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 2dh3_1_A DATA FIRST_RESID 114 DATA SEQUENCE AQKWWHTGAL YRIGDLQAFQ GHGAGNLAGL KGRLDYLSSL KVKGLVLGPI DATA SEQUENCE HKNQKDDVAQ TDLLQIDPNF GSKEDFDSLL QSAKKKSIRV ILDLTPNYRG DATA SEQUENCE ENSWFSTQVD TVATKVKDAL EFWLQAGVDG FQVRDIENLK DASSFLAEWQ DATA SEQUENCE NITKGFSEDR LLIAGTNSSD LQQILSLLES NKDLLLTSSY LSDSGSTGEH DATA SEQUENCE TKSLVTQYLN ATGNRWCSWS LSQARLLTSF LPAQLLRLYQ LMLFTLPGTP DATA SEQUENCE VFSYGDEIGL DAAALPGQPM EAPVMLWDES SFPDIPGAVS ANMTVKGQSE DATA SEQUENCE DPGSLLSLFR RLSDQRSKER SLLHGDFHAF SAGPGLFSYI RHWDQNERFL DATA SEQUENCE VVLNFGDVGL SAGLQASDLP ASASLPAKAD LLLSTQPGRE EGSPLELERL DATA SEQUENCE KLEPHEGLLL RFPYAA 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 114 A HA 0.000 nan 4.320 nan 0.000 0.244 114 A C 0.000 177.510 177.584 -0.123 0.000 1.274 114 A CA 0.000 52.000 52.037 -0.062 0.000 0.836 114 A CB 0.000 18.969 19.000 -0.052 0.000 0.831 115 Q N 0.720 120.420 119.800 -0.167 0.000 2.245 115 Q HA 0.428 4.768 4.340 0.000 0.000 0.256 115 Q C -0.463 175.313 176.000 -0.373 0.000 0.942 115 Q CA -0.803 54.810 55.803 -0.317 0.000 0.896 115 Q CB 1.716 30.253 28.738 -0.335 0.000 1.272 115 Q HN 0.666 nan 8.270 nan 0.000 0.442 116 K N 2.116 122.134 120.400 -0.638 0.000 2.382 116 K HA 0.009 4.329 4.320 0.000 0.000 0.275 116 K C 0.862 177.018 176.600 -0.740 0.000 1.009 116 K CA -0.415 55.431 56.287 -0.736 0.000 0.970 116 K CB 0.647 32.435 32.500 -1.186 0.000 0.934 116 K HN 0.778 nan 8.250 nan 0.000 0.479 117 W N 3.088 124.164 121.300 -0.373 0.000 2.402 117 W HA -0.154 4.506 4.660 -0.000 0.000 0.286 117 W C 1.001 177.528 176.519 0.015 0.000 1.221 117 W CA 0.569 57.850 57.345 -0.107 0.000 1.257 117 W CB -0.958 28.532 29.460 0.050 0.000 1.120 117 W HN 0.901 nan 8.180 nan 0.000 0.551 118 W N 1.144 122.004 121.300 -0.733 0.000 2.825 118 W HA 0.097 4.757 4.660 0.000 0.000 0.243 118 W C 1.647 178.138 176.519 -0.047 0.000 1.293 118 W CA 1.065 58.085 57.345 -0.542 0.000 1.403 118 W CB -1.711 27.191 29.460 -0.930 0.000 1.134 118 W HN -0.043 nan 8.180 nan 0.000 0.666 119 H N 0.500 119.213 119.070 -0.595 0.000 2.548 119 H HA -0.012 4.544 4.556 0.000 0.000 0.268 119 H C 1.589 176.852 175.328 -0.108 0.000 0.975 119 H CA 1.401 57.186 56.048 -0.438 0.000 1.195 119 H CB 0.102 29.220 29.762 -1.073 0.000 1.397 119 H HN 0.297 nan 8.280 nan 0.000 0.572 120 T N -2.240 112.347 114.554 0.057 0.000 3.086 120 T HA 0.376 4.726 4.350 0.000 0.000 0.250 120 T C 0.924 175.706 174.700 0.138 0.000 1.074 120 T CA 0.185 62.322 62.100 0.062 0.000 0.988 120 T CB 0.836 69.728 68.868 0.041 0.000 0.988 120 T HN 0.352 nan 8.240 nan 0.000 0.530 121 G N 0.178 109.101 108.800 0.204 0.000 2.428 121 G HA2 0.576 4.536 3.960 0.000 0.000 0.304 121 G HA3 0.576 4.536 3.960 0.000 0.000 0.304 121 G C -1.394 173.664 174.900 0.264 0.000 1.303 121 G CA -0.492 44.749 45.100 0.235 0.000 0.825 121 G HN 0.464 nan 8.290 nan 0.000 0.484 122 A N -0.804 122.198 122.820 0.303 0.000 2.322 122 A HA 0.777 5.097 4.320 0.000 0.000 0.269 122 A C -0.135 177.648 177.584 0.332 0.000 1.094 122 A CA -0.235 51.980 52.037 0.297 0.000 0.807 122 A CB 0.389 19.656 19.000 0.445 0.000 1.047 122 A HN 0.756 nan 8.150 nan 0.000 0.487 123 L N 0.999 122.388 121.223 0.277 0.000 2.317 123 L HA 0.389 4.729 4.340 0.000 0.000 0.281 123 L C -1.017 176.078 176.870 0.375 0.000 1.024 123 L CA -0.453 54.562 54.840 0.292 0.000 0.810 123 L CB 1.369 43.536 42.059 0.179 0.000 1.240 123 L HN 0.761 nan 8.230 nan 0.000 0.427 124 Y N 3.411 123.837 120.300 0.211 0.000 2.328 124 Y HA 0.410 4.960 4.550 0.000 0.000 0.333 124 Y C -0.301 175.668 175.900 0.115 0.000 0.958 124 Y CA -0.755 57.469 58.100 0.208 0.000 1.167 124 Y CB 0.976 39.543 38.460 0.179 0.000 1.151 124 Y HN 0.450 nan 8.280 nan 0.000 0.470 125 R N 6.988 127.416 120.500 -0.119 0.000 2.221 125 R HA 0.480 4.820 4.340 0.000 0.000 0.327 125 R C -1.086 175.123 176.300 -0.152 0.000 1.033 125 R CA -0.439 55.601 56.100 -0.100 0.000 0.887 125 R CB 0.914 31.179 30.300 -0.058 0.000 1.057 125 R HN 0.682 nan 8.270 nan 0.000 0.455 126 I N 2.758 123.258 120.570 -0.116 0.000 2.503 126 I HA 0.169 4.339 4.170 0.000 0.000 0.277 126 I C 1.215 177.284 176.117 -0.079 0.000 1.078 126 I CA -0.189 61.018 61.300 -0.155 0.000 1.184 126 I CB 1.698 39.453 38.000 -0.409 0.000 1.353 126 I HN 0.850 nan 8.210 nan 0.000 0.490 127 G N 3.442 112.290 108.800 0.080 0.000 2.394 127 G HA2 -0.131 3.829 3.960 0.000 0.000 0.214 127 G HA3 -0.131 3.829 3.960 0.000 0.000 0.214 127 G C 0.494 175.409 174.900 0.024 0.000 1.176 127 G CA 0.484 45.609 45.100 0.042 0.000 0.786 127 G HN 0.493 nan 8.290 nan 0.000 0.533 128 D N -0.006 120.458 120.400 0.107 0.000 2.441 128 D HA 0.319 4.959 4.640 0.000 0.000 0.231 128 D C 1.485 177.803 176.300 0.030 0.000 1.073 128 D CA -0.441 53.616 54.000 0.095 0.000 0.850 128 D CB 1.397 42.306 40.800 0.181 0.000 1.062 128 D HN -0.010 nan 8.370 nan 0.000 0.524 129 L N 2.812 124.046 121.223 0.019 0.000 2.127 129 L HA -0.195 4.145 4.340 0.000 0.000 0.211 129 L C 2.314 179.281 176.870 0.161 0.000 1.089 129 L CA 1.284 56.172 54.840 0.079 0.000 0.757 129 L CB 0.037 42.138 42.059 0.071 0.000 0.899 129 L HN 0.510 nan 8.230 nan 0.000 0.434 130 Q N -0.934 118.969 119.800 0.172 0.000 2.187 130 Q HA -0.116 4.224 4.340 0.000 0.000 0.199 130 Q C 2.192 178.238 176.000 0.076 0.000 0.957 130 Q CA 1.105 56.983 55.803 0.126 0.000 0.857 130 Q CB 0.064 28.878 28.738 0.126 0.000 0.929 130 Q HN 0.520 nan 8.270 nan 0.000 0.453 131 A N -0.024 122.854 122.820 0.096 0.000 2.014 131 A HA -0.119 4.201 4.320 0.000 0.000 0.218 131 A C 1.704 179.320 177.584 0.053 0.000 1.163 131 A CA 0.698 52.796 52.037 0.102 0.000 0.652 131 A CB -0.640 18.487 19.000 0.212 0.000 0.808 131 A HN 0.595 nan 8.150 nan 0.000 0.449 132 F N 1.234 121.044 119.950 -0.233 0.000 2.206 132 F HA -0.121 4.406 4.527 0.000 0.000 0.298 132 F C 2.252 178.126 175.800 0.122 0.000 1.090 132 F CA 2.030 59.808 58.000 -0.371 0.000 1.323 132 F CB -0.032 38.639 39.000 -0.548 0.000 1.028 132 F HN 0.445 nan 8.300 nan 0.000 0.492 133 Q N -0.936 118.836 119.800 -0.046 0.000 2.280 133 Q HA 0.384 4.724 4.340 0.000 0.000 0.244 133 Q C 1.599 177.600 176.000 0.002 0.000 0.847 133 Q CA 0.359 56.144 55.803 -0.031 0.000 0.945 133 Q CB 0.382 29.051 28.738 -0.115 0.000 1.115 133 Q HN 0.383 nan 8.270 nan 0.000 0.513 134 G N 2.373 111.149 108.800 -0.041 0.000 2.565 134 G HA2 -0.292 3.668 3.960 0.000 0.000 0.295 134 G HA3 -0.292 3.668 3.960 0.000 0.000 0.295 134 G C -0.240 174.523 174.900 -0.228 0.000 1.165 134 G CA 0.298 45.264 45.100 -0.223 0.000 0.977 134 G HN 0.468 nan 8.290 nan 0.000 0.546 135 H N 1.882 120.963 119.070 0.019 0.000 2.603 135 H HA 0.429 4.985 4.556 0.000 0.000 0.370 135 H C 1.688 176.997 175.328 -0.031 0.000 1.225 135 H CA 0.784 56.828 56.048 -0.007 0.000 1.410 135 H CB 0.536 30.290 29.762 -0.014 0.000 1.495 135 H HN 2.095 nan 8.280 nan 0.000 0.602 136 G N 0.350 109.208 108.800 0.097 0.000 5.229 136 G HA2 -0.411 3.549 3.960 0.000 0.000 0.250 136 G HA3 -0.411 3.549 3.960 0.000 0.000 0.250 136 G C 1.174 176.076 174.900 0.003 0.000 1.380 136 G CA 1.539 46.655 45.100 0.025 0.000 0.933 136 G HN 0.859 nan 8.290 nan 0.000 0.731 137 A N -0.271 122.536 122.820 -0.022 0.000 2.028 137 A HA 0.511 4.831 4.320 0.000 0.000 0.213 137 A C 3.106 180.704 177.584 0.023 0.000 1.486 137 A CA 3.053 55.080 52.037 -0.018 0.000 0.597 137 A CB -1.190 17.774 19.000 -0.061 0.000 1.089 137 A HN 2.724 nan 8.150 nan 0.000 0.489 138 G N -0.934 107.890 108.800 0.040 0.000 2.187 138 G HA2 -0.272 3.688 3.960 0.000 0.000 0.261 138 G HA3 -0.272 3.688 3.960 0.000 0.000 0.261 138 G C 0.066 175.044 174.900 0.129 0.000 1.000 138 G CA 1.071 46.221 45.100 0.084 0.000 0.718 138 G HN 0.807 nan 8.290 nan 0.000 0.519 139 N N -1.825 116.947 118.700 0.119 0.000 2.701 139 N HA 0.687 5.427 4.740 0.000 0.000 0.290 139 N C 1.459 177.052 175.510 0.137 0.000 1.338 139 N CA -0.755 52.378 53.050 0.140 0.000 0.799 139 N CB 0.845 39.390 38.487 0.097 0.000 1.491 139 N HN -0.120 nan 8.380 nan 0.000 0.540 140 L N 0.294 121.605 121.223 0.147 0.000 2.109 140 L HA 0.059 4.399 4.340 0.000 0.000 0.207 140 L C 1.997 178.914 176.870 0.079 0.000 1.086 140 L CA 1.275 56.187 54.840 0.119 0.000 0.760 140 L CB -0.445 41.714 42.059 0.166 0.000 0.910 140 L HN 0.645 nan 8.230 nan 0.000 0.437 141 A N 0.180 123.046 122.820 0.076 0.000 1.969 141 A HA -0.058 4.262 4.320 0.000 0.000 0.218 141 A C 2.368 179.972 177.584 0.034 0.000 1.169 141 A CA 1.525 53.590 52.037 0.047 0.000 0.635 141 A CB -0.964 18.063 19.000 0.045 0.000 0.810 141 A HN 0.425 nan 8.150 nan 0.000 0.445 142 G N -0.350 108.476 108.800 0.044 0.000 2.408 142 G HA2 -0.041 3.919 3.960 0.000 0.000 0.215 142 G HA3 -0.041 3.919 3.960 0.000 0.000 0.215 142 G C 1.413 176.338 174.900 0.041 0.000 1.156 142 G CA 0.962 46.077 45.100 0.024 0.000 0.793 142 G HN 0.462 nan 8.290 nan 0.000 0.535 143 L N 0.859 122.135 121.223 0.088 0.000 2.187 143 L HA 0.069 4.409 4.340 0.000 0.000 0.213 143 L C 2.513 179.433 176.870 0.083 0.000 1.100 143 L CA 1.945 56.865 54.840 0.134 0.000 0.765 143 L CB -0.395 41.732 42.059 0.113 0.000 0.904 143 L HN 0.178 nan 8.230 nan 0.000 0.437 144 K N -0.729 119.694 120.400 0.037 0.000 2.103 144 K HA -0.142 4.178 4.320 0.000 0.000 0.207 144 K C 1.854 178.461 176.600 0.011 0.000 1.048 144 K CA 1.304 57.597 56.287 0.011 0.000 0.930 144 K CB -0.475 32.025 32.500 -0.001 0.000 0.716 144 K HN 0.538 nan 8.250 nan 0.000 0.444 145 G N 0.289 109.090 108.800 0.002 0.000 2.534 145 G HA2 -0.139 3.821 3.960 0.000 0.000 0.217 145 G HA3 -0.139 3.821 3.960 0.000 0.000 0.217 145 G C 1.212 176.100 174.900 -0.020 0.000 1.128 145 G CA -0.023 45.062 45.100 -0.024 0.000 0.784 145 G HN 0.147 nan 8.290 nan 0.000 0.542 146 R N 0.024 120.543 120.500 0.032 0.000 2.388 146 R HA 0.334 4.674 4.340 0.000 0.000 0.247 146 R C 1.784 178.200 176.300 0.193 0.000 0.931 146 R CA -0.216 55.945 56.100 0.102 0.000 1.082 146 R CB -0.210 30.210 30.300 0.201 0.000 1.135 146 R HN 0.370 nan 8.270 nan 0.000 0.525 147 L N 0.220 121.506 121.223 0.104 0.000 2.109 147 L HA -0.132 4.208 4.340 0.000 0.000 0.207 147 L C 1.376 178.284 176.870 0.064 0.000 1.086 147 L CA 1.183 56.066 54.840 0.072 0.000 0.760 147 L CB -0.210 41.863 42.059 0.022 0.000 0.910 147 L HN -0.002 nan 8.230 nan 0.000 0.437 148 D N -0.787 119.653 120.400 0.066 0.000 2.178 148 D HA -0.236 4.404 4.640 0.000 0.000 0.201 148 D C 1.845 178.203 176.300 0.095 0.000 0.980 148 D CA 1.135 55.170 54.000 0.058 0.000 0.842 148 D CB -0.162 40.666 40.800 0.047 0.000 0.948 148 D HN 0.319 nan 8.370 nan 0.000 0.472 149 Y N 1.328 121.649 120.300 0.035 0.000 2.200 149 Y HA -0.104 4.446 4.550 0.000 0.000 0.290 149 Y C 2.023 177.952 175.900 0.048 0.000 1.137 149 Y CA 1.226 59.367 58.100 0.069 0.000 1.163 149 Y CB -0.391 38.153 38.460 0.141 0.000 0.988 149 Y HN -0.090 nan 8.280 nan 0.000 0.518 150 L N -0.974 120.189 121.223 -0.100 0.000 2.141 150 L HA -0.181 4.159 4.340 0.000 0.000 0.209 150 L C 2.758 179.514 176.870 -0.191 0.000 1.094 150 L CA 1.430 56.110 54.840 -0.267 0.000 0.763 150 L CB -0.830 41.157 42.059 -0.120 0.000 0.908 150 L HN 0.197 nan 8.230 nan 0.000 0.437 151 S N -0.113 115.533 115.700 -0.090 0.000 2.382 151 S HA -0.189 4.281 4.470 0.000 0.000 0.228 151 S C 2.224 176.785 174.600 -0.064 0.000 1.027 151 S CA 1.615 59.784 58.200 -0.052 0.000 0.991 151 S CB -0.191 62.998 63.200 -0.019 0.000 0.823 151 S HN 0.605 nan 8.310 nan 0.000 0.469 152 S N 0.686 116.327 115.700 -0.099 0.000 2.515 152 S HA 0.124 4.594 4.470 0.000 0.000 0.231 152 S C 1.493 176.028 174.600 -0.109 0.000 0.987 152 S CA 0.522 58.671 58.200 -0.085 0.000 0.936 152 S CB -0.465 62.702 63.200 -0.054 0.000 0.766 152 S HN 0.587 nan 8.310 nan 0.000 0.528 153 L N -0.293 120.826 121.223 -0.174 0.000 2.607 153 L HA 0.344 4.684 4.340 0.000 0.000 0.228 153 L C 0.617 177.527 176.870 0.066 0.000 1.123 153 L CA -0.094 54.727 54.840 -0.031 0.000 0.890 153 L CB -0.502 41.474 42.059 -0.137 0.000 1.103 153 L HN 0.199 nan 8.230 nan 0.000 0.468 154 K N 0.610 121.016 120.400 0.010 0.000 3.035 154 K HA -0.155 4.165 4.320 0.000 0.000 0.262 154 K C -0.053 176.613 176.600 0.111 0.000 1.024 154 K CA 0.506 56.821 56.287 0.046 0.000 0.748 154 K CB -1.657 30.863 32.500 0.034 0.000 1.247 154 K HN 0.329 nan 8.250 nan 0.000 0.482 155 V N -1.394 118.581 119.914 0.101 0.000 2.488 155 V HA 0.194 4.314 4.120 0.000 0.000 0.277 155 V C 1.243 177.423 176.094 0.144 0.000 1.046 155 V CA -0.432 61.970 62.300 0.170 0.000 0.986 155 V CB 1.660 33.576 31.823 0.156 0.000 0.989 155 V HN 0.080 nan 8.190 nan 0.000 0.475 156 K N 3.526 124.057 120.400 0.218 0.000 2.400 156 K HA 0.310 4.630 4.320 0.000 0.000 0.194 156 K C 0.717 177.442 176.600 0.209 0.000 1.033 156 K CA 0.919 57.337 56.287 0.219 0.000 1.021 156 K CB 0.853 33.551 32.500 0.331 0.000 0.808 156 K HN 1.013 nan 8.250 nan 0.000 0.505 157 G N 1.669 110.632 108.800 0.272 0.000 2.734 157 G HA2 0.443 4.403 3.960 0.000 0.000 0.293 157 G HA3 0.443 4.403 3.960 0.000 0.000 0.293 157 G C -1.362 173.667 174.900 0.215 0.000 1.422 157 G CA -0.828 44.406 45.100 0.224 0.000 1.177 157 G HN 0.067 nan 8.290 nan 0.000 0.565 158 L N 0.602 121.892 121.223 0.112 0.000 2.309 158 L HA 0.869 5.209 4.340 0.000 0.000 0.282 158 L C -0.436 176.471 176.870 0.063 0.000 1.036 158 L CA -1.169 53.750 54.840 0.132 0.000 0.806 158 L CB 1.901 44.016 42.059 0.093 0.000 1.220 158 L HN 0.196 nan 8.230 nan 0.000 0.429 159 V N 4.954 124.902 119.914 0.057 0.000 2.334 159 V HA 0.392 4.512 4.120 0.000 0.000 0.267 159 V C -0.001 176.055 176.094 -0.063 0.000 1.040 159 V CA -0.239 62.060 62.300 -0.003 0.000 0.866 159 V CB 0.764 32.592 31.823 0.008 0.000 1.019 159 V HN 0.757 nan 8.190 nan 0.000 0.468 160 L N 5.566 126.730 121.223 -0.099 0.000 2.317 160 L HA 1.023 5.363 4.340 0.000 0.000 0.281 160 L C 0.432 177.184 176.870 -0.197 0.000 1.024 160 L CA 1.268 56.022 54.840 -0.143 0.000 0.810 160 L CB 1.314 43.301 42.059 -0.121 0.000 1.240 160 L HN 0.884 nan 8.230 nan 0.000 0.427 161 G N 3.666 112.312 108.800 -0.257 0.000 2.548 161 G HA2 -0.121 3.839 3.960 0.000 0.000 0.208 161 G HA3 -0.121 3.839 3.960 0.000 0.000 0.208 161 G C -3.009 171.689 174.900 -0.336 0.000 1.308 161 G CA -0.600 44.281 45.100 -0.366 0.000 0.924 161 G HN 0.640 nan 8.290 nan 0.000 0.540 162 P HA 0.432 nan 4.420 nan 0.000 0.271 162 P C 0.869 177.716 177.300 -0.755 0.000 1.218 162 P CA 0.225 62.902 63.100 -0.705 0.000 0.780 162 P CB 0.290 31.234 31.700 -1.261 0.000 0.901 163 I N -1.643 118.619 120.570 -0.513 0.000 4.102 163 I HA 0.245 4.415 4.170 0.000 0.000 0.325 163 I C 0.633 176.800 176.117 0.082 0.000 1.471 163 I CA -0.473 60.601 61.300 -0.376 