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 1ksd_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAYDYKQVLR DSLLFYEAQR SGRLPADQKV TWRKDSALND QGDQGQDLTG DATA SEQUENCE GYFDAGDFVK FGFPMAYTAT VLAWGLIDFE AGYSSAGALD DGRKAVKWAT DATA SEQUENCE DYFIKAHTSQ NEFYGQVGQG DADHAFWGRP EDMTMARPAY KIDTSRPGSD DATA SEQUENCE LAGETAAALA AASIVFRNVD GTYSNNLLTH ARQLFDFANN YRGKYSDSIT DATA SEQUENCE DARNFYASAD YRDELVWAAA WLYRATNDNT YLNTAESLYD EFGLQNWGGG DATA SEQUENCE LNWDSKVSGV QVLLAKLTNK QAYKDTVQSY VNYLINNQQK TPKGLLYIDM DATA SEQUENCE WGTLRHAANA AFIMLEAAEL GLSASSYRQF AQTQIDYALG DGGRSFVCGF DATA SEQUENCE GSNPPTRPHH RSSScPPAPA TcDWNTFNSP DPNYHVLSGA LVGGPDQNDN DATA SEQUENCE YVDDRSDYVH NEVATDYNAG FQSALAALVA LGY 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.067 176.300 -0.388 0.000 1.140 1 M CA 0.000 55.098 55.300 -0.337 0.000 0.988 1 M CB 0.000 32.487 32.600 -0.188 0.000 1.302 2 A N 0.826 123.398 122.820 -0.414 0.000 1.597 2 A HA -0.066 4.254 4.320 -0.001 0.000 0.206 2 A C -1.465 175.909 177.584 -0.350 0.000 1.281 2 A CA 0.406 52.259 52.037 -0.307 0.000 0.662 2 A CB -2.037 16.865 19.000 -0.164 0.000 1.153 2 A HN 0.921 nan 8.150 nan 0.000 0.200 3 Y N 1.034 121.195 120.300 -0.231 0.000 2.309 3 Y HA 0.407 4.956 4.550 -0.001 0.000 0.327 3 Y C 1.043 176.647 175.900 -0.492 0.000 1.172 3 Y CA -0.075 57.848 58.100 -0.294 0.000 1.280 3 Y CB 0.674 38.928 38.460 -0.343 0.000 1.234 3 Y HN 0.669 nan 8.280 nan 0.000 0.512 4 D N 2.201 122.583 120.400 -0.031 0.000 2.517 4 D HA 0.022 4.661 4.640 -0.001 0.000 0.220 4 D C 0.211 176.456 176.300 -0.091 0.000 1.158 4 D CA 0.052 54.022 54.000 -0.049 0.000 0.992 4 D CB -0.245 40.604 40.800 0.082 0.000 1.058 4 D HN 0.445 nan 8.370 nan 0.000 0.516 5 Y N 1.935 122.263 120.300 0.046 0.000 2.256 5 Y HA -0.166 4.383 4.550 -0.001 0.000 0.288 5 Y C 2.256 178.095 175.900 -0.102 0.000 1.155 5 Y CA 0.939 59.000 58.100 -0.065 0.000 1.203 5 Y CB -0.180 38.244 38.460 -0.059 0.000 0.980 5 Y HN 0.288 nan 8.280 nan 0.000 0.530 6 K N -0.425 120.024 120.400 0.081 0.000 2.057 6 K HA -0.246 4.073 4.320 -0.001 0.000 0.207 6 K C 2.137 178.740 176.600 0.005 0.000 1.049 6 K CA 1.592 57.894 56.287 0.023 0.000 0.931 6 K CB -0.184 32.339 32.500 0.039 0.000 0.714 6 K HN 0.171 nan 8.250 nan 0.000 0.440 7 Q N 1.017 120.832 119.800 0.025 0.000 2.172 7 Q HA -0.069 4.271 4.340 -0.001 0.000 0.200 7 Q C 1.831 177.829 176.000 -0.003 0.000 0.964 7 Q CA 1.149 56.978 55.803 0.043 0.000 0.855 7 Q CB 0.015 28.817 28.738 0.106 0.000 0.918 7 Q HN 0.066 nan 8.270 nan 0.000 0.444 8 V N 0.632 120.483 119.914 -0.105 0.000 2.427 8 V HA -0.201 3.918 4.120 -0.001 0.000 0.248 8 V C 2.177 178.186 176.094 -0.141 0.000 1.051 8 V CA 1.432 63.592 62.300 -0.234 0.000 1.048 8 V CB -0.714 30.856 31.823 -0.422 0.000 0.666 8 V HN 0.375 nan 8.190 nan 0.000 0.456 9 L N 0.542 121.681 121.223 -0.140 0.000 2.046 9 L HA -0.142 4.198 4.340 -0.001 0.000 0.208 9 L C 2.566 179.413 176.870 -0.038 0.000 1.077 9 L CA 1.913 56.661 54.840 -0.154 0.000 0.747 9 L CB -0.699 41.224 42.059 -0.227 0.000 0.896 9 L HN 0.182 nan 8.230 nan 0.000 0.432 10 R N -0.458 120.040 120.500 -0.003 0.000 2.096 10 R HA -0.144 4.196 4.340 -0.001 0.000 0.235 10 R C 1.907 178.259 176.300 0.086 0.000 1.127 10 R CA 1.436 57.569 56.100 0.055 0.000 0.968 10 R CB -0.515 29.820 30.300 0.058 0.000 0.861 10 R HN 0.421 nan 8.270 nan 0.000 