.497 nan 8.230 nan 0.000 0.537 334 S N 3.435 119.134 115.700 -0.001 0.000 2.528 334 S HA 0.076 4.546 4.470 -0.000 0.000 0.219 334 S C 0.428 175.011 174.600 -0.030 0.000 0.985 334 S CA 0.066 58.259 58.200 -0.012 0.000 0.914 334 S CB -0.193 63.004 63.200 -0.005 0.000 0.776 334 S HN 0.908 nan 8.310 nan 0.000 0.526 335 Q N 2.358 122.129 119.800 -0.048 0.000 2.312 335 Q HA 0.343 4.683 4.340 -0.000 0.000 0.236 335 Q C -0.367 175.592 176.000 -0.068 0.000 0.965 335 Q CA -0.700 55.063 55.803 -0.066 0.000 0.894 335 Q CB 0.348 29.027 28.738 -0.098 0.000 1.225 335 Q HN 0.613 nan 8.270 nan 0.000 0.478 336 N N 0.161 118.821 118.700 -0.067 0.000 2.445 336 N HA -0.053 4.687 4.740 -0.000 0.000 0.264 336 N C 0.455 175.916 175.510 -0.082 0.000 1.227 336 N CA -0.335 52.678 53.050 -0.062 0.000 0.963 336 N CB 0.596 39.053 38.487 -0.050 0.000 1.188 336 N HN 0.461 nan 8.380 nan 0.000 0.491 337 Q N 0.725 120.482 119.800 -0.071 0.000 2.133 337 Q HA -0.166 4.174 4.340 -0.000 0.000 0.208 337 Q C 1.816 177.753 176.000 -0.104 0.000 0.991 337 Q CA 2.645 58.399 55.803 -0.081 0.000 0.867 337 Q CB -0.939 27.767 28.738 -0.053 0.000 0.911 337 Q HN 0.823 nan 8.270 nan 0.000 0.417 338 A N -1.206 121.562 122.820 -0.087 0.000 1.902 338 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 338 A C 2.312 179.823 177.584 -0.122 0.000 1.181 338 A CA 2.039 54.019 52.037 -0.095 0.000 0.623 338 A CB -0.983 17.977 19.000 -0.067 0.000 0.818 338 A HN 0.472 nan 8.150 nan 0.000 0.443 339 T N -0.142 114.344 114.554 -0.114 0.000 2.777 339 T HA -0.151 4.199 4.350 -0.000 0.000 0.266 339 T C 2.094 176.688 174.700 -0.177 0.000 1.040 339 T CA 1.662 63.688 62.100 -0.124 0.000 1.141 339 T CB -0.235 68.572 68.868 -0.102 0.000 0.868 339 T HN 0.602 nan 8.240 nan 0.000 0.444 340 Q N 0.258 119.936 119.800 -0.202 0.000 2.020 340 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 340 Q C 2.565 178.362 176.000 -0.339 0.000 0.982 340 Q CA 1.286 56.919 55.803 -0.283 0.000 0.838 340 Q CB -0.432 28.152 28.738 -0.255 0.000 0.899 340 Q HN 0.321 nan 8.270 nan 0.000 0.423 341 V N 1.123 120.823 119.914 -0.357 0.000 2.392 341 V HA -0.323 3.797 4.120 -0.000 0.000 0.249 341 V C 2.318 178.120 176.094 -0.487 0.000 1.059 341 V CA 2.200 64.134 62.300 -0.611 0.000 1.051 341 V CB -0.658 30.836 31.823 -0.550 0.000 0.658 341 V HN 0.443 nan 8.190 nan 0.000 0.455 342 Q N -0.025 119.607 119.800 -0.280 0.000 2.046 342 Q HA -0.203 4.137 4.340 -0.000 0.000 0.200 342 Q C 2.149 178.074 176.000 -0.124 0.000 0.975 342 Q CA 1.743 57.445 55.803 -0.169 0.000 0.836 342 Q CB -0.079 28.589 28.738 -0.117 0.000 0.896 342 Q HN 0.649 nan 8.270 nan 0.000 0.428 343 N N 0.493 119.095 118.700 -0.164 0.000 2.188 343 N HA -0.103 4.637 4.740 -0.000 0.000 0.184 343 N C 1.656 177.093 175.510 -0.122 0.000 1.018 343 N CA 1.213 54.178 53.050 -0.142 0.000 0.858 343 N CB -0.344 38.006 38.487 -0.228 0.000 0.989 343 N HN 0.341 nan 8.380 nan 0.000 0.426 344 A N 1.934 124.638 122.820 -0.193 0.000 1.883 344 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 344 A C 2.139 179.911 177.584 0.313 0.000 1.186 344 A CA 1.416 53.465 52.037 0.020 0.000 0.624 344 A CB -0.446 18.577 19.000 0.039 0.000 0.822 344 A HN 0.238 nan 8.150 nan 0.000 0.444 345 K N 0.284 120.789 120.400 0.175 0.000 2.113 345 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 345 K C 2.301 179.146 176.600 0.409 0.000 1.047 345 K CA 1.775 58.236 56.287 0.289 0.000 0.928 345 K CB -0.258 32.320 32.500 0.130 0.000 0.716 345 K HN 0.690 nan 8.250 nan 0.000 0.446 346 S N 0.477 116.366 115.700 0.314 0.000 2.489 346 S HA -0.069 4.401 4.470 -0.000 0.000 0.228 346 S C 1.879 176.759 174.600 0.467 0.000 0.995 346 S CA 0.985 59.415 58.200 0.384 0.000 0.934 346 S CB -0.140 63.191 63.200 0.218 0.000 0.771 346 S HN 0.277 nan 8.310 nan 0.000 0.522 347 S N 0.097 116.034 115.700 0.395 0.000 2.547 347 S HA 0.018 4.488 4.470 -0.000 0.000 0.235 347 S C 0.954 175.666 174.600 0.185 0.000 0.980 347 S CA 0.112 58.515 58.200 0.339 0.000 0.941 347 S CB -0.883 62.442 63.200 0.209 0.000 0.763 347 S HN 0.640 nan 8.310 nan 0.000 0.532 348 Y N 0.296 120.669 120.300 0.121 0.000 2.466 348 Y HA 0.401 4.951 4.550 -0.000 0.000 0.272 348 Y C -0.190 175.504 175.900 -0.343 0.000 1.169 348 Y CA -0.836 57.166 58.100 -0.165 0.000 1.285 348 Y CB -0.149 38.052 38.460 -0.431 0.000 1.078 348 Y HN 0.265 nan 8.280 nan 0.000 0.523 349 Y N -0.958 119.544 120.300 0.338 0.000 2.376 349 Y HA 0.492 5.042 4.550 -0.000 0.000 0.340 349 Y C -0.007 175.927 175.900 0.058 0.000 0.965 349 Y CA -1.489 56.724 58.100 0.188 0.000 1.078 349 Y CB 2.005 40.520 38.460 0.091 0.000 1.193 349 Y HN -0.308 nan 8.280 nan 0.000 0.452 350 S N 1.114 116.931 115.700 0.195 0.000 2.640 350 S HA 0.271 4.741 4.470 -0.000 0.000 0.320 350 S C 0.753 175.340 174.600 -0.021 0.000 1.097 350 S CA -0.205 57.951 58.200 -0.073 0.000 1.092 350 S CB 0.568 63.937 63.200 0.281 0.000 0.988 350 S HN 0.786 nan 8.310 nan 0.000 0.470 351 S N 5.217 120.841 115.700 -0.126 0.000 2.428 351 S HA -0.064 4.406 4.470 -0.000 0.000 0.230 351 S C 1.555 176.234 174.600 0.132 0.000 1.014 351 S CA -0.032 58.174 58.200 0.010 0.000 0.957 351 S CB -0.521 62.680 63.200 0.001 0.000 0.784 351 S HN 0.918 nan 8.310 nan 0.000 0.499 352 W N 1.205 122.485 121.300 -0.033 0.000 2.467 352 W HA 0.151 4.811 4.660 -0.000 0.000 0.275 352 W C -0.596 176.070 176.519 0.246 0.000 1.239 352 W CA 0.248 57.634 57.345 0.068 0.000 1.266 352 W CB 0.023 29.434 29.460 -0.082 0.000 1.112 352 W HN 0.213 nan 8.180 nan 0.000 0.576 353 F N 1.676 121.636 119.950 0.017 0.000 2.508 353 F HA 0.361 4.888 4.527 -0.000 0.000 0.329 353 F C 1.347 176.910 175.800 -0.395 0.000 1.198 353 F CA -0.577 57.285 58.000 -0.229 0.000 1.268 353 F CB -0.241 38.461 39.000 -0.496 0.000 1.584 353 F HN 0.095 nan 8.300 nan 0.000 0.570 354 G N 2.006 110.265 108.800 -0.901 0.000 2.233 354 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.270 354 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.270 354 G C 0.631 175.242 174.900 -0.480 0.000 1.011 354 G CA 0.562 44.754 45.100 -1.513 0.000 0.762 354 G HN 0.724 nan 8.290 nan 0.000 0.511 355 N N -1.582 117.014 118.700 -0.174 0.000 2.738 355 N HA -0.182 4.558 4.740 -0.000 0.000 0.249 355 N C 0.567 176.171 175.510 0.157 0.000 1.047 355 N CA 1.267 54.332 53.050 0.024 0.000 0.707 355 N CB -0.120 38.366 38.487 -0.001 0.000 0.937 355 N HN 0.647 nan 8.380 nan 0.000 0.545 356 R N 0.391 121.024 120.500 0.223 0.000 2.828 356 R HA 0.459 4.799 4.340 -0.000 0.000 0.264 356 R C 0.267 176.819 176.300 0.420 0.000 1.022 356 R CA -0.833 55.471 56.100 0.340 0.000 1.021 356 R CB 0.793 31.265 30.300 0.285 0.000 1.163 356 R HN 0.286 nan 8.270 nan 0.000 0.494 357 M N 2.854 122.698 119.600 0.406 0.000 2.108 357 M HA 0.217 4.697 4.480 -0.000 0.000 0.347 357 M C -0.568 175.790 176.300 0.097 0.000 1.326 357 M CA -0.486 54.871 55.300 0.094 0.000 1.126 357 M CB 0.355 32.877 32.600 -0.129 0.000 1.606 357 M HN 0.279 nan 8.290 nan 0.000 0.462 358 I N 4.899 125.567 120.570 0.162 0.000 2.483 358 I HA 0.109 4.279 4.170 -0.000 0.000 0.291 358 I C 0.043 176.285 176.117 0.208 0.000 1.112 358 I CA 0.331 61.785 61.300 0.258 0.000 1.350 358 I CB -0.295 37.890 38.000 0.308 0.000 1.419 358 I HN 0.716 nan 8.210 nan 0.000 0.523 359 Q N 4.572 124.493 119.800 0.202 0.000 2.306 359 Q HA 0.510 4.850 4.340 -0.000 0.000 0.265 359 Q C -0.826 175.430 176.000 0.427 0.000 1.022 359 Q CA -0.295 55.630 55.803 0.204 0.000 0.853 359 Q CB 1.916 30.607 28.738 -0.078 0.000 1.327 359 Q HN 0.633 nan 8.270 nan 0.000 0.449 360 S N 0.835 116.774 115.700 0.398 0.000 2.593 360 S HA 0.992 5.462 4.470 -0.000 0.000 0.297 360 S C -0.679 174.208 174.600 0.479 0.000 1.112 360 S CA 0.141 58.621 58.200 0.467 0.000 1.043 360 S CB 1.409 64.835 63.200 0.377 0.000 1.054 360 S HN 0.836 nan 8.310 nan 0.000 0.516 361 G N 0.934 109.965 108.800 0.385 0.000 2.427 361 G HA2 0.547 4.507 3.960 -0.000 0.000 0.306 361 G HA3 0.547 4.507 3.960 -0.000 0.000 0.306 361 G C -2.042 172.789 174.900 -0.115 0.000 1.280 361 G CA -0.623 44.492 45.100 0.026 0.000 0.837 361 G HN 0.636 nan 8.290 nan 0.000 0.482 362 I N 0.116 120.520 120.570 -0.276 0.000 2.582 362 I HA 0.454 