0.000 1.133 163 I CB -0.299 37.453 38.000 -0.414 0.000 1.184 163 I HN 0.300 nan 8.210 nan 0.000 0.451 164 H N 0.991 120.066 119.070 0.008 0.000 2.495 164 H HA 0.499 5.055 4.556 0.000 0.000 0.350 164 H C -0.824 174.661 175.328 0.261 0.000 1.202 164 H CA -0.864 55.260 56.048 0.127 0.000 1.322 164 H CB 0.817 30.616 29.762 0.061 0.000 1.544 164 H HN 0.056 nan 8.280 nan 0.000 0.565 165 K N 1.417 121.979 120.400 0.270 0.000 2.451 165 K HA 0.020 4.340 4.320 0.000 0.000 0.280 165 K C -0.083 176.641 176.600 0.207 0.000 1.020 165 K CA 0.271 56.666 56.287 0.181 0.000 1.008 165 K CB 0.238 32.821 32.500 0.138 0.000 0.917 165 K HN 0.662 nan 8.250 nan 0.000 0.478 166 N N 2.822 121.581 118.700 0.098 0.000 2.699 166 N HA -0.038 4.702 4.740 0.000 0.000 0.271 166 N C -1.412 174.090 175.510 -0.013 0.000 1.216 166 N CA -0.288 52.808 53.050 0.077 0.000 0.844 166 N CB 1.125 39.613 38.487 0.003 0.000 1.462 166 N HN 0.506 nan 8.380 nan 0.000 0.555 167 Q N 3.265 123.087 119.800 0.036 0.000 2.296 167 Q HA 0.044 4.384 4.340 0.000 0.000 0.263 167 Q C -0.265 175.751 176.000 0.028 0.000 1.026 167 Q CA -0.134 55.675 55.803 0.011 0.000 0.912 167 Q CB 0.712 29.463 28.738 0.021 0.000 1.198 167 Q HN 0.429 nan 8.270 nan 0.000 0.407 168 K N 4.872 125.254 120.400 -0.029 0.000 2.404 168 K HA -0.208 4.112 4.320 0.000 0.000 0.271 168 K C -0.764 175.861 176.600 0.042 0.000 1.130 168 K CA 0.745 57.011 56.287 -0.034 0.000 1.181 168 K CB 0.072 32.535 32.500 -0.062 0.000 0.840 168 K HN 0.720 nan 8.250 nan 0.000 0.483 169 D N 2.610 123.073 120.400 0.106 0.000 2.716 169 D HA -0.190 4.450 4.640 0.000 0.000 0.239 169 D C -1.073 175.375 176.300 0.247 0.000 1.125 169 D CA 1.221 55.347 54.000 0.211 0.000 0.681 169 D CB -0.704 40.156 40.800 0.101 0.000 1.070 169 D HN 0.657 nan 8.370 nan 0.000 0.432 170 D N -0.990 119.587 120.400 0.294 0.000 2.764 170 D HA 0.280 4.920 4.640 0.000 0.000 0.227 170 D C 0.981 177.208 176.300 -0.122 0.000 1.347 170 D CA -0.625 53.412 54.000 0.062 0.000 0.953 170 D CB 1.843 42.664 40.800 0.036 0.000 1.476 170 D HN -0.172 nan 8.370 nan 0.000 0.585 171 V N 2.945 122.588 119.914 -0.451 0.000 2.307 171 V HA -0.122 3.998 4.120 0.000 0.000 0.245 171 V C 2.457 178.382 176.094 -0.280 0.000 1.045 171 V CA 2.138 64.020 62.300 -0.697 0.000 1.024 171 V CB -0.706 30.709 31.823 -0.680 0.000 0.651 171 V HN 0.699 nan 8.190 nan 0.000 0.449 172 A N -0.925 121.791 122.820 -0.173 0.000 1.940 172 A HA -0.209 4.111 4.320 0.000 0.000 0.219 172 A C 1.859 179.412 177.584 -0.052 0.000 1.176 172 A CA 1.349 53.331 52.037 -0.093 0.000 0.631 172 A CB -0.355 18.604 19.000 -0.067 0.000 0.814 172 A HN 0.520 nan 8.150 nan 0.000 0.446 173 Q N 0.788 120.568 119.800 -0.035 0.000 2.620 173 Q HA 0.175 4.515 4.340 0.000 0.000 0.333 173 Q C -1.007 175.020 176.000 0.046 0.000 1.017 173 Q CA 0.310 56.115 55.803 0.004 0.000 0.962 173 Q CB -0.152 28.591 28.738 0.008 0.000 1.297 173 Q HN 0.448 nan 8.270 nan 0.000 0.419 174 T N 0.328 114.913 114.554 0.051 0.000 2.991 174 T HA 0.236 4.586 4.350 0.000 0.000 0.303 174 T C -1.228 173.535 174.700 0.105 0.000 1.015 174 T CA -0.678 61.506 62.100 0.141 0.000 1.007 174 T CB 1.854 70.871 68.868 0.249 0.000 1.034 174 T HN -0.036 nan 8.240 nan 0.000 0.446 175 D N 2.984 123.470 120.400 0.143 0.000 2.476 175 D HA 0.305 4.945 4.640 0.000 0.000 0.251 175 D C 0.784 177.134 176.300 0.083 0.000 1.291 175 D CA -0.510 53.527 54.000 0.062 0.000 0.939 175 D CB 1.527 42.339 40.800 0.020 0.000 1.221 175 D HN 0.352 nan 8.370 nan 0.000 0.567 176 L N 2.989 124.180 121.223 -0.053 0.000 2.362 176 L HA 0.005 4.345 4.340 0.000 0.000 0.219 176 L C 2.125 179.043 176.870 0.081 0.000 1.134 176 L CA 0.734 55.479 54.840 -0.158 0.000 0.807 176 L CB 0.044 41.936 42.059 -0.278 0.000 0.927 176 L HN 0.425 nan 8.230 nan 0.000 0.447 177 L N -1.100 120.060 121.223 -0.106 0.000 2.509 177 L HA 0.030 4.370 4.340 0.000 0.000 0.222 177 L C 0.505 177.236 176.870 -0.231 0.000 1.123 177 L CA 0.286 54.868 54.840 -0.431 0.000 0.856 177 L CB -0.141 41.438 42.059 -0.800 0.000 0.985 177 L HN 0.296 nan 8.230 nan 0.000 0.456 178 Q N 0.749 120.554 119.800 0.009 0.000 2.322 178 Q HA 0.467 4.807 4.340 0.000 0.000 0.265 178 Q C -0.619 175.502 176.000 0.201 0.000 0.985 178 Q CA -0.485 55.364 55.803 0.077 0.000 0.849 178 Q CB 2.833 31.593 28.738 0.037 0.000 1.274 178 Q HN 0.163 nan 8.270 nan 0.000 0.449 179 I N 1.533 122.236 120.570 0.221 0.000 2.696 179 I HA -0.011 4.159 4.170 0.000 0.000 0.284 179 I C 0.555 176.788 176.117 0.193 0.000 1.129 179 I CA -0.134 61.304 61.300 0.230 0.000 1.410 179 I CB 0.479 38.610 38.000 0.219 0.000 1.399 179 I HN 0.510 nan 8.210 nan 0.000 0.579 180 D N 7.636 128.179 120.400 0.238 0.000 2.371 180 D HA 0.090 4.730 4.640 0.000 0.000 0.256 180 D C -1.676 174.636 176.300 0.020 0.000 1.193 180 D CA -1.782 52.276 54.000 0.096 0.000 0.881 180 D CB 1.621 42.432 40.800 0.018 0.000 1.143 180 D HN 0.184 nan 8.370 nan 0.000 0.473 181 P HA -0.165 nan 4.420 nan 0.000 0.218 181 P C 1.075 178.326 177.300 -0.082 0.000 1.146 181 P CA 0.869 63.958 63.100 -0.018 0.000 0.820 181 P CB 0.260 31.946 31.700 -0.023 0.000 0.778 182 N N -1.176 117.380 118.700 -0.240 0.000 2.149 182 N HA -0.137 4.603 4.740 0.000 0.000 0.188 182 N C 1.465 176.812 175.510 -0.271 0.000 1.019 182 N CA 1.265 54.108 53.050 -0.346 0.000 0.857 182 N CB -0.600 37.524 38.487 -0.604 0.000 0.997 182 N HN 0.306 nan 8.380 nan 0.000 0.426 183 F N 0.266 120.244 119.950 0.047 0.000 2.710 183 F HA 0.192 4.719 4.527 0.000 0.000 0.298 183 F C 1.832 177.672 175.800 0.066 0.000 1.137 183 F CA 0.116 58.148 58.000 0.054 0.000 1.444 183 F CB 0.309 39.339 39.000 0.051 0.000 1.111 183 F HN 0.081 nan 8.300 nan 0.000 0.580 184 G N 0.111 109.022 108.800 0.185 0.000 2.225 184 G HA2 0.128 4.088 3.960 0.000 0.000 0.203 184 G HA3 0.128 4.088 3.960 0.000 0.000 0.203 184 G C -0.820 174.166 174.900 0.144 0.000 1.335 184 G CA -0.339 44.850 45.100 0.148 0.000 1.183 184 G HN 0.418 nan 8.290 nan 0.000 0.488 185 S N -1.155 114.638 115.700 0.155 0.000 2.811 185 S HA 0.740 5.210 4.470 0.000 0.000 0.311 185 S C 0.920 175.642 174.600 0.203 0.000 1.152 185 S CA 0.506 58.797 58.200 0.152 0.000 0.864 185 S CB 2.064 65.333 63.200 0.115 0.000 1.226 185 S HN 0.746 nan 8.310 nan 0.000 0.541 186 K N 0.257 120.773 120.400 0.194 0.000 2.167 186 K HA 0.070 4.390 4.320 0.000 0.000 0.203 186 K C 1.473 178.227 176.600 0.256 0.000 1.052 186 K CA 1.329 57.765 56.287 0.248 0.000 0.956 186 K CB -0.493 32.124 32.500 0.196 0.000 0.735 186 K HN 0.659 nan 8.250 nan 0.000 0.451 187 E N 0.706 121.012 120.200 0.177 0.000 2.152 187 E HA -0.108 4.242 4.350 0.000 0.000 0.192 187 E C 1.434 178.118 176.600 0.139 0.000 0.983 187 E CA 1.175 57.659 56.400 0.139 0.000 0.818 187 E CB -0.080 29.676 29.700 0.094 0.000 0.758 187 E HN 0.292 nan 8.360 nan 0.000 0.467 188 D N -0.287 120.206 120.400 0.155 0.000 2.117 188 D HA -0.150 4.490 4.640 0.000 0.000 0.197 188 D C 1.406 177.803 176.300 0.162 0.000 0.987 188 D CA 0.721 54.805 54.000 0.139 0.000 0.829 188 D CB -0.198 40.690 40.800 0.146 0.000 0.961 188 D HN 0.113 nan 8.370 nan 0.000 0.460 189 F N 1.479 121.481 119.950 0.086 0.000 2.113 189 F HA -0.160 4.367 4.527 0.000 0.000 0.297 189 F C 1.781 177.621 175.800 0.067 0.000 1.103 189 F CA 1.313 59.361 58.000 0.079 0.000 1.248 189 F CB -0.056 39.031 39.000 0.144 0.000 0.999 189 F HN -0.181 nan 8.300 nan 0.000 0.475 190 D N -0.595 119.938 120.400 0.222 0.000 2.123 190 D HA -0.203 4.437 4.640 0.000 0.000 0.196 190 D C 2.478 178.769 176.300 -0.015 0.000 0.992 190 D CA 1.599 55.653 54.000 0.090 0.000 0.833 190 D CB -0.690 40.189 40.800 0.131 0.000 0.954 190 D HN 0.303 nan 8.370 nan 0.000 0.455 191 S N -0.079 115.627 115.700 0.010 0.000 2.382 191 S HA -0.139 4.331 4.470 0.000 0.000 0.228 191 S C 1.876 176.438 174.600 -0.063 0.000 1.027 191 S CA 0.528 58.720 58.200 -0.014 0.000 0.991 191 S CB -0.212 62.996 63.200 0.013 0.000 0.823 191 S HN 0.142 nan 8.310 nan 0.000 0.469 192 L N 1.431 122.589 121.223 -0.110 0.000 2.056 192 L HA 0.114 4.454 4.340 0.000 0.000 0.207 192 L C 2.107 178.842 176.870 -0.225 0.000 1.078 192 L CA 1.594 56.335 54.840 -0.165 0.000 0.749 192 L CB -0.559 41.374 42.059 -0.211 0.000 0.901 192 L HN 0.361 nan 8.230 nan 0.000 0.433 193 L N -0.904 120.129 121.223 -0.316 0.000 2.046 193 L HA -0.249 4.091 4.340 0.000 0.000 0.208 193 L C 2.675 179.449 176.870 -0.162 0.000 1.077 193 L CA 1.685 56.355 54.840 -0.283 0.000 0.747 193 L CB -0.667 41.214 42.059 -0.297 0.000 0.896 193 L HN 0.462 nan 8.230 nan 0.000 0.432 194 Q N -0.138 119.594 119.800 -0.114 0.000 2.061 194 Q HA -0.215 4.125 4.340 0.000 0.000 0.204 194 Q C 2.308 178.267 176.000 -0.068 0.000 0.984 194 Q CA 2.271 58.031 55.803 -0.072 0.000 0.846 194 Q CB 0.063 28.774 28.738 -0.045 0.000 0.902 194 Q HN 0.455 nan 8.270 nan 0.000 0.421 195 S N 0.396 116.054 115.700 -0.070 0.000 2.368 195 S HA -0.112 4.358 4.470 0.000 0.000 0.224 195 S C 1.968 176.528 174.600 -0.067 0.000 1.029 195 S CA 0.920 59.086 58.200 -0.057 0.000 0.988 195 S CB -0.300 62.871 63.200 -0.048 0.000 0.838 195 S HN 0.557 nan 8.310 nan 0.000 0.462 196 A N 1.978 124.742 122.820 -0.094 0.000 1.933 196 A HA -0.102 4.218 4.320 0.000 0.000 0.218 196 A C 2.050 179.570 177.584 -0.107 0.000 1.175 196 A CA 1.272 53.246 52.037 -0.105 0.000 0.628 196 A CB -0.365 18.548 19.000 -0.145 0.000 0.814 196 A HN 0.398 nan 8.150 nan 0.000 0.444 197 K N -0.469 119.865 120.400 -0.109 0.000 2.148 197 K HA -0.104 4.216 4.320 0.000 0.000 0.204 197 K C 2.035 178.593 176.600 -0.069 0.000 1.050 197 K CA 1.328 57.556 56.287 -0.099 0.000 0.942 197 K CB -0.113 32.333 32.500 -0.090 0.000 0.724 197 K HN 0.480 nan 8.250 nan 0.000 0.446 198 K N 1.617 121.983 120.400 -0.056 0.000 2.283 198 K HA -0.098 4.222 4.320 0.000 0.000 0.202 198 K C 0.976 177.555 176.600 -0.035 0.000 1.048 198 K CA 1.159 57.422 56.287 -0.039 0.000 0.948 198 K CB 0.240 32.720 32.500 -0.032 0.000 0.742 198 K HN -0.032 nan 8.250 nan 0.000 0.458 199 K N 0.174 120.548 120.400 -0.043 0.000 2.440 199 K HA 0.143 4.463 4.320 0.000 0.000 0.206 199 K C -0.417 176.159 176.600 -0.039 0.000 1.025 199 K CA 0.021 56.287 56.287 -0.034 0.000 1.135 199 K CB 0.830 33.312 32.500 -0.031 0.000 0.856 199 K HN -0.051 nan 8.250 nan 0.000 0.502 200 S N 1.165 116.834 115.700 -0.051 0.000 3.628 200 S HA -0.163 4.307 4.470 0.000 0.000 0.373 200 S C -0.235 174.321 174.600 -0.073 0.000 0.968 200 S CA 0.523 58.688 58.200 -0.057 0.000 1.215 200 S CB -1.264 61.921 63.200 -0.026 0.000 0.912 200 S HN 0.362 nan 8.310 nan 0.000 0.495 201 I N 1.597 122.101 120.570 -0.110 0.000 2.439 201 I HA 0.374 4.544 4.170 0.000 0.000 0.285 201 I C 0.305 176.285 176.117 -0.229 0.000 1.021 201 I CA -0.812 60.411 61.300 -0.128 0.000 1.091 201 I CB 1.196 39.146 38.000 -0.083 0.000 1.242 201 I HN 0.029 nan 8.210 nan 0.000 0.439 202 R N 4.763 125.042 120.500 -0.367 0.000 2.531 202 R HA 0.596 4.936 4.340 0.000 0.000 0.273 202 R C -0.745 175.338 176.300 -0.362 0.000 1.070 202 R CA -0.779 54.975 56.100 -0.577 0.000 1.112 202 R CB 1.357 30.809 30.300 -1.413 0.000 1.049 202 R HN 0.284 nan 8.270 nan 0.000 0.508 203 V N 4.115 123.841 119.914 -0.313 0.000 2.407 203 V HA 0.424 4.544 4.120 0.000 0.000 0.291 203 V C 0.297 176.287 176.094 -0.174 0.000 1.018 203 V CA -0.634 61.544 62.300 -0.204 0.000 0.842 203 V CB 1.598 33.282 31.823 -0.232 0.000 0.996 203 V HN 0.541 nan 8.190 nan 0.000 0.426 204 I N 5.379 125.887 120.570 -0.103 0.000 2.336 204 I HA 0.395 4.565 4.170 0.000 0.000 0.292 204 I C -0.518 175.496 176.117 -0.172 0.000 0.991 204 I CA -0.621 60.603 61.300 -0.126 0.000 1.227 204 I CB 1.738 39.739 38.000 0.002 0.000 1.366 204 I HN 0.413 nan 8.210 nan 0.000 0.466 205 L N 6.624 127.672 121.223 -0.292 0.000 2.289 205 L HA 0.395 4.735 4.340 0.000 0.000 0.285 205 L C -0.249 176.543 176.870 -0.130 0.000 1.049 205 L CA 0.008 54.695 54.840 -0.255 0.000 0.804 205 L CB 1.108 42.928 42.059 -0.398 0.000 1.195 205 L HN 0.456 nan 8.230 nan 0.000 0.428 206 D N 4.510 124.818 120.400 -0.152 0.000 2.277 206 D HA 0.208 4.848 4.640 0.000 0.000 0.249 206 D C -0.025 176.188 176.300 -0.145 0.000 1.134 206 D CA 0.055 53.983 54.000 -0.121 0.000 0.863 206 D CB 1.053 41.758 40.800 -0.159 0.000 1.143 206 D HN 0.592 nan 8.370 nan 0.000 0.458 207 L N 3.129 124.286 121.223 -0.110 0.000 3.110 207 L HA 0.135 4.475 4.340 0.000 0.000 0.266 207 L C 0.478 177.210 176.870 -0.231 0.000 1.257 207 L CA -0.225 54.504 54.840 -0.187 0.000 1.038 207 L CB 0.565 42.500 42.059 -0.206 0.000 1.395 207 L HN 0.241 nan 8.230 nan 0.000 0.566 208 T N 1.950 116.374 114.554 -0.217 0.000 2.751 208 T HA 0.019 4.369 4.350 0.000 0.000 0.279 208 T C -1.521 173.009 174.700 -0.283 0.000 0.941 208 T CA -0.760 61.119 62.100 -0.368 0.000 1.192 208 T CB 0.698 69.403 68.868 -0.271 0.000 0.883 208 T HN 0.048 nan 8.240 nan 0.000 0.534 209 P HA -0.091 nan 4.420 nan 0.000 0.213 209 P C 0.786 178.081 177.300 -0.008 0.000 1.170 209 P CA 0.903 63.934 63.100 -0.113 0.000 0.898 209 P CB 0.152 31.793 31.700 -0.098 0.000 0.787 210 N N -0.757 117.629 118.700 -0.522 0.000 3.322 210 N HA 0.028 4.768 4.740 0.000 0.000 0.290 210 N C 0.180 175.500 175.510 -0.317 0.000 1.297 210 N CA -0.496 52.187 53.050 -0.611 0.000 1.167 210 N CB -0.910 36.754 38.487 -1.372 0.000 1.434 210 N HN 0.203 nan 8.380 nan 0.000 0.526 211 Y N -0.696 119.439 120.300 -0.276 0.000 2.529 211 Y HA 0.312 4.862 4.550 0.000 0.000 0.290 211 Y C 1.088 176.898 175.900 -0.150 0.000 1.177 211 Y CA 0.031 58.005 58.100 -0.211 0.000 1.305 211 Y CB 0.238 38.592 38.460 -0.176 0.000 1.047 211 Y HN 0.095 nan 8.280 nan 0.000 0.522 212 R N 0.574 120.780 120.500 -0.491 0.000 2.307 212 R HA 0.283 4.623 4.340 0.000 0.000 0.200 212 R C 0.956 177.127 176.300 -0.215 0.000 0.893 212 R CA 0.458 56.325 56.100 -0.388 0.000 1.042 212 R CB 0.639 30.673 30.300 -0.444 0.000 1.059 212 R HN 0.397 nan 8.270 nan 0.000 0.530 213 G N 0.404 109.082 108.800 -0.202 0.000 2.552 213 G HA2 0.151 4.111 3.960 0.000 0.000 0.318 213 G HA3 0.151 4.111 3.960 0.000 0.000 0.318 213 G C 0.159 174.987 174.900 -0.120 0.000 1.240 213 G CA -0.442 44.574 45.100 -0.140 0.000 1.002 213 G HN -0.025 nan 8.290 nan 0.000 0.493 214 E N -0.726 119.426 120.200 -0.079 0.000 2.170 214 E HA -0.063 4.287 4.350 0.000 0.000 0.191 214 E C 0.282 176.853 176.600 -0.049 0.000 0.981 214 E CA 0.127 56.496 56.400 -0.052 0.000 0.830 214 E CB 0.196 29.881 29.700 -0.025 0.000 0.775 214 E HN 0.315 nan 8.360 nan 0.000 0.470 215 N N 0.569 119.234 118.700 -0.058 0.000 2.462 215 N HA 0.052 4.792 4.740 0.000 0.000 0.242 215 N C 0.096 175.502 175.510 -0.173 0.000 1.010 215 N CA 0.072 53.096 53.050 -0.044 0.000 0.939 215 N CB 