0.440 11 D N -0.101 120.345 120.400 0.078 0.000 2.117 11 D HA -0.138 4.502 4.640 -0.001 0.000 0.197 11 D C 1.861 178.255 176.300 0.157 0.000 0.987 11 D CA 1.252 55.322 54.000 0.116 0.000 0.829 11 D CB -0.365 40.497 40.800 0.103 0.000 0.961 11 D HN 0.012 nan 8.370 nan 0.000 0.460 12 S N -0.386 115.407 115.700 0.155 0.000 2.383 12 S HA -0.087 4.383 4.470 -0.001 0.000 0.229 12 S C 2.041 176.830 174.600 0.316 0.000 1.030 12 S CA 0.627 58.975 58.200 0.247 0.000 1.002 12 S CB -0.255 63.087 63.200 0.237 0.000 0.829 12 S HN 0.183 nan 8.310 nan 0.000 0.467 13 L N 0.851 122.234 121.223 0.267 0.000 2.141 13 L HA -0.034 4.306 4.340 -0.001 0.000 0.209 13 L C 2.257 179.245 176.870 0.197 0.000 1.094 13 L CA 0.826 55.836 54.840 0.284 0.000 0.763 13 L CB -0.380 41.803 42.059 0.207 0.000 0.908 13 L HN 0.349 nan 8.230 nan 0.000 0.437 14 L N -1.546 119.771 121.223 0.156 0.000 2.141 14 L HA -0.216 4.124 4.340 -0.001 0.000 0.209 14 L C 2.502 179.432 176.870 0.099 0.000 1.094 14 L CA 0.902 55.804 54.840 0.103 0.000 0.763 14 L CB -0.485 41.648 42.059 0.123 0.000 0.908 14 L HN 0.228 nan 8.230 nan 0.000 0.437 15 F N 0.172 120.115 119.950 -0.013 0.000 2.134 15 F HA -0.247 4.279 4.527 -0.001 0.000 0.299 15 F C 2.271 177.968 175.800 -0.171 0.000 1.097 15 F CA 1.409 59.343 58.000 -0.111 0.000 1.264 15 F CB -0.532 38.343 39.000 -0.208 0.000 1.001 15 F HN -0.049 nan 8.300 nan 0.000 0.479 16 Y N 1.127 121.276 120.300 -0.252 0.000 2.274 16 Y HA -0.144 4.406 4.550 -0.001 0.000 0.290 16 Y C 2.479 178.232 175.900 -0.244 0.000 1.145 16 Y CA 1.738 59.605 58.100 -0.389 0.000 1.203 16 Y CB -0.841 37.491 38.460 -0.214 0.000 0.984 16 Y HN 0.204 nan 8.280 nan 0.000 0.533 17 E N -0.473 119.676 120.200 -0.086 0.000 2.153 17 E HA -0.189 4.161 4.350 -0.001 0.000 0.194 17 E C 2.293 178.706 176.600 -0.312 0.000 0.988 17 E CA 0.919 57.179 56.400 -0.234 0.000 0.811 17 E CB -0.237 29.340 29.700 -0.205 0.000 0.746 17 E HN 0.447 nan 8.360 nan 0.000 0.466 18 A N 0.894 123.546 122.820 -0.281 0.000 2.119 18 A HA -0.123 4.197 4.320 -0.001 0.000 0.217 18 A C 1.865 179.390 177.584 -0.099 0.000 1.153 18 A CA 0.849 52.723 52.037 -0.272 0.000 0.692 18 A CB 0.065 19.010 19.000 -0.092 0.000 0.799 18 A HN 0.063 nan 8.150 nan 0.000 0.458 19 Q N -0.198 119.504 119.800 -0.163 0.000 2.319 19 Q HA 0.119 4.459 4.340 -0.001 0.000 0.202 19 Q C 0.003 176.058 176.000 0.092 0.000 0.896 19 Q CA 0.080 55.906 55.803 0.037 0.000 0.942 19 Q CB 0.170 28.801 28.738 -0.178 0.000 1.083 19 Q HN 0.609 nan 8.270 nan 0.000 0.510 20 R N 0.732 121.128 120.500 -0.173 0.000 2.489 20 R HA 0.173 4.513 4.340 -0.001 0.000 0.287 20 R C 0.243 176.285 176.300 -0.430 0.000 1.053 20 R CA 0.204 55.997 56.100 -0.511 0.000 1.036 20 R CB 0.551 30.232 30.300 -1.032 0.000 0.966 20 R HN -0.097 nan 8.270 nan 0.000 0.432 21 S N 1.271 116.652 115.700 -0.532 0.000 2.638 21 S HA 0.757 5.227 4.470 -0.001 0.000 0.298 21 S C 0.228 174.710 174.600 -0.196 0.000 1.111 21 S CA 0.415 58.141 58.200 -0.791 0.000 1.027 21 S CB 1.458 63.849 63.200 -1.348 0.000 1.064 21 S HN 0.897 nan 8.310 nan 0.000 0.525 22 G N 2.839 111.549 108.800 -0.151 0.000 2.545 22 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.216 22 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.216 22 G C -0.574 174.327 174.900 0.002 0.000 1.314 22 G CA -0.299 44.758 45.100 -0.073 0.000 0.906 22 