4.624 4.170 -0.000 0.000 0.292 362 I C -1.230 174.813 176.117 -0.124 0.000 1.066 362 I CA -0.846 60.346 61.300 -0.180 0.000 1.053 362 I CB 2.332 40.139 38.000 -0.323 0.000 1.241 362 I HN 0.392 nan 8.210 nan 0.000 0.421 363 L N 6.278 127.496 121.223 -0.008 0.000 2.287 363 L HA 0.745 5.085 4.340 -0.000 0.000 0.287 363 L C -0.269 176.609 176.870 0.014 0.000 1.022 363 L CA -0.107 54.712 54.840 -0.035 0.000 0.814 363 L CB 1.199 43.217 42.059 -0.068 0.000 1.217 363 L HN 0.658 nan 8.230 nan 0.000 0.420 364 A N 5.044 127.860 122.820 -0.007 0.000 2.258 364 A HA 0.671 4.990 4.320 -0.000 0.000 0.316 364 A C -0.784 177.010 177.584 0.350 0.000 1.279 364 A CA -0.426 51.677 52.037 0.110 0.000 0.876 364 A CB 0.401 19.330 19.000 -0.119 0.000 1.170 364 A HN 0.764 nan 8.150 nan 0.000 0.520 365 c N 4.906 123.734 118.600 0.379 0.000 2.408 365 c HA 0.683 5.253 4.570 -0.000 0.000 0.321 365 c C -2.318 171.791 174.090 0.031 0.000 1.245 365 c CA -1.075 55.394 56.329 0.233 0.000 1.523 365 c CB 1.709 44.294 42.510 0.125 0.000 2.178 365 c HN 0.743 nan 8.230 nan 0.000 0.488 366 P HA 0.112 nan 4.420 nan 0.000 0.275 366 P C -0.684 176.409 177.300 -0.345 0.000 1.228 366 P CA -0.308 62.239 63.100 -0.922 0.000 0.786 366 P CB 0.826 31.868 31.700 -1.097 0.000 0.927 367 L N 4.869 125.954 121.223 -0.231 0.000 2.536 367 L HA 0.157 4.497 4.340 -0.000 0.000 0.282 367 L C 0.258 177.086 176.870 -0.071 0.000 1.174 367 L CA 0.648 55.447 54.840 -0.068 0.000 0.989 367 L CB -1.297 40.776 42.059 0.023 0.000 1.311 367 L HN 0.347 nan 8.230 nan 0.000 0.455 368 R N 2.758 123.225 120.500 -0.055 0.000 2.774 368 R HA 0.360 4.700 4.340 -0.000 0.000 0.272 368 R C 0.071 176.376 176.300 0.008 0.000 1.000 368 R CA -0.653 55.427 56.100 -0.034 0.000 0.906 368 R CB 1.327 31.584 30.300 -0.071 0.000 1.227 368 R HN 0.435 nan 8.270 nan 0.000 0.468 369 Q N 0.664 120.479 119.800 0.024 0.000 2.319 369 Q HA 0.004 4.344 4.340 -0.000 0.000 0.202 369 Q C -0.255 175.756 176.000 0.017 0.000 0.896 369 Q CA 0.449 56.280 55.803 0.046 0.000 0.942 369 Q CB 0.544 29.323 28.738 0.068 0.000 1.083 369 Q HN 0.523 nan 8.270 nan 0.000 0.510 370 D N -0.182 120.217 120.400 -0.002 0.000 2.696 370 D HA 0.084 4.724 4.640 -0.000 0.000 0.269 370 D C -0.127 176.165 176.300 -0.014 0.000 1.319 370 D CA -0.268 53.727 54.000 -0.008 0.000 0.826 370 D CB -0.055 40.738 40.800 -0.012 0.000 1.086 370 D HN 0.105 nan 8.370 nan 0.000 0.481 371 L N 1.136 122.350 121.223 -0.015 0.000 2.525 371 L HA 0.061 4.401 4.340 -0.000 0.000 0.278 371 L C 1.649 178.510 176.870 -0.014 0.000 1.218 371 L CA 0.738 55.566 54.840 -0.021 0.000 0.878 371 L CB 0.704 42.751 42.059 -0.020 0.000 1.127 371 L HN 0.243 nan 8.230 nan 0.000 0.492 372 T N -2.433 112.112 114.554 -0.015 0.000 3.511 372 T HA 0.068 4.418 4.350 -0.000 0.000 0.220 372 T C 0.645 175.338 174.700 -0.011 0.000 0.962 372 T CA 0.140 62.234 62.100 -0.010 0.000 1.099 372 T CB 0.145 69.008 68.868 -0.007 0.000 1.197 372 T HN 0.567 nan 8.240 nan 0.000 0.343 373 N N 0.993 119.690 118.700 -0.006 0.000 2.451 373 N HA 0.299 5.039 4.740 -0.000 0.000 0.271 373 N C -0.058 175.459 175.510 0.011 0.000 1.410 373 N CA -0.213 52.835 53.050 -0.003 0.000 0.884 373 N CB 0.643 39.130 38.487 0.000 0.000 1.332 373 N HN 0.447 nan 8.380 nan 0.000 0.498 374 E N -0.121 120.086 120.200 0.013 0.000 2.400 374 E HA 0.209 4.559 4.350 -0.000 0.000 0.195 374 E C -0.081 176.579 176.600 0.101 0.000 1.012 374 E CA 0.124 56.549 56.400 0.042 0.000 0.875 374 E CB 0.220 29.916 29.700 -0.008 0.000 0.859 374 E HN 0.346 nan 8.360 nan 0.000 0.498 375 c N 1.484 120.120 118.600 0.059 0.000 2.644 375 c HA 0.271 4.841 4.570 -0.000 0.000 0.417 375 c C 0.302 174.421 174.090 0.049 0.000 1.304 375 c CA -0.634 55.746 56.329 0.084 0.000 2.035 375 c CB -0.692 41.810 42.510 -0.014 0.000 2.673 375 c HN 0.293 nan 8.230 nan 0.000 0.602 376 L N 3.203 124.455 121.223 0.048 0.000 2.341 376 L HA 0.549 4.889 4.340 -0.000 0.000 0.278 376 L C -0.389 176.417 176.870 -0.107 0.000 1.005 376 L CA -0.517 54.298 54.840 -0.042 0.000 0.818 376 L CB 1.194 43.203 42.059 -0.083 0.000 1.259 376 L HN 0.347 nan 8.230 nan 0.000 0.418 377 V N 4.867 124.708 119.914 -0.122 0.000 2.385 377 V HA 0.305 4.425 4.120 -0.000 0.000 0.269 377 V C 0.062 176.084 176.094 -0.121 0.000 1.043 377 V CA -0.189 62.016 62.300 -0.159 0.000 0.906 377 V CB 1.201 32.888 31.823 -0.227 0.000 0.995 377 V HN 0.485 nan 8.190 nan 0.000 0.467 378 L N 8.752 129.872 121.223 -0.171 0.000 2.324 378 L HA 0.458 4.798 4.340 -0.000 0.000 0.274 378 L C -2.307 174.417 176.870 -0.243 0.000 1.012 378 L CA -1.530 53.178 54.840 -0.219 0.000 0.859 378 L CB 2.050 43.909 42.059 -0.333 0.000 1.224 378 L HN 0.431 nan 8.230 nan 0.000 0.429 379 P HA 0.219 nan 4.420 nan 0.000 0.282 379 P C -0.699 176.500 177.300 -0.169 0.000 1.249 379 P CA -0.395 62.694 63.100 -0.018 0.000 0.806 379 P CB 1.037 32.846 31.700 0.183 0.000 0.984 380 F N 0.330 120.231 119.950 -0.080 0.000 2.410 380 F HA 0.170 4.697 4.527 -0.000 0.000 0.334 380 F C 1.757 177.476 175.800 -0.136 0.000 1.134 380 F CA 0.363 58.264 58.000 -0.165 0.000 1.227 380 F CB 0.556 39.412 39.000 -0.240 0.000 1.194 380 F HN 0.193 nan 8.300 nan 0.000 0.571 381 S N 1.718 117.454 115.700 0.060 0.000 2.528 381 S HA 0.107 4.577 4.470 -0.000 0.000 0.277 381 S C 0.874 175.429 174.600 -0.076 0.000 1.297 381 S CA -0.801 57.373 58.200 -0.043 0.000 1.052 381 S CB 0.156 63.311 63.200 -0.076 0.000 0.917 381 S HN 0.564 nan 8.310 nan 0.000 0.492 382 N N 3.671 122.288 118.700 -0.138 0.000 2.571 382 N HA -0.002 4.738 4.740 -0.000 0.000 0.189 382 N C 0.367 175.765 175.510 -0.186 0.000 1.154 382 N CA 0.366 53.289 53.050 -0.212 0.000 0.907 382 N CB -0.032 38.089 38.487 -0.611 0.000 0.977 382 N HN 0.602 nan 8.380 nan 0.000 0.449 383 D N 0.018 120.319 120.400 -0.165 0.000 2.348 383 D HA 0.050 4.690 4.640 -0.000 0.000 0.211 383 D C 1.088 177.335 176.300 -0.090 0.000 0.998 383 D CA 0.555 54.468 54.000 -0.144 0.000 0.873 383 D CB 0.450 41.154 40.800 -0.161 0.000 0.925 383 D HN 0.433 nan 8.370 nan 0.000 0.524 384 Q N -0.732 118.913 119.800 -0.259 0.000 2.211 384 Q HA 0.218 4.558 4.340 -0.000 0.000 0.242 384 Q C 0.053 175.422 176.000 -1.051 0.000 0.825 384 Q CA 0.095 55.529 55.803 -0.615 0.000 0.951 384 Q CB 2.456 30.971 28.738 -0.371 0.000 1.130 384 Q HN -0.074 nan 8.270 nan 0.000 0.496 385 V N 0.950 120.525 119.914 -0.565 0.000 3.040 385 V HA 0.386 4.506 4.120 -0.000 0.000 0.312 385 V C -0.271 175.900 176.094 0.128 0.000 1.115 385 V CA -0.846 61.204 62.300 -0.416 0.000 0.998 385 V CB 2.451 33.928 31.823 -0.576 0.000 1.042 385 V HN 0.114 nan 8.190 nan 0.000 0.433 386 L N 1.512 122.839 121.223 0.175 0.000 2.642 386 L HA 0.477 4.817 4.340 -0.000 0.000 0.229 386 L C 0.632 177.482 176.870 -0.033 0.000 1.179 386 L CA -0.540 54.369 54.840 0.115 0.000 0.834 386 L CB 0.444 42.484 42.059 -0.030 0.000 1.515 386 L HN 0.618 nan 8.230 nan 0.000 0.512 387 M N 0.807 120.175 119.600 -0.387 0.000 2.245 387 M HA 0.053 4.533 4.480 -0.000 0.000 0.335 387 M C 0.564 176.857 176.300 -0.011 0.000 1.155 387 M CA 0.202 55.339 55.300 -0.272 0.000 1.055 387 M CB 0.487 32.893 32.600 -0.324 0.000 1.670 387 M HN 0.615 nan 8.290 nan 0.000 0.447 388 G N 3.477 112.362 108.800 0.141 0.000 2.464 388 G HA2 0.390 4.350 3.960 -0.000 0.000 0.231 388 G HA3 0.390 4.350 3.960 -0.000 0.000 0.231 388 G C -0.579 174.419 174.900 0.163 0.000 1.267 388 G CA 0.105 45.354 45.100 0.249 0.000 0.863 388 G HN 1.144 nan 8.290 nan 0.000 0.559 389 A N 1.708 124.539 122.820 0.020 0.000 2.511 389 A HA 0.658 4.978 4.320 -0.000 0.000 0.293 389 A C -0.273 176.891 177.584 -0.700 0.000 1.098 389 A CA -0.754 51.041 52.037 -0.403 0.000 0.643 389 A CB 0.506 19.363 19.000 -0.237 0.000 1.302 389 A HN 0.694 nan 8.150 nan 0.000 0.446 390 E N -0.606 119.145 120.200 -0.748 0.000 2.425 390 E HA 0.426 4.776 4.350 -0.000 0.000 0.258 390 E C 0.418 177.014 176.600 -0.008 0.000 1.151 390 E CA 0.799 57.031 56.400 -0.280 0.000 0.958 390 E CB 0.680 30.408 29.700 0.047 0.000 0.968 390 E HN 1.059 nan 8.360 nan 0.000 0.451 391 G N 0.262 109.220 108.800 0.264 0.000 2.606 391 G HA2 0.519 4.479 3.960 -0.000 0.000 0.300 391 G HA3 0.519 4.479 3.960 -0.000 0.000 