1.153 39.652 38.487 0.020 0.000 1.127 215 N HN -0.228 nan 8.380 nan 0.000 0.509 216 S N 2.311 117.893 115.700 -0.197 0.000 2.469 216 S HA -0.081 4.389 4.470 0.000 0.000 0.238 216 S C 0.285 174.418 174.600 -0.778 0.000 0.998 216 S CA 0.915 58.827 58.200 -0.480 0.000 0.957 216 S CB -0.124 62.788 63.200 -0.478 0.000 0.764 216 S HN 0.706 nan 8.310 nan 0.000 0.514 217 W N -0.078 121.122 121.300 -0.166 0.000 2.862 217 W HA 0.509 5.169 4.660 -0.000 0.000 0.426 217 W C 0.244 176.810 176.519 0.078 0.000 0.950 217 W CA -0.940 56.367 57.345 -0.062 0.000 2.150 217 W CB -0.720 28.751 29.460 0.019 0.000 1.161 217 W HN 0.111 nan 8.180 nan 0.000 0.696 218 F N -0.988 119.036 119.950 0.123 0.000 2.562 218 F HA -0.478 4.049 4.527 -0.000 0.000 0.696 218 F C 1.484 177.339 175.800 0.091 0.000 0.486 218 F CA 2.295 60.346 58.000 0.084 0.000 0.708 218 F CB -1.593 37.453 39.000 0.076 0.000 1.600 218 F HN 0.064 nan 8.300 nan 0.000 0.266 219 S N -2.425 113.467 115.700 0.319 0.000 2.724 219 S HA 0.477 4.947 4.470 0.000 0.000 0.278 219 S C 0.154 174.855 174.600 0.168 0.000 1.190 219 S CA -0.124 58.193 58.200 0.195 0.000 0.860 219 S CB 1.328 64.617 63.200 0.149 0.000 1.206 219 S HN 0.177 nan 8.310 nan 0.000 0.507 220 T N 1.357 115.978 114.554 0.112 0.000 3.072 220 T HA 0.106 4.456 4.350 0.000 0.000 0.266 220 T C 0.195 174.941 174.700 0.077 0.000 1.127 220 T CA 0.746 62.895 62.100 0.082 0.000 1.107 220 T CB -0.339 68.565 68.868 0.059 0.000 0.910 220 T HN 0.454 nan 8.240 nan 0.000 0.513 221 Q N 1.928 121.780 119.800 0.086 0.000 2.452 221 Q HA 0.237 4.577 4.340 0.000 0.000 0.230 221 Q C 0.894 176.943 176.000 0.083 0.000 1.180 221 Q CA -0.025 55.821 55.803 0.072 0.000 0.914 221 Q CB 0.880 29.653 28.738 0.058 0.000 1.408 221 Q HN 0.239 nan 8.270 nan 0.000 0.520 222 V N 1.787 121.745 119.914 0.072 0.000 2.339 222 V HA -0.180 3.940 4.120 0.000 0.000 0.234 222 V C 1.199 177.330 176.094 0.061 0.000 1.053 222 V CA 0.961 63.293 62.300 0.053 0.000 1.042 222 V CB -0.297 31.509 31.823 -0.029 0.000 0.678 222 V HN 0.645 nan 8.190 nan 0.000 0.475 223 D N 0.322 120.776 120.400 0.089 0.000 2.851 223 D HA -0.364 4.276 4.640 0.000 0.000 0.551 223 D C 1.829 178.175 176.300 0.077 0.000 0.649 223 D CA 3.071 57.127 54.000 0.093 0.000 1.555 223 D CB -1.238 39.601 40.800 0.065 0.000 0.307 223 D HN 0.495 nan 8.370 nan 0.000 0.315 224 T N 0.811 115.390 114.554 0.043 0.000 2.788 224 T HA -0.067 4.283 4.350 0.000 0.000 0.268 224 T C 2.207 176.925 174.700 0.030 0.000 1.044 224 T CA 1.688 63.800 62.100 0.019 0.000 1.139 224 T CB -0.352 68.500 68.868 -0.027 0.000 0.867 224 T HN 0.139 nan 8.240 nan 0.000 0.454 225 V N 1.610 121.557 119.914 0.055 0.000 2.453 225 V HA -0.058 4.062 4.120 0.000 0.000 0.247 225 V C 2.908 179.094 176.094 0.154 0.000 1.048 225 V CA 1.441 63.816 62.300 0.125 0.000 1.049 225 V CB -1.195 30.791 31.823 0.271 0.000 0.672 225 V HN 0.521 nan 8.190 nan 0.000 0.457 226 A N 0.101 122.994 122.820 0.121 0.000 1.969 226 A HA -0.158 4.162 4.320 0.000 0.000 0.218 226 A C 2.373 180.110 177.584 0.255 0.000 1.169 226 A CA 2.151 54.306 52.037 0.195 0.000 0.635 226 A CB -0.814 18.206 19.000 0.033 0.000 0.810 226 A HN 0.501 nan 8.150 nan 0.000 0.445 227 T N 0.210 114.864 114.554 0.167 0.000 2.821 227 T HA -0.118 4.232 4.350 0.000 0.000 0.267 227 T C 1.870 176.610 174.700 0.068 0.000 1.046 227 T CA 1.661 63.837 62.100 0.128 0.000 1.139 227 T CB -0.176 68.742 68.868 0.083 0.000 0.871 227 T HN 0.553 nan 8.240 nan 0.000 0.454 228 K N 0.663 121.085 120.400 0.036 0.000 2.097 228 K HA -0.042 4.278 4.320 0.000 0.000 0.206 228 K C 2.285 178.843 176.600 -0.070 0.000 1.049 228 K CA 0.942 57.217 56.287 -0.020 0.000 0.933 228 K CB -0.370 32.118 32.500 -0.020 0.000 0.717 228 K HN 0.163 nan 8.250 nan 0.000 0.442 229 V N 1.718 121.579 119.914 -0.088 0.000 2.427 229 V HA -0.216 3.904 4.120 0.000 0.000 0.248 229 V C 2.086 177.994 176.094 -0.310 0.000 1.051 229 V CA 1.540 63.661 62.300 -0.299 0.000 1.048 229 V CB -0.369 31.109 31.823 -0.575 0.000 0.666 229 V HN 0.270 nan 8.190 nan 0.000 0.456 230 K N 0.011 120.365 120.400 -0.077 0.000 2.032 230 K HA -0.228 4.092 4.320 0.000 0.000 0.209 230 K C 1.906 178.493 176.600 -0.022 0.000 1.048 230 K CA 1.959 58.260 56.287 0.024 0.000 0.927 230 K CB -0.309 32.293 32.500 0.169 0.000 0.712 230 K HN 0.455 nan 8.250 nan 0.000 0.441 231 D N 0.171 120.557 120.400 -0.023 0.000 2.149 231 D HA -0.084 4.556 4.640 0.000 0.000 0.201 231 D C 1.719 178.002 176.300 -0.028 0.000 0.972 231 D CA 1.031 55.019 54.000 -0.020 0.000 0.835 231 D CB -0.123 40.654 40.800 -0.039 0.000 0.966 231 D HN 0.197 nan 8.370 nan 0.000 0.476 232 A N 0.559 123.338 122.820 -0.068 0.000 1.898 232 A HA -0.097 4.223 4.320 0.000 0.000 0.216 232 A C 2.313 179.962 177.584 0.108 0.000 1.181 232 A CA 0.798 52.850 52.037 0.025 0.000 0.620 232 A CB -0.727 18.288 19.000 0.025 0.000 0.819 232 A HN 0.184 nan 8.150 nan 0.000 0.442 233 L N -0.634 120.482 121.223 -0.178 0.000 1.989 233 L HA -0.254 4.086 4.340 0.000 0.000 0.211 233 L C 2.630 179.506 176.870 0.011 0.000 1.071 233 L CA 1.991 56.636 54.840 -0.323 0.000 0.749 233 L CB -0.749 41.040 42.059 -0.450 0.000 0.890 233 L HN 0.455 nan 8.230 nan 0.000 0.431 234 E N -0.523 119.690 120.200 0.021 0.000 2.085 234 E HA -0.268 4.082 4.350 0.000 0.000 0.194 234 E C 1.972 178.610 176.600 0.063 0.000 0.994 234 E CA 1.590 58.028 56.400 0.062 0.000 0.801 234 E CB -0.215 29.532 29.700 0.077 0.000 0.743 234 E HN 0.386 nan 8.360 nan 0.000 0.453 235 F N -0.277 119.613 119.950 -0.100 0.000 2.084 235 F HA -0.155 4.372 4.527 0.000 0.000 0.296 235 F C 1.609 177.290 175.800 -0.199 0.000 1.111 235 F CA 1.507 59.374 58.000 -0.223 0.000 1.224 235 F CB -0.298 38.450 39.000 -0.420 0.000 0.991 235 F HN 0.001 nan 8.300 nan 0.000 0.471 236 W N 0.398 121.797 121.300 0.165 0.000 2.519 236 W HA 0.002 4.662 4.660 -0.000 0.000 0.266 236 W C 2.116 178.619 176.519 -0.027 0.000 1.253 236 W CA 0.398 57.801 57.345 0.096 0.000 1.274 236 W CB -0.334 29.320 29.460 0.322 0.000 1.114 236 W HN 0.042 nan 8.180 nan 0.000 0.596 237 L N -0.052 121.232 121.223 0.102 0.000 2.056 237 L HA -0.235 4.105 4.340 0.000 0.000 0.207 237 L C 2.441 179.045 176.870 -0.444 0.000 1.078 237 L CA 1.357 55.982 54.840 -0.358 0.000 0.749 237 L CB -0.806 40.746 42.059 -0.844 0.000 0.901 237 L HN 0.039 nan 8.230 nan 0.000 0.433 238 Q N -0.455 119.187 119.800 -0.263 0.000 2.224 238 Q HA -0.134 4.206 4.340 0.000 0.000 0.203 238 Q C 2.239 178.192 176.000 -0.079 0.000 0.970 238 Q CA 1.241 57.009 55.803 -0.059 0.000 0.865 238 Q CB -0.138 28.561 28.738 -0.064 0.000 0.922 238 Q HN 0.550 nan 8.270 nan 0.000 0.445 239 A N -0.044 122.695 122.820 -0.136 0.000 2.167 239 A HA 0.200 4.520 4.320 0.000 0.000 0.214 239 A C 1.463 179.114 177.584 0.111 0.000 1.151 239 A CA 1.026 53.055 52.037 -0.013 0.000 0.735 239 A CB -0.090 18.945 19.000 0.059 0.000 0.802 239 A HN 0.451 nan 8.150 nan 0.000 0.467 240 G N -1.115 107.726 108.800 0.068 0.000 2.141 240 G HA2 -0.029 3.931 3.960 0.000 0.000 0.164 240 G HA3 -0.029 3.931 3.960 0.000 0.000 0.164 240 G C 0.268 175.169 174.900 0.002 0.000 1.009 240 G CA 0.188 45.315 45.100 0.044 0.000 0.677 240 G HN 1.604 nan 8.290 nan 0.000 0.508 241 V N -2.234 117.683 119.914 0.006 0.000 3.003 241 V HA 0.632 4.752 4.120 0.000 0.000 0.305 241 V C 0.763 176.768 176.094 -0.149 0.000 1.078 241 V CA 0.359 62.597 62.300 -0.103 0.000 1.083 241 V CB 1.489 33.199 31.823 -0.189 0.000 1.039 241 V HN 0.078 nan 8.190 nan 0.000 0.481 242 D N 1.967 122.266 120.400 -0.168 0.000 2.363 242 D HA 0.424 5.064 4.640 0.000 0.000 0.214 242 D C 0.644 177.004 176.300 0.099 0.000 1.093 242 D CA 1.214 55.196 54.000 -0.030 0.000 0.837 242 D CB 1.074 41.742 40.800 -0.222 0.000 0.948 242 D HN 1.080 nan 8.370 nan 0.000 0.507 243 G N 0.006 108.683 108.800 -0.204 0.000 2.327 243 G HA2 0.355 4.315 3.960 0.000 0.000 0.291 243 G HA3 0.355 4.315 3.960 0.000 0.000 0.291 243 G C -1.935 172.580 174.900 -0.642 0.000 1.290 243 G CA -0.975 43.997 45.100 -0.213 0.000 0.857 243 G HN 0.013 nan 8.290 nan 0.000 0.520 244 F N -0.206 119.735 119.950 -0.015 0.000 2.613 244 F HA 0.738 5.265 4.527 -0.000 0.000 0.310 244 F C 0.023 175.793 175.800 -0.050 0.000 1.085 244 F CA -0.667 57.303 58.000 -0.049 0.000 0.945 244 F CB 2.765 41.728 39.000 -0.062 0.000 1.298 244 F HN 0.589 nan 8.300 nan 0.000 0.455 245 Q N 1.889 121.768 119.800 0.132 0.000 2.377 245 Q HA 0.831 5.171 4.340 0.000 0.000 0.271 245 Q C -1.853 174.188 176.000 0.068 0.000 1.077 245 Q CA -0.983 54.862 55.803 0.070 0.000 0.820 245 Q CB 2.800 31.546 28.738 0.014 0.000 1.347 245 Q HN 0.643 nan 8.270 nan 0.000 0.444 246 V N 0.066 120.041 119.914 0.103 0.000 2.733 246 V HA 0.688 4.808 4.120 0.000 0.000 0.306 246 V C -0.922 175.286 176.094 0.190 0.000 1.084 246 V CA -0.987 61.405 62.300 0.153 0.000 0.905 246 V CB 1.758 33.773 31.823 0.319 0.000 1.010 246 V HN 0.809 nan 8.190 nan 0.000 0.424 247 R N 1.349 121.934 120.500 0.142 0.000 2.782 247 R HA 0.573 4.913 4.340 0.000 0.000 0.258 247 R C -0.626 175.824 176.300 0.250 0.000 1.055 247 R CA -0.599 55.584 56.100 0.138 0.000 1.065 247 R CB 0.798 31.125 30.300 0.044 0.000 1.172 247 R HN 0.921 nan 8.270 nan 0.000 0.510 248 D N 1.341 121.864 120.400 0.206 0.000 2.689 248 D HA -0.165 4.475 4.640 0.000 0.000 0.237 248 D C 1.086 177.628 176.300 0.404 0.000 1.148 248 D CA 0.961 55.109 54.000 0.246 0.000 0.656 248 D CB -1.074 39.835 40.800 0.182 0.000 1.050 248 D HN 0.637 nan 8.370 nan 0.000 0.426 249 I N -1.720 119.027 120.570 0.294 0.000 2.567 249 I HA -0.234 3.936 4.170 0.000 0.000 0.257 249 I C 2.198 178.333 176.117 0.029 0.000 1.184 249 I CA 1.297 62.681 61.300 0.139 0.000 1.451 249 I CB -0.246 37.804 38.000 0.084 0.000 1.089 249 I HN -0.005 nan 8.210 nan 0.000 0.441 250 E N 2.461 122.704 120.200 0.071 0.000 2.265 250 E HA -0.256 4.094 4.350 0.000 0.000 0.196 250 E C 0.884 177.510 176.600 0.044 0.000 0.996 250 E CA 1.570 57.996 56.400 0.043 0.000 0.832 250 E CB -1.084 28.646 29.700 0.051 0.000 0.756 250 E HN 0.760 nan 8.360 nan 0.000 0.491 251 N N 0.261 119.018 118.700 0.096 0.000 2.398 251 N HA 0.078 4.818 4.740 0.000 0.000 0.188 251 N C -0.300 175.229 175.510 0.032 0.000 1.122 251 N CA -0.344 52.776 53.050 0.117 0.000 0.866 251 N CB 0.230 38.852 38.487 0.225 0.000 0.970 251 N HN 0.026 nan 8.380 nan 0.000 0.462 252 L N 1.787 122.905 121.223 -0.175 0.000 2.257 252 L HA 0.215 4.555 4.340 0.000 0.000 0.290 252 L C 0.145 176.898 176.870 -0.195 0.000 1.044 252 L CA -0.695 53.896 54.840 -0.414 0.000 0.810 252 L CB 0.689 42.196 42.059 -0.920 0.000 1.193 252 L HN -0.103 nan 8.230 nan 0.000 0.425 253 K N 4.559 124.893 120.400 -0.109 0.000 2.489 253 K HA -0.008 4.312 4.320 0.000 0.000 0.278 253 K C -0.221 176.411 176.600 0.053 0.000 1.000 253 K CA 0.316 56.594 56.287 -0.014 0.000 1.012 253 K CB 0.230 32.746 32.500 0.027 0.000 0.903 253 K HN 0.756 nan 8.250 nan 0.000 0.485 254 D N 2.277 122.699 120.400 0.037 0.000 2.708 254 D HA -0.248 4.392 4.640 0.000 0.000 0.236 254 D C 0.811 177.133 176.300 0.038 0.000 1.146 254 D CA 0.911 54.923 54.000 0.020 0.000 0.662 254 D CB -1.262 39.538 40.800 0.001 0.000 1.059 254 D HN 0.688 nan 8.370 nan 0.000 0.428 255 A N 0.561 123.368 122.820 -0.022 0.000 1.869 255 A HA -0.302 4.018 4.320 0.000 0.000 0.218 255 A C 2.370 179.900 177.584 -0.090 0.000 1.203 255 A CA 3.099 55.093 52.037 -0.072 0.000 0.638 255 A CB -0.824 18.120 19.000 -0.094 0.000 0.831 255 A HN 0.600 nan 8.150 nan 0.000 0.450 256 S N -0.301 115.339 115.700 -0.099 0.000 2.400 256 S HA -0.171 4.299 4.470 0.000 0.000 0.232 256 S C 1.991 176.479 174.600 -0.187 0.000 1.025 256 S CA 1.775 59.904 58.200 -0.118 0.000 0.993 256 S CB -0.812 62.330 63.200 -0.097 0.000 0.808 256 S HN 0.517 nan 8.310 nan 0.000 0.478 257 S N 1.569 117.115 115.700 -0.256 0.000 2.356 257 S HA 0.072 4.542 4.470 0.000 0.000 0.223 257 S C 1.466 175.724 174.600 -0.569 0.000 1.032 257 S CA 1.377 59.332 58.200 -0.408 0.000 1.005 257 S CB -0.609 62.275 63.200 -0.527 0.000 0.867 257 S HN 0.608 nan 8.310 nan 0.000 0.449 258 F N 1.428 121.049 119.950 -0.548 0.000 2.206 258 F HA 0.096 4.623 4.527 0.000 0.000 0.298 258 F C 1.983 177.102 175.800 -1.136 0.000 1.090 258 F CA 0.589 57.959 58.000 -1.049 0.000 1.323 258 F CB -0.470 37.705 39.000 -1.376 0.000 1.028 258 F HN 0.086 nan 8.300 nan 0.000 0.492 259 L N -0.467 120.499 121.223 -0.427 0.000 2.191 259 L HA -0.188 4.152 4.340 0.000 0.000 0.212 259 L C 2.640 179.457 176.870 -0.088 0.000 1.103 259 L CA 0.860 55.623 54.840 -0.128 0.000 0.769 259 L CB -0.859 41.187 42.059 -0.022 0.000 0.908 259 L HN 0.154 nan 8.230 nan 0.000 0.438 260 A N -0.151 122.569 122.820 -0.167 0.000 1.855 260 A HA -0.244 4.076 4.320 0.000 0.000 0.215 260 A C 2.289 179.819 177.584 -0.090 0.000 1.191 260 A CA 1.741 53.710 52.037 -0.112 0.000 0.613 260 A CB -0.480 18.436 19.000 -0.141 0.000 0.829 260 A HN 0.430 nan 8.150 nan 0.000 0.442 261 E N -1.098 118.990 120.200 -0.186 0.000 2.031 261 E HA -0.218 4.131 4.350 0.000 0.000 0.193 261 E C 1.852 178.499 176.600 0.078 0.000 0.994 261 E CA 1.462 57.798 56.400 -0.107 0.000 0.800 261 E CB -0.224 29.351 29.700 -0.208 0.000 0.752 261 E HN 0.768 nan 8.360 nan 0.000 0.447 262 W N 1.029 122.352 121.300 0.038 0.000 2.363 262 W HA -0.142 4.518 4.660 -0.000 0.000 0.296 262 W C 2.401 178.934 176.519 0.025 0.000 1.212 262 W CA 0.927 58.286 57.345 0.022 0.000 1.260 262 W CB -1.242 28.229 29.460 0.019 0.000 1.131 262 W HN 0.318 nan 8.180 nan 0.000 0.530 263 Q N 1.249 121.191 119.800 0.237 0.000 2.096 263 Q HA -0.192 4.148 4.340 0.000 0.000 0.204 263 Q C 1.703 177.782 176.000 0.133 0.000 0.982 263 Q CA 1.985 57.879 55.803 0.152 0.000 0.850 263 Q CB -0.692 28.102 28.738 0.094 0.000 0.901 263 Q HN 0.055 nan 8.270 nan 0.000 0.422 264 N N -0.117 118.651 118.700 0.113 0.000 2.244 264 N HA -0.073 4.667 4.740 0.000 0.000 0.183 264 N C 1.695 177.283 175.510 0.129 0.000 1.016 264 N CA 1.389 54.499 53.050 0.100 0.000 0.866 264 N CB -0.163 38.363 38.487 0.065 0.000 0.980 264 N HN 0.385 nan 8.380 nan 0.000 0.430 265 I N 0.600 121.263 120.570 0.155 0.000 2.202 265 I HA -0.210 3.960 4.170 0.000 0.000 0.242 265 I C 1.917 178.152 176.117 0.197 0.000 1.091 265 I CA 1.037 62.438 61.300 0.168 0.000 1.368 265 I CB -0.478 37.620 38.000 0.163 0.000 1.058 265 I HN 0.082 nan 8.210 nan 0.000 0.410 266 T N 0.753 115.423 114.554 0.194 0.000 2.708 266 T HA -0.136 4.214 4.350 0.000 0.000 0.266 266 T C 1.921 176.768 174.700 0.244 0.000 1.037 266 T CA 1.079 63.318 62.100 0.231 0.000 1.146 266 T CB -0.097 68.906 68.868 0.224 0.000 0.865 266 T HN 0.162 nan 8.240 nan 0.000 0.435 267 K N 0.907 121.423 120.400 0.194 0.000 2.211 267 K HA 