G HN 0.903 nan 8.290 nan 0.000 0.563 23 R N 0.291 120.788 120.500 -0.004 0.000 2.248 23 R HA 0.495 4.834 4.340 -0.001 0.000 0.328 23 R C 0.446 176.825 176.300 0.131 0.000 1.067 23 R CA -0.468 55.642 56.100 0.016 0.000 0.924 23 R CB -0.186 30.092 30.300 -0.036 0.000 1.013 23 R HN 0.458 nan 8.270 nan 0.000 0.454 24 L N 6.891 128.166 121.223 0.086 0.000 2.371 24 L HA 0.409 4.748 4.340 -0.001 0.000 0.272 24 L C -1.520 175.388 176.870 0.065 0.000 1.124 24 L CA -2.048 52.842 54.840 0.084 0.000 0.816 24 L CB 0.886 42.907 42.059 -0.064 0.000 1.129 24 L HN 0.553 nan 8.230 nan 0.000 0.448 25 P HA 0.075 nan 4.420 nan 0.000 0.274 25 P C 0.075 177.375 177.300 0.001 0.000 1.237 25 P CA -0.413 62.717 63.100 0.050 0.000 0.793 25 P CB 1.146 32.897 31.700 0.085 0.000 0.977 26 A N 1.843 124.662 122.820 -0.001 0.000 2.070 26 A HA -0.163 4.156 4.320 -0.001 0.000 0.220 26 A C 1.322 178.899 177.584 -0.011 0.000 1.159 26 A CA 1.765 53.797 52.037 -0.009 0.000 0.656 26 A CB -1.054 17.941 19.000 -0.007 0.000 0.800 26 A HN 0.669 nan 8.150 nan 0.000 0.453 27 D N -0.800 119.594 120.400 -0.009 0.000 2.336 27 D HA 0.089 4.729 4.640 -0.001 0.000 0.228 27 D C 0.605 176.888 176.300 -0.028 0.000 1.120 27 D CA -0.224 53.770 54.000 -0.010 0.000 0.839 27 D CB -0.734 40.067 40.800 0.002 0.000 0.932 27 D HN 0.406 nan 8.370 nan 0.000 0.509 28 Q N 1.217 120.986 119.800 -0.051 0.000 2.283 28 Q HA -0.007 4.332 4.340 -0.001 0.000 0.301 28 Q C 0.656 176.605 176.000 -0.085 0.000 1.063 28 Q CA 0.590 56.334 55.803 -0.099 0.000 0.952 28 Q CB 0.935 29.591 28.738 -0.136 0.000 1.166 28 Q HN 0.068 nan 8.270 nan 0.000 0.381 29 K N 2.354 122.699 120.400 -0.092 0.000 2.242 29 K HA 0.122 4.441 4.320 -0.001 0.000 0.200 29 K C -0.163 176.383 176.600 -0.091 0.000 1.050 29 K CA 0.370 56.623 56.287 -0.057 0.000 0.981 29 K CB 0.639 33.126 32.500 -0.022 0.000 0.795 29 K HN 0.367 nan 8.250 nan 0.000 0.477 30 V N 3.581 123.380 119.914 -0.193 0.000 2.223 30 V HA -0.015 4.104 4.120 -0.001 0.000 0.249 30 V C 1.171 176.986 176.094 -0.464 0.000 1.233 30 V CA 0.335 62.416 62.300 -0.365 0.000 1.131 30 V CB -0.101 31.414 31.823 -0.514 0.000 1.298 30 V HN 0.400 nan 8.190 nan 0.000 0.498 31 T N -0.361 114.046 114.554 -0.245 0.000 3.118 31 T HA -0.115 4.234 4.350 -0.001 0.000 0.260 31 T C 1.359 176.004 174.700 -0.091 0.000 1.139 31 T CA 0.375 62.388 62.100 -0.145 0.000 1.085 31 T CB -0.176 68.680 68.868 -0.020 0.000 0.934 31 T HN 0.822 nan 8.240 nan 0.000 0.518 32 W N 0.805 122.045 121.300 -0.100 0.000 2.678 32 W HA 0.319 4.979 4.660 -0.001 0.000 0.256 32 W C 0.265 176.687 176.519 -0.161 0.000 1.280 32 W CA -0.858 56.377 57.345 -0.183 0.000 1.345 32 W CB -0.518 28.609 29.460 -0.554 0.000 1.118 32 W HN -0.034 nan 8.180 nan 0.000 0.629 33 R N 2.475 122.712 120.500 -0.438 0.000 2.441 33 R HA 0.270 4.609 4.340 -0.001 0.000 0.284 33 R C 0.297 176.506 176.300 -0.151 0.000 1.070 33 R CA -0.033 55.877 56.100 -0.318 0.000 1.047 33 R CB 1.037 31.011 30.300 -0.544 0.000 1.016 33 R HN -0.125 nan 8.270 nan 0.000 0.477 34 K N 0.966 121.325 120.400 -0.068 0.000 2.352 34 K HA 0.314 4.633 4.320 -0.001 0.000 0.240 34 K C -0.622 175.951 176.600 -0.046 0.000 1.017 34 K CA -1.062 55.196 56.287 -0.048 0.000 0.851 34 K CB 1.031 33.521 32.500 -0.017 0.000 1.261 34 K HN 0.350 nan 8.250 nan 0.000 0.451 35 D N 1.236 121.613 120.400 -0.039 0.000 2.488 