0.300 391 G C -1.590 173.607 174.900 0.496 0.000 1.360 391 G CA -0.808 44.422 45.100 0.217 0.000 0.783 391 G HN 0.421 nan 8.290 nan 0.000 0.484 392 R N -0.665 120.103 120.500 0.447 0.000 2.668 392 R HA 0.650 4.990 4.340 -0.000 0.000 0.272 392 R C -1.609 174.935 176.300 0.407 0.000 1.019 392 R CA -0.754 55.590 56.100 0.408 0.000 0.894 392 R CB 1.704 32.187 30.300 0.304 0.000 1.228 392 R HN 0.443 nan 8.270 nan 0.000 0.460 393 L N 3.888 125.277 121.223 0.277 0.000 2.317 393 L HA 0.559 4.899 4.340 -0.000 0.000 0.281 393 L C -1.103 175.814 176.870 0.079 0.000 1.024 393 L CA -0.787 54.244 54.840 0.318 0.000 0.810 393 L CB 1.365 43.579 42.059 0.258 0.000 1.240 393 L HN 0.623 nan 8.230 nan 0.000 0.427 394 Y N 1.925 122.331 120.300 0.177 0.000 2.659 394 Y HA 0.664 5.214 4.550 -0.000 0.000 0.333 394 Y C -0.241 175.601 175.900 -0.098 0.000 1.064 394 Y CA -0.992 57.089 58.100 -0.032 0.000 1.141 394 Y CB 2.020 40.344 38.460 -0.228 0.000 1.316 394 Y HN 0.398 nan 8.280 nan 0.000 0.509 395 M N 1.495 121.003 119.600 -0.153 0.000 2.165 395 M HA 0.443 4.923 4.480 -0.000 0.000 0.283 395 M C -2.387 173.644 176.300 -0.448 0.000 0.978 395 M CA -0.413 54.808 55.300 -0.132 0.000 0.948 395 M CB 0.942 33.538 32.600 -0.007 0.000 1.599 395 M HN 0.515 nan 8.290 nan 0.000 0.450 396 Y N 4.354 124.554 120.300 -0.166 0.000 2.447 396 Y HA 0.648 5.198 4.550 -0.000 0.000 0.325 396 Y C 0.962 176.732 175.900 -0.217 0.000 0.976 396 Y CA 0.148 57.945 58.100 -0.506 0.000 1.280 396 Y CB 1.170 38.895 38.460 -1.225 0.000 1.104 396 Y HN 0.974 nan 8.280 nan 0.000 0.486 397 G N 2.511 111.301 108.800 -0.017 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 0.607 175.580 174.900 0.122 0.000 1.169 397 G CA 0.602 45.745 45.100 0.072 0.000 0.980 397 G HN 0.534 nan 8.290 nan 0.000 0.550 398 D N 1.257 121.754 120.400 0.161 0.000 2.339 398 D HA 0.255 4.895 4.640 -0.000 0.000 0.217 398 D C 0.898 177.350 176.300 0.253 0.000 1.050 398 D CA 0.876 54.997 54.000 0.201 0.000 0.856 398 D CB 0.257 41.154 40.800 0.161 0.000 0.922 398 D HN 0.276 nan 8.370 nan 0.000 0.518 399 S N 0.516 116.363 115.700 0.245 0.000 2.525 399 S HA 0.349 4.819 4.470 -0.000 0.000 0.278 399 S C 0.249 175.009 174.600 0.268 0.000 1.234 399 S CA -0.671 57.688 58.200 0.266 0.000 1.058 399 S CB 2.530 65.987 63.200 0.429 0.000 0.983 399 S HN -0.143 nan 8.310 nan 0.000 0.495 400 V N 3.839 123.808 119.914 0.091 0.000 2.509 400 V HA 0.415 4.535 4.120 -0.000 0.000 0.284 400 V C -0.933 175.287 176.094 0.211 0.000 1.047 400 V CA -0.383 61.960 62.300 0.071 0.000 0.952 400 V CB 0.448 32.142 31.823 -0.214 0.000 0.988 400 V HN 0.779 nan 8.190 nan 0.000 0.469 401 Y N 3.006 123.454 120.300 0.246 0.000 2.570 401 Y HA 0.626 5.176 4.550 -0.000 0.000 0.345 401 Y C -0.697 175.498 175.900 0.491 0.000 1.014 401 Y CA -0.863 57.447 58.100 0.350 0.000 1.063 401 Y CB 2.079 40.762 38.460 0.371 0.000 1.272 401 Y HN 0.612 nan 8.280 nan 0.000 0.477 402 Y N 2.554 123.117 120.300 0.440 0.000 2.425 402 Y HA 0.466 5.016 4.550 -0.000 0.000 0.344 402 Y C -1.906 174.282 175.900 0.480 0.000 0.969 402 Y CA -1.794 56.562 58.100 0.428 0.000 1.052 402 Y CB 1.108 39.712 38.460 0.239 0.000 1.215 402 Y HN 0.550 nan 8.280 nan 0.000 0.451 403 Y N 5.925 126.140 120.300 -0.142 0.000 2.352 403 Y HA 0.519 5.069 4.550 0.000 0.000 0.339 403 Y C -1.084 174.362 175.900 -0.757 0.000 0.992 403 Y CA -0.674 57.270 58.100 -0.259 0.000 1.100 403 Y CB 1.312 39.808 38.460 0.060 0.000 1.192 403 Y HN 0.719 nan 8.280 nan 0.000 0.458 404 Q N 6.961 125.905 119.800 -1.426 0.000 2.325 404 Q HA 0.345 4.685 4.340 -0.000 0.000 0.270 404 Q C -0.818 174.451 176.000 -1.219 0.000 1.020 404 Q CA -1.085 54.027 55.803 -1.151 0.000 0.785 404 Q CB 1.151 29.609 28.738 -0.467 0.000 1.259 404 Q HN 0.916 nan 8.270 nan 0.000 0.452 405 R N 2.272 122.207 120.500 -0.941 0.000 2.585 405 R HA 0.087 4.427 4.340 -0.000 0.000 0.275 405 R C -0.863 175.222 176.300 -0.358 0.000 1.018 405 R CA 0.381 56.150 56.100 -0.552 0.000 1.072 405 R CB 0.547 30.678 30.300 -0.281 0.000 0.953 405 R HN 0.530 nan 8.270 nan 0.000 0.419 406 S N 3.855 119.398 115.700 -0.260 0.000 3.363 406 S HA 0.063 4.533 4.470 -0.000 0.000 0.267 406 S C 0.148 174.643 174.600 -0.174 0.000 1.288 406 S CA -0.429 57.639 58.200 -0.219 0.000 0.948 406 S CB 0.263 63.331 63.200 -0.221 0.000 1.397 406 S HN 0.628 nan 8.310 nan 0.000 0.493 407 N N 1.319 119.919 118.700 -0.168 0.000 2.230 407 N HA 0.187 4.927 4.740 -0.000 0.000 0.202 407 N C 0.624 176.029 175.510 -0.174 0.000 1.119 407 N CA 0.041 53.015 53.050 -0.126 0.000 0.851 407 N CB 0.450 38.890 38.487 -0.079 0.000 0.990 407 N HN 0.411 nan 8.380 nan 0.000 0.497 408 S N -1.475 114.094 115.700 -0.219 0.000 2.702 408 S HA 0.260 4.730 4.470 -0.000 0.000 0.272 408 S C 0.976 175.479 174.600 -0.161 0.000 1.068 408 S CA -0.701 57.347 58.200 -0.253 0.000 0.964 408 S CB -0.183 62.825 63.200 -0.320 0.000 1.307 408 S HN 0.366 nan 8.310 nan 0.000 0.567 409 W N 0.435 121.674 121.300 -0.102 0.000 2.409 409 W HA 0.086 4.746 4.660 0.000 0.000 0.299 409 W C 0.906 177.488 176.519 0.105 0.000 1.203 409 W CA -0.259 57.077 57.345 -0.016 0.000 1.298 409 W CB -1.047 28.413 29.460 -0.001 0.000 1.127 409 W HN 0.473 nan 8.180 nan 0.000 0.528 410 W N 6.545 127.350 121.300 -0.826 0.000 2.419 410 W HA 0.080 4.740 4.660 0.000 0.000 0.312 410 W C -1.584 174.727 176.519 -0.347 0.000 1.323 410 W CA -1.776 55.178 57.345 -0.652 0.000 1.293 410 W CB 0.874 29.687 29.460 -1.079 0.000 1.324 410 W HN -0.202 nan 8.180 nan 0.000 0.512 411 P HA -0.001 nan 4.420 nan 0.000 0.257 411 P C 0.203 177.140 177.300 -0.606 0.000 1.281 411 P CA 0.501 63.310 63.100 -0.485 0.000 0.826 411 P CB 0.324 31.825 31.700 -0.331 0.000 1.237 412 M N -0.273 118.711 119.600 -1.026 0.000 2.409 412 M HA 0.257 4.737 4.480 -0.000 0.000 0.329 412 M C 0.535 176.627 176.300 -0.347 0.000 1.180 412 M CA -0.527 54.361 55.300 -0.687 0.000 1.053 412 M CB 0.091 32.217 32.600 -0.790 0.000 1.586 412 M HN -0.316 nan 8.290 nan 0.000 0.461 413 T N 3.498 117.935 114.554 -0.196 0.000 2.849 413 T HA 0.088 4.438 4.350 -0.000 0.000 0.289 413 T C 0.240 174.842 174.700 -0.164 0.000 1.010 413 T CA 0.320 62.350 62.100 -0.117 0.000 1.161 413 T CB -0.145 68.639 68.868 -0.139 0.000 0.989 413 T HN 0.327 nan 8.240 nan 0.000 0.523 414 M N 4.926 124.422 119.600 -0.174 0.000 2.072 414 M HA 0.427 4.907 4.480 -0.000 0.000 0.331 414 M C -0.701 175.370 176.300 -0.381 0.000 1.004 414 M CA -0.329 54.779 55.300 -0.320 0.000 0.952 414 M CB 0.772 33.205 32.600 -0.277 0.000 1.511 414 M HN 0.450 nan 8.290 nan 0.000 0.422 415 L N 4.174 125.112 121.223 -0.475 0.000 2.362 415 L HA 0.661 5.001 4.340 -0.000 0.000 0.271 415 L C -1.432 175.242 176.870 -0.328 0.000 1.002 415 L CA -0.855 53.841 54.840 -0.240 0.000 0.818 415 L CB 2.019 43.984 42.059 -0.157 0.000 1.298 415 L HN 0.504 nan 8.230 nan 0.000 0.420 416 Y N 0.460 120.825 120.300 0.109 0.000 2.524 416 Y HA 0.385 4.935 4.550 -0.000 0.000 0.347 416 Y C -0.308 175.493 175.900 -0.165 0.000 1.005 416 Y CA -1.072 57.044 58.100 0.028 0.000 1.025 416 Y CB 1.908 40.325 38.460 -0.072 0.000 1.275 416 Y HN 0.384 nan 8.280 nan 0.000 0.460 417 K N 2.345 122.614 120.400 -0.218 0.000 2.262 417 K HA 0.596 4.916 4.320 -0.000 0.000 0.282 417 K C -1.409 174.990 176.600 -0.336 0.000 1.066 417 K CA -0.354 55.456 56.287 -0.796 0.000 0.901 417 K CB 0.579 32.705 32.500 -0.623 0.000 1.089 417 K HN 0.579 nan 8.250 nan 0.000 0.476 418 V N 3.953 123.721 119.914 -0.245 0.000 2.439 418 V HA 0.200 4.320 4.120 -0.000 0.000 0.282 418 V C -0.066 175.952 176.094 -0.126 0.000 1.039 418 V CA -0.588 61.656 62.300 -0.093 0.000 0.913 418 V CB 1.549 33.378 31.823 0.010 0.000 0.983 418 V HN 0.799 nan 8.190 nan 0.000 0.460 419 T N 6.623 121.113 114.554 -0.107 0.000 2.756 419 T HA 0.599 4.949 4.350 -0.000 0.000 0.290 419 T C -0.179 174.469 174.700 -0.087 0.000 0.985 419 T CA -0.059 61.990 62.100 -0.085 0.000 0.955 419 T CB 0.428 69.249 68.868 -0.079 0.000 0.930 419 T HN 0.386 nan 8.240 nan 0.000 0.451 420 I N 3.045 123.583 120.570 -0.054 0.000 2.359 420 I HA 0.317 4.487 4.170 -0.000 0.000 0.294 420 I C 0.516 176.663 176.117 0.050 0.000 0.987 420 I CA -0.604 60.655 61.300 -0.068 0.000 1.225 420 I CB 1.549 39.507 38.000 -0.070 0.000 1.366 420 I HN 0.442 nan 8.210 nan 0.000 0.466 421 T N 5.959 120.467 114.554 -0.077 0.000 2.795 421 T HA 0.531 4.881 4.350 -0.000 0.000 0.282 421 T C -0.592 174.051 174.700 -0.096 0.000 0.980 421 T CA -0.248 61.851 62.100 -0.002 0.000 1.012 421 T CB 0.617 69.449 68.868 -0.060 0.000 0.936 421 T HN 0.093 nan 8.240 nan 0.000 0.457 422 F N 1.544 121.434 119.950 -0.101 0.000 2.469 422 F HA 0.497 5.024 4.527 -0.000 0.000 0.332 422 F C 0.774 176.525 175.800 -0.083 0.000 1.103 422 F CA -0.783 57.145 58.000 -0.120 0.000 0.979 422 F CB 2.040 40.973 39.000 -0.112 0.000 1.137 422 F HN 0.352 nan 8.300 nan 0.000 0.463 423 T N 2.749 117.337 114.554 0.057 0.000 2.892 423 T HA 0.273 4.623 4.350 -0.000 0.000 0.311 423 T C -0.362 174.371 174.700 0.054 0.000 1.033 423 T CA -0.923 61.198 62.100 0.035 0.000 0.991 423 T CB 0.158 69.016 68.868 -0.016 0.000 0.981 423 T HN 0.716 nan 8.240 nan 0.000 0.457 424 N N 2.131 120.875 118.700 0.073 0.000 2.783 424 N HA -0.204 4.536 4.740 -0.000 0.000 0.247 424 N C 0.957 176.543 175.510 0.127 0.000 1.089 424 N CA 0.435 53.531 53.050 0.077 0.000 0.690 424 N CB -0.994 37.527 38.487 0.056 0.000 0.991 424 N HN 1.161 nan 8.380 nan 0.000 0.552 425 G N -0.638 108.267 108.800 0.175 0.000 2.153 425 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.252 425 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.252 425 G C -0.231 174.916 174.900 0.412 0.000 0.994 425 G CA 0.715 45.979 45.100 0.273 0.000 0.698 425 G HN 0.522 nan 8.290 nan 0.000 0.521 426 Q N -0.405 119.528 119.800 0.223 0.000 2.356 426 Q HA 0.370 4.710 4.340 -0.000 0.000 0.270 426 Q C -2.853 172.805 176.000 -0.570 0.000 1.058 426 Q CA -2.132 53.606 55.803 -0.108 0.000 0.802 426 Q CB 2.811 31.543 28.738 -0.010 0.000 1.303 426 Q HN 0.061 nan 8.270 nan 0.000 0.444 427 P HA -0.076 nan 4.420 nan 0.000 0.262 427 P C 0.113 177.016 177.300 -0.663 0.000 1.199 427 P CA 0.661 62.976 63.100 -1.310 0.000 0.763 427 P CB 0.641 31.591 31.700 -1.249 0.000 0.790 428 S N 2.756 118.163 115.700 -0.488 0.000 2.524 428 S HA 0.566 5.036 4.470 -0.000 0.000 0.222 428 S C 0.494 174.949 174.600 -0.243 0.000 1.040 428 S CA 0.171 58.201 58.200 -0.283 0.000 0.915 428 S CB 0.311 63.405 63.200 -0.177 0.000 0.831 428 S HN 0.530 nan 8.310 nan 0.000 0.492 429 A N 1.177 123.832 122.820 -0.275 0.000 2.594 429 A HA 0.662 4.982 4.320 -0.000 0.000 0.296 429 A C -1.288 176.144 177.584 -0.254 0.000 1.056 429 A CA -0.988 50.910 52.037 -0.232 0.000 0.693 429 A CB 0.610 19.515 19.000 -0.158 0.000 1.278 429 A HN 0.844 nan 8.150 nan 0.000 0.408 430 I N -1.195 119.211 120.570 -0.274 0.000 2.569 430 I HA 0.886 5.056 4.170 -0.000 0.000 0.296 430 I C -0.359 175.656 176.117 -0.171 0.000 1.028 430 I CA -0.650 60.482 61.300 -0.280 0.000 1.082 430 I CB 2.222 39.924 38.000 -0.496 0.000 1.264 430 I HN 0.505 nan 8.210 nan 0.000 0.429 431 S N 3.582 119.223 115.700 -0.097 0.000 2.521 431 S HA 0.873 5.343 4.470 -0.000 0.000 0.295 431 S C -0.743 173.845 174.600 -0.020 0.000 1.098 431 S CA -0.416 57.752 58.200 -0.054 0.000 0.999 431 S CB 1.618 64.768 63.200 -0.083 0.000 1.034 431 S HN 1.006 nan 8.310 nan 0.000 0.483 432 A N 3.705 126.499 122.820 -0.043 0.000 2.330 432 A HA 0.672 4.992 4.320 -0.000 0.000 0.313 432 A C -0.683 176.835 177.584 -0.110 0.000 1.124 432 A CA -0.612 51.356 52.037 -0.115 0.000 0.774 432 A CB 1.228 19.973 19.000 -0.425 0.000 1.198 432 A HN 0.778 nan 8.150 nan 0.000 0.465 433 Q N 2.838 122.595 119.800 -0.070 0.000 2.368 433 Q HA 0.219 4.559 4.340 -0.000 0.000 0.263 433 Q C -0.681 175.403 176.000 0.140 0.000 1.009 433 Q CA -0.525 55.231 55.803 -0.078 0.000 0.818 433 Q CB 0.804 29.304 28.738 -0.396 0.000 1.239 433 Q HN 0.879 nan 8.270 nan 0.000 0.464 434 N N 3.068 121.889 118.700 0.202 0.000 2.530 434 N HA 0.085 4.825 4.740 -0.000 0.000 0.273 434 N C -0.880 174.756 175.510 0.209 0.000 1.173 434 N CA -0.119 52.970 53.050 0.065 0.000 0.967 434 N CB 1.030 39.539 38.487 0.037 0.000 1.109 434 N HN 0.366 nan 8.380 nan 0.000 0.453 435 V N 6.273 126.217 119.914 0.049 0.000 2.356 435 V HA 0.192 4.312 4.120 -0.000 0.000 0.258 435 V C -1.789 174.264 176.094 -0.069 0.000 1.065 435 V CA -1.348 60.923 62.300 -0.049 0.000 0.935 435 V CB 0.619 32.340 31.823 -0.170 0.000 1.061 435 V HN 0.660 nan 8.190 nan 0.000 0.484 436 P HA 0.121 nan 4.420 nan 0.000 0.261 436 P C -0.120 177.192 177.300 0.019 0.000 1.203 436 P CA 0.552 63.657 63.100 0.009 0.000 0.767 436 P CB 0.574 32.287 31.700 0.022 0.000 0.785 437 T N 0.061 114.657 114.554 0.070 0.000 2.816 437 T HA 0.452 4.802 4.350 -0.000 0.000 0.299 437 T C -0.016 174.822 174.700 0.230 0.000 1.230 437 T CA -0.649 61.523 62.100 0.119 0.000 1.007 437 T CB 1.895 70.820 68.868 0.094 0.000 1.289 437 T HN 0.453 nan 8.240 nan 0.000 0.508 438 Q N -0.184 119.722 119.800 0.177 0.000 2.055 438 Q HA 0.373 4.713 4.340 -0.000 0.000 0.226 438 Q C -0.525 175.466 176.000 -0.015 0.000 0.805 438 Q CA -0.780 55.121 55.803 0.164 0.000 1.072 438 Q CB 0.617 29.470 28.738 0.191 0.000 1.219 438 Q HN 0.360 nan 8.270 nan 0.000 0.451 439 Q N 0.789 120.597 119.800 0.014 0.000 2.345 439 Q HA 0.493 4.833 4.340 -0.000 0.000 0.268 439 Q C -0.562 175.370 176.000 -0.113 0.000 1.054 439 Q CA -0.762 55.004 55.803 -0.062 0.000 0.835 439 Q CB 2.364 31.080 28.738 -0.037 0.000 1.339 439 Q HN 0.245 nan 8.270 nan 0.000 0.447 440 V N 2.477 122.172 119.914 -0.365 0.000 3.765 440 V HA -0.148 3.972 4.120 -0.000 0.000 0.447 440 V C -2.227 173.645 176.094 -0.371 0.000 0.680 440 V CA -0.083 61.852 62.300 -0.608 0.000 1.894 440 V CB -0.890 30.563 31.823 -0.617 0.000 2.321 440 V HN 0.680 nan 8.190 nan 0.000 0.492 441 P HA 0.555 nan 4.420 nan 0.000 0.279 441 P C -0.880 176.402 177.300 -0.030 0.000 1.276 441 P CA -0.458 62.524 63.100 -0.196 0.000 0.801 441 P CB 1.382 32.986 31.700 -0.160 0.000 1.127 442 R N 0.714 121.186 120.500 -0.047 0.000 2.686 442 R HA 0.448 4.788 4.340 -0.000 0.000 0.283 442 R C -2.988 173.317 176.300 0.008 0.000 0.978 442 R CA -2.466 53.650 56.100 0.026 0.000 0.897 442 R CB 1.349 31.651 30.300 0.002 0.000 1.192 442 R HN 0.263 nan 8.270 nan 0.000 0.457 443 P HA 0.168 nan 4.420 nan 0.000 0.267 443 P C -0.385 176.925 177.300 0.016 0.000 1.205 443 P CA 0.234 63.348 63.100 0.023 0.000 0.765 443 P CB 1.036 32.759 31.700 0.038 0.000 0.828 444 G N 1.386 110.186 108.800 -0.000 0.000 3.042 444 G HA2 0.553 4.513 3.960 -0.000 0.000 0.278 444 G HA3 0.553 4.513 3.960 -0.000 0.000 0.278 444 G C -1.295 173.603 174.900 -0.004 0.000 1.371 444 G CA -0.476 44.620 45.100 -0.007 0.000 1.009 444 G HN 0.468 nan 8.290 nan 0.000 0.523 445 T N -1.274 113.273 114.554 -0.012 0.000 2.888 445 T HA 0.581 4.931 4.350 -0.000 0.000 0.284 445 T C 1.067 175.757 174.700 -0.016 0.000 1.017 445 T CA 1.495 63.586 62.100 -0.014 0.000 1.022 445 T CB 0.619 69.472 68.868 -0.024 0.000 1.013 445 T HN 2.139 nan 8.240 nan 0.000 0.465 446 G N 4.044 112.837 108.800 -0.012 0.000 2.591 446 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.298 446 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.298 446 G C 0.290 175.191 174.900 0.002 0.000 1.195 446 G CA 0.525 45.621 45.100 -0.007 0.000 0.989 446 G HN 0.747 nan 8.290 nan 0.000 0.551 447 D N 0.807 121.212 120.400 0.009 0.000 2.352 447 D HA 0.259 4.899 4.640 -0.000 0.000 0.236 447 D C 0.827 177.147 176.300 0.033 0.000 1.148 447 D CA 0.857 54.870 54.000 0.021 0.000 0.844 447 D CB -0.399 40.417 40.800 0.026 0.000 0.933 447 D HN 0.442 nan 8.370 nan 0.000 0.507 448 c N 0.939 119.550 118.600 0.018 0.000 2.913 448 c HA 0.198 4.768 4.570 -0.000 0.000 0.246 448 c C 1.309 175.396 174.090 -0.004 0.000 1.857 448 c CA -0.958 55.382 56.329 0.019 0.000 1.690 448 c CB -1.233 41.275 42.510 -0.003 0.000 3.235 448 c HN 0.193 nan 8.230 nan 0.000 0.475 449 S N 1.299 116.997 115.700 -0.003 0.000 2.640 449 S HA 0.566 5.036 4.470 -0.000 0.000 0.262 449 S C 1.405 175.985 174.600 -0.033 0.000 1.232 449 S CA 0.397 58.589 58.200 -0.014 0.000 0.988 449 S CB 0.640 63.835 63.200 -0.008 0.000 1.034 449 S HN 0.578 nan 8.310 nan 0.000 0.569 450 A N 0.339 123.136 122.820 -0.038 0.000 2.125 450 A HA 0.019 4.339 4.320 -0.000 0.000 0.219 