0.068 4.388 4.320 0.000 0.000 0.203 267 K C 2.559 179.269 176.600 0.183 0.000 1.050 267 K CA 0.953 57.350 56.287 0.184 0.000 0.945 267 K CB -0.853 31.732 32.500 0.141 0.000 0.732 267 K HN 0.448 nan 8.250 nan 0.000 0.451 268 G N 0.648 109.556 108.800 0.181 0.000 2.418 268 G HA2 -0.261 3.699 3.960 0.000 0.000 0.217 268 G HA3 -0.261 3.699 3.960 0.000 0.000 0.217 268 G C 1.495 176.505 174.900 0.183 0.000 1.158 268 G CA 0.292 45.486 45.100 0.157 0.000 0.771 268 G HN 0.203 nan 8.290 nan 0.000 0.545 269 F N 1.198 121.211 119.950 0.106 0.000 2.046 269 F HA 0.132 4.659 4.527 0.000 0.000 0.297 269 F C 1.313 177.174 175.800 0.102 0.000 1.123 269 F CA 1.696 59.760 58.000 0.106 0.000 1.199 269 F CB 0.035 39.115 39.000 0.134 0.000 0.972 269 F HN 0.173 nan 8.300 nan 0.000 0.474 270 S N -1.257 114.635 115.700 0.321 0.000 2.537 270 S HA 0.223 4.693 4.470 0.000 0.000 0.271 270 S C 0.203 174.941 174.600 0.231 0.000 1.148 270 S CA -0.751 57.576 58.200 0.213 0.000 0.868 270 S CB 1.196 64.550 63.200 0.256 0.000 1.115 270 S HN 0.176 nan 8.310 nan 0.000 0.461 271 E N 1.416 121.719 120.200 0.171 0.000 2.338 271 E HA -0.042 4.308 4.350 0.000 0.000 0.197 271 E C -0.073 176.685 176.600 0.264 0.000 1.007 271 E CA 0.561 57.068 56.400 0.178 0.000 0.849 271 E CB -0.066 29.691 29.700 0.096 0.000 0.774 271 E HN 0.553 nan 8.360 nan 0.000 0.506 272 D N 0.989 121.561 120.400 0.287 0.000 3.060 272 D HA 0.074 4.714 4.640 0.000 0.000 0.245 272 D C -0.529 176.151 176.300 0.634 0.000 1.274 272 D CA -0.015 54.237 54.000 0.420 0.000 0.864 272 D CB -0.066 40.926 40.800 0.320 0.000 1.073 272 D HN -0.162 nan 8.370 nan 0.000 0.473 273 R N 0.540 121.360 120.500 0.532 0.000 2.621 273 R HA 0.424 4.764 4.340 0.000 0.000 0.284 273 R C -1.057 175.238 176.300 -0.009 0.000 0.998 273 R CA -0.983 55.335 56.100 0.364 0.000 0.895 273 R CB 2.110 32.596 30.300 0.311 0.000 1.195 273 R HN 0.112 nan 8.270 nan 0.000 0.450 274 L N 2.382 123.469 121.223 -0.226 0.000 2.330 274 L HA 0.626 4.966 4.340 0.000 0.000 0.271 274 L C -1.393 175.343 176.870 -0.223 0.000 1.013 274 L CA -0.869 53.576 54.840 -0.657 0.000 0.816 274 L CB 1.712 43.076 42.059 -1.158 0.000 1.287 274 L HN 0.533 nan 8.230 nan 0.000 0.435 275 L N 4.922 126.020 121.223 -0.208 0.000 2.376 275 L HA 0.631 4.971 4.340 0.000 0.000 0.275 275 L C -1.231 175.596 176.870 -0.073 0.000 0.987 275 L CA -0.072 54.753 54.840 -0.026 0.000 0.828 275 L CB 1.340 43.445 42.059 0.077 0.000 1.249 275 L HN 0.547 nan 8.230 nan 0.000 0.409 276 I N 4.669 125.220 120.570 -0.032 0.000 2.377 276 I HA 0.761 4.931 4.170 0.000 0.000 0.293 276 I C 0.072 176.210 176.117 0.034 0.000 0.987 276 I CA -0.488 60.791 61.300 -0.036 0.000 1.185 276 I CB 1.799 39.770 38.000 -0.049 0.000 1.341 276 I HN 0.764 nan 8.210 nan 0.000 0.455 277 A N 4.121 126.959 122.820 0.031 0.000 2.355 277 A HA 0.925 5.245 4.320 0.000 0.000 0.324 277 A C -0.264 177.345 177.584 0.042 0.000 1.117 277 A CA -0.605 51.476 52.037 0.075 0.000 0.785 277 A CB 1.593 20.647 19.000 0.090 0.000 1.254 277 A HN 0.823 nan 8.150 nan 0.000 0.453 278 G N -0.327 108.516 108.800 0.072 0.000 2.617 278 G HA2 0.585 4.545 3.960 0.000 0.000 0.306 278 G HA3 0.585 4.545 3.960 0.000 0.000 0.306 278 G C -0.784 174.158 174.900 0.070 0.000 1.360 278 G CA -0.093 45.035 45.100 0.047 0.000 0.983 278 G HN 0.923 nan 8.290 nan 0.000 0.496 279 T N -0.087 114.493 114.554 0.043 0.000 2.906 279 T HA 0.373 4.723 4.350 0.000 0.000 0.295 279 T C 0.409 175.137 174.700 0.046 0.000 1.075 279 T CA -0.791 61.341 62.100 0.054 0.000 1.005 279 T CB 1.517 70.409 68.868 0.040 0.000 1.136 279 T HN 0.273 nan 8.240 nan 0.000 0.498 280 N N 1.259 119.994 118.700 0.058 0.000 2.373 280 N HA 0.090 4.830 4.740 0.000 0.000 0.181 280 N C 0.653 176.193 175.510 0.051 0.000 1.082 280 N CA 0.098 53.183 53.050 0.060 0.000 0.885 280 N CB 0.324 38.852 38.487 0.069 0.000 0.977 280 N HN 0.485 nan 8.380 nan 0.000 0.462 281 S N 0.122 115.850 115.700 0.047 0.000 2.593 281 S HA 0.185 4.655 4.470 0.000 0.000 0.269 281 S C 1.178 175.812 174.600 0.057 0.000 1.334 281 S CA -0.269 57.960 58.200 0.049 0.000 1.015 281 S CB 0.631 63.858 63.200 0.044 0.000 0.912 281 S HN 0.348 nan 8.310 nan 0.000 0.541 282 S N 1.332 117.078 115.700 0.077 0.000 2.733 282 S HA 0.194 4.664 4.470 0.000 0.000 0.247 282 S C -0.264 174.452 174.600 0.193 0.000 1.043 282 S CA -0.472 57.807 58.200 0.131 0.000 1.066 282 S CB -0.138 63.107 63.200 0.074 0.000 1.045 282 S HN 0.718 nan 8.310 nan 0.000 0.586 283 D N 1.651 122.126 120.400 0.125 0.000 2.390 283 D HA 0.234 4.874 4.640 0.000 0.000 0.249 283 D C 1.026 177.397 176.300 0.119 0.000 1.144 283 D CA -0.415 53.657 54.000 0.119 0.000 0.880 283 D CB 0.936 41.778 40.800 0.070 0.000 1.182 283 D HN 0.069 nan 8.370 nan 0.000 0.451 284 L N 3.807 125.118 121.223 0.146 0.000 2.056 284 L HA -0.143 4.197 4.340 0.000 0.000 0.207 284 L C 1.807 178.682 176.870 0.009 0.000 1.078 284 L CA 1.849 56.735 54.840 0.076 0.000 0.749 284 L CB -0.578 41.559 42.059 0.129 0.000 0.901 284 L HN 0.520 nan 8.230 nan 0.000 0.433 285 Q N -0.831 118.981 119.800 0.020 0.000 2.167 285 Q HA -0.192 4.148 4.340 0.000 0.000 0.202 285 Q C 2.246 178.240 176.000 -0.009 0.000 0.970 285 Q CA 1.573 57.374 55.803 -0.003 0.000 0.855 285 Q CB -0.295 28.445 28.738 0.004 0.000 0.911 285 Q HN 0.643 nan 8.270 nan 0.000 0.438 286 Q N -0.126 119.678 119.800 0.005 0.000 2.167 286 Q HA -0.108 4.232 4.340 0.000 0.000 0.202 286 Q C 1.691 177.685 176.000 -0.010 0.000 0.970 286 Q CA 0.912 56.716 55.803 0.001 0.000 0.855 286 Q CB 0.076 28.824 28.738 0.016 0.000 0.911 286 Q HN 0.436 nan 8.270 nan 0.000 0.438 287 I N 0.083 120.644 120.570 -0.014 0.000 2.333 287 I HA -0.252 3.918 4.170 0.000 0.000 0.246 287 I C 2.012 178.100 176.117 -0.050 0.000 1.106 287 I CA 0.634 61.917 61.300 -0.028 0.000 1.411 287 I CB -0.027 37.950 38.000 -0.037 0.000 1.082 287 I HN 0.221 nan 8.210 nan 0.000 0.420 288 L N 0.361 121.541 121.223 -0.070 0.000 2.083 288 L HA -0.195 4.145 4.340 0.000 0.000 0.209 288 L C 2.800 179.627 176.870 -0.073 0.000 1.083 288 L CA 1.605 56.386 54.840 -0.098 0.000 0.752 288 L CB -0.596 41.395 42.059 -0.112 0.000 0.899 288 L HN 0.363 nan 8.230 nan 0.000 0.433 289 S N 0.008 115.676 115.700 -0.053 0.000 2.382 289 S HA -0.163 4.307 4.470 0.000 0.000 0.228 289 S C 1.940 176.511 174.600 -0.049 0.000 1.027 289 S CA 0.900 59.072 58.200 -0.047 0.000 0.991 289 S CB -0.686 62.492 63.200 -0.037 0.000 0.823 289 S HN 0.354 nan 8.310 nan 0.000 0.469 290 L N 0.651 121.847 121.223 -0.044 0.000 2.046 290 L HA 0.016 4.356 4.340 0.000 0.000 0.208 290 L C 2.602 179.444 176.870 -0.047 0.000 1.077 290 L CA 1.179 55.993 54.840 -0.042 0.000 0.747 290 L CB -0.560 41.481 42.059 -0.030 0.000 0.896 290 L HN 0.304 nan 8.230 nan 0.000 0.432 291 L N -0.626 120.565 121.223 -0.053 0.000 2.291 291 L HA -0.147 4.193 4.340 0.000 0.000 0.214 291 L C 2.391 179.226 176.870 -0.058 0.000 1.120 291 L CA 0.418 55.223 54.840 -0.058 0.000 0.799 291 L CB -0.307 41.703 42.059 -0.082 0.000 0.925 291 L HN 0.226 nan 8.230 nan 0.000 0.446 292 E N -0.179 119.985 120.200 -0.061 0.000 2.333 292 E HA -0.187 4.163 4.350 0.000 0.000 0.198 292 E C 2.134 178.702 176.600 -0.053 0.000 1.007 292 E CA 1.044 57.410 56.400 -0.057 0.000 0.845 292 E CB 0.027 29.694 29.700 -0.056 0.000 0.766 292 E HN 0.332 nan 8.360 nan 0.000 0.507 293 S N -0.281 115.385 115.700 -0.056 0.000 2.406 293 S HA -0.131 4.339 4.470 0.000 0.000 0.211 293 S C 0.595 175.167 174.600 -0.046 0.000 1.045 293 S CA 1.145 59.309 58.200 -0.061 0.000 1.058 293 S CB -0.227 62.931 63.200 -0.071 0.000 1.044 293 S HN 0.331 nan 8.310 nan 0.000 0.413 294 N N -0.249 118.431 118.700 -0.033 0.000 2.531 294 N HA 0.370 5.110 4.740 0.000 0.000 0.268 294 N C -0.289 175.220 175.510 -0.002 0.000 1.023 294 N CA -0.394 52.648 53.050 -0.013 0.000 0.896 294 N CB 1.178 39.662 38.487 -0.004 0.000 1.233 294 N HN 0.123 nan 8.380 nan 0.000 0.512 295 K N 1.526 121.927 120.400 0.002 0.000 2.439 295 K HA 0.003 4.323 4.320 0.000 0.000 0.197 295 K C 0.377 177.000 176.600 0.039 0.000 1.041 295 K CA 0.819 57.110 56.287 0.006 0.000 0.970 295 K CB 0.148 32.648 32.500 0.001 0.000 0.773 295 K HN 0.506 nan 8.250 nan 0.000 0.479 296 D N -0.209 120.226 120.400 0.059 0.000 2.325 296 D HA 0.040 4.680 4.640 0.000 0.000 0.234 296 D C -0.774 175.580 176.300 0.091 0.000 1.122 296 D CA 0.008 54.072 54.000 0.106 0.000 0.850 296 D CB 0.127 40.998 40.800 0.118 0.000 0.921 296 D HN 0.135 nan 8.370 nan 0.000 0.513 297 L N 0.658 121.908 121.223 0.044 0.000 2.282 297 L HA 0.401 4.741 4.340 0.000 0.000 0.288 297 L C -0.831 176.032 176.870 -0.011 0.000 1.033 297 L CA -0.743 54.103 54.840 0.009 0.000 0.807 297 L CB 1.037 43.103 42.059 0.011 0.000 1.209 297 L HN -0.155 nan 8.230 nan 0.000 0.423 298 L N 5.456 126.649 121.223 -0.050 0.000 2.380 298 L HA 0.310 4.650 4.340 0.000 0.000 0.273 298 L C -0.649 176.171 176.870 -0.083 0.000 1.138 298 L CA -0.318 54.475 54.840 -0.079 0.000 0.832 298 L CB 1.386 43.372 42.059 -0.121 0.000 1.124 298 L HN 0.549 nan 8.230 nan 0.000 0.454 299 L N 3.663 124.818 121.223 -0.114 0.000 2.406 299 L HA 0.392 4.732 4.340 0.000 0.000 0.270 299 L C 0.097 176.877 176.870 -0.150 0.000 0.982 299 L CA -0.066 54.715 54.840 -0.098 0.000 0.843 299 L CB 1.866 43.882 42.059 -0.071 0.000 1.225 299 L HN 0.639 nan 8.230 nan 0.000 0.412 300 T N 1.145 115.631 114.554 -0.113 0.000 2.909 300 T HA 0.908 5.258 4.350 0.000 0.000 0.286 300 T C 0.089 174.740 174.700 -0.082 0.000 1.002 300 T CA -0.004 62.024 62.100 -0.121 0.000 1.074 300 T CB 1.504 70.317 68.868 -0.091 0.000 0.984 300 T HN 0.788 nan 8.240 nan 0.000 0.495 301 S N 0.529 116.179 115.700 -0.085 0.000 2.703 301 S HA 0.507 4.977 4.470 0.000 0.000 0.273 301 S C -0.126 174.436 174.600 -0.062 0.000 1.178 301 S CA -0.998 57.173 58.200 -0.047 0.000 0.838 301 S CB 0.948 64.125 63.200 -0.037 0.000 1.178 301 S HN 0.580 nan 8.310 nan 0.000 0.494 302 S N 0.278 115.949 115.700 -0.049 0.000 2.573 302 S HA 0.211 4.681 4.470 0.000 0.000 0.244 302 S C 0.581 175.139 174.600 -0.070 0.000 0.984 302 S CA -0.506 57.606 58.200 -0.147 0.000 1.001 302 S CB -0.864 62.258 63.200 -0.131 0.000 0.788 302 S HN 0.595 nan 8.310 nan 0.000 0.456 303 Y N 1.990 122.217 120.300 -0.121 0.000 2.207 303 Y HA -0.077 4.473 4.550 0.000 0.000 0.287 303 Y C 1.486 177.355 175.900 -0.053 0.000 1.156 303 Y CA 1.497 59.554 58.100 -0.072 0.000 1.182 303 Y CB -0.059 38.349 38.460 -0.086 0.000 0.979 303 Y HN 0.272 nan 8.280 nan 0.000 0.521 304 L N -0.473 120.684 121.223 -0.109 0.000 2.492 304 L HA 0.016 4.356 4.340 0.000 0.000 0.223 304 L C 0.728 177.518 176.870 -0.134 0.000 1.132 304 L CA 0.034 54.792 54.840 -0.137 0.000 0.850 304 L CB -0.253 41.821 42.059 0.024 0.000 0.966 304 L HN -0.030 nan 8.230 nan 0.000 0.454 305 S N 1.238 116.798 115.700 -0.233 0.000 2.686 305 S HA 0.104 4.574 4.470 0.000 0.000 0.324 305 S C -0.147 174.386 174.600 -0.112 0.000 1.172 305 S CA 0.140 58.169 58.200 -0.284 0.000 1.127 305 S CB -0.164 62.664 63.200 -0.620 0.000 1.338 305 S HN 0.219 nan 8.310 nan 0.000 0.547 306 D N 1.873 122.244 120.400 -0.049 0.000 2.826 306 D HA 0.139 4.779 4.640 0.000 0.000 0.239 306 D C 0.206 176.514 176.300 0.014 0.000 1.329 306 D CA -0.301 53.681 54.000 -0.031 0.000 0.854 306 D CB 0.224 40.969 40.800 -0.092 0.000 1.494 306 D HN 0.398 nan 8.370 nan 0.000 0.540 307 S N 0.727 116.449 115.700 0.037 0.000 2.607 307 S HA 0.801 5.271 4.470 0.000 0.000 0.272 307 S C 1.578 176.218 174.600 0.066 0.000 1.166 307 S CA 0.509 58.752 58.200 0.072 0.000 1.021 307 S CB 0.906 64.132 63.200 0.043 0.000 1.113 307 S HN 1.097 nan 8.310 nan 0.000 0.531 308 G N 0.867 109.721 108.800 0.089 0.000 3.099 308 G HA2 -0.329 3.631 3.960 0.000 0.000 0.331 308 G HA3 -0.329 3.631 3.960 0.000 0.000 0.331 308 G C 0.486 175.432 174.900 0.077 0.000 1.216 308 G CA 0.553 45.699 45.100 0.076 0.000 0.977 308 G HN 1.619 nan 8.290 nan 0.000 0.600 309 S N 1.598 117.318 115.700 0.034 0.000 2.443 309 S HA 0.574 5.044 4.470 0.000 0.000 0.284 309 S C 0.953 175.545 174.600 -0.014 0.000 1.206 309 S CA 1.119 59.325 58.200 0.011 0.000 1.074 309 S CB 0.429 63.618 63.200 -0.018 0.000 0.963 309 S HN 0.824 nan 8.310 nan 0.000 0.501 310 T N 3.459 118.021 114.554 0.013 0.000 3.451 310 T HA 0.545 4.895 4.350 0.000 0.000 0.201 310 T C 1.034 175.720 174.700 -0.024 0.000 0.965 310 T CA 0.174 62.267 62.100 -0.012 0.000 1.088 310 T CB -0.888 68.017 68.868 0.062 0.000 1.251 310 T HN 1.035 nan 8.240 nan 0.000 0.325 311 G N 2.545 111.350 108.800 0.010 0.000 2.552 311 G HA2 -0.296 3.664 3.960 0.000 0.000 0.265 311 G HA3 -0.296 3.664 3.960 0.000 0.000 0.265 311 G C 0.174 175.009 174.900 -0.107 0.000 1.234 311 G CA 0.470 45.571 45.100 0.001 0.000 0.944 311 G HN 0.892 nan 8.290 nan 0.000 0.568 312 E N -0.199 119.956 120.200 -0.076 0.000 2.311 312 E HA 0.308 4.658 4.350 0.000 0.000 0.198 312 E C 1.290 177.787 176.600 -0.171 0.000 1.115 312 E CA 0.625 56.934 56.400 -0.151 0.000 1.140 312 E CB -0.002 29.666 29.700 -0.054 0.000 1.204 312 E HN 0.768 nan 8.360 nan 0.000 0.446 313 H N 0.901 119.827 119.070 -0.240 0.000 2.387 313 H HA -0.087 4.469 4.556 0.000 0.000 0.299 313 H C 1.471 176.608 175.328 -0.319 0.000 1.090 313 H CA 2.479 58.393 56.048 -0.223 0.000 1.332 313 H CB 0.186 29.841 29.762 -0.178 0.000 1.386 313 H HN 0.181 nan 8.280 nan 0.000 0.516 314 T N 0.465 114.785 114.554 -0.389 0.000 2.746 314 T HA -0.171 4.179 4.350 0.000 0.000 0.267 314 T C 1.908 176.161 174.700 -0.744 0.000 1.039 314 T CA 1.493 63.267 62.100 -0.543 0.000 1.142 314 T CB -0.172 68.261 68.868 -0.724 0.000 0.866 314 T HN 0.379 nan 8.240 nan 0.000 0.444 315 K N 1.258 121.122 120.400 -0.894 0.000 2.044 315 K HA -0.183 4.137 4.320 0.000 0.000 0.210 315 K C 2.596 178.889 176.600 -0.511 0.000 1.049 315 K CA 1.930 57.565 56.287 -1.087 0.000 0.927 315 K CB -0.284 31.883 32.500 -0.555 0.000 0.713 315 K HN 0.434 nan 8.250 nan 0.000 0.443 316 S N 0.885 116.372 115.700 -0.356 0.000 2.355 316 S HA -0.126 4.344 4.470 0.000 0.000 0.222 316 S C 2.162 176.652 174.600 -0.182 0.000 1.031 316 S CA 0.992 59.063 58.200 -0.215 0.000 0.993 316 S CB -0.657 62.412 63.200 -0.219 0.000 0.859 316 S HN 0.380 nan 8.310 nan 0.000 0.453 317 L N 1.037 122.078 121.223 -0.304 0.000 2.051 317 L HA -0.133 4.207 4.340 0.000 0.000 0.214 317 L C 2.760 179.702 176.870 0.120 0.000 1.076 317 L CA 1.590 56.320 54.840 -0.185 0.000 0.758 317 L CB -0.724 41.080 42.059 -0.425 0.000 0.890 317 L HN 0.293 nan 8.230 nan 0.000 0.433 318 V N -0.628 119.274 119.914 -0.019 0.000 2.323 318 V HA -0.221 3.899 4.120 0.000 0.000 0.244 318 V C 2.645 178.858 176.094 0.199 0.000 1.041 318 V CA 2.133 64.489 62.300 0.094 0.000 1.025 