35 D HA 0.141 4.781 4.640 -0.001 0.000 0.238 35 D C 0.215 176.491 176.300 -0.039 0.000 1.138 35 D CA 0.760 54.740 54.000 -0.033 0.000 0.873 35 D CB 0.422 41.203 40.800 -0.032 0.000 1.183 35 D HN 0.538 nan 8.370 nan 0.000 0.458 36 S N -0.460 115.221 115.700 -0.030 0.000 2.615 36 S HA 0.626 5.095 4.470 -0.001 0.000 0.269 36 S C -0.244 174.344 174.600 -0.019 0.000 1.161 36 S CA -0.446 57.732 58.200 -0.037 0.000 0.817 36 S CB 1.428 64.607 63.200 -0.035 0.000 1.131 36 S HN 0.963 nan 8.310 nan 0.000 0.467 37 A N 0.205 123.005 122.820 -0.035 0.000 2.745 37 A HA -0.134 4.186 4.320 -0.001 0.000 0.296 37 A C 0.744 178.288 177.584 -0.065 0.000 1.500 37 A CA 1.112 53.131 52.037 -0.031 0.000 0.766 37 A CB -2.501 16.536 19.000 0.062 0.000 1.030 37 A HN 1.129 nan 8.150 nan 0.000 0.489 38 L N -1.754 119.425 121.223 -0.073 0.000 2.610 38 L HA -0.009 4.330 4.340 -0.001 0.000 0.232 38 L C 1.715 178.536 176.870 -0.082 0.000 1.149 38 L CA 1.286 56.079 54.840 -0.078 0.000 0.872 38 L CB -0.322 41.695 42.059 -0.070 0.000 0.992 38 L HN 0.664 nan 8.230 nan 0.000 0.447 39 N N -1.221 117.428 118.700 -0.083 0.000 2.205 39 N HA 0.024 4.764 4.740 -0.001 0.000 0.201 39 N C -0.497 174.956 175.510 -0.095 0.000 1.128 39 N CA -0.392 52.607 53.050 -0.086 0.000 0.867 39 N CB 0.519 38.956 38.487 -0.083 0.000 0.996 39 N HN 0.135 nan 8.380 nan 0.000 0.503 40 D N 2.651 122.995 120.400 -0.095 0.000 2.472 40 D HA -0.020 4.620 4.640 -0.001 0.000 0.248 40 D C 0.227 176.450 176.300 -0.127 0.000 1.174 40 D CA 0.924 54.863 54.000 -0.101 0.000 0.883 40 D CB 0.421 41.172 40.800 -0.081 0.000 1.149 40 D HN 0.344 nan 8.370 nan 0.000 0.488 41 Q N 0.683 120.386 119.800 -0.161 0.000 2.575 41 Q HA 0.655 4.995 4.340 -0.001 0.000 0.290 41 Q C -0.318 175.500 176.000 -0.303 0.000 0.963 41 Q CA -1.336 54.339 55.803 -0.214 0.000 0.783 41 Q CB 0.975 29.616 28.738 -0.161 0.000 1.467 41 Q HN 0.336 nan 8.270 nan 0.000 0.402 42 G N 0.358 108.893 108.800 -0.441 0.000 2.525 42 G HA2 0.167 4.126 3.960 -0.001 0.000 0.287 42 G HA3 0.167 4.126 3.960 -0.001 0.000 0.287 42 G C -0.039 174.746 174.900 -0.191 0.000 1.350 42 G CA -0.189 44.543 45.100 -0.613 0.000 1.039 42 G HN 0.712 nan 8.290 nan 0.000 0.513 43 D N -0.550 119.869 120.400 0.031 0.000 2.158 43 D HA -0.087 4.552 4.640 -0.001 0.000 0.197 43 D C 2.196 178.502 176.300 0.011 0.000 0.995 43 D CA 1.260 55.306 54.000 0.076 0.000 0.846 43 D CB 0.112 41.006 40.800 0.157 0.000 0.941 43 D HN 0.283 nan 8.370 nan 0.000 0.456 44 Q N -1.264 118.530 119.800 -0.010 0.000 2.280 44 Q HA 0.391 4.731 4.340 -0.001 0.000 0.201 44 Q C 1.021 176.986 176.000 -0.059 0.000 0.890 44 Q CA 0.456 56.242 55.803 -0.027 0.000 0.947 44 Q CB 0.885 29.612 28.738 -0.018 0.000 1.081 44 Q HN 0.258 nan 8.270 nan 0.000 0.502 45 G N 0.063 108.809 108.800 -0.089 0.000 2.141 45 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.242 45 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.242 45 G C -0.249 174.575 174.900 -0.126 0.000 0.982 45 G CA -0.294 44.745 45.100 -0.101 0.000 0.662 45 G HN 0.320 nan 8.290 nan 0.000 0.527 46 Q N 0.723 120.427 119.800 -0.160 0.000 2.330 46 Q HA 0.405 4.745 4.340 -0.001 0.000 0.279 46 Q C 0.310 176.190 176.000 -0.200 0.000 1.024 46 Q CA 0.273 55.971 55.803 -0.175 0.000 0.900 46 Q CB 0.697 29.310 28.738 -0.209 0.000 1.221 46 Q HN 0.383 nan 8.270 nan 0.000 0.396 47 D