450 A C 2.161 179.697 177.584 -0.080 0.000 1.156 450 A CA 1.704 53.700 52.037 -0.068 0.000 0.671 450 A CB -1.610 17.369 19.000 -0.036 0.000 0.794 450 A HN 1.108 nan 8.150 nan 0.000 0.459 451 T N -2.794 111.734 114.554 -0.042 0.000 3.081 451 T HA 0.079 4.429 4.350 -0.000 0.000 0.250 451 T C 0.674 175.373 174.700 -0.002 0.000 1.100 451 T CA 0.182 62.265 62.100 -0.028 0.000 1.038 451 T CB -0.556 68.306 68.868 -0.010 0.000 0.962 451 T HN 0.338 nan 8.240 nan 0.000 0.516 452 N N 1.300 120.006 118.700 0.010 0.000 2.479 452 N HA 0.176 4.916 4.740 -0.000 0.000 0.257 452 N C 0.835 176.434 175.510 0.149 0.000 1.232 452 N CA -0.190 52.907 53.050 0.078 0.000 0.920 452 N CB 0.487 39.034 38.487 0.100 0.000 1.105 452 N HN 0.052 nan 8.380 nan 0.000 0.444 453 R N 1.169 121.819 120.500 0.250 0.000 2.504 453 R HA 0.218 4.558 4.340 -0.000 0.000 0.341 453 R C -0.736 175.816 176.300 0.419 0.000 0.905 453 R CA -0.157 56.211 56.100 0.445 0.000 1.133 453 R CB -0.679 29.814 30.300 0.322 0.000 1.704 453 R HN 0.447 nan 8.270 nan 0.000 0.503 454 C N 2.826 122.265 119.300 0.232 0.000 2.355 454 C HA 0.517 4.977 4.460 -0.000 0.000 0.332 454 C C -2.228 172.611 174.990 -0.251 0.000 1.255 454 C CA -1.776 57.229 59.018 -0.022 0.000 1.792 454 C CB 1.930 29.640 27.740 -0.049 0.000 2.300 454 C HN 0.047 nan 8.230 nan 0.000 0.515 455 P HA 0.433 nan 4.420 nan 0.000 0.267 455 P C 0.201 177.097 177.300 -0.673 0.000 1.200 455 P CA 1.147 63.283 63.100 -1.607 0.000 0.772 455 P CB 0.466 31.310 31.700 -1.426 0.000 0.855 456 G N 1.068 109.563 108.800 -0.509 0.000 2.316 456 G HA2 0.274 4.234 3.960 -0.000 0.000 0.296 456 G HA3 0.274 4.234 3.960 -0.000 0.000 0.296 456 G C -2.018 172.927 174.900 0.075 0.000 1.399 456 G CA -0.781 44.255 45.100 -0.107 0.000 0.833 456 G HN 0.355 nan 8.290 nan 0.000 0.565 457 F N 0.894 120.872 119.950 0.046 0.000 2.445 457 F HA 0.637 5.164 4.527 -0.000 0.000 0.359 457 F C 0.328 176.174 175.800 0.076 0.000 1.101 457 F CA -0.286 57.765 58.000 0.085 0.000 1.177 457 F CB 0.418 39.463 39.000 0.075 0.000 1.110 457 F HN 0.518 nan 8.300 nan 0.000 0.522 458 c N 5.905 124.023 118.600 -0.803 0.000 2.889 458 c HA 0.666 5.236 4.570 -0.000 0.000 0.307 458 c C -0.577 173.049 174.090 -0.774 0.000 1.251 458 c CA -0.972 55.046 56.329 -0.518 0.000 1.593 458 c CB 1.604 44.004 42.510 -0.184 0.000 2.104 458 c HN 0.813 nan 8.230 nan 0.000 0.476 459 L N 2.521 123.516 121.223 -0.380 0.000 2.481 459 L HA 0.527 4.867 4.340 -0.000 0.000 0.263 459 L C -0.268 176.525 176.870 -0.129 0.000 1.537 459 L CA 0.689 55.378 54.840 -0.251 0.000 0.741 459 L CB 0.465 42.424 42.059 -0.167 0.000 0.974 459 L HN 0.886 nan 8.230 nan 0.000 0.519 460 T N -0.623 113.870 114.554 -0.102 0.000 2.853 460 T HA 0.899 5.249 4.350 -0.000 0.000 0.311 460 T C -0.461 174.222 174.700 -0.028 0.000 1.307 460 T CA 0.183 62.258 62.100 -0.042 0.000 1.019 460 T CB 1.699 70.540 68.868 -0.046 0.000 1.264 460 T HN 0.960 nan 8.240 nan 0.000 0.497 461 G N 0.795 109.605 108.800 0.017 0.000 2.350 461 G HA2 0.464 4.424 3.960 -0.000 0.000 0.282 461 G HA3 0.464 4.424 3.960 -0.000 0.000 0.282 461 G C -1.697 173.251 174.900 0.080 0.000 1.314 461 G CA 0.092 45.203 45.100 0.018 0.000 0.915 461 G HN 1.625 nan 8.290 nan 0.000 0.499 462 V N -1.894 118.060 119.914 0.067 0.000 3.147 462 V HA 0.710 4.830 4.120 -0.000 0.000 0.306 462 V C -0.979 175.116 176.094 0.002 0.000 1.209 462 V CA -1.164 61.209 62.300 0.120 0.000 1.023 462 V CB 1.728 33.666 31.823 0.191 0.000 1.059 462 V HN 1.414 nan 8.190 nan 0.000 0.435 463 Y N 1.891 121.975 120.300 -0.361 0.000 2.365 463 Y HA 0.702 5.252 4.550 0.000 0.000 0.340 463 Y C 0.233 176.026 175.900 -0.179 0.000 1.016 463 Y CA -0.192 57.648 58.100 -0.432 0.000 1.196 463 Y CB 0.925 38.700 38.460 -1.141 0.000 1.167 463 Y HN 1.054 nan 8.280 nan 0.000 0.509 464 A N 5.938 128.556 122.820 -0.337 0.000 3.005 464 A HA 0.308 4.628 4.320 -0.000 0.000 0.308 464 A C -1.058 176.173 177.584 -0.589 0.000 1.173 464 A CA -0.727 51.200 52.037 -0.182 0.000 0.796 464 A CB -0.400 18.648 19.000 0.081 0.000 1.325 464 A HN 0.845 nan 8.150 nan 0.000 0.467 465 D N 1.501 121.245 120.400 -1.093 0.000 2.384 465 D HA 0.653 5.293 4.640 -0.000 0.000 0.244 465 D C 0.259 176.299 176.300 -0.432 0.000 1.251 465 D CA 0.315 53.395 54.000 -1.533 0.000 0.961 465 D CB 1.001 41.165 40.800 -1.059 0.000 1.116 465 D HN 0.812 nan 8.370 nan 0.000 0.484 466 A N -0.477 122.203 122.820 -0.233 0.000 2.515 466 A HA 0.474 4.794 4.320 -0.000 0.000 0.298 466 A C -1.777 175.878 177.584 0.119 0.000 1.059 466 A CA -0.976 51.115 52.037 0.089 0.000 0.698 466 A CB 1.338 20.435 19.000 0.161 0.000 1.289 466 A HN 0.607 nan 8.150 nan 0.000 0.404 467 W N 4.190 125.540 121.300 0.084 0.000 2.429 467 W HA 0.558 5.218 4.660 0.000 0.000 0.314 467 W C -1.797 174.809 176.519 0.145 0.000 1.062 467 W CA -0.826 56.582 57.345 0.104 0.000 1.211 467 W CB 1.167 30.738 29.460 0.185 0.000 1.305 467 W HN 0.594 nan 8.180 nan 0.000 0.476 468 L N 7.400 128.448 121.223 -0.292 0.000 2.315 468 L HA 0.071 4.411 4.340 -0.000 0.000 0.283 468 L C 1.215 178.127 176.870 0.069 0.000 1.089 468 L CA -0.107 54.626 54.840 -0.179 0.000 0.833 468 L CB 0.828 42.551 42.059 -0.560 0.000 1.170 468 L HN 0.464 nan 8.230 nan 0.000 0.442 469 L N 2.042 123.466 121.223 0.336 0.000 2.509 469 L HA 0.128 4.468 4.340 -0.000 0.000 0.222 469 L C 0.669 177.762 176.870 0.371 0.000 1.123 469 L CA 0.556 55.698 54.840 0.504 0.000 0.856 469 L CB 0.033 42.421 42.059 0.548 0.000 0.985 469 L HN 0.582 nan 8.230 nan 0.000 0.456 470 T N -0.707 113.937 114.554 0.150 0.000 2.900 470 T HA 0.233 4.583 4.350 -0.000 0.000 0.295 470 T C -0.623 173.733 174.700 -0.573 0.000 1.044 470 T CA -0.591 61.474 62.100 -0.057 0.000 0.995 470 T CB 1.998 70.847 68.868 -0.031 0.000 1.072 470 T HN -0.127 nan 8.240 nan 0.000 0.473 471 N N 2.784 120.928 118.700 -0.928 0.000 2.442 471 N HA 0.237 4.977 4.740 -0.000 0.000 0.265 471 N C -1.913 173.118 175.510 -0.797 0.000 1.138 471 N CA -1.840 50.231 53.050 -1.632 0.000 0.956 471 N CB 1.571 39.372 38.487 -1.144 0.000 1.067 471 N HN 0.202 nan 8.380 nan 0.000 0.474 472 P HA 0.043 nan 4.420 nan 0.000 0.225 472 P C 0.520 177.591 177.300 -0.382 0.000 1.156 472 P CA 0.858 63.610 63.100 -0.580 0.000 0.787 472 P CB 0.395 31.633 31.700 -0.770 0.000 0.802 473 S N -1.385 114.251 115.700 -0.106 0.000 2.603 473 S HA 0.029 4.499 4.470 -0.000 0.000 0.220 473 S C 1.626 176.228 174.600 0.002 0.000 0.967 473 S CA 0.478 58.751 58.200 0.122 0.000 0.920 473 S CB -0.592 62.732 63.200 0.207 0.000 0.773 473 S HN 0.111 nan 8.310 nan 0.000 0.529 474 S N 1.840 117.474 115.700 -0.109 0.000 2.603 474 S HA 0.030 4.500 4.470 -0.000 0.000 0.220 474 S C 0.970 175.537 174.600 -0.056 0.000 0.967 474 S CA 0.208 58.359 58.200 -0.082 0.000 0.920 474 S CB -0.029 63.096 63.200 -0.125 0.000 0.773 474 S HN 0.750 nan 8.310 nan 0.000 0.529 475 T N -0.540 113.978 114.554 -0.059 0.000 2.888 475 T HA 0.395 4.745 4.350 -0.000 0.000 0.284 475 T C 1.258 175.959 174.700 0.000 0.000 1.017 475 T CA -0.326 61.750 62.100 -0.040 0.000 1.022 475 T CB 1.731 70.557 68.868 -0.070 0.000 1.013 475 T HN 0.046 nan 8.240 nan 0.000 0.465 476 S N 1.964 117.668 115.700 0.007 0.000 2.392 476 S HA -0.095 4.375 4.470 -0.000 0.000 0.232 476 S C 0.921 175.547 174.600 0.043 0.000 1.041 476 S CA 0.850 59.064 58.200 0.024 0.000 1.026 476 S CB -0.785 62.425 63.200 0.016 0.000 0.845 476 S HN 0.820 nan 8.310 nan 0.000 0.465 477 T N 2.882 117.458 114.554 0.037 0.000 2.772 477 T HA 0.439 4.789 4.350 -0.000 0.000 0.288 477 T C -0.599 174.150 174.700 0.081 0.000 0.994 477 T CA -0.705 61.434 62.100 0.065 0.000 0.951 477 T CB 0.432 69.325 68.868 0.041 0.000 0.933 477 T HN 0.295 nan 8.240 nan 0.000 0.447 478 F N 3.451 123.396 119.950 -0.009 0.000 2.500 478 F HA 0.241 4.768 4.527 -0.000 0.000 0.409 478 F C 1.443 177.236 175.800 -0.012 0.000 0.982 478 F CA 1.350 59.344 58.000 -0.011 0.000 1.163 478 F CB -0.147 38.853 39.000 -0.001 0.000 0.942 478 F HN 0.900 nan 8.300 nan 0.000 0.535 479 G N 3.612 111.957 108.800 -0.759 0.000 2.203 479 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.263 479 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.263 479 G