318 V CB -0.860 30.847 31.823 -0.194 0.000 0.656 318 V HN 0.655 nan 8.190 nan 0.000 0.451 319 T N -1.783 112.853 114.554 0.136 0.000 2.867 319 T HA -0.245 4.105 4.350 0.000 0.000 0.268 319 T C 1.788 176.583 174.700 0.158 0.000 1.057 319 T CA 1.410 63.625 62.100 0.190 0.000 1.136 319 T CB -0.344 68.632 68.868 0.180 0.000 0.874 319 T HN 0.494 nan 8.240 nan 0.000 0.466 320 Q N -0.371 119.511 119.800 0.137 0.000 2.084 320 Q HA -0.076 4.264 4.340 0.000 0.000 0.202 320 Q C 2.030 178.115 176.000 0.140 0.000 0.978 320 Q CA 1.586 57.464 55.803 0.124 0.000 0.844 320 Q CB -0.334 28.475 28.738 0.119 0.000 0.898 320 Q HN 0.722 nan 8.270 nan 0.000 0.426 321 Y N 0.882 121.241 120.300 0.098 0.000 2.163 321 Y HA -0.163 4.387 4.550 -0.000 0.000 0.288 321 Y C 1.815 177.709 175.900 -0.011 0.000 1.136 321 Y CA 1.187 59.283 58.100 -0.007 0.000 1.147 321 Y CB -0.028 38.423 38.460 -0.015 0.000 0.987 321 Y HN -0.001 nan 8.280 nan 0.000 0.509 322 L N 0.070 121.419 121.223 0.210 0.000 2.131 322 L HA -0.241 4.099 4.340 0.000 0.000 0.210 322 L C 2.135 179.016 176.870 0.019 0.000 1.092 322 L CA 1.744 56.646 54.840 0.104 0.000 0.759 322 L CB -0.640 41.525 42.059 0.176 0.000 0.903 322 L HN 0.319 nan 8.230 nan 0.000 0.435 323 N N -0.329 118.395 118.700 0.040 0.000 2.084 323 N HA -0.175 4.565 4.740 0.000 0.000 0.190 323 N C 1.831 177.316 175.510 -0.042 0.000 1.030 323 N CA 1.366 54.429 53.050 0.021 0.000 0.849 323 N CB -0.030 38.480 38.487 0.040 0.000 1.012 323 N HN 0.308 nan 8.380 nan 0.000 0.423 324 A N -0.560 122.196 122.820 -0.106 0.000 1.930 324 A HA -0.064 4.256 4.320 0.000 0.000 0.215 324 A C 2.039 179.504 177.584 -0.199 0.000 1.176 324 A CA 1.712 53.660 52.037 -0.148 0.000 0.632 324 A CB -0.840 18.051 19.000 -0.181 0.000 0.819 324 A HN 0.506 nan 8.150 nan 0.000 0.445 325 T N -3.873 110.504 114.554 -0.296 0.000 3.129 325 T HA 0.382 4.732 4.350 0.000 0.000 0.251 325 T C 1.296 175.911 174.700 -0.142 0.000 1.117 325 T CA 0.957 62.881 62.100 -0.293 0.000 1.034 325 T CB -0.166 68.406 68.868 -0.493 0.000 0.968 325 T HN 1.631 nan 8.240 nan 0.000 0.526 326 G N 2.726 111.475 108.800 -0.085 0.000 2.176 326 G HA2 -0.337 3.623 3.960 0.000 0.000 0.252 326 G HA3 -0.337 3.623 3.960 0.000 0.000 0.252 326 G C 0.239 175.143 174.900 0.008 0.000 1.024 326 G CA -0.046 45.039 45.100 -0.024 0.000 0.755 326 G HN 0.657 nan 8.290 nan 0.000 0.507 327 N N -1.053 117.648 118.700 0.001 0.000 2.727 327 N HA -0.177 4.563 4.740 0.000 0.000 0.249 327 N C 0.662 176.206 175.510 0.057 0.000 1.048 327 N CA 1.507 54.583 53.050 0.043 0.000 0.714 327 N CB -0.396 38.147 38.487 0.093 0.000 0.959 327 N HN 0.742 nan 8.380 nan 0.000 0.544 328 R N -0.131 120.384 120.500 0.025 0.000 2.560 328 R HA 0.181 4.521 4.340 0.000 0.000 0.270 328 R C 0.716 177.072 176.300 0.094 0.000 1.074 328 R CA -0.434 55.712 56.100 0.078 0.000 1.140 328 R CB 0.958 31.287 30.300 0.050 0.000 1.073 328 R HN 0.227 nan 8.270 nan 0.000 0.527 329 W N 2.620 123.903 121.300 -0.030 0.000 2.231 329 W HA 0.059 4.719 4.660 0.000 0.000 0.341 329 W C -0.182 176.265 176.519 -0.120 0.000 1.298 329 W CA 0.118 57.408 57.345 -0.091 0.000 1.266 329 W CB 0.556 29.957 29.460 -0.099 0.000 1.172 329 W HN 0.689 nan 8.180 nan 0.000 0.568 330 C N 2.397 121.309 119.300 -0.645 0.000 3.276 330 C HA 0.747 5.207 4.460 0.000 0.000 0.370 330 C C -0.013 174.486 174.990 -0.818 0.000 1.624 330 C CA -0.390 58.302 59.018 -0.544 0.000 1.179 330 C CB 1.220 28.681 27.740 -0.465 0.000 1.909 330 C HN 0.752 nan 8.230 nan 0.000 0.434 331 S N -0.986 114.256 115.700 -0.763 0.000 2.621 331 S HA 0.837 5.307 4.470 0.000 0.000 0.302 331 S C -1.637 172.397 174.600 -0.943 0.000 1.093 331 S CA -0.387 57.403 58.200 -0.683 0.000 1.017 331 S CB 0.887 63.863 63.200 -0.373 0.000 1.077 331 S HN 0.935 nan 8.310 nan 0.000 0.517 332 W N 1.278 122.376 121.300 -0.337 0.000 2.619 332 W HA 0.626 5.286 4.660 -0.000 0.000 0.327 332 W C -0.026 176.306 176.519 -0.313 0.000 1.027 332 W CA -0.371 56.783 57.345 -0.318 0.000 1.233 332 W CB 2.160 31.431 29.460 -0.314 0.000 1.370 332 W HN 1.099 nan 8.180 nan 0.000 0.453 333 S N 1.260 116.965 115.700 0.008 0.000 2.672 333 S HA 0.493 4.963 4.470 0.000 0.000 0.271 333 S C -0.569 174.005 174.600 -0.043 0.000 1.171 333 S CA -0.924 57.228 58.200 -0.081 0.000 0.817 333 S CB 1.423 64.542 63.200 -0.135 0.000 1.150 333 S HN 0.325 nan 8.310 nan 0.000 0.478 334 L N 1.168 122.342 121.223 -0.083 0.000 2.590 334 L HA 0.396 4.736 4.340 0.000 0.000 0.227 334 L C 0.728 177.372 176.870 -0.376 0.000 1.099 334 L CA 0.811 55.507 54.840 -0.241 0.000 0.872 334 L CB -0.687 41.240 42.059 -0.221 0.000 1.088 334 L HN 1.063 nan 8.230 nan 0.000 0.479 335 S N -2.324 113.299 115.700 -0.128 0.000 2.611 335 S HA 0.155 4.625 4.470 0.000 0.000 0.270 335 S C 0.267 174.867 174.600 0.000 0.000 1.131 335 S CA -0.507 57.673 58.200 -0.033 0.000 0.826 335 S CB 1.253 64.572 63.200 0.199 0.000 1.095 335 S HN 0.194 nan 8.310 nan 0.000 0.461 336 Q N 0.425 120.236 119.800 0.018 0.000 2.224 336 Q HA 0.268 4.608 4.340 0.000 0.000 0.203 336 Q C 1.258 177.266 176.000 0.014 0.000 0.970 336 Q CA 1.386 57.195 55.803 0.010 0.000 0.865 336 Q CB -0.198 28.555 28.738 0.026 0.000 0.922 336 Q HN 1.026 nan 8.270 nan 0.000 0.445 337 A N -0.125 122.717 122.820 0.036 0.000 1.704 337 A HA 0.233 4.553 4.320 0.000 0.000 0.205 337 A C 0.582 178.174 177.584 0.013 0.000 1.837 337 A CA -0.507 51.540 52.037 0.017 0.000 1.364 337 A CB 0.279 19.288 19.000 0.015 0.000 1.377 337 A HN 0.056 nan 8.150 nan 0.000 0.390 338 R N 0.216 120.750 120.500 0.057 0.000 2.774 338 R HA 0.409 4.749 4.340 0.000 0.000 0.269 338 R C -0.535 175.787 176.300 0.037 0.000 1.068 338 R CA -0.151 55.959 56.100 0.018 0.000 1.180 338 R CB 0.216 30.513 30.300 -0.005 0.000 1.077 338 R HN 0.372 nan 8.270 nan 0.000 0.513 339 L N 1.532 122.722 121.223 -0.056 0.000 2.472 339 L HA 0.003 4.343 4.340 0.000 0.000 0.260 339 L C 2.001 178.908 176.870 0.061 0.000 1.209 339 L CA -0.049 54.768 54.840 -0.037 0.000 0.817 339 L CB 0.270 42.256 42.059 -0.121 0.000 1.106 339 L HN 0.564 nan 8.230 nan 0.000 0.479 340 L N 0.067 121.351 121.223 0.101 0.000 2.046 340 L HA -0.188 4.152 4.340 0.000 0.000 0.208 340 L C 2.555 179.457 176.870 0.053 0.000 1.077 340 L CA 1.712 56.639 54.840 0.144 0.000 0.747 340 L CB -0.712 41.431 42.059 0.140 0.000 0.896 340 L HN 0.967 nan 8.230 nan 0.000 0.432 341 T N -4.393 110.145 114.554 -0.027 0.000 2.929 341 T HA -0.136 4.214 4.350 0.000 0.000 0.271 341 T C 1.895 176.505 174.700 -0.150 0.000 1.085 341 T CA 1.321 63.376 62.100 -0.075 0.000 1.125 341 T CB -0.335 68.483 68.868 -0.085 0.000 0.874 341 T HN 0.194 nan 8.240 nan 0.000 0.494 342 S N 0.891 116.430 115.700 -0.268 0.000 2.399 342 S HA 0.106 4.576 4.470 0.000 0.000 0.231 342 S C 1.233 175.467 174.600 -0.610 0.000 1.022 342 S CA 1.010 58.900 58.200 -0.517 0.000 0.983 342 S CB -0.395 62.314 63.200 -0.818 0.000 0.803 342 S HN 0.697 nan 8.310 nan 0.000 0.480 343 F N 0.261 120.166 119.950 -0.076 0.000 2.553 343 F HA 0.411 4.938 4.527 0.000 0.000 0.282 343 F C 0.587 176.320 175.800 -0.113 0.000 1.089 343 F CA -0.205 57.742 58.000 -0.089 0.000 1.411 343 F CB 0.166 39.106 39.000 -0.101 0.000 1.125 343 F HN -0.053 nan 8.300 nan 0.000 0.610 344 L N 1.589 122.828 121.223 0.027 0.000 2.334 344 L HA 0.454 4.794 4.340 0.000 0.000 0.275 344 L C -2.379 174.469 176.870 -0.037 0.000 1.036 344 L CA -2.164 52.644 54.840 -0.054 0.000 0.807 344 L CB 0.930 42.897 42.059 -0.154 0.000 1.231 344 L HN -0.262 nan 8.230 nan 0.000 0.438 345 P HA 0.142 nan 4.420 nan 0.000 0.274 345 P C 0.240 177.518 177.300 -0.037 0.000 1.231 345 P CA -0.375 62.708 63.100 -0.029 0.000 0.790 345 P CB 0.988 32.676 31.700 -0.019 0.000 0.951 346 A N 2.899 125.693 122.820 -0.043 0.000 1.903 346 A HA -0.266 4.054 4.320 0.000 0.000 0.219 346 A C 1.562 179.118 177.584 -0.047 0.000 1.191 346 A CA 2.224 54.236 52.037 -0.040 0.000 0.638 346 A CB -1.444 17.531 19.000 -0.042 0.000 0.823 346 A HN 0.695 nan 8.150 nan 0.000 0.451 347 Q N -0.372 119.374 119.800 -0.089 0.000 2.291 347 Q HA 0.428 4.768 4.340 0.000 0.000 0.211 347 Q C 0.588 176.482 176.000 -0.177 0.000 0.925 347 Q CA 0.583 56.294 55.803 -0.152 0.000 0.949 347 Q CB -0.490 28.102 28.738 -0.243 0.000 1.015 347 Q HN 0.602 nan 8.270 nan 0.000 0.477 348 L N -0.705 120.492 121.223 -0.044 0.000 2.966 348 L HA 0.279 4.619 4.340 0.000 0.000 0.262 348 L C 1.040 178.011 176.870 0.169 0.000 1.165 348 L CA -0.009 54.881 54.840 0.083 0.000 0.978 348 L CB 0.308 42.469 42.059 0.170 0.000 1.337 348 L HN 0.289 nan 8.230 nan 0.000 0.563 349 L N -0.568 120.713 121.223 0.098 0.000 2.109 349 L HA -0.100 4.240 4.340 0.000 0.000 0.207 349 L C 2.554 179.528 176.870 0.174 0.000 1.086 349 L CA 1.208 56.128 54.840 0.133 0.000 0.760 349 L CB -0.304 41.804 42.059 0.081 0.000 0.910 349 L HN 0.279 nan 8.230 nan 0.000 0.437 350 R N -0.382 120.190 120.500 0.121 0.000 2.075 350 R HA -0.156 4.184 4.340 0.000 0.000 0.232 350 R C 2.206 178.571 176.300 0.109 0.000 1.126 350 R CA 1.036 57.201 56.100 0.108 0.000 0.963 350 R CB -0.493 29.844 30.300 0.062 0.000 0.858 350 R HN 0.144 nan 8.270 nan 0.000 0.435 351 L N -0.020 121.252 121.223 0.082 0.000 1.989 351 L HA -0.204 4.136 4.340 0.000 0.000 0.211 351 L C 1.936 178.829 176.870 0.039 0.000 1.071 351 L CA 1.797 56.626 54.840 -0.018 0.000 0.749 351 L CB -0.571 41.393 42.059 -0.157 0.000 0.890 351 L HN 0.105 nan 8.230 nan 0.000 0.431 352 Y N -0.668 119.680 120.300 0.080 0.000 2.274 352 Y HA -0.247 4.303 4.550 0.000 0.000 0.290 352 Y C 2.719 178.733 175.900 0.189 0.000 1.145 352 Y CA 1.536 59.729 58.100 0.155 0.000 1.203 352 Y CB -0.152 38.411 38.460 0.172 0.000 0.984 352 Y HN 0.346 nan 8.280 nan 0.000 0.533 353 Q N -0.547 119.464 119.800 0.351 0.000 2.046 353 Q HA -0.207 4.133 4.340 0.000 0.000 0.200 353 Q C 2.256 178.472 176.000 0.361 0.000 0.975 353 Q CA 1.515 57.546 55.803 0.379 0.000 0.836 353 Q CB -0.381 28.557 28.738 0.332 0.000 0.896 353 Q HN 0.443 nan 8.270 nan 0.000 0.428 354 L N 0.505 121.861 121.223 0.221 0.000 2.012 354 L HA -0.210 4.130 4.340 0.000 0.000 0.210 354 L C 2.251 179.222 176.870 0.168 0.000 1.073 354 L CA 1.822 56.757 54.840 0.158 0.000 0.748 354 L CB -0.609 41.486 42.059 0.059 0.000 0.891 354 L HN 0.257 nan 8.230 nan 0.000 0.431 355 M N -1.150 118.530 119.600 0.133 0.000 2.065 355 M HA -0.247 4.233 4.480 0.000 0.000 0.259 355 M C 2.196 178.525 176.300 0.048 0.000 1.071 355 M CA 2.131 57.505 55.300 0.123 0.000 1.109 355 M CB -0.251 32.397 32.600 0.080 0.000 1.313 355 M HN 0.364 nan 8.290 nan 0.000 0.408 356 L N -0.756 120.501 121.223 0.056 0.000 2.127 356 L HA -0.230 4.110 4.340 0.000 0.000 0.211 356 L C 2.197 179.019 176.870 -0.081 0.000 1.089 356 L CA 1.432 56.240 54.840 -0.053 0.000 0.757 356 L CB -0.755 41.297 42.059 -0.012 0.000 0.899 356 L HN 0.328 nan 8.230 nan 0.000 0.434 357 F N -0.166 119.828 119.950 0.075 0.000 2.661 357 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 357 F C 2.218 178.009 175.800 -0.015 0.000 1.137 357 F CA 1.199 59.217 58.000 0.030 0.000 1.454 357 F CB 0.075 39.062 39.000 -0.022 0.000 1.103 357 F HN 0.156 nan 8.300 nan 0.000 0.577 358 T N -3.222 111.422 114.554 0.151 0.000 3.043 358 T HA 0.311 4.661 4.350 0.000 0.000 0.272 358 T C 0.341 175.088 174.700 0.078 0.000 0.990 358 T CA -0.130 62.055 62.100 0.142 0.000 0.897 358 T CB -0.361 68.637 68.868 0.216 0.000 1.111 358 T HN -0.098 nan 8.240 nan 0.000 0.529 359 L N 2.969 124.101 121.223 -0.153 0.000 2.418 359 L HA 0.418 4.758 4.340 0.000 0.000 0.265 359 L C -2.052 174.664 176.870 -0.258 0.000 1.143 359 L CA -2.605 51.952 54.840 -0.472 0.000 0.809 359 L CB 0.702 42.144 42.059 -1.028 0.000 1.124 359 L HN -0.013 nan 8.230 nan 0.000 0.456 360 P HA 0.192 nan 4.420 nan 0.000 0.269 360 P C -0.066 177.014 177.300 -0.366 0.000 1.263 360 P CA 0.407 63.381 63.100 -0.209 0.000 0.813 360 P CB 0.616 32.202 31.700 -0.190 0.000 0.868 361 G N 2.536 110.857 108.800 -0.799 0.000 2.346 361 G HA2 0.028 3.988 3.960 0.000 0.000 0.294 361 G HA3 0.028 3.988 3.960 0.000 0.000 0.294 361 G C -1.318 173.184 174.900 -0.663 0.000 1.294 361 G CA -0.783 43.434 45.100 -1.473 0.000 0.962 361 G HN 0.361 nan 8.290 nan 0.000 0.508 362 T N 3.529 117.789 114.554 -0.490 0.000 2.744 362 T HA 0.646 4.996 4.350 0.000 0.000 0.291 362 T C -2.382 172.228 174.700 -0.149 0.000 0.957 362 T CA -0.663 61.386 62.100 -0.084 0.000 1.002 362 T CB 1.843 70.793 68.868 0.136 0.000 0.919 362 T HN 0.521 nan 8.240 nan 0.000 0.468 363 P HA 0.454 nan 4.420 nan 0.000 0.288 363 P C -1.170 175.857 177.300 -0.456 0.000 1.267 363 P CA -0.572 62.307 63.100 -0.367 0.000 0.815 363 P CB 1.111 32.485 31.700 -0.543 0.000 0.989 364 V N 4.179 123.732 119.914 -0.602 0.000 2.483 364 V HA 0.445 4.565 4.120 0.000 0.000 0.297 364 V C -0.266 175.493 176.094 -0.558 0.000 1.027 364 V CA -0.321 61.735 62.300 -0.407 0.000 0.855 364 V CB 0.784 32.489 31.823 -0.197 0.000 0.995 364 V HN 0.382 nan 8.190 nan 0.000 0.424 365 F N 0.964 120.956 119.950 0.069 0.000 2.556 365 F HA 0.660 5.187 4.527 -0.000 0.000 0.327 365 F C 0.787 176.552 175.800 -0.059 0.000 1.059 365 F CA -0.649 57.388 58.000 0.062 0.000 0.953 365 F CB 2.024 41.147 39.000 0.205 0.000 1.227 365 F HN 0.345 nan 8.300 nan 0.000 0.478 366 S N -0.007 115.741 115.700 0.080 0.000 2.616 366 S HA 0.297 4.767 4.470 0.000 0.000 0.277 366 S C -1.090 173.334 174.600 -0.293 0.000 1.234 366 S CA -0.710 57.403 58.200 -0.144 0.000 1.028 366 S CB 0.554 63.651 63.200 -0.171 0.000 0.988 366 S HN 0.483 nan 8.310 nan 0.000 0.522 367 Y N 0.330 120.337 120.300 -0.488 0.000 2.717 367 Y HA 0.423 4.973 4.550 -0.000 0.000 0.330 367 Y C 1.174 177.008 175.900 -0.110 0.000 1.217 367 Y CA 0.250 58.083 58.100 -0.446 0.000 1.506 367 Y CB -0.368 37.943 38.460 -0.248 0.000 1.268 367 Y HN 0.864 nan 8.280 nan 0.000 0.561 368 G N 2.726 111.546 108.800 0.033 0.000 2.238 368 G HA2 -0.309 3.651 3.960 0.000 0.000 0.217 368 G HA3 -0.309 3.651 3.960 0.000 0.000 0.217 368 G C 0.724 175.566 174.900 -0.097 0.000 0.996 368 G CA 0.203 45.264 45.100 -0.065 0.000 0.632 368 G HN 0.605 nan 8.290 nan 0.000 0.503 369 D N 1.345 121.694 120.400 -0.086 0.000 2.219 369 D HA -0.041 4.599 4.640 0.000 0.000 0.205 369 D C 2.456 178.670 176.300 -0.144 0.000 0.970 369 D CA 1.306 55.280 54.000 -0.044 0.000 0.851 369 D CB -0.098 40.765 40.800 0.105 0.000 0.943 369 D HN 0.770 nan 8.370 nan 0.000 0.488 370 E N 1.322 121.306 120.200 -0.361 0.000 2.268 370 E HA -0.151 4.199 4.350 0.000 0.000 0.195 370 E C 1.981 178.444 176.600 -0.228 0.000 0.995 370 E CA 0.694 56.710 56.400 -0.640 0.000 0.836 370 E CB -0.369 28.708 29.700 -1.038 0.000 0.763 370 E HN 0.483 nan 8.360 nan 0.000 0.491 371 