N 2.113 122.417 120.400 -0.160 0.000 2.401 47 D HA -0.002 4.637 4.640 -0.001 0.000 0.254 47 D C -0.524 175.673 176.300 -0.171 0.000 1.192 47 D CA 0.433 54.342 54.000 -0.151 0.000 0.885 47 D CB 0.481 41.205 40.800 -0.127 0.000 1.147 47 D HN 0.524 nan 8.370 nan 0.000 0.478 48 L N 3.350 124.483 121.223 -0.151 0.000 3.267 48 L HA 0.146 4.485 4.340 -0.001 0.000 0.289 48 L C 0.650 177.539 176.870 0.031 0.000 1.260 48 L CA -0.391 54.398 54.840 -0.087 0.000 1.034 48 L CB 0.235 42.211 42.059 -0.138 0.000 1.413 48 L HN 0.434 nan 8.230 nan 0.000 0.594 49 T N -1.860 112.657 114.554 -0.062 0.000 2.898 49 T HA 0.628 4.977 4.350 -0.001 0.000 0.301 49 T C 0.680 175.291 174.700 -0.147 0.000 1.049 49 T CA 0.439 62.475 62.100 -0.107 0.000 1.095 49 T CB 1.981 70.771 68.868 -0.130 0.000 0.976 49 T HN 0.438 nan 8.240 nan 0.000 0.539 50 G N 0.378 109.024 108.800 -0.257 0.000 2.447 50 G HA2 0.450 4.410 3.960 -0.001 0.000 0.220 50 G HA3 0.450 4.410 3.960 -0.001 0.000 0.220 50 G C 0.216 174.771 174.900 -0.574 0.000 1.261 50 G CA 0.023 44.876 45.100 -0.412 0.000 1.000 50 G HN 2.636 nan 8.290 nan 0.000 0.515 51 G N -2.095 106.303 108.800 -0.670 0.000 2.741 51 G HA2 0.276 4.235 3.960 -0.001 0.000 0.222 51 G HA3 0.276 4.235 3.960 -0.001 0.000 0.222 51 G C -0.501 174.137 174.900 -0.435 0.000 1.364 51 G CA 0.428 45.095 45.100 -0.723 0.000 0.866 51 G HN 1.857 nan 8.290 nan 0.000 0.555 52 Y N -0.982 119.194 120.300 -0.207 0.000 2.409 52 Y HA 0.671 5.221 4.550 -0.001 0.000 0.339 52 Y C 0.647 176.459 175.900 -0.147 0.000 1.033 52 Y CA -0.755 57.254 58.100 -0.152 0.000 1.094 52 Y CB 1.350 39.822 38.460 0.021 0.000 1.210 52 Y HN 0.472 nan 8.280 nan 0.000 0.456 53 F N 1.422 121.483 119.950 0.185 0.000 2.471 53 F HA 0.045 4.571 4.527 -0.001 0.000 0.353 53 F C 1.467 177.354 175.800 0.145 0.000 1.113 53 F CA -0.558 57.523 58.000 0.135 0.000 1.262 53 F CB 0.580 39.693 39.000 0.187 0.000 1.146 53 F HN 0.611 nan 8.300 nan 0.000 0.578 54 D N 1.256 121.863 120.400 0.345 0.000 2.078 54 D HA -0.017 4.623 4.640 -0.001 0.000 0.193 54 D C 1.043 177.486 176.300 0.239 0.000 0.990 54 D CA 1.977 56.153 54.000 0.293 0.000 0.827 54 D CB 0.284 41.346 40.800 0.437 0.000 0.975 54 D HN 0.550 nan 8.370 nan 0.000 0.451 55 A N -1.403 121.542 122.820 0.208 0.000 2.841 55 A HA 0.585 4.904 4.320 -0.001 0.000 0.188 55 A C 1.534 179.190 177.584 0.119 0.000 1.149 55 A CA 0.191 52.333 52.037 0.175 0.000 1.384 55 A CB -0.310 18.767 19.000 0.127 0.000 1.874 55 A HN 0.159 nan 8.150 nan 0.000 0.643 56 G N 0.533 109.348 108.800 0.025 0.000 2.985 56 G HA2 0.330 4.289 3.960 -0.001 0.000 0.209 56 G HA3 0.330 4.289 3.960 -0.001 0.000 0.209 56 G C 0.100 174.577 174.900 -0.704 0.000 1.165 56 G CA 1.014 45.972 45.100 -0.236 0.000 0.776 56 G HN 0.727 nan 8.290 nan 0.000 0.541 57 D N -0.771 119.295 120.400 -0.556 0.000 2.595 57 D HA 0.381 5.020 4.640 -0.001 0.000 0.268 57 D C -0.144 175.576 176.300 -0.967 0.000 1.181 57 D CA -1.370 52.180 54.000 -0.750 0.000 1.085 57 D CB 0.322 41.023 40.800 -0.164 0.000 1.186 57 D HN 0.050 nan 8.370 nan 0.000 0.621 58 F N -0.736 119.063 119.950 -0.251 0.000 2.764 58 F HA 0.253 4.780 4.527 -0.001 0.000 0.310 58 F C 0.089 175.868 175.800 -0.035 0.000 1.124 58 F CA -0.768 56.948 58.000 -0.473 0.000 1.252 58 F CB 1.100 39.642 39.000 -0.762 0.000 1.010 58 F HN -0.132 nan 8.300 nan 0.000 0.518 59 V