C 1.154 175.906 174.900 -0.246 0.000 1.012 479 G CA 0.953 45.697 45.100 -0.593 0.000 0.749 479 G HN 1.327 nan 8.290 nan 0.000 0.512 480 S N -1.234 114.374 115.700 -0.153 0.000 2.419 480 S HA 0.059 4.529 4.470 -0.000 0.000 0.233 480 S C 0.834 175.393 174.600 -0.069 0.000 1.016 480 S CA 1.575 59.731 58.200 -0.075 0.000 0.974 480 S CB 0.322 63.496 63.200 -0.043 0.000 0.786 480 S HN 0.711 nan 8.310 nan 0.000 0.492 481 E N 0.430 120.573 120.200 -0.095 0.000 2.761 481 E HA 0.597 4.947 4.350 -0.000 0.000 0.266 481 E C -1.351 175.194 176.600 -0.092 0.000 1.097 481 E CA -0.340 56.017 56.400 -0.071 0.000 0.773 481 E CB 1.284 30.949 29.700 -0.059 0.000 1.453 481 E HN 0.487 nan 8.360 nan 0.000 0.388 482 A N 2.430 125.213 122.820 -0.061 0.000 2.337 482 A HA 0.745 5.065 4.320 -0.000 0.000 0.329 482 A C -0.361 177.274 177.584 0.085 0.000 1.146 482 A CA -0.473 51.540 52.037 -0.040 0.000 0.800 482 A CB 1.702 20.655 19.000 -0.078 0.000 1.220 482 A HN 0.358 nan 8.150 nan 0.000 0.472 483 T N 2.334 116.939 114.554 0.085 0.000 2.824 483 T HA 0.701 5.051 4.350 -0.000 0.000 0.282 483 T C -0.796 174.038 174.700 0.223 0.000 0.993 483 T CA -0.069 62.073 62.100 0.070 0.000 0.967 483 T CB 0.528 69.406 68.868 0.018 0.000 0.960 483 T HN 0.683 nan 8.240 nan 0.000 0.441 484 F N -0.743 119.250 119.950 0.072 0.000 2.664 484 F HA 0.907 5.434 4.527 -0.000 0.000 0.317 484 F C -0.352 175.528 175.800 0.134 0.000 1.108 484 F CA -1.154 56.911 58.000 0.109 0.000 0.957 484 F CB 1.483 40.523 39.000 0.068 0.000 1.365 484 F HN 0.498 nan 8.300 nan 0.000 0.475 485 T N -0.663 114.049 114.554 0.263 0.000 2.896 485 T HA 0.849 5.199 4.350 -0.000 0.000 0.297 485 T C -0.528 174.116 174.700 -0.094 0.000 1.108 485 T CA 0.082 62.138 62.100 -0.073 0.000 1.004 485 T CB 1.502 70.411 68.868 0.068 0.000 1.159 485 T HN 1.765 nan 8.240 nan 0.000 0.499 486 G N 1.345 109.873 108.800 -0.454 0.000 2.360 486 G HA2 0.495 4.455 3.960 -0.000 0.000 0.276 486 G HA3 0.495 4.455 3.960 -0.000 0.000 0.276 486 G C -1.144 173.725 174.900 -0.052 0.000 1.256 486 G CA 0.058 45.141 45.100 -0.029 0.000 0.890 486 G HN 1.432 nan 8.290 nan 0.000 0.486 487 S N -1.131 114.764 115.700 0.325 0.000 2.599 487 S HA 0.902 5.372 4.470 -0.000 0.000 0.287 487 S C -1.000 173.967 174.600 0.612 0.000 1.105 487 S CA -0.451 58.008 58.200 0.431 0.000 0.899 487 S CB 2.222 65.584 63.200 0.270 0.000 1.100 487 S HN 2.201 nan 8.310 nan 0.000 0.482 488 Y N -0.813 119.662 120.300 0.292 0.000 2.609 488 Y HA 0.673 5.223 4.550 -0.000 0.000 0.336 488 Y C -2.113 173.856 175.900 0.114 0.000 1.129 488 Y CA -1.814 56.392 58.100 0.176 0.000 1.040 488 Y CB 0.617 39.129 38.460 0.087 0.000 1.310 488 Y HN 0.685 nan 8.280 nan 0.000 0.460 489 L N 3.422 124.616 121.223 -0.049 0.000 2.268 489 L HA 0.330 4.670 4.340 -0.000 0.000 0.289 489 L C 0.352 177.036 176.870 -0.310 0.000 1.064 489 L CA -0.186 54.558 54.840 -0.160 0.000 0.824 489 L CB 0.571 42.639 42.059 0.015 0.000 1.202 489 L HN 0.778 nan 8.230 nan 0.000 0.433 490 N N 2.804 121.175 118.700 -0.550 0.000 2.671 490 N HA 0.096 4.836 4.740 -0.000 0.000 0.274 490 N C -0.575 174.847 175.510 -0.147 0.000 1.188 490 N CA 0.104 52.901 53.050 -0.421 0.000 1.065 490 N CB 0.293 38.501 38.487 -0.466 0.000 1.415 490 N HN 0.571 nan 8.380 nan 0.000 0.511 491 T N -0.064 114.451 114.554 -0.064 0.000 2.831 491 T HA 0.332 4.682 4.350 -0.000 0.000 0.333 491 T C 0.389 175.085 174.700 -0.007 0.000 1.684 491 T CA -0.110 61.972 62.100 -0.031 0.000 1.049 491 T CB 1.069 69.919 68.868 -0.030 0.000 1.518 491 T HN 0.283 nan 8.240 nan 0.000 0.491 492 A N 0.891 123.707 122.820 -0.006 0.000 1.898 492 A HA 0.148 4.468 4.320 -0.000 0.000 0.214 492 A C 1.918 179.501 177.584 -0.001 0.000 1.183 492 A CA 2.314 54.348 52.037 -0.005 0.000 0.622 492 A CB -0.592 18.404 19.000 -0.007 0.000 0.824 492 A HN 1.079 nan 8.150 nan 0.000 0.444 493 T N -4.280 110.275 114.554 0.002 0.000 2.986 493 T HA 0.293 4.643 4.350 -0.000 0.000 0.264 493 T C 0.591 175.302 174.700 0.018 0.000 0.964 493 T CA -0.225 61.880 62.100 0.008 0.000 0.895 493 T CB 0.035 68.905 68.868 0.004 0.000 1.163 493 T HN 0.392 nan 8.240 nan 0.000 0.517 494 Q N 0.856 120.666 119.800 0.017 0.000 2.205 494 Q HA 0.527 4.867 4.340 -0.000 0.000 0.249 494 Q C -0.411 175.613 176.000 0.040 0.000 0.948 494 Q CA -0.852 54.968 55.803 0.027 0.000 0.895 494 Q CB 1.629 30.377 28.738 0.016 0.000 1.249 494 Q HN 0.172 nan 8.270 nan 0.000 0.458 495 R N 1.393 121.932 120.500 0.063 0.000 3.657 495 R HA 0.313 4.653 4.340 -0.000 0.000 0.220 495 R C -0.878 175.464 176.300 0.070 0.000 1.548 495 R CA -0.077 56.077 56.100 0.091 0.000 1.465 495 R CB -0.238 30.148 30.300 0.143 0.000 1.330 495 R HN 0.361 nan 8.270 nan 0.000 0.707 496 I N 0.440 121.029 120.570 0.031 0.000 3.145 496 I HA 0.215 4.385 4.170 -0.000 0.000 0.313 496 I C -0.591 175.507 176.117 -0.031 0.000 1.122 496 I CA -0.774 60.531 61.300 0.007 0.000 0.987 496 I CB 1.756 39.753 38.000 -0.006 0.000 1.236 496 I HN 0.398 nan 8.210 nan 0.000 0.453 497 N N 1.977 120.655 118.700 -0.036 0.000 2.681 497 N HA -0.113 4.627 4.740 -0.000 0.000 0.259 497 N C -2.482 172.964 175.510 -0.106 0.000 1.066 497 N CA 0.153 53.157 53.050 -0.077 0.000 0.717 497 N CB -1.467 36.951 38.487 -0.115 0.000 0.885 497 N HN 0.309 nan 8.380 nan 0.000 0.547 498 P HA 0.065 nan 4.420 nan 0.000 0.264 498 P C -0.403 176.857 177.300 -0.066 0.000 1.193 498 P CA 0.596 63.690 63.100 -0.010 0.000 0.763 498 P CB 0.746 32.508 31.700 0.104 0.000 0.810 499 T N 4.232 118.717 114.554 -0.116 0.000 2.928 499 T HA 0.421 4.771 4.350 -0.000 0.000 0.296 499 T C 0.163 174.928 174.700 0.110 0.000 1.000 499 T CA -0.461 61.599 62.100 -0.067 0.000 0.989 499 T CB 0.927 69.689 68.868 -0.176 0.000 1.005 499 T HN 0.288 nan 8.240 nan 0.000 0.442 500 M N 3.682 123.252 119.600 -0.050 0.000 2.249 500 M HA 0.600 5.080 4.480 -0.000 0.000 0.351 500 M C -0.655 175.638 176.300 -0.013 0.000 1.180 500 M CA -0.447 54.727 55.300 -0.211 0.000 1.127 500 M CB 0.682 32.861 32.600 -0.703 0.000 1.546 500 M HN 0.824 nan 8.290 nan 0.000 0.461 501 Y N 0.496 120.778 120.300 -0.031 0.000 2.744 501 Y HA 0.861 5.411 4.550 0.000 0.000 0.330 501 Y C -1.802 174.093 175.900 -0.008 0.000 1.263 501 Y CA -1.621 56.470 58.100 -0.015 0.000 1.065 501 Y CB 1.231 39.693 38.460 0.003 0.000 1.306 501 Y HN 0.551 nan 8.280 nan 0.000 0.459 502 I N 1.689 122.331 120.570 0.121 0.000 2.619 502 I HA 0.845 5.015 4.170 -0.000 0.000 0.292 502 I C -0.802 175.330 176.117 0.026 0.000 1.100 502 I CA -1.097 60.205 61.300 0.003 0.000 1.043 502 I CB 2.057 40.031 38.000 -0.043 0.000 1.239 502 I HN 0.972 nan 8.210 nan 0.000 0.420 503 A N 4.301 126.980 122.820 -0.234 0.000 2.609 503 A HA 0.816 5.136 4.320 -0.000 0.000 0.291 503 A C -1.411 175.797 177.584 -0.626 0.000 1.096 503 A CA -0.687 51.079 52.037 -0.452 0.000 0.684 503 A CB 1.948 20.586 19.000 -0.603 0.000 1.282 503 A HN 0.778 nan 8.150 nan 0.000 0.412 504 N N -0.392 118.098 118.700 -0.350 0.000 2.813 504 N HA 0.299 5.039 4.740 -0.000 0.000 0.320 504 N C 0.129 175.631 175.510 -0.013 0.000 1.315 504 N CA -0.451 52.508 53.050 -0.152 0.000 0.871 504 N CB -0.170 38.269 38.487 -0.081 0.000 1.241 504 N HN 0.438 nan 8.380 nan 0.000 0.602 505 N N -1.467 117.291 118.700 0.096 0.000 2.192 505 N HA -0.173 4.567 4.740 -0.000 0.000 0.188 505 N C 1.035 176.589 175.510 0.073 0.000 1.013 505 N CA 2.389 55.519 53.050 0.133 0.000 0.863 505 N CB -0.435 38.093 38.487 0.069 0.000 0.990 505 N HN 0.860 nan 8.380 nan 0.000 0.430 506 T N -4.490 110.072 114.554 0.014 0.000 2.978 506 T HA 0.226 4.576 4.350 -0.000 0.000 0.248 506 T C 0.461 175.132 174.700 -0.047 0.000 1.018 506 T CA -0.150 61.947 62.100 -0.005 0.000 1.026 506 T CB 0.417 69.282 68.868 -0.005 0.000 1.032 506 T HN 0.025 nan 8.240 nan 0.000 0.485 507 Q N -0.134 119.619 119.800 -0.078 0.000 2.495 507 Q HA 0.607 4.947 4.340 -0.000 0.000 0.287 507 Q C -1.440 174.463 176.000 -0.161 0.000 1.078 507 Q CA -0.923 54.816 55.803 -0.108 0.000 0.793 507 Q CB 2.737 31.427 28.738 -0.079 0.000 1.459 507 Q HN 0.268 nan 8.270 nan 0.000 0.422 508 I N 2.974 123.445 120.570 -0.166 0.000 2.312 508 I HA 0.156 4.326 4.170 -0.000 0.000 0.291 508 I C 1.024 177.081 176.117 -0.101 0.000 1.031 508 I CA -0.014 61.181 61.300 -0.174 0.000 1.293 508 I CB 0.633 38.519 38.000 -0.190 0.000 1.403 508 I HN 0.663 nan 8.210 nan 0.000 0.484 509 I N 2.046 122.562 120.570 -0.091 0.000 3.883 509 I HA 0.295 4.465 4.170 -0.000 0.000 0.326 509 I C 0.450 176.537 176.117 -0.051 0.000 1.283 509 I CA 0.235 61.492 61.300 -0.071 0.000 1.161 509 I CB 0.441 38.391 38.000 -0.083 0.000 1.012 509 I HN 0.460 nan 8.210 nan 0.000 0.421 510 S N 0.623 116.307 115.700 -0.027 0.000 2.579 510 S HA 0.601 5.071 4.470 -0.000 0.000 0.290 510 S C -0.803 173.815 174.600 0.029 0.000 1.123 510 S CA 0.059 58.250 58.200 -0.016 0.000 0.894 510 S CB 1.349 64.527 63.200 -0.037 0.000 1.095 510 S HN 0.617 nan 8.310 nan 0.000 0.450 511 S N 3.405 119.116 115.700 0.019 0.000 2.565 511 S HA 0.692 5.162 4.470 -0.000 0.000 0.274 511 S C -1.762 172.837 174.600 -0.001 0.000 1.144 511 S CA -0.716 57.516 58.200 0.053 0.000 0.849 511 S CB 1.839 65.112 63.200 0.122 0.000 1.103 511 S HN 0.836 nan 8.310 nan 0.000 0.455 512 Q N 1.201 120.987 119.800 -0.023 0.000 2.334 512 Q HA 0.292 4.632 4.340 -0.000 0.000 0.249 512 Q C -1.376 174.582 176.000 -0.071 0.000 0.909 512 Q CA -0.200 55.568 55.803 -0.059 0.000 0.823 512 Q CB 1.948 30.633 28.738 -0.088 0.000 1.353 512 Q HN 0.843 nan 8.270 nan 0.000 0.433 513 Q N 3.067 122.828 119.800 -0.066 0.000 2.373 513 Q HA 0.228 4.568 4.340 -0.000 0.000 0.255 513 Q C -1.353 174.601 176.000 -0.077 0.000 0.980 513 Q CA -0.108 55.649 55.803 -0.077 0.000 0.882 513 Q CB 0.675 29.358 28.738 -0.092 0.000 1.249 513 Q HN 0.547 nan 8.270 nan 0.000 0.438 514 F N 3.410 123.241 119.950 -0.198 0.000 2.421 514 F HA 0.572 5.099 4.527 -0.000 0.000 0.337 514 F C 0.468 176.196 175.800 -0.120 0.000 1.105 514 F CA 0.992 58.864 58.000 -0.214 0.000 1.049 514 F CB 0.894 39.681 39.000 -0.355 0.000 1.139 514 F HN 0.830 nan 8.300 nan 0.000 0.479 515 G N 3.275 111.347 108.800 -1.213 0.000 2.750 515 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.228 515 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.228 515 G C -0.808 173.874 174.900 -0.363 0.000 1.367 515 G CA -0.478 44.150 45.100 -0.786 0.000 0.871 515 G HN 1.376 nan 8.290 nan 0.000 0.560 516 S N -0.842 114.715 115.700 -0.238 0.000 2.654 516 S HA 0.747 5.217 4.470 -0.000 0.000 0.283 516 S C 0.544 175.077 174.600 -0.112 0.000 1.180 516 S CA 0.287 58.395 58.200 -0.153 0.000 1.021 516 S CB 1.747 64.875 63.200 -0.121 0.000 1.018 516 S HN 1.586 nan 8.310 nan 0.000 0.532 517 S N 0.737 116.383 115.700 -0.090 0.000 2.558 517 S HA 0.442 4.912 4.470 -0.000 0.000 0.291 517 S C 1.486 176.052 174.600 -0.057 0.000 1.306 517 S CA 0.713 58.871 58.200 -0.070 0.000 1.056 517 S CB -0.017 63.147 63.200 -0.060 0.000 0.836 517 S HN 1.709 nan 8.310 nan 0.000 0.504 518 G N 1.715 110.487 108.800 -0.046 0.000 2.254 518 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.225 518 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.225 518 G C 0.081 174.965 174.900 -0.027 0.000 1.003 518 G CA 0.169 45.248 45.100 -0.034 0.000 0.622 518 G HN 0.749 nan 8.290 nan 0.000 0.507 519 Q N 2.226 122.008 119.800 -0.030 0.000 2.262 519 Q HA 0.398 4.738 4.340 -0.000 0.000 0.298 519 Q C 0.325 176.335 176.000 0.018 0.000 1.083 519 Q CA 0.676 56.475 55.803 -0.007 0.000 0.962 519 Q CB 0.068 28.806 28.738 0.000 0.000 1.104 519 Q HN 0.584 nan 8.270 nan 0.000 0.376 520 E N 1.823 122.030 120.200 0.012 0.000 2.343 520 E HA 0.611 4.961 4.350 -0.000 0.000 0.269 520 E C -1.003 175.646 176.600 0.081 0.000 1.047 520 E CA -0.073 56.343 56.400 0.027 0.000 0.874 520 E CB 1.154 30.837 29.700 -0.030 0.000 1.033 520 E HN 0.755 nan 8.360 nan 0.000 0.409 521 A N 1.121 124.033 122.820 0.153 0.000 2.557 521 A HA 0.814 5.134 4.320 -0.000 0.000 0.292 521 A C -1.108 176.671 177.584 0.324 0.000 1.139 521 A CA 0.121 52.309 52.037 0.252 0.000 0.665 521 A CB 1.246 20.372 19.000 0.211 0.000 1.285 521 A HN 0.641 nan 8.150 nan 0.000 0.433 522 A N -1.004 122.024 122.820 0.346 0.000 2.597 522 A HA 0.729 5.049 4.320 -0.000 0.000 0.191 522 A C -0.694 177.152 177.584 0.437 0.000 1.336 522 A CA -0.124 52.106 52.037 0.321 0.000 1.516 522 A CB -0.385 18.677 19.000 0.103 0.000 1.849 522 A HN 0.912 nan 8.150 nan 0.000 0.640 523 Y N 0.318 120.724 120.300 0.178 0.000 2.330 523 Y HA 0.479 5.029 4.550 0.000 0.000 0.341 523 Y C 0.985 177.072 175.900 0.313 0.000 1.278 523 Y CA -0.513 57.751 58.100 0.273 0.000 1.453 523 Y CB 0.039 38.644 38.460 0.241 0.000 1.342 523 Y HN 0.656 nan 8.280 nan 0.000 0.590 524 G N 0.820 109.951 108.800 0.552 0.000 2.733 524 G HA2 0.456 4.416 3.960 -0.000 0.000 0.289 524 G HA3 0.456 4.416 3.960 -0.000 0.000 0.289 524 G C -2.111 173.060 174.900 0.452 0.000 1.473 524 G CA -0.583 44.787 45.100 0.450 0.000 1.123 524 G HN 0.617 nan 8.290 nan 0.000 0.544 525 H N 0.722 119.978 119.070 0.310 0.000 2.539 525 H HA 0.607 5.163 4.556 0.000 0.000 0.332 525 H C -0.097 175.339 175.328 0.181 0.000 1.031 525 H CA -0.179 56.051 56.048 0.303 0.000 1.206 525 H CB 1.856 31.784 29.762 0.277 0.000 1.446 525 H HN 0.381 nan 8.280 nan 0.000 0.496 526 T N 3.209 117.920 114.554 0.262 0.000 2.823 526 T HA 0.561 4.911 4.350 -0.000 0.000 0.279 526 T C -0.243 174.559 174.700 0.170 0.000 0.998 526 T CA -0.681 61.454 62.100 0.057 0.000 0.994 526 T CB 1.170 70.028 68.868 -0.018 0.000 0.960 526 T HN 0.538 nan 8.240 nan 0.000 0.448 527 T N 1.972 116.469 114.554 -0.093 0.000 2.971 527 T HA 0.522 4.872 4.350 -0.000 0.000 0.304 527 T C -0.678 173.685 174.700 -0.561 0.000 1.038 527 T CA -0.515 61.480 62.100 -0.175 0.000 1.007 527 T CB 0.747 69.733 68.868 0.197 0.000 1.055 527 T HN 0.732 nan 8.240 nan 0.000 0.451 528 c N 3.177 120.980 118.600 -1.330 0.000 2.614 528 c HA 0.999 5.569 4.570 -0.000 0.000 0.320 528 c C -0.860 172.992 174.090 -0.395 0.000 1.200 528 c CA -1.034 54.760 56.329 -0.891 0.000 1.700 528 c CB 0.246 42.195 42.510 -0.936 0.000 2.275 528 c HN 0.959 nan 8.230 nan 0.000 0.492 529 F N -0.736 119.010 119.950 -0.341 0.000 2.713 529 F HA 0.762 5.289 4.527 -0.000 0.000 0.311 529 F C -0.883 174.676 175.800 -0.402 0.000 1.141 529 F CA -1.196 56.653 58.000 -0.252 0.000 0.939 529 F CB 1.122 40.094 39.000 -0.047 0.000 1.325 529 F HN 0.615 nan 8.300 nan 0.000 0.453 530 R N 1.053 121.420 120.500 -0.221 0.000 2.589 530 R HA 0.346 4.686 4.340 -0.000 0.000 0.293 530 R C -1.594 174.859 176.300 0.255 0.000 0.963 530 R CA -0.600 55.402 56.100 -0.164 0.000 0.905 530 R CB 1.592 31.700 30.300 -0.320 0.000 1.144 530 R HN 0.857 nan 8.270 nan 0.000 0.459 531 D N 2.558 123.125 120.400 0.279 0.000 2.380 531 D HA 0.028 4.668 4.640 -0.000 0.000 0.230 531 D C 0.712 177.092 176.300 0.133 0.000 1.154 531 D CA -0.020 54.167 54.000 0.312 0.000 0.859 531 D CB 1.643 42.685 40.800 0.404 0.000 1.045 531 D HN 0.700 nan 8.370 nan 0.000 0.495 532 T N 0.151 114.753 114.554 0.080 0.000 3.113 532 T HA 0.053 4.403 4.350 -0.000 0.000 0.263 532 T C 1.630 176.346 174.700 0.026 0.000 1.143 532 T CA 0.510 62.643 62.100 0.054 0.000 1.090 532 T CB 0.275 69.175 68.868 0.054 0.000 0.922 532 T HN 0.311 nan 8.240 nan 0.000 0.521 533 G N 1.991 110.793 108.800 0.002 0.000 2.439 533 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.212 533 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.212 533 G C 1.773 176.695 174.900 0.035 0.000 1.199 533 G CA 0.662 45.761 45.100 -0.002 0.000 0.807 533 G HN 0.661 nan 8.290 nan 0.000 0.537 534 S N -0.532 115.210 115.700 0.071 0.000 2.575 534 S HA 0.243 4.713 4.470 -0.000 0.000 0.215 534 S C 0.931 175.581 174.600 0.084 0.000 0.966 534 S CA 0.533 58.787 58.200 0.090 0.000 0.911 534 S CB 0.437 63.722 63.200 0.141 0.000 0.780 534 S HN 0.791 nan 8.310 nan 0.000 0.514 535 V N 1.831 121.792 119.914 0.078 0.000 5.658 535 V HA -0.223 3.897 4.120 -0.000 0.000 0.312 535 V C -0.132 175.989 176.094 0.046 0.000 0.480 535 V CA 1.683 64.019 62.300 0.061 0.000 0.684 535 V CB -2.542 29.317 31.823 0.060 0.000 0.426 535 V HN 0.819 nan 8.190 nan 0.000 1.241 536 M N -1.637 117.986 119.600 0.037 0.000 2.602 536 M HA 0.832 5.312 4.480 -0.000 0.000 0.312 536 M C -0.607 175.574 176.300 -0.198 0.000 1.181 536 M CA -0.931 54.321 55.300 -0.080 0.000 0.910 536 M CB 2.281 34.775 32.600 -0.176 0.000 1.723 536 M HN -0.109 nan 8.290 nan 0.000 0.459 537 V N 2.154 121.892 119.914 -0.295 0.000 2.427 537 V HA 0.423 4.543 4.120 -0.000 0.000 0.286 537 V C -1.187 174.548 176.094 -0.597 0.000 1.034 537 V CA -0.324 61.730 62.300 -0.410 0.000 0.893 537 V CB 1.045 32.712 31.823 -0.259 0.000 0.982 537 V HN 0.646 nan 8.190 nan 0.000 0.452 538 Y N 2.346 122.284 120.300 -0.602 0.000 2.429 538 Y HA 0.628 5.178 4.550 0.000 0.000 0.342 538 Y C 0.188 175.634 175.900 -0.757 0.000 1.004 538 Y CA -0.538 57.198 58.100 -0.607 0.000 1.075 538 Y CB 1.942 39.990 38.460 -0.687 0.000 1.214 538 Y HN 0.551 nan 8.280 nan 0.000 0.455 539 c N 4.104 122.530 118.600 -0.290 0.000 2.563 539 c HA 0.619 5.189 4.570 -0.000 0.000 0.314 539 c C -0.303 173.616 174.090 -0.286 0.000 1.199 539 c CA -1.169 54.920 56.329 -0.401 0.000 1.564 539 c CB 1.074 43.295 42.510 -0.481 0.000 2.173 539 c HN 0.822 nan 8.230 nan 0.000 0.485 540 I N 2.425 122.789 120.570 -0.344 0.000 2.378 540 I HA 0.508 4.678 4.170 -0.000 0.000 0.291 540 I C -1.573 174.323 176.117 -0.367 0.000 0.992 540 I CA -0.358 60.800 61.300 -0.235 0.000 1.154 540 I CB 0.802 38.634 38.000 -0.280 0.000 1.315 540 I HN 0.696 nan 8.210 nan 0.000 0.448 541 Y N 7.501 127.783 120.300 -0.031 0.000 2.478 541 Y HA 0.446 4.996 4.550 -0.000 0.000 0.329 541 Y C -0.003 175.923 175.900 0.043 0.000 0.967 541 Y CA -0.727 57.397 58.100 0.041 0.000 1.255 541 Y CB 0.921 39.422 38.460 0.069 0.000 1.103 541 Y HN 0.372 nan 8.280 nan 0.000 0.497 542 I N 5.739 126.368 120.570 0.098 0.000 2.294 542 I HA 0.227 4.397 4.170 -0.000 0.000 0.295 542 I C -0.313 175.903 176.117 0.166 0.000 1.098 542 I CA 0.162 61.467 61.300 0.009 0.000 1.277 542 I CB 0.056 38.016 38.000 -0.067 0.000 1.434 542 I HN 0.467 nan 8.210 nan 0.000 0.498 543 I N 6.123 126.783 120.570 0.150 0.000 2.433 543 I HA 0.252 4.422 4.170 -0.000 0.000 0.292 543 I C 0.118 176.326 176.117 0.150 0.000 1.001 543 I CA -0.721 60.712 61.300 0.222 0.000 1.119 543 I CB 1.669 39.851 38.000 0.303 0.000 1.289 543 I HN 0.487 nan 8.210 nan 0.000 0.438 544 E N 6.735 127.048 120.200 0.190 0.000 2.070 544 E HA 0.318 4.668 4.350 -0.000 0.000 0.282 544 E C -0.956 175.847 176.600 0.338 0.000 1.104 544 E CA -0.169 56.343 56.400 0.187 0.000 0.876 544 E CB 0.816 30.535 29.700 0.031 0.000 1.055 544 E HN 0.379 nan 8.360 nan 0.000 0.401 545 L N 2.381 123.765 121.223 0.269 0.000 2.295 545 L HA 0.213 4.553 4.340 -0.000 0.000 0.285 545 L C 0.483 177.411 176.870 0.096 0.000 1.035 545 L CA -0.632 54.336 54.840 0.213 0.000 0.806 545 L CB 1.762 43.919 42.059 0.164 0.000 1.214 545 L HN 0.398 nan 8.230 nan 0.000 0.426 546 S N 2.169 117.826 115.700 -0.072 0.000 2.488 546 S HA 0.232 4.702 4.470 -0.000 0.000 0.278 546 S C 0.047 174.547 174.600 -0.167 0.000 1.259 546 S CA -0.662 57.315 58.200 -0.372 0.000 1.061 546 S CB 0.309 63.298 63.200 -0.352 0.000 0.910 546 S HN 0.650 nan 8.310 nan 0.000 0.491 547 S N 3.482 119.079 115.700 -0.173 0.000 2.537 547 S HA 0.504 4.974 4.470 -0.000 0.000 0.301 547 S C 0.898 175.446 174.600 -0.087 0.000 1.092 547 S CA -0.169 57.983 58.200 -0.081 0.000 1.048 547 S CB 1.670 64.841 63.200 -0.048 0.000 1.053 547 S HN 0.851 nan 8.310 nan 0.000 0.501 548 S N 1.951 117.619 115.700 -0.053 0.000 2.486 548 S HA 0.071 4.541 4.470 -0.000 0.000 0.220 548 S C 1.315 175.893 174.600 -0.037 0.000 1.011 548 S CA -0.044 58.127 58.200 -0.048 0.000 0.921 548 S CB -0.552 62.626 63.200 -0.036 0.000 0.785 548 S HN 0.548 nan 8.310 nan 0.000 0.517 549 L N 0.932 122.137 121.223 -0.030 0.000 2.046 549 L HA 0.449 4.789 4.340 -0.000 0.000 0.203 549 L C 0.120 176.975 176.870 -0.025 0.000 1.111 549 L CA 1.252 56.078 54.840 -0.023 0.000 0.769 549 L CB -0.322 41.726 42.059 -0.017 0.000 0.914 549 L HN 0.268 nan 8.230 nan 0.000 0.448 550 L N 0.503 121.710 121.223 -0.027 0.000 2.313 550 L HA 0.553 4.893 4.340 -0.000 0.000 0.283 550 L C 0.145 176.998 176.870 -0.028 0.000 1.013 550 L CA 0.214 55.039 54.840 -0.026 0.000 0.816 550 L CB -0.018 42.025 42.059 -0.027 0.000 1.236 550 L HN 0.545 nan 8.230 nan 0.000 0.419 551 G N 3.384 112.171 108.800 -0.021 0.000 2.825 551 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.684 551 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.684 551 G C 0.541 175.426 174.900 -0.026 0.000 1.528 551 G CA -0.413 44.681 45.100 -0.010 0.000 0.963 551 G HN 0.605 nan 8.290 nan 0.000 0.577 552 Q N -0.523 119.281 119.800 0.007 0.000 2.050 552 Q HA 0.026 4.366 4.340 -0.000 0.000 0.202 552 Q C 0.959 176.802 176.000 -0.260 0.000 0.980 552 Q CA 1.650 57.414 55.803 -0.066 0.000 0.840 552 Q CB 0.025 28.841 28.738 0.129 0.000 0.898 552 Q HN 0.531 nan 8.270 nan 0.000 0.424 553 F N -0.924 118.995 119.950 -0.052 0.000 2.611 553 F HA 0.421 4.948 4.527 -0.000 0.000 0.324 553 F C 0.013 175.764 175.800 -0.082 0.000 1.061 553 F CA -0.987 56.978 58.000 -0.057 0.000 0.954 553 F CB 1.618 40.574 39.000 -0.073 0.000 1.301 553 F HN -0.246 nan 8.300 nan 0.000 0.482 554 Q N 2.064 121.939 119.800 0.124 0.000 2.303 554 Q HA 0.502 4.842 4.340 -0.000 0.000 0.267 554 Q C -1.535 174.450 176.000 -0.024 0.000 1.011 554 Q CA -0.358 55.445 55.803 -0.000 0.000 0.740 554 Q CB 1.356 30.069 28.738 -0.042 0.000 1.250 554 Q HN 0.660 nan 8.270 nan 0.000 0.458 555 I N 4.349 124.874 120.570 -0.075 0.000 2.363 555 I HA 0.173 4.343 4.170 -0.000 0.000 0.292 555 I C -0.447 175.515 176.117 -0.259 0.000 1.075 555 I CA -0.421 60.817 61.300 -0.103 0.000 1.333 555 I CB 0.893 38.866 38.000 -0.044 0.000 1.415 555 I HN 0.309 nan 8.210 nan 0.000 0.502 556 V N 9.263 128.969 119.914 -0.347 0.000 2.435 556 V HA 0.332 4.452 4.120 -0.000 0.000 0.290 556 V C -2.043 173.637 176.094 -0.690 0.000 1.030 556 V CA -1.522 60.396 62.300 -0.638 0.000 0.881 556 V CB 1.653 32.871 31.823 -1.008 0.000 0.983 556 V HN 0.579 nan 8.190 nan 0.000 0.445 557 P HA 0.315 nan 4.420 nan 0.000 0.234 557 P C -0.623 176.413 177.300 -0.440 0.000 1.799 557 P CA -0.402 62.325 63.100 -0.622 0.000 1.118 557 P CB -0.010 31.136 31.700 -0.923 0.000 1.827 558 F N 2.932 122.762 119.950 -0.200 0.000 2.506 558 F HA 0.246 4.773 4.527 -0.000 0.000 0.351 558 F C 1.293 177.076 175.800 -0.027 0.000 1.136 558 F CA 0.181 58.102 58.000 -0.131 0.000 1.298 558 F CB 0.602 39.520 39.000 -0.137 0.000 1.145 558 F HN 0.199 nan 8.300 nan 0.000 0.593 559 I N 3.986 124.664 120.570 0.180 0.000 2.607 559 I HA 0.597 4.767 4.170 -0.000 0.000 0.290 559 I C -1.109 175.074 176.117 0.111 0.000 1.129 559 I CA -0.639 60.746 61.300 0.142 0.000 1.042 559 I CB 1.603 39.653 38.000 0.083 0.000 1.242 559 I HN 0.841 nan 8.210 nan 0.000 0.421 560 R N 5.062 125.653 120.500 0.152 0.000 2.752 560 R HA 0.437 4.777 4.340 -0.000 0.000 0.271 560 R C -1.780 174.544 176.300 0.039 0.000 1.026 560 R CA -0.949 55.195 56.100 0.072 0.000 0.901 560 R CB 1.395 31.710 30.300 0.025 0.000 1.243 560 R HN 0.627 nan 8.270 nan 0.000 0.463 561 Q N 1.188 120.939 119.800 -0.082 0.000 2.227 561 Q HA 0.418 4.758 4.340 -0.000 0.000 0.245 561 Q C -1.216 174.692 176.000 -0.155 0.000 0.926 561 Q CA -0.864 54.771 55.803 -0.280 0.000 0.895 561 Q CB 1.929 30.424 28.738 -0.405 0.000 1.230 561 Q HN 0.465 nan 8.270 nan 0.000 0.450 562 V N 3.777 123.599 119.914 -0.153 0.000 2.294 562 V HA 0.224 4.344 4.120 -0.000 0.000 0.272 562 V C -0.378 175.673 176.094 -0.072 0.000 1.027 562 V CA -0.492 61.772 62.300 -0.059 0.000 0.823 562 V CB 1.036 32.886 31.823 0.046 0.000 1.030 562 V HN 0.869 nan 8.190 nan 0.000 0.457 563 T N 6.181 120.672 114.554 -0.104 0.000 2.897 563 T HA 0.408 4.758 4.350 -0.000 0.000 0.294 563 T C -0.122 174.479 174.700 -0.164 0.000 1.004 563 T CA -0.162 61.877 62.100 -0.102 0.000 1.106 563 T CB 1.189 70.008 68.868 -0.081 0.000 0.949 563 T HN 0.419 nan 8.240 nan 0.000 0.520 564 L N 3.263 124.404 121.223 -0.137 0.000 2.255 564 L HA 0.606 4.946 4.340 -0.000 0.000 0.289 564 L C 0.069 176.880 176.870 -0.098 0.000 1.046 564 L CA 0.287 55.016 54.840 -0.186 0.000 0.816 564 L CB 0.469 42.464 42.059 -0.106 0.000 1.197 564 L HN 0.861 nan 8.230 nan 0.000 0.427 565 S N 0.000 115.636 115.700 -0.106 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 63.174 63.200 -0.043 0.000 0.593 565 S HN 0.000 nan 8.310 nan 0.000 0.517