I N -3.981 116.511 120.570 -0.131 0.000 4.025 371 I HA 0.501 4.671 4.170 0.000 0.000 0.336 371 I C 0.989 177.074 176.117 -0.054 0.000 1.390 371 I CA 0.096 61.352 61.300 -0.072 0.000 1.099 371 I CB 0.671 38.624 38.000 -0.079 0.000 1.049 371 I HN 0.037 nan 8.210 nan 0.000 0.394 372 G N 2.725 111.496 108.800 -0.048 0.000 2.225 372 G HA2 -0.275 3.685 3.960 0.000 0.000 0.264 372 G HA3 -0.275 3.685 3.960 0.000 0.000 0.264 372 G C -0.182 174.681 174.900 -0.061 0.000 1.060 372 G CA 0.228 45.307 45.100 -0.035 0.000 0.833 372 G HN 0.434 nan 8.290 nan 0.000 0.498 373 L N 0.804 121.977 121.223 -0.082 0.000 2.499 373 L HA 0.521 4.861 4.340 0.000 0.000 0.273 373 L C 0.085 176.890 176.870 -0.108 0.000 1.195 373 L CA 0.032 54.809 54.840 -0.104 0.000 0.882 373 L CB 0.933 42.917 42.059 -0.124 0.000 1.133 373 L HN 0.240 nan 8.230 nan 0.000 0.483 374 D N 3.286 123.620 120.400 -0.110 0.000 2.502 374 D HA 0.414 5.054 4.640 0.000 0.000 0.249 374 D C 0.432 176.663 176.300 -0.116 0.000 1.092 374 D CA 0.181 54.115 54.000 -0.110 0.000 0.839 374 D CB 2.189 42.929 40.800 -0.099 0.000 1.264 374 D HN 0.686 nan 8.370 nan 0.000 0.511 375 A N 3.542 126.294 122.820 -0.113 0.000 1.858 375 A HA 0.157 4.477 4.320 0.000 0.000 0.216 375 A C 1.278 178.808 177.584 -0.089 0.000 1.190 375 A CA 1.501 53.480 52.037 -0.096 0.000 0.617 375 A CB -0.626 18.317 19.000 -0.095 0.000 0.827 375 A HN 0.633 nan 8.150 nan 0.000 0.443 376 A N -2.915 119.851 122.820 -0.090 0.000 2.406 376 A HA 0.501 4.821 4.320 0.000 0.000 0.243 376 A C 1.439 178.964 177.584 -0.100 0.000 1.082 376 A CA 0.688 52.675 52.037 -0.083 0.000 0.786 376 A CB -0.199 18.757 19.000 -0.074 0.000 1.029 376 A HN 2.306 nan 8.150 nan 0.000 0.495 377 A N -0.495 122.265 122.820 -0.099 0.000 3.384 377 A HA -0.135 4.185 4.320 0.000 0.000 0.260 377 A C 0.200 177.665 177.584 -0.198 0.000 1.168 377 A CA 1.299 53.261 52.037 -0.125 0.000 1.253 377 A CB -2.397 16.531 19.000 -0.120 0.000 1.122 377 A HN 1.215 nan 8.150 nan 0.000 0.934 378 L N 0.252 121.356 121.223 -0.199 0.000 2.457 378 L HA 0.377 4.717 4.340 0.000 0.000 0.252 378 L C -2.633 174.185 176.870 -0.088 0.000 1.132 378 L CA -2.032 52.626 54.840 -0.304 0.000 0.938 378 L CB 1.504 43.347 42.059 -0.359 0.000 1.246 378 L HN -0.029 nan 8.230 nan 0.000 0.476 379 P HA -0.001 nan 4.420 nan 0.000 0.260 379 P C 0.760 178.113 177.300 0.088 0.000 1.172 379 P CA 0.735 63.855 63.100 0.033 0.000 0.760 379 P CB 0.547 32.276 31.700 0.048 0.000 0.773 380 G N 1.831 110.663 108.800 0.053 0.000 2.385 380 G HA2 -0.221 3.739 3.960 0.000 0.000 0.294 380 G HA3 -0.221 3.739 3.960 0.000 0.000 0.294 380 G C -0.419 174.527 174.900 0.077 0.000 1.070 380 G CA -0.192 44.942 45.100 0.056 0.000 1.172 380 G HN 0.684 nan 8.290 nan 0.000 0.516 381 Q N -0.238 119.596 119.800 0.057 0.000 2.377 381 Q HA 0.612 4.952 4.340 0.000 0.000 0.279 381 Q C -2.611 173.406 176.000 0.029 0.000 1.049 381 Q CA -1.838 54.005 55.803 0.067 0.000 0.825 381 Q CB 2.607 31.408 28.738 0.105 0.000 1.401 381 Q HN 0.216 nan 8.270 nan 0.000 0.404 382 P HA 0.189 nan 4.420 nan 0.000 0.275 382 P C -0.249 177.044 177.300 -0.012 0.000 1.228 382 P CA -0.132 62.974 63.100 0.009 0.000 0.786 382 P CB 0.652 32.364 31.700 0.021 0.000 0.927 383 M N 0.145 119.723 119.600 -0.036 0.000 2.394 383 M HA -0.083 4.397 4.480 0.000 0.000 0.264 383 M C 1.869 178.128 176.300 -0.068 0.000 1.073 383 M CA 1.386 56.645 55.300 -0.068 0.000 1.111 383 M CB -0.407 32.141 32.600 -0.088 0.000 1.401 383 M HN 0.504 nan 8.290 nan 0.000 0.448 384 E N 1.019 121.199 120.200 -0.034 0.000 2.016 384 E HA -0.046 4.304 4.350 0.000 0.000 0.190 384 E C 0.376 176.978 176.600 0.003 0.000 0.985 384 E CA 1.122 57.512 56.400 -0.017 0.000 0.802 384 E CB 0.192 29.897 29.700 0.009 0.000 0.762 384 E HN 0.396 nan 8.360 nan 0.000 0.448 385 A N 2.298 125.147 122.820 0.048 0.000 3.204 385 A HA 0.352 4.672 4.320 0.000 0.000 0.327 385 A C -2.546 175.118 177.584 0.133 0.000 0.998 385 A CA -1.343 50.775 52.037 0.135 0.000 0.891 385 A CB 0.466 19.559 19.000 0.154 0.000 1.061 385 A HN 0.134 nan 8.150 nan 0.000 0.478 386 P HA 0.207 nan 4.420 nan 0.000 0.275 386 P C 0.180 177.583 177.300 0.172 0.000 1.228 386 P CA 0.099 63.247 63.100 0.080 0.000 0.786 386 P CB 1.246 32.937 31.700 -0.016 0.000 0.927 387 V N 4.100 124.112 119.914 0.164 0.000 2.599 387 V HA -0.048 4.072 4.120 0.000 0.000 0.300 387 V C 1.146 177.308 176.094 0.114 0.000 1.034 387 V CA 0.223 62.620 62.300 0.161 0.000 1.115 387 V CB 0.087 32.023 31.823 0.188 0.000 0.934 387 V HN 0.606 nan 8.190 nan 0.000 0.485 388 M N 6.435 126.079 119.600 0.073 0.000 2.238 388 M HA 0.304 4.784 4.480 0.000 0.000 0.347 388 M C -0.562 175.533 176.300 -0.341 0.000 1.173 388 M CA 0.515 55.722 55.300 -0.155 0.000 1.147 388 M CB 0.260 32.632 32.600 -0.381 0.000 1.547 388 M HN 0.461 nan 8.290 nan 0.000 0.455 389 L N 6.047 127.031 121.223 -0.398 0.000 2.321 389 L HA 0.223 4.563 4.340 0.000 0.000 0.272 389 L C -0.430 176.243 176.870 -0.327 0.000 1.050 389 L CA -0.218 54.472 54.840 -0.250 0.000 0.893 389 L CB 0.216 42.194 42.059 -0.134 0.000 1.272 389 L HN 0.946 nan 8.230 nan 0.000 0.435 390 W N 1.117 122.370 121.300 -0.077 0.000 2.481 390 W HA -0.029 4.631 4.660 -0.000 0.000 0.293 390 W C 0.770 177.248 176.519 -0.068 0.000 1.201 390 W CA 0.221 57.494 57.345 -0.121 0.000 1.328 390 W CB 0.223 29.583 29.460 -0.167 0.000 1.112 390 W HN 0.556 nan 8.180 nan 0.000 0.546 391 D N -3.619 116.895 120.400 0.190 0.000 3.103 391 D HA 0.085 4.725 4.640 0.000 0.000 0.337 391 D C 0.389 176.749 176.300 0.101 0.000 1.356 391 D CA -0.606 53.462 54.000 0.113 0.000 0.951 391 D CB 0.432 41.292 40.800 0.100 0.000 1.438 391 D HN -0.313 nan 8.370 nan 0.000 0.562 392 E N -0.546 119.701 120.200 0.079 0.000 2.204 392 E HA -0.066 4.284 4.350 0.000 0.000 0.195 392 E C 1.627 178.288 176.600 0.102 0.000 0.990 392 E CA 1.702 58.149 56.400 0.078 0.000 0.821 392 E CB -0.112 29.621 29.700 0.054 0.000 0.750 392 E HN 0.431 nan 8.360 nan 0.000 0.477 393 S N -1.305 114.454 115.700 0.099 0.000 2.603 393 S HA 0.082 4.552 4.470 0.000 0.000 0.220 393 S C 1.782 176.486 174.600 0.174 0.000 0.967 393 S CA 0.355 58.613 58.200 0.096 0.000 0.920 393 S CB 0.216 63.448 63.200 0.054 0.000 0.773 393 S HN -0.003 nan 8.310 nan 0.000 0.529 394 S N 0.756 116.588 115.700 0.220 0.000 2.402 394 S HA 0.180 4.650 4.470 0.000 0.000 0.229 394 S C 0.078 174.875 174.600 0.329 0.000 1.021 394 S CA 0.512 58.881 58.200 0.282 0.000 0.974 394 S CB -0.282 63.056 63.200 0.231 0.000 0.800 394 S HN 0.675 nan 8.310 nan 0.000 0.484 395 F N 3.181 123.206 119.950 0.124 0.000 2.443 395 F HA 0.381 4.908 4.527 -0.000 0.000 0.369 395 F C -2.084 173.764 175.800 0.080 0.000 1.090 395 F CA -2.280 55.782 58.000 0.103 0.000 1.129 395 F CB 1.619 40.650 39.000 0.050 0.000 1.367 395 F HN -0.058 nan 8.300 nan 0.000 0.465 396 P HA -0.035 nan 4.420 nan 0.000 0.222 396 P C 0.970 178.167 177.300 -0.172 0.000 1.157 396 P CA 0.856 63.897 63.100 -0.099 0.000 0.816 396 P CB 0.464 32.079 31.700 -0.141 0.000 0.813 397 D N 1.143 121.288 120.400 -0.424 0.000 2.160 397 D HA -0.141 4.499 4.640 0.000 0.000 0.189 397 D C 0.950 177.196 176.300 -0.089 0.000 1.003 397 D CA 1.299 55.100 54.000 -0.331 0.000 0.846 397 D CB -0.405 40.065 40.800 -0.550 0.000 0.949 397 D HN 0.320 nan 8.370 nan 0.000 0.446 398 I N 1.411 122.037 120.570 0.093 0.000 2.420 398 I HA 0.130 4.300 4.170 0.000 0.000 0.282 398 I C -1.585 174.688 176.117 0.260 0.000 1.019 398 I CA -1.779 59.662 61.300 0.236 0.000 1.130 398 I CB 2.467 40.669 38.000 0.336 0.000 1.262 398 I HN -0.173 nan 8.210 nan 0.000 0.454 399 P HA -0.133 nan 4.420 nan 0.000 0.210 399 P C 1.496 178.861 177.300 0.109 0.000 1.189 399 P CA 1.536 64.704 63.100 0.113 0.000 0.920 399 P CB 0.172 31.907 31.700 0.058 0.000 0.782 400 G N -0.486 108.357 108.800 0.072 0.000 2.598 400 G HA2 -0.050 3.910 3.960 0.000 0.000 0.215 400 G HA3 -0.050 3.910 3.960 0.000 0.000 0.215 400 G C 1.711 176.628 174.900 0.027 0.000 1.131 400 G CA 0.693 45.819 45.100 0.043 0.000 0.785 400 G HN 0.403 nan 8.290 nan 0.000 0.539 401 A N -0.156 122.684 122.820 0.032 0.000 1.972 401 A HA 0.222 4.542 4.320 0.000 0.000 0.219 401 A C 1.197 178.735 177.584 -0.077 0.000 1.169 401 A CA 0.744 52.759 52.037 -0.036 0.000 0.635 401 A CB -0.140 18.812 19.000 -0.080 0.000 0.810 401 A HN 0.202 nan 8.150 nan 0.000 0.446 402 V N 0.876 120.765 119.914 -0.042 0.000 2.567 402 V HA 0.494 4.614 4.120 0.000 0.000 0.289 402 V C 0.454 176.543 176.094 -0.008 0.000 1.049 402 V CA 0.166 62.440 62.300 -0.044 0.000 0.969 402 V CB 1.401 33.223 31.823 -0.002 0.000 0.995 402 V HN 0.602 nan 8.190 nan 0.000 0.471 403 S N 3.191 118.880 115.700 -0.018 0.000 2.709 403 S HA 0.760 5.230 4.470 0.000 0.000 0.302 403 S C 0.851 175.450 174.600 -0.002 0.000 1.127 403 S CA -0.054 58.143 58.200 -0.005 0.000 0.905 403 S CB 1.876 65.070 63.200 -0.011 0.000 1.151 403 S HN 0.930 nan 8.310 nan 0.000 0.510 404 A N 1.332 124.154 122.820 0.004 0.000 1.930 404 A HA -0.089 4.231 4.320 0.000 0.000 0.217 404 A C 1.902 179.488 177.584 0.003 0.000 1.175 404 A CA 1.553 53.595 52.037 0.009 0.000 0.627 404 A CB -1.595 17.412 19.000 0.013 0.000 0.815 404 A HN 0.992 nan 8.150 nan 0.000 0.443 405 N N -1.120 117.578 118.700 -0.002 0.000 2.512 405 N HA -0.043 4.697 4.740 0.000 0.000 0.183 405 N C 1.439 176.940 175.510 -0.016 0.000 1.073 405 N CA 0.885 53.932 53.050 -0.005 0.000 0.911 405 N CB -0.249 38.236 38.487 -0.005 0.000 0.964 405 N HN 0.479 nan 8.380 nan 0.000 0.447 406 M N 0.953 120.538 119.600 -0.025 0.000 2.556 406 M HA 0.040 4.520 4.480 0.000 0.000 0.245 406 M C 0.479 176.749 176.300 -0.050 0.000 1.128 406 M CA 0.360 55.634 55.300 -0.043 0.000 1.069 406 M CB 0.284 32.849 32.600 -0.059 0.000 1.469 406 M HN 0.239 nan 8.290 nan 0.000 0.494 407 T N -3.320 111.215 114.554 -0.031 0.000 2.944 407 T HA 0.388 4.738 4.350 0.000 0.000 0.284 407 T C 1.115 175.802 174.700 -0.023 0.000 1.010 407 T CA -0.996 61.084 62.100 -0.034 0.000 1.025 407 T CB 1.943 70.814 68.868 0.005 0.000 1.079 407 T HN -0.139 nan 8.240 nan 0.000 0.516 408 V N 1.282 121.175 119.914 -0.035 0.000 2.261 408 V HA -0.115 4.005 4.120 0.000 0.000 0.246 408 V C 2.854 178.988 176.094 0.065 0.000 1.047 408 V CA 2.251 64.561 62.300 0.017 0.000 1.015 408 V CB -0.928 30.898 31.823 0.006 0.000 0.642 408 V HN 1.043 nan 8.190 nan 0.000 0.446 409 K N 0.400 120.844 120.400 0.073 0.000 2.020 409 K HA -0.192 4.128 4.320 0.000 0.000 0.212 409 K C 2.121 178.751 176.600 0.049 0.000 1.050 409 K CA 2.043 58.370 56.287 0.068 0.000 0.929 409 K CB -0.775 31.764 32.500 0.066 0.000 0.714 409 K HN 0.470 nan 8.250 nan 0.000 0.443 410 G N 0.046 108.868 108.800 0.037 0.000 2.408 410 G HA2 -0.232 3.728 3.960 0.000 0.000 0.217 410 G HA3 -0.232 3.728 3.960 0.000 0.000 0.217 410 G C 1.238 176.154 174.900 0.027 0.000 1.150 410 G CA 0.539 45.656 45.100 0.027 0.000 0.776 410 G HN 0.422 nan 8.290 nan 0.000 0.542 411 Q N 0.395 120.212 119.800 0.028 0.000 2.378 411 Q HA 0.056 4.396 4.340 0.000 0.000 0.205 411 Q C 2.692 178.719 176.000 0.045 0.000 0.954 411 Q CA 0.668 56.489 55.803 0.030 0.000 0.901 411 Q CB 0.134 28.886 28.738 0.023 0.000 0.981 411 Q HN 0.400 nan 8.270 nan 0.000 0.483 412 S N 0.647 116.381 115.700 0.058 0.000 2.453 412 S HA -0.093 4.377 4.470 0.000 0.000 0.231 412 S C 1.445 176.074 174.600 0.049 0.000 1.005 412 S CA 0.733 58.973 58.200 0.067 0.000 0.949 412 S CB 0.077 63.328 63.200 0.086 0.000 0.774 412 S HN 0.339 nan 8.310 nan 0.000 0.510 413 E N 1.391 121.615 120.200 0.039 0.000 2.030 413 E HA -0.001 4.349 4.350 0.000 0.000 0.189 413 E C 0.582 177.199 176.600 0.027 0.000 0.974 413 E CA 0.427 56.845 56.400 0.031 0.000 0.807 413 E CB -0.642 29.074 29.700 0.026 0.000 0.771 413 E HN 0.322 nan 8.360 nan 0.000 0.451 414 D N 1.881 122.296 120.400 0.025 0.000 2.382 414 D HA -0.008 4.632 4.640 0.000 0.000 0.259 414 D C -1.810 174.504 176.300 0.024 0.000 1.224 414 D CA -1.688 52.325 54.000 0.022 0.000 0.894 414 D CB 1.236 42.047 40.800 0.019 0.000 1.127 414 D HN -0.182 nan 8.370 nan 0.000 0.487 415 P HA 0.035 nan 4.420 nan 0.000 0.223 415 P C 1.175 178.487 177.300 0.020 0.000 1.151 415 P CA 0.632 63.745 63.100 0.021 0.000 0.787 415 P CB 0.267 31.977 31.700 0.017 0.000 0.788 416 G N -0.304 108.507 108.800 0.018 0.000 2.848 416 G HA2 -0.050 3.910 3.960 0.000 0.000 0.208 416 G HA3 -0.050 3.910 3.960 0.000 0.000 0.208 416 G C 0.671 175.583 174.900 0.021 0.000 1.152 416 G CA 0.178 45.288 45.100 0.018 0.000 0.789 416 G HN 0.413 nan 8.290 nan 0.000 0.531 417 S N -0.430 115.284 115.700 0.024 0.000 2.617 417 S HA 0.249 4.719 4.470 0.000 0.000 0.259 417 S C 1.334 175.956 174.600 0.036 0.000 1.301 417 S CA -0.514 57.701 58.200 0.026 0.000 0.984 417 S CB 1.022 64.237 63.200 0.026 0.000 0.954 417 S HN -0.030 nan 8.310 nan 0.000 0.572 418 L N 0.403 121.648 121.223 0.037 0.000 2.109 418 L HA 0.145 4.485 4.340 0.000 0.000 0.207 418 L C 2.141 179.060 176.870 0.081 0.000 1.086 418 L CA 1.371 56.246 54.840 0.057 0.000 0.760 418 L CB -1.276 40.809 42.059 0.044 0.000 0.910 418 L HN 0.829 nan 8.230 nan 0.000 0.437 419 L N -1.337 119.918 121.223 0.053 0.000 2.083 419 L HA -0.144 4.196 4.340 0.000 0.000 0.209 419 L C 2.414 179.341 176.870 0.095 0.000 1.083 419 L CA 1.811 56.687 54.840 0.060 0.000 0.752 419 L CB -0.763 41.321 42.059 0.043 0.000 0.899 419 L HN 0.223 nan 8.230 nan 0.000 0.433 420 S N -0.650 115.090 115.700 0.068 0.000 2.368 420 S HA -0.132 4.338 4.470 0.000 0.000 0.224 420 S C 1.792 176.417 174.600 0.041 0.000 1.029 420 S CA 1.375 59.605 58.200 0.051 0.000 0.988 420 S CB -0.473 62.748 63.200 0.035 0.000 0.838 420 S HN 0.450 nan 8.310 nan 0.000 0.462 421 L N 0.981 122.234 121.223 0.050 0.000 1.989 421 L HA -0.042 4.298 4.340 0.000 0.000 0.211 421 L C 1.917 178.782 176.870 -0.008 0.000 1.071 421 L CA 1.754 56.608 54.840 0.023 0.000 0.749 421 L CB -0.828 41.260 42.059 0.048 0.000 0.890 421 L HN 0.327 nan 8.230 nan 0.000 0.431 422 F N 0.199 120.094 119.950 -0.091 0.000 2.095 422 F HA -0.273 4.254 4.527 0.000 0.000 0.298 422 F C 2.633 178.286 175.800 -0.245 0.000 1.104 422 F CA 1.835 59.748 58.000 -0.145 0.000 1.232 422 F CB -0.177 38.781 39.000 -0.071 0.000 0.987 422 F HN 0.006 nan 8.300 nan 0.000 0.475 423 R N -0.168 120.410 120.500 0.129 0.000 2.096 423 R HA -0.136 4.204 4.340 0.000 0.000 0.235 423 R C 2.327 178.550 176.300 -0.129 0.000 1.127 423 R CA 1.687 57.801 56.100 0.024 0.000 0.968 423 R CB -0.307 30.024 30.300 0.052 0.000 0.861 423 R HN 0.332 nan 8.270 nan 0.000 0.440 424 R N 0.328 120.748 120.500 -0.134 0.000 2.073 424 R HA -0.025 4.315 4.340 0.000 0.000 0.229 424 R C 2.383 178.522 176.300 -0.268 0.000 1.120 424 R CA 0.989 