N 1.196 121.132 119.914 0.035 0.000 2.732 59 V HA 0.134 4.254 4.120 -0.001 0.000 0.297 59 V C 0.128 176.158 176.094 -0.106 0.000 1.060 59 V CA -0.657 61.526 62.300 -0.195 0.000 1.038 59 V CB 1.487 32.881 31.823 -0.716 0.000 1.003 59 V HN 0.150 nan 8.190 nan 0.000 0.481 60 K N 4.080 124.388 120.400 -0.153 0.000 2.300 60 K HA 0.412 4.731 4.320 -0.001 0.000 0.264 60 K C -1.198 175.383 176.600 -0.032 0.000 1.083 60 K CA -0.082 56.178 56.287 -0.045 0.000 0.958 60 K CB 0.383 32.821 32.500 -0.104 0.000 1.318 60 K HN 0.420 nan 8.250 nan 0.000 0.448 61 F N 1.327 121.361 119.950 0.139 0.000 2.405 61 F HA 0.178 4.705 4.527 -0.001 0.000 0.358 61 F C 1.604 177.490 175.800 0.144 0.000 1.151 61 F CA -0.487 57.587 58.000 0.124 0.000 1.161 61 F CB 0.970 39.943 39.000 -0.044 0.000 1.245 61 F HN 0.678 nan 8.300 nan 0.000 0.545 62 G N 3.366 112.422 108.800 0.427 0.000 2.450 62 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.220 62 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.220 62 G C 1.628 176.728 174.900 0.333 0.000 1.130 62 G CA 0.547 45.902 45.100 0.425 0.000 0.760 62 G HN 0.518 nan 8.290 nan 0.000 0.557 63 F N 2.839 122.778 119.950 -0.019 0.000 2.060 63 F HA 0.046 4.572 4.527 -0.001 0.000 0.295 63 F C 0.087 175.912 175.800 0.041 0.000 1.120 63 F CA 0.685 58.621 58.000 -0.105 0.000 1.205 63 F CB -1.029 37.814 39.000 -0.262 0.000 0.986 63 F HN 0.116 nan 8.300 nan 0.000 0.470 64 P HA -0.171 nan 4.420 nan 0.000 0.221 64 P C 2.190 179.570 177.300 0.133 0.000 1.150 64 P CA 1.437 64.415 63.100 -0.202 0.000 0.800 64 P CB -0.303 30.929 31.700 -0.780 0.000 0.787 65 M N -0.253 119.471 119.600 0.208 0.000 2.132 65 M HA -0.088 4.391 4.480 -0.001 0.000 0.263 65 M C 2.081 178.692 176.300 0.518 0.000 1.065 65 M CA 1.868 57.404 55.300 0.394 0.000 1.122 65 M CB -0.406 32.500 32.600 0.510 0.000 1.365 65 M HN -0.091 nan 8.290 nan 0.000 0.411 66 A N -0.533 122.521 122.820 0.391 0.000 1.898 66 A HA -0.243 4.076 4.320 -0.001 0.000 0.216 66 A C 1.927 179.646 177.584 0.225 0.000 1.181 66 A CA 1.582 53.725 52.037 0.177 0.000 0.620 66 A CB -1.294 17.633 19.000 -0.122 0.000 0.819 66 A HN 0.715 nan 8.150 nan 0.000 0.442 67 Y N 1.438 121.813 120.300 0.126 0.000 2.165 67 Y HA -0.223 4.327 4.550 -0.001 0.000 0.286 67 Y C 2.503 178.525 175.900 0.202 0.000 1.155 67 Y CA 2.401 60.590 58.100 0.150 0.000 1.164 67 Y CB -0.884 37.616 38.460 0.066 0.000 0.978 67 Y HN 0.288 nan 8.280 nan 0.000 0.513 68 T N 0.956 115.571 114.554 0.102 0.000 2.684 68 T HA -0.240 4.110 4.350 -0.001 0.000 0.267 68 T C 2.132 176.808 174.700 -0.040 0.000 1.036 68 T CA 1.782 63.891 62.100 0.015 0.000 1.148 68 T CB -0.879 68.095 68.868 0.177 0.000 0.863 68 T HN 0.533 nan 8.240 nan 0.000 0.436 69 A N 1.275 124.161 122.820 0.110 0.000 1.902 69 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 69 A C 2.568 180.147 177.584 -0.009 0.000 1.181 69 A CA 2.139 54.248 52.037 0.120 0.000 0.623 69 A CB -1.257 17.973 19.000 0.382 0.000 0.818 69 A HN 0.498 nan 8.150 nan 0.000 0.443 70 T N -0.346 114.175 114.554 -0.055 0.000 2.708 70 T HA -0.117 4.232 4.350 -0.001 0.000 0.266 70 T C 1.859 176.511 174.700 -0.080 0.000 1.037 70 T CA 1.642 63.619 62.100 -0.206 0.000 1.146 70 T CB -0.450 68.348 68.868 -0.118 0.000 0.865 70 T HN 0.156 nan 8.240 nan 0.000 0.435 71 V N 1.396 121.292 119.914 -0.030 0.000 2.427 71 V HA -0.057 