56.999 56.100 -0.150 0.000 0.967 424 R CB -0.317 29.928 30.300 -0.092 0.000 0.862 424 R HN 0.172 nan 8.270 nan 0.000 0.436 425 L N 0.030 121.002 121.223 -0.419 0.000 2.046 425 L HA -0.190 4.150 4.340 0.000 0.000 0.208 425 L C 2.613 178.934 176.870 -0.915 0.000 1.077 425 L CA 1.244 55.702 54.840 -0.637 0.000 0.747 425 L CB -0.435 41.155 42.059 -0.781 0.000 0.896 425 L HN 0.219 nan 8.230 nan 0.000 0.432 426 S N -0.624 114.391 115.700 -1.142 0.000 2.402 426 S HA -0.212 4.258 4.470 0.000 0.000 0.229 426 S C 1.651 176.084 174.600 -0.278 0.000 1.021 426 S CA 1.504 59.240 58.200 -0.775 0.000 0.974 426 S CB -0.170 62.719 63.200 -0.519 0.000 0.800 426 S HN 0.420 nan 8.310 nan 0.000 0.484 427 D N 0.529 120.788 120.400 -0.234 0.000 2.117 427 D HA -0.078 4.562 4.640 0.000 0.000 0.198 427 D C 2.235 178.476 176.300 -0.098 0.000 0.982 427 D CA 1.061 54.992 54.000 -0.114 0.000 0.828 427 D CB -0.146 40.603 40.800 -0.084 0.000 0.967 427 D HN 0.297 nan 8.370 nan 0.000 0.464 428 Q N 0.128 119.839 119.800 -0.148 0.000 2.020 428 Q HA -0.163 4.177 4.340 0.000 0.000 0.202 428 Q C 2.320 178.240 176.000 -0.133 0.000 0.982 428 Q CA 1.123 56.839 55.803 -0.144 0.000 0.838 428 Q CB -0.591 28.012 28.738 -0.226 0.000 0.899 428 Q HN 0.188 nan 8.270 nan 0.000 0.423 429 R N 1.236 121.661 120.500 -0.124 0.000 2.133 429 R HA -0.147 4.193 4.340 0.000 0.000 0.247 429 R C 2.165 178.481 176.300 0.026 0.000 1.151 429 R CA 2.262 58.358 56.100 -0.006 0.000 0.971 429 R CB -0.474 29.932 30.300 0.177 0.000 0.866 429 R HN 0.362 nan 8.270 nan 0.000 0.447 430 S N -0.569 115.143 115.700 0.020 0.000 2.371 430 S HA 0.027 4.497 4.470 0.000 0.000 0.221 430 S C 1.793 176.403 174.600 0.018 0.000 1.036 430 S CA 0.684 58.905 58.200 0.035 0.000 0.965 430 S CB -0.163 63.066 63.200 0.047 0.000 0.845 430 S HN 0.305 nan 8.310 nan 0.000 0.475 431 K N 1.222 121.629 120.400 0.012 0.000 2.025 431 K HA 0.100 4.420 4.320 0.000 0.000 0.207 431 K C 0.472 177.102 176.600 0.049 0.000 1.049 431 K CA 0.825 57.129 56.287 0.028 0.000 0.933 431 K CB -0.046 32.471 32.500 0.029 0.000 0.714 431 K HN 0.362 nan 8.250 nan 0.000 0.438 432 E N 1.076 121.309 120.200 0.055 0.000 2.338 432 E HA 0.042 4.392 4.350 0.000 0.000 0.272 432 E C 0.631 177.305 176.600 0.124 0.000 1.029 432 E CA 0.146 56.623 56.400 0.128 0.000 0.872 432 E CB 1.212 31.018 29.700 0.177 0.000 1.015 432 E HN 0.153 nan 8.360 nan 0.000 0.417 433 R N 1.156 121.769 120.500 0.187 0.000 2.119 433 R HA -0.027 4.313 4.340 0.000 0.000 0.222 433 R C 2.094 178.546 176.300 0.254 0.000 1.088 433 R CA 0.672 56.889 56.100 0.194 0.000 0.984 433 R CB 0.076 30.546 30.300 0.284 0.000 0.884 433 R HN 0.324 nan 8.270 nan 0.000 0.447 434 S N 1.118 117.024 115.700 0.344 0.000 2.399 434 S HA -0.022 4.448 4.470 0.000 0.000 0.231 434 S C 1.731 176.491 174.600 0.268 0.000 1.022 434 S CA 0.937 59.374 58.200 0.395 0.000 0.983 434 S CB 0.009 63.512 63.200 0.506 0.000 0.803 434 S HN 0.233 nan 8.310 nan 0.000 0.480 435 L N 0.455 121.765 121.223 0.146 0.000 2.509 435 L HA 0.183 4.523 4.340 0.000 0.000 0.222 435 L C 1.686 178.583 176.870 0.045 0.000 1.123 435 L CA 0.279 55.153 54.840 0.057 0.000 0.856 435 L CB -0.254 41.759 42.059 -0.076 0.000 0.985 435 L HN 0.254 nan 8.230 nan 0.000 0.456 436 L N -1.382 119.826 121.223 -0.024 0.000 2.209 436 L HA 0.007 4.347 4.340 0.000 0.000 0.207 436 L C 0.761 177.431 176.870 -0.333 0.000 1.094 436 L CA 0.429 55.162 54.840 -0.178 0.000 0.790 436 L CB -0.127 41.734 42.059 -0.330 0.000 0.932 436 L HN 0.280 nan 8.230 nan 0.000 0.447 437 H N -1.843 117.121 119.070 -0.178 0.000 2.570 437 H HA 0.400 4.956 4.556 0.000 0.000 0.342 437 H C 0.626 175.962 175.328 0.014 0.000 1.245 437 H CA -0.226 55.636 56.048 -0.311 0.000 1.318 437 H CB 0.867 29.893 29.762 -1.228 0.000 1.694 437 H HN -0.091 nan 8.280 nan 0.000 0.592 438 G N 0.033 108.966 108.800 0.222 0.000 4.125 438 G HA2 0.031 3.991 3.960 0.000 0.000 0.301 438 G HA3 0.031 3.991 3.960 0.000 0.000 0.301 438 G C -0.601 174.436 174.900 0.227 0.000 1.273 438 G CA -0.183 45.061 45.100 0.239 0.000 1.095 438 G HN 0.492 nan 8.290 nan 0.000 0.582 439 D N 0.951 121.506 120.400 0.260 0.000 2.359 439 D HA 0.452 5.092 4.640 0.000 0.000 0.230 439 D C -1.150 175.268 176.300 0.197 0.000 1.118 439 D CA -0.462 53.663 54.000 0.207 0.000 0.844 439 D CB 0.845 41.740 40.800 0.158 0.000 1.059 439 D HN 0.101 nan 8.370 nan 0.000 0.493 440 F N 4.641 124.461 119.950 -0.217 0.000 2.588 440 F HA 0.392 4.919 4.527 -0.000 0.000 0.314 440 F C -1.683 173.807 175.800 -0.518 0.000 1.134 440 F CA -0.570 57.298 58.000 -0.220 0.000 0.961 440 F CB 1.463 40.400 39.000 -0.105 0.000 1.239 440 F HN 0.258 nan 8.300 nan 0.000 0.448 441 H N 4.286 122.912 119.070 -0.740 0.000 2.856 441 H HA 0.704 5.260 4.556 -0.000 0.000 0.355 441 H C -1.115 173.721 175.328 -0.820 0.000 1.079 441 H CA -0.823 54.827 56.048 -0.663 0.000 1.240 441 H CB 1.763 31.333 29.762 -0.320 0.000 1.701 441 H HN 0.869 nan 8.280 nan 0.000 0.527 442 A N 3.222 125.762 122.820 -0.467 0.000 2.324 442 A HA 0.622 4.942 4.320 0.000 0.000 0.330 442 A C -0.721 176.800 177.584 -0.104 0.000 1.165 442 A CA -0.511 51.430 52.037 -0.160 0.000 0.813 442 A CB 0.541 19.651 19.000 0.183 0.000 1.197 442 A HN 0.447 nan 8.150 nan 0.000 0.484 443 F N 0.601 120.602 119.950 0.085 0.000 2.375 443 F HA 0.364 4.891 4.527 0.000 0.000 0.313 443 F C 1.237 177.100 175.800 0.104 0.000 1.176 443 F CA 0.383 58.426 58.000 0.072 0.000 1.142 443 F CB 1.434 40.463 39.000 0.049 0.000 1.275 443 F HN 0.397 nan 8.300 nan 0.000 0.544 444 S N 1.262 117.141 115.700 0.298 0.000 2.468 444 S HA 0.591 5.061 4.470 0.000 0.000 0.190 444 S C 0.197 174.899 174.600 0.168 0.000 1.445 444 S CA -0.668 57.648 58.200 0.194 0.000 1.084 444 S CB 0.153 63.428 63.200 0.126 0.000 1.175 444 S HN 0.697 nan 8.310 nan 0.000 0.484 445 A N 2.172 125.092 122.820 0.167 0.000 3.337 445 A HA 0.875 5.195 4.320 0.000 0.000 0.173 445 A C 0.972 178.600 177.584 0.073 0.000 1.986 445 A CA -0.201 51.890 52.037 0.090 0.000 0.954 445 A CB -0.808 18.225 19.000 0.055 0.000 1.899 445 A HN 0.644 nan 8.150 nan 0.000 0.732 446 G N -1.667 107.165 108.800 0.054 0.000 2.634 446 G HA2 0.430 4.390 3.960 0.000 0.000 0.255 446 G HA3 0.430 4.390 3.960 0.000 0.000 0.255 446 G C -1.910 173.030 174.900 0.066 0.000 1.205 446 G CA -0.556 44.573 45.100 0.049 0.000 0.884 446 G HN 0.355 nan 8.290 nan 0.000 0.549 447 P HA 0.036 nan 4.420 nan 0.000 0.226 447 P C 1.614 178.952 177.300 0.063 0.000 1.153 447 P CA 1.157 64.288 63.100 0.051 0.000 0.777 447 P CB 0.325 32.047 31.700 0.036 0.000 0.794 448 G N -1.014 107.836 108.800 0.083 0.000 2.595 448 G HA2 0.079 4.039 3.960 0.000 0.000 0.213 448 G HA3 0.079 4.039 3.960 0.000 0.000 0.213 448 G C 0.532 175.561 174.900 0.215 0.000 1.141 448 G CA -0.021 45.156 45.100 0.127 0.000 0.806 448 G HN 0.180 nan 8.290 nan 0.000 0.530 449 L N -0.286 121.051 121.223 0.190 0.000 2.456 449 L HA 0.520 4.860 4.340 0.000 0.000 0.257 449 L C -0.686 176.411 176.870 0.379 0.000 1.162 449 L CA -0.617 54.374 54.840 0.252 0.000 0.808 449 L CB 1.195 43.342 42.059 0.145 0.000 1.136 449 L HN 0.139 nan 8.230 nan 0.000 0.466 450 F N 1.088 121.175 119.950 0.229 0.000 2.941 450 F HA 0.369 4.896 4.527 0.000 0.000 0.359 450 F C -0.681 175.268 175.800 0.248 0.000 1.231 450 F CA -0.416 57.741 58.000 0.262 0.000 1.089 450 F CB 1.288 40.486 39.000 0.330 0.000 1.407 450 F HN 0.398 nan 8.300 nan 0.000 0.538 451 S N 4.721 120.524 115.700 0.172 0.000 2.568 451 S HA 0.788 5.258 4.470 0.000 0.000 0.302 451 S C -1.507 173.219 174.600 0.209 0.000 1.082 451 S CA -0.592 57.609 58.200 0.002 0.000 1.009 451 S CB 1.915 65.123 63.200 0.013 0.000 1.069 451 S HN 0.672 nan 8.310 nan 0.000 0.500 452 Y N -0.855 119.509 120.300 0.107 0.000 2.641 452 Y HA 0.685 5.235 4.550 -0.000 0.000 0.333 452 Y C -1.653 174.306 175.900 0.098 0.000 1.174 452 Y CA -1.460 56.633 58.100 -0.013 0.000 1.057 452 Y CB 0.549 38.842 38.460 -0.279 0.000 1.322 452 Y HN 0.334 nan 8.280 nan 0.000 0.457 453 I N 2.854 123.535 120.570 0.184 0.000 2.460 453 I HA 0.548 4.718 4.170 0.000 0.000 0.298 453 I C -0.537 175.759 176.117 0.299 0.000 0.989 453 I CA -1.119 60.322 61.300 0.236 0.000 1.173 453 I CB 1.743 39.833 38.000 0.149 0.000 1.338 453 I HN 0.681 nan 8.210 nan 0.000 0.456 454 R N 4.602 125.320 120.500 0.364 0.000 2.532 454 R HA 0.545 4.885 4.340 0.000 0.000 0.297 454 R C -0.940 175.653 176.300 0.489 0.000 0.984 454 R CA -0.727 55.638 56.100 0.441 0.000 0.884 454 R CB 2.104 32.658 30.300 0.423 0.000 1.182 454 R HN 0.907 nan 8.270 nan 0.000 0.442 455 H N -1.385 117.871 119.070 0.310 0.000 3.037 455 H HA 0.588 5.144 4.556 -0.000 0.000 0.355 455 H C -1.596 173.999 175.328 0.446 0.000 1.263 455 H CA -0.947 55.288 56.048 0.312 0.000 1.129 455 H CB 2.667 32.577 29.762 0.248 0.000 1.861 455 H HN 0.601 nan 8.280 nan 0.000 0.546 456 W N 4.311 125.650 121.300 0.065 0.000 3.326 456 W HA 0.221 4.881 4.660 0.000 0.000 0.333 456 W C -1.199 175.300 176.519 -0.034 0.000 1.108 456 W CA -0.177 57.140 57.345 -0.047 0.000 1.245 456 W CB 1.383 30.866 29.460 0.038 0.000 1.331 456 W HN 1.007 nan 8.180 nan 0.000 0.464 457 D N 2.195 122.186 120.400 -0.682 0.000 3.452 457 D HA -0.315 4.325 4.640 0.000 0.000 0.164 457 D C 0.493 176.587 176.300 -0.342 0.000 1.074 457 D CA 1.367 55.047 54.000 -0.533 0.000 1.069 457 D CB -0.507 39.968 40.800 -0.542 0.000 0.527 457 D HN 0.665 nan 8.370 nan 0.000 0.558 458 Q N 1.156 120.720 119.800 -0.395 0.000 2.225 458 Q HA 0.216 4.556 4.340 0.000 0.000 0.259 458 Q C -0.103 175.800 176.000 -0.163 0.000 0.872 458 Q CA -0.276 55.176 55.803 -0.585 0.000 1.042 458 Q CB 0.267 28.558 28.738 -0.745 0.000 1.142 458 Q HN 0.240 nan 8.270 nan 0.000 0.463 459 N N 1.274 119.972 118.700 -0.003 0.000 2.364 459 N HA 0.068 4.808 4.740 0.000 0.000 0.264 459 N C -0.069 175.500 175.510 0.098 0.000 1.263 459 N CA -0.219 52.887 53.050 0.094 0.000 0.959 459 N CB 0.621 39.227 38.487 0.198 0.000 1.204 459 N HN 0.154 nan 8.380 nan 0.000 0.550 460 E N 0.306 120.534 120.200 0.046 0.000 2.384 460 E HA 0.067 4.417 4.350 0.000 0.000 0.266 460 E C -0.632 175.805 176.600 -0.272 0.000 1.012 460 E CA 0.058 56.377 56.400 -0.135 0.000 0.901 460 E CB 0.500 30.073 29.700 -0.211 0.000 0.967 460 E HN 0.219 nan 8.360 nan 0.000 0.435 461 R N 2.764 122.956 120.500 -0.513 0.000 2.536 461 R HA 0.494 4.834 4.340 0.000 0.000 0.279 461 R C -0.891 174.740 176.300 -1.115 0.000 1.001 461 R CA -0.350 55.388 56.100 -0.603 0.000 1.027 461 R CB 0.915 30.850 30.300 -0.609 0.000 1.096 461 R HN 0.420 nan 8.270 nan 0.000 0.502 462 F N 1.612 121.362 119.950 -0.333 0.000 2.551 462 F HA 0.456 4.983 4.527 0.000 0.000 0.316 462 F C -0.815 174.961 175.800 -0.040 0.000 1.089 462 F CA -1.083 56.798 58.000 -0.199 0.000 0.915 462 F CB 1.721 40.699 39.000 -0.036 0.000 1.186 462 F HN 0.167 nan 8.300 nan 0.000 0.456 463 L N 3.747 125.108 121.223 0.229 0.000 2.362 463 L HA 0.845 5.185 4.340 0.000 0.000 0.275 463 L C -1.487 175.400 176.870 0.028 0.000 0.998 463 L CA -0.687 54.280 54.840 0.211 0.000 0.820 463 L CB 1.722 43.997 42.059 0.360 0.000 1.270 463 L HN 0.376 nan 8.230 nan 0.000 0.415 464 V N 5.137 124.923 119.914 -0.213 0.000 2.628 464 V HA 0.746 4.866 4.120 0.000 0.000 0.306 464 V C -0.738 175.123 176.094 -0.387 0.000 1.045 464 V CA -0.661 61.388 62.300 -0.418 0.000 0.905 464 V CB 2.035 33.276 31.823 -0.970 0.000 0.997 464 V HN 0.552 nan 8.190 nan 0.000 0.436 465 V N 5.543 125.307 119.914 -0.251 0.000 2.567 465 V HA 0.493 4.613 4.120 0.000 0.000 0.298 465 V C -0.761 175.266 176.094 -0.112 0.000 1.047 465 V CA -0.383 61.818 62.300 -0.164 0.000 0.880 465 V CB 1.689 33.439 31.823 -0.122 0.000 1.009 465 V HN 0.662 nan 8.190 nan 0.000 0.429 466 L N 4.126 125.323 121.223 -0.043 0.000 2.343 466 L HA 0.579 4.919 4.340 0.000 0.000 0.278 466 L C -0.273 176.597 176.870 -0.000 0.000 0.996 466 L CA -0.438 54.365 54.840 -0.063 0.000 0.831 466 L CB 1.838 43.888 42.059 -0.016 0.000 1.232 466 L HN 0.542 nan 8.230 nan 0.000 0.413 467 N N 2.329 120.973 118.700 -0.093 0.000 2.414 467 N HA 0.258 4.998 4.740 0.000 0.000 0.256 467 N C 0.031 175.479 175.510 -0.104 0.000 1.029 467 N CA -0.108 52.929 53.050 -0.023 0.000 0.948 467 N CB 0.808 39.270 38.487 -0.043 0.000 1.102 467 N HN 0.364 nan 8.380 nan 0.000 0.496 468 F N 0.800 120.778 119.950 0.046 0.000 2.714 468 F HA 0.350 4.877 4.527 -0.000 0.000 0.294 468 F C 1.822 177.650 175.800 0.047 0.000 1.120 468 F CA -0.042 58.008 58.000 0.085 0.000 1.398 468 F CB 0.090 39.142 39.000 0.087 0.000 1.120 468 F HN 0.449 nan 8.300 nan 0.000 0.589 469 G N -0.590 108.275 108.800 0.108 0.000 2.557 469 G HA2 0.178 4.138 3.960 0.000 0.000 0.292 469 G HA3 0.178 4.138 3.960 0.000 0.000 0.292 469 G C -0.499 174.256 174.900 -0.242 0.000 1.237 469 G CA -0.361 44.739 45.100 0.000 0.000 0.978 469 G HN 0.002 nan 8.290 nan 0.000 0.498 470 D N -0.787 119.515 120.400 -0.162 0.000 2.395 470 D HA 0.287 4.927 4.640 0.000 0.000 0.226 470 D C 0.135 176.363 176.300 -0.120 0.000 1.146 470 D CA 0.223 54.098 54.000 -0.208 0.000 0.830 470 D CB 0.701 41.494 40.800 -0.012 0.000 0.958 470 D HN 0.084 nan 8.370 nan 0.000 0.501 471 V N -0.262 119.587 119.914 -0.109 0.000 2.876 471 V HA 0.656 4.776 4.120 0.000 0.000 0.312 471 V C 0.879 176.939 176.094 -0.056 0.000 1.085 471 V CA -1.434 60.833 62.300 -0.057 0.000 0.945 471 V CB 2.084 33.891 31.823 -0.027 0.000 1.017 471 V HN 0.110 nan 8.190 nan 0.000 0.428 472 G N 2.443 111.221 108.800 -0.037 0.000 2.491 472 G HA2 0.534 4.494 3.960 0.000 0.000 0.242 472 G HA3 0.534 4.494 3.960 0.000 0.000 0.242 472 G C -0.867 174.020 174.900 -0.023 0.000 1.266 472 G CA -0.032 45.050 45.100 -0.031 0.000 0.844 472 G HN 0.546 nan 8.290 nan 0.000 0.571 473 L N 0.304 121.513 121.223 -0.022 0.000 2.376 473 L HA 0.453 4.793 4.340 0.000 0.000 0.258 473 L C -0.060 176.798 176.870 -0.021 0.000 1.013 473 L CA -0.877 53.954 54.840 -0.016 0.000 0.822 473 L CB 2.571 44.625 42.059 -0.009 0.000 1.388 473 L HN 0.441 nan 8.230 nan 0.000 0.413 474 S N 1.212 116.899 115.700 -0.020 0.000 2.438 474 S HA 0.511 4.981 4.470 0.000 0.000 0.316 474 S C 0.027 174.605 174.600 -0.036 0.000 1.084 474 S CA -0.565 57.617 58.200 -0.029 0.000 1.107 474 S CB 1.429 64.613 63.200 -0.026 0.000 0.981 474 S HN 0.586 nan 8.310 nan 0.000 0.466 475 A N 3.276 126.065 122.820 -0.052 0.000 2.545 475 A HA 0.469 4.790 4.320 0.000 0.000 0.297 475 A C 1.009 178.537 177.584 -0.094 0.000 1.340 475 A CA -0.437 51.556 52.037 -0.074 0.000 1.016 475 A CB -0.484 18.457 19.000 -0.098 0.000 1.122 475 A HN 0.886 nan 8.150 nan 0.000 0.537 476 G N 3.114 111.869 108.800 -0.074 0.000 3.717 476 G HA2 0.444 4.404 3.960 0.000 0.000 0.258 476 G HA3 0.444 4.404 3.960 0.000 0.000 0.258 476 G C 0.203 175.043 174.900 -0.100 0.000 1.088 476 G CA -0.512 44.544 45.100 -0.074 0.000 1.737 476 G HN 0.941 nan 8.290 nan 0.000 0.648 477 L N -0.966 120.133 121.223 -0.207 0.000 2.485 477 L HA 0.520 4.860 4.340 0.000 0.000 0.279 477 L C 0.135 176.870 176.870 -0.225 0.000 1.124 477 L CA -0.539 54.076 54.840 -0.375 0.000 0.888 477 L CB 0.457 41.975 42.059 -0.901 0.000 1.217 477 L HN 0.141 nan 8.230 nan 0.000 0.464 478 Q N 2.562 122.374 119.800 0.020 0.000 2.257 478 Q HA 0.537 4.877 4.340 0.000 0.000 0.262 478 Q C 1.183 177.341 176.000 0.264 0.000 0.997 478 Q CA 0.009 55.872 55.803 0.101 0.000 0.873 478 Q CB 2.130 30.908 28.738 0.066 0.000 1.312 478 Q HN 0.842 nan 8.270 nan 0.000 0.450 479 A N 1.989 124.909 122.820 0.167 0.000 1.969 479 A HA -0.228 4.092 4.320 0.000 0.000 0.223 479 A C 1.098 178.727 177.584 0.074 0.000 1.218 479 A CA 1.800 53.908 52.037 0.118 0.000 0.667 479 A CB -1.101 17.922 19.000 0.038 0.000 0.826 479 A HN 0.832 nan 8.150 nan 0.000 0.472 480 S N 0.450 116.199 115.700 0.081 0.000 4.588 480 S HA -0.154 4.316 4.470 0.000 0.000 0.498 480 S C 0.119 174.722 174.600 0.004 0.000 0.720 480 S CA 1.039 59.275 58.200 0.060 0.000 1.257 480 S CB -1.077 62.187 63.200 0.107 0.000 1.968 480 S HN 0.831 nan 8.310 nan 0.000 0.362 481 D N 2.275 122.658 120.400 -0.027 0.000 3.278 481 D HA -0.176 4.464 4.640 0.000 0.000 0.233 481 D C -0.532 175.681 176.300 -0.145 0.000 1.149 481 D CA 1.472 55.436 54.000 -0.059 0.000 0.957 481 D CB -0.991 39.796 40.800 -0.022 0.000 0.913 481 D HN 0.614 nan 8.370 nan 0.000 0.409 482 L N 1.327 122.442 121.223 -0.179 0.000 2.491 482 L HA 0.619 4.959 4.340 0.000 0.000 0.254 482 L C -1.807 174.896 176.870 -0.278 0.000 1.048 482 L CA -1.670 52.990 54.840 -0.299 0.000 0.855 482 L CB 1.544 43.407 42.059 -0.327 0.000 1.466 482 L HN 0.020 nan 8.230 nan 0.000 0.409 483 P HA 0.281 nan 4.420 nan 0.000 0.289 483 P C 0.109 177.312 177.300 -0.162 0.000 1.299 483 P CA -0.526 62.420 63.100 -0.257 0.000 0.766 483 P CB 0.508 32.032 31.700 -0.294 0.000 1.226 484 A N -0.472 122.293 122.820 -0.092 0.000 2.070 484 A HA -0.088 4.232 4.320 0.000 0.000 0.220 484 A C 1.926 179.473 177.584 -0.062 0.000 1.159 484 A CA 1.619 53.619 52.037 -0.062 0.000 0.656 484 A CB -1.223 17.759 19.000 -0.031 0.000 0.800 484 A HN 0.458 nan 8.150 nan 0.000 0.453 485 S N -0.634 115.027 115.700 -0.065 0.000 2.767 485 S HA 0.472 4.942 4.470 0.000 0.000 0.253 485 S C 1.278 175.792 174.600 -0.143 0.000 1.082 485 S CA 0.421 58.584 58.200 -0.062 0.000 1.148 485 S CB -0.580 62.644 63.200 0.041 0.000 0.808 485 S HN 0.630 nan 8.310 nan 0.000 0.466 486 A N 1.315 124.056 122.820 -0.130 0.000 1.887 486 A HA 0.180 4.500 4.320 0.000 0.000 0.212 486 A C 1.320 178.867 177.584 -0.060 0.000 1.198 486 A CA 0.681 52.648 52.037 -0.116 0.000 0.628 486 A CB -1.085 17.844 19.000 -0.118 0.000 0.847 486 A HN 1.148 nan 8.150 nan 0.000 0.449 487 S N 0.966 116.624 115.700 -0.070 0.000 3.502 487 S HA -0.043 4.427 4.470 0.000 0.000 0.324 487 S C 0.016 174.563 174.600 -0.090 0.000 0.612 487 S CA 0.113 58.268 58.200 -0.076 0.000 1.910 487 S CB -1.626 61.519 63.200 -0.091 0.000 1.166 487 S HN 0.341 nan 8.310 nan 0.000 0.543 488 L N 3.027 124.193 121.223 -0.096 0.000 2.417 488 L HA 0.419 4.759 4.340 0.000 0.000 0.268 488 L C -1.549 175.172 176.870 -0.248 0.000 1.158 488 L CA -2.185 52.531 54.840 -0.207 0.000 0.819 488 L CB -0.244 41.717 42.059 -0.162 0.000 1.112 488 L HN 0.329 nan 8.230 nan 0.000 0.458 489 P HA 0.108 nan 4.420 nan 0.000 0.273 489 P C 0.127 177.293 177.300 -0.224 0.000 1.250 489 P CA -0.400 62.536 63.100 -0.272 0.000 0.793 489 P CB 0.677 32.188 31.700 -0.315 0.000 1.011 490 A N 0.571 123.299 122.820 -0.154 0.000 2.014 490 A HA -0.057 4.263 4.320 0.000 0.000 0.218 490 A C 0.594 178.102 177.584 -0.128 0.000 1.163 490 A CA 1.418 53.381 52.037 -0.122 0.000 0.652 490 A CB -0.436 18.512 19.000 -0.086 0.000 0.808 490 A HN 0.534 nan 8.150 nan 0.000 0.449 491 K N -1.290 119.029 120.400 -0.136 0.000 2.464 491 K HA 0.687 5.007 4.320 0.000 0.000 0.253 491 K C -1.202 175.320 176.600 -0.131 0.000 0.933 491 K CA -0.269 55.951 56.287 -0.111 0.000 0.801 491 K CB 2.398 34.858 32.500 -0.066 0.000 1.271 491 K HN 0.202 nan 8.250 nan 0.000 0.430 492 A N 1.865 124.631 122.820 -0.089 0.000 2.475 492 A HA 0.448 4.768 4.320 0.000 0.000 0.301 492 A C -1.430 176.182 177.584 0.047 0.000 1.059 492 A CA -0.896 51.139 52.037 -0.003 0.000 0.710 492 A CB 1.014 20.023 19.000 0.015 0.000 1.288 492 A HN 0.655 nan 8.150 nan 0.000 0.408 493 D N 1.324 121.773 120.400 0.082 0.000 2.351 493 D HA 0.306 4.946 4.640 0.000 0.000 0.251 493 D C -0.239 176.102 176.300 0.069 0.000 1.137 493 D CA 0.208 54.243 54.000 0.058 0.000 0.879 493 D CB 1.380 42.211 40.800 0.052 0.000 1.181 493 D HN 0.405 nan 8.370 nan 0.000 0.448 494 L N 3.322 124.574 121.223 0.047 0.000 2.433 494 L HA 0.007 4.347 4.340 0.000 0.000 0.275 494 L C 0.838 177.740 176.870 0.053 0.000 1.128 494 L CA -0.081 54.787 54.840 0.048 0.000 0.875 494 L CB 0.634 42.709 42.059 0.026 0.000 1.171 494 L HN 0.352 nan 8.230 nan 0.000 0.463 495 L N 6.054 127.321 121.223 0.074 0.000 2.162 495 L HA 0.366 4.706 4.340 0.000 0.000 0.205 495 L C -0.038 176.860 176.870 0.046 0.000 1.086 495 L CA 1.094 55.980 54.840 0.077 0.000 0.778 495 L CB 0.143 42.282 42.059 0.132 0.000 0.928 495 L HN 0.654 nan 8.230 nan 0.000 0.446 496 L N -1.500 119.745 121.223 0.036 0.000 2.643 496 L HA 0.426 4.766 4.340 0.000 0.000 0.256 496 L C -1.447 175.428 176.870 0.009 0.000 0.931 496 L CA -0.270 54.579 54.840 0.016 0.000 0.895 496 L CB 1.602 43.662 42.059 0.002 0.000 1.430 496 L HN -0.141 nan 8.230 nan 0.000 0.419 497 S N 0.335 116.038 115.700 0.004 0.000 2.542 497 S HA 0.486 4.956 4.470 0.000 0.000 0.293 497 S C 0.915 175.517 174.600 0.002 0.000 1.089 497 S CA 0.168 58.368 58.200 -0.000 0.000 0.961 497 S CB 1.787 64.988 63.200 0.001 0.000 1.062 497 S HN 0.885 nan 8.310 nan 0.000 0.483 498 T N 1.454 116.008 114.554 0.001 0.000 2.881 498 T HA 0.030 4.380 4.350 0.000 0.000 0.270 498 T C 0.481 175.190 174.700 0.015 0.000 1.068 498 T CA 0.984 63.090 62.100 0.010 0.000 1.131 498 T CB -0.350 68.524 68.868 0.010 0.000 0.871 498 T HN 0.656 nan 8.240 nan 0.000 0.479 499 Q N 2.241 122.048 119.800 0.012 0.000 2.325 499 Q HA 0.426 4.766 4.340 0.000 0.000 0.262 499 Q C -2.753 173.254 176.000 0.011 0.000 0.968 499 Q CA -2.486 53.326 55.803 0.015 0.000 0.877 499 Q CB 1.580 30.329 28.738 0.018 0.000 1.253 499 Q HN 0.248 nan 8.270 nan 0.000 0.448 500 P HA 0.051 nan 4.420 nan 0.000 0.267 500 P C 0.499 177.805 177.300 0.009 0.000 1.200 500 P CA 0.512 63.618 63.100 0.010 0.000 0.772 500 P CB 0.772 32.479 31.700 0.011 0.000 0.855 501 G N 1.202 110.006 108.800 0.008 0.000 3.514 501 G HA2 -0.124 3.836 3.960 0.000 0.000 0.197 501 G HA3 -0.124 3.836 3.960 0.000 0.000 0.197 501 G C 0.186 175.089 174.900 0.005 0.000 1.098 501 G CA -0.555 44.549 45.100 0.006 0.000 0.884 501 G HN 0.457 nan 8.290 nan 0.000 0.433 502 R N 1.364 121.866 120.500 0.004 0.000 2.774 502 R HA 0.313 4.653 4.340 0.000 0.000 0.269 502 R C -0.225 176.078 176.300 0.005 0.000 1.068 502 R CA -0.062 56.039 56.100 0.003 0.000 1.180 502 R CB 0.196 30.497 30.300 0.003 0.000 1.077 502 R HN 0.419 nan 8.270 nan 0.000 0.513 503 E N 2.228 122.431 120.200 0.004 0.000 1.941 503 E HA 0.043 4.393 4.350 0.000 0.000 0.275 503 E C -0.529 176.077 176.600 0.009 0.000 1.113 503 E CA 0.003 56.406 56.400 0.006 0.000 0.878 503 E CB 0.466 30.169 29.700 0.004 0.000 1.070 503 E HN 0.282 nan 8.360 nan 0.000 0.399 504 E N 0.743 120.950 120.200 0.012 0.000 2.316 504 E HA 0.237 4.587 4.350 0.000 0.000 0.275 504 E C 0.922 177.533 176.600 0.018 0.000 1.029 504 E CA 0.133 56.543 56.400 0.016 0.000 0.871 504 E CB 1.135 30.845 29.700 0.016 0.000 1.022 504 E HN 0.778 nan 8.360 nan 0.000 0.418 505 G N 2.709 111.523 108.800 0.024 0.000 2.313 505 G HA2 -0.289 3.671 3.960 0.000 0.000 0.215 505 G HA3 -0.289 3.671 3.960 0.000 0.000 0.215 505 G C 0.352 175.265 174.900 0.022 0.000 1.023 505 G CA 0.061 45.175 45.100 0.024 0.000 0.626 505 G HN 0.657 nan 8.290 nan 0.000 0.503 506 S N 1.423 117.133 115.700 0.016 0.000 2.616 506 S HA 0.741 5.211 4.470 0.000 0.000 0.277 506 S C -2.679 171.928 174.600 0.010 0.000 1.234 506 S CA -1.299 56.908 58.200 0.011 0.000 1.028 506 S CB 2.257 65.461 63.200 0.007 0.000 0.988 506 S HN 0.232 nan 8.310 nan 0.000 0.522 507 P HA 0.376 nan 4.420 nan 0.000 0.276 507 P C -0.751 176.543 177.300 -0.010 0.000 1.230 507 P CA -0.379 62.721 63.100 -0.001 0.000 0.776 507 P CB 0.427 32.123 31.700 -0.007 0.000 0.888 508 L N 1.310 122.523 121.223 -0.016 0.000 2.421 508 L HA 0.559 4.899 4.340 0.000 0.000 0.267 508 L C 0.610 177.452 176.870 -0.046 0.000 1.036 508 L CA -0.863 53.961 54.840 -0.027 0.000 0.829 508 L CB 0.916 42.960 42.059 -0.024 0.000 1.437 508 L HN 0.305 nan 8.230 nan 0.000 0.488 509 E N -0.068 120.099 120.200 -0.054 0.000 2.191 509 E HA 0.284 4.634 4.350 0.000 0.000 0.263 509 E C 0.207 176.757 176.600 -0.083 0.000 0.881 509 E CA -0.358 56.001 56.400 -0.069 0.000 0.757 509 E CB 1.544 31.210 29.700 -0.057 0.000 1.147 509 E HN 0.511 nan 8.360 nan 0.000 0.414 510 L N 3.129 124.286 121.223 -0.110 0.000 2.291 510 L HA -0.102 4.238 4.340 0.000 0.000 0.214 510 L C 1.428 178.223 176.870 -0.124 0.000 1.120 510 L CA 0.773 55.533 54.840 -0.133 0.000 0.799 510 L CB -0.186 41.768 42.059 -0.175 0.000 0.925 510 L HN 0.542 nan 8.230 nan 0.000 0.446 511 E N 0.436 120.577 120.200 -0.099 0.000 2.021 511 E HA -0.032 4.318 4.350 0.000 0.000 0.189 511 E C 0.660 177.218 176.600 -0.070 0.000 0.980 511 E CA 0.778 57.129 56.400 -0.082 0.000 0.803 511 E CB 0.053 29.714 29.700 -0.066 0.000 0.766 511 E HN 0.272 nan 8.360 nan 0.000 0.449 512 R N 0.746 121.210 120.500 -0.061 0.000 2.296 512 R HA 0.355 4.695 4.340 0.000 0.000 0.327 512 R C -1.098 175.171 176.300 -0.052 0.000 1.137 512 R CA -0.268 55.803 56.100 -0.050 0.000 1.020 512 R CB 0.364 30.640 30.300 -0.040 0.000 1.110 512 R HN -0.030 nan 8.270 nan 0.000 0.499 513 L N 3.799 124.990 121.223 -0.054 0.000 2.518 513 L HA 0.259 4.599 4.340 0.000 0.000 0.262 513 L C -0.858 175.985 176.870 -0.046 0.000 0.982 513 L CA -0.715 54.092 54.840 -0.055 0.000 0.873 513 L CB 1.255 43.269 42.059 -0.075 0.000 1.198 513 L HN 0.410 nan 8.230 nan 0.000 0.427 514 K N 4.436 124.814 120.400 -0.036 0.000 2.249 514 K HA 0.625 4.945 4.320 0.000 0.000 0.280 514 K C -1.114 175.468 176.600 -0.030 0.000 1.033 514 K CA -0.423 55.846 56.287 -0.030 0.000 0.946 514 K CB 1.216 33.703 32.500 -0.023 0.000 1.005 514 K HN 0.327 nan 8.250 nan 0.000 0.469 515 L N 3.368 124.573 121.223 -0.029 0.000 2.376 515 L HA 0.315 4.655 4.340 0.000 0.000 0.275 515 L C -0.269 176.583 176.870 -0.030 0.000 0.987 515 L CA -0.595 54.227 54.840 -0.030 0.000 0.828 515 L CB 1.540 43.579 42.059 -0.034 0.000 1.249 515 L HN 0.841 nan 8.230 nan 0.000 0.409 516 E N 3.862 124.048 120.200 -0.024 0.000 2.374 516 E HA 0.298 4.648 4.350 0.000 0.000 0.260 516 E C -2.221 174.354 176.600 -0.041 0.000 1.101 516 E CA -2.128 54.258 56.400 -0.022 0.000 0.907 516 E CB 0.205 29.902 29.700 -0.004 0.000 1.014 516 E HN 0.249 nan 8.360 nan 0.000 0.427 517 P HA -0.073 nan 4.420 nan 0.000 0.260 517 P C -0.688 176.532 177.300 -0.134 0.000 1.172 517 P CA 0.881 63.866 63.100 -0.191 0.000 0.760 517 P CB -0.043 31.556 31.700 -0.168 0.000 0.773 518 H N -1.501 117.560 119.070 -0.015 0.000 3.211 518 H HA -0.211 4.345 4.556 -0.000 0.000 0.240 518 H C 0.451 175.735 175.328 -0.073 0.000 1.148 518 H CA 0.921 56.941 56.048 -0.048 0.000 1.160 518 H CB -1.554 28.199 29.762 -0.015 0.000 1.232 518 H HN 0.492 nan 8.280 nan 0.000 0.321 519 E N 1.008 121.211 120.200 0.005 0.000 2.373 519 E HA 0.443 4.793 4.350 0.000 0.000 0.263 519 E C 0.626 177.195 176.600 -0.053 0.000 1.073 519 E CA 0.108 56.501 56.400 -0.012 0.000 0.894 519 E CB 0.820 30.511 29.700 -0.014 0.000 1.008 519 E HN 0.390 nan 8.360 nan 0.000 0.420 520 G N 3.452 112.225 108.800 -0.046 0.000 2.666 520 G HA2 0.519 4.479 3.960 0.000 0.000 0.303 520 G HA3 0.519 4.479 3.960 0.000 0.000 0.303 520 G C -1.247 173.625 174.900 -0.046 0.000 1.412 520 G CA -0.597 44.464 45.100 -0.065 0.000 0.979 520 G HN 0.425 nan 8.290 nan 0.000 0.507 521 L N 1.912 123.101 121.223 -0.057 0.000 2.346 521 L HA 0.610 4.950 4.340 0.000 0.000 0.276 521 L C -0.853 175.994 176.870 -0.038 0.000 1.006 521 L CA -1.120 53.697 54.840 -0.038 0.000 0.817 521 L CB 2.278 44.314 42.059 -0.037 0.000 1.272 521 L HN 0.373 nan 8.230 nan 0.000 0.421 522 L N 4.331 125.554 121.223 0.001 0.000 2.345 522 L HA 0.581 4.921 4.340 0.000 0.000 0.274 522 L C -1.345 175.588 176.870 0.104 0.000 0.999 522 L CA -0.137 54.726 54.840 0.039 0.000 0.849 522 L CB 1.287 43.363 42.059 0.029 0.000 1.220 522 L HN 0.367 nan 8.230 nan 0.000 0.422 523 L N 5.019 126.328 121.223 0.143 0.000 2.329 523 L HA 0.694 5.034 4.340 0.000 0.000 0.279 523 L C -0.076 176.907 176.870 0.188 0.000 1.014 523 L CA -0.372 54.572 54.840 0.173 0.000 0.814 523 L CB 1.805 43.966 42.059 0.170 0.000 1.257 523 L HN 0.654 nan 8.230 nan 0.000 0.424 524 R N 2.138 122.697 120.500 0.097 0.000 2.668 524 R HA 0.930 5.270 4.340 0.000 0.000 0.279 524 R C -1.301 174.981 176.300 -0.031 0.000 0.976 524 R CA -0.637 55.322 56.100 -0.235 0.000 0.978 524 R CB 1.361 31.532 30.300 -0.215 0.000 1.133 524 R HN 0.445 nan 8.270 nan 0.000 0.484 525 F N -2.948 116.860 119.950 -0.237 0.000 2.703 525 F HA 0.577 5.104 4.527 -0.000 0.000 0.308 525 F C -3.048 172.687 175.800 -0.108 0.000 1.126 525 F CA -3.106 54.817 58.000 -0.129 0.000 0.959 525 F CB 0.775 39.726 39.000 -0.081 0.000 1.297 525 F HN 0.367 nan 8.300 nan 0.000 0.441 526 P HA 0.103 nan 4.420 nan 0.000 0.274 526 P C 0.218 177.626 177.300 0.180 0.000 1.246 526 P CA -0.047 63.114 63.100 0.102 0.000 0.795 526 P CB 0.645 32.404 31.700 0.099 0.000 1.006 527 Y N 2.550 122.881 120.300 0.051 0.000 2.070 527 Y HA -0.120 4.429 4.550 -0.000 0.000 0.280 527 Y C 1.006 176.955 175.900 0.082 0.000 1.148 527 Y CA 1.623 59.766 58.100 0.072 0.000 1.125 527 Y CB -0.925 37.563 38.460 0.047 0.000 0.975 527 Y HN 0.378 nan 8.280 nan 0.000 0.492 528 A N 1.880 124.671 122.820 -0.050 0.000 2.476 528 A HA 0.499 4.819 4.320 0.000 0.000 0.275 528 A C 0.751 178.295 177.584 -0.066 0.000 1.133 528 A CA -0.004 51.945 52.037 -0.146 0.000 0.797 528 A CB -1.102 17.905 19.000 0.012 0.000 1.081 528 A HN 0.781 nan 8.150 nan 0.000 0.510 529 A N 0.000 122.754 122.820 -0.110 0.000 2.254 529 A HA 0.000 4.320 4.320 0.000 0.000 0.244 529 A CA 0.000 51.994 52.037 -0.072 0.000 0.836 529 A CB 0.000 18.933 19.000 -0.112 0.000 0.831 529 A HN 0.000 nan 8.150 nan 0.000 0.486