4.063 4.120 -0.001 0.000 0.248 71 V C 2.472 178.592 176.094 0.042 0.000 1.051 71 V CA 1.251 63.620 62.300 0.114 0.000 1.048 71 V CB -0.671 31.065 31.823 -0.146 0.000 0.666 71 V HN 0.426 nan 8.190 nan 0.000 0.456 72 L N 0.062 121.258 121.223 -0.046 0.000 2.056 72 L HA -0.132 4.208 4.340 -0.001 0.000 0.207 72 L C 2.747 179.615 176.870 -0.003 0.000 1.078 72 L CA 1.554 56.368 54.840 -0.043 0.000 0.749 72 L CB -0.783 41.199 42.059 -0.128 0.000 0.901 72 L HN 0.364 nan 8.230 nan 0.000 0.433 73 A N -0.617 122.188 122.820 -0.026 0.000 1.902 73 A HA -0.263 4.056 4.320 -0.001 0.000 0.217 73 A C 2.027 179.675 177.584 0.106 0.000 1.181 73 A CA 1.351 53.358 52.037 -0.050 0.000 0.623 73 A CB -0.979 17.928 19.000 -0.155 0.000 0.818 73 A HN 0.610 nan 8.150 nan 0.000 0.443 74 W N 0.926 122.210 121.300 -0.026 0.000 2.335 74 W HA -0.133 4.527 4.660 -0.001 0.000 0.311 74 W C 2.240 178.942 176.519 0.305 0.000 1.213 74 W CA 1.630 59.129 57.345 0.258 0.000 1.274 74 W CB -1.011 28.717 29.460 0.448 0.000 1.148 74 W HN 0.255 nan 8.180 nan 0.000 0.498 75 G N 0.290 109.301 108.800 0.351 0.000 2.422 75 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.218 75 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.218 75 G C 1.732 176.860 174.900 0.381 0.000 1.140 75 G CA 0.934 46.258 45.100 0.373 0.000 0.775 75 G HN 0.307 nan 8.290 nan 0.000 0.545 76 L N -0.070 121.263 121.223 0.182 0.000 2.141 76 L HA 0.066 4.406 4.340 -0.001 0.000 0.209 76 L C 2.739 179.622 176.870 0.022 0.000 1.094 76 L CA 0.538 55.359 54.840 -0.032 0.000 0.763 76 L CB -0.145 41.740 42.059 -0.291 0.000 0.908 76 L HN 0.237 nan 8.230 nan 0.000 0.437 77 I N -0.675 119.949 120.570 0.090 0.000 2.277 77 I HA -0.222 3.948 4.170 -0.001 0.000 0.243 77 I C 1.730 177.850 176.117 0.005 0.000 1.094 77 I CA 1.058 62.403 61.300 0.074 0.000 1.393 77 I CB -0.200 37.914 38.000 0.191 0.000 1.078 77 I HN 0.186 nan 8.210 nan 0.000 0.417 78 D N 0.173 120.536 120.400 -0.061 0.000 2.271 78 D HA 0.001 4.641 4.640 -0.001 0.000 0.206 78 D C 0.534 176.357 176.300 -0.795 0.000 0.967 78 D CA 1.116 54.824 54.000 -0.486 0.000 0.867 78 D CB 0.250 40.587 40.800 -0.772 0.000 0.960 78 D HN 0.236 nan 8.370 nan 0.000 0.509 79 F N 0.320 120.350 119.950 0.132 0.000 2.818 79 F HA 0.244 4.770 4.527 -0.001 0.000 0.369 79 F C 1.539 177.445 175.800 0.178 0.000 1.327 79 F CA -0.804 57.268 58.000 0.119 0.000 1.211 79 F CB 0.161 39.221 39.000 0.100 0.000 1.036 79 F HN -0.209 nan 8.300 nan 0.000 0.510 80 E N 1.415 121.744 120.200 0.215 0.000 2.118 80 E HA -0.239 4.111 4.350 -0.001 0.000 0.195 80 E C 2.322 179.052 176.600 0.216 0.000 0.992 80 E CA 1.465 57.983 56.400 0.195 0.000 0.804 80 E CB 0.182 29.920 29.700 0.064 0.000 0.741 80 E HN 0.461 nan 8.360 nan 0.000 0.458 81 A N 0.778 123.698 122.820 0.168 0.000 1.978 81 A HA -0.146 4.173 4.320 -0.001 0.000 0.220 81 A C 2.380 180.048 177.584 0.140 0.000 1.170 81 A CA 1.801 53.919 52.037 0.136 0.000 0.636 81 A CB -1.189 17.881 19.000 0.116 0.000 0.810 81 A HN 0.477 nan 8.150 nan 0.000 0.448 82 G N -1.786 107.113 108.800 0.164 0.000 2.418 82 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.217 82 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.217 82 G C 1.464 176.372 174.900 0.012 0.000 1.158 82 G CA 1.151 46.285 45.100 0.056 0.000 0.771 82 G HN 0.556 nan 8.290 nan 0.000 0.545 83 Y N 1.399 121.733 120.300 0.056 0.000 2.163 83 Y HA -0.079 4.471 4.550 -0.001 0.000 0.288 83 Y C 3.377 179.300 175.900 0.039 0.000 1.136 83 Y CA 1.547 59.671 58.100 0.040 0.000 1.147 83 Y CB -0.184 38.296 38.460 0.033 0.000 0.987 83 Y HN 0.161 nan 8.280 nan 0.000 0.509 84 S N -0.735 115.086 115.700 0.202 0.000 2.368 84 S HA -0.195 4.275 4.470 -0.001 0.000 0.225 84 S C 2.207 176.862 174.600 0.091 0.000 1.030 84 S CA 1.487 59.762 58.200 0.124 0.000 0.999 84 S CB -0.460 62.799 63.200 0.098 0.000 0.844 84 S HN 0.372 nan 8.310 nan 0.000 0.459 85 S N 1.281 117.030 115.700 0.081 0.000 2.419 85 S HA 0.021 4.491 4.470 -0.001 0.000 0.233 85 S C 1.839 176.471 174.600 0.053 0.000 1.016 85 S CA 0.906 59.144 58.200 0.063 0.000 0.974 85 S CB -0.233 63.003 63.200 0.060 0.000 0.786 85 S HN 0.594 nan 8.310 nan 0.000 0.492 86 A N 0.258 123.106 122.820 0.047 0.000 2.275 86 A HA 0.517 4.836 4.320 -0.001 0.000 0.212 86 A C 1.473 179.091 177.584 0.056 0.000 1.201 86 A CA 0.536 52.595 52.037 0.035 0.000 0.843 86 A CB -0.717 18.278 19.000 -0.009 0.000 0.873 86 A HN 0.773 nan 8.150 nan 0.000 0.492 87 G N -1.607 107.236 108.800 0.071 0.000 2.249 87 G HA2 0.004 3.964 3.960 -0.001 0.000 0.273 87 G HA3 0.004 3.964 3.960 -0.001 0.000 0.273 87 G C 0.583 175.538 174.900 0.092 0.000 1.036 87 G CA 0.385 45.529 45.100 0.074 0.000 0.824 87 G HN 1.624 nan 8.290 nan 0.000 0.504 88 A N -1.084 121.815 122.820 0.131 0.000 2.610 88 A HA 0.639 4.958 4.320 -0.001 0.000 0.291 88 A C 1.647 179.384 177.584 0.254 0.000 1.116 88 A CA 0.886 53.031 52.037 0.180 0.000 0.963 88 A CB 0.120 19.230 19.000 0.183 0.000 1.220 88 A HN 1.065 nan 8.150 nan 0.000 0.530 89 L N -0.054 121.276 121.223 0.178 0.000 2.027 89 L HA -0.080 4.259 4.340 -0.001 0.000 0.206 89 L C 1.600 178.478 176.870 0.013 0.000 1.074 89 L CA 2.482 57.376 54.840 0.090 0.000 0.745 89 L CB -0.368 41.727 42.059 0.061 0.000 0.898 89 L HN 0.371 nan 8.230 nan 0.000 0.433 90 D N -0.201 120.226 120.400 0.045 0.000 2.104 90 D HA -0.185 4.454 4.640 -0.001 0.000 0.194 90 D C 1.821 178.152 176.300 0.052 0.000 0.994 90 D CA 1.529 55.554 54.000 0.042 0.000 0.830 90 D CB -0.252 40.579 40.800 0.051 0.000 0.959 90 D HN 0.386 nan 8.370 nan 0.000 0.452 91 D N -0.223 120.222 120.400 0.076 0.000 2.144 91 D HA -0.063 4.577 4.640 -0.001 0.000 0.199 91 D C 2.139 178.490 176.300 0.085 0.000 0.984 91 D CA 1.231 55.285 54.000 0.090 0.000 0.834 91 D CB -0.610 40.255 40.800 0.109 0.000 0.955 91 D HN 0.266 nan 8.370 nan 0.000 0.465 92 G N 0.553 109.387 108.800 0.057 0.000 2.418 92 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.217 92 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.217 92 G C 1.727 176.529 174.900 -0.163 0.000 1.158 92 G CA 0.452 45.486 45.100 -0.109 0.000 0.771 92 G HN 0.230 nan 8.290 nan 0.000 0.545 93 R N 0.293 120.706 120.500 -0.146 0.000 2.081 93 R HA 0.021 4.361 4.340 -0.001 0.000 0.235 93 R C 2.627 179.031 176.300 0.173 0.000 1.131 93 R CA 1.291 57.340 56.100 -0.085 0.000 0.960 93 R CB -0.199 30.040 30.300 -0.102 0.000 0.856 93 R HN 0.282 nan 8.270 nan 0.000 0.436 94 K N 0.246 120.733 120.400 0.145 0.000 2.147 94 K HA -0.077 4.243 4.320 -0.001 0.000 0.205 94 K C 2.116 178.839 176.600 0.206 0.000 1.049 94 K CA 1.259 57.653 56.287 0.179 0.000 0.936 94 K CB -0.088 32.493 32.500 0.134 0.000 0.722 94 K HN 0.155 nan 8.250 nan 0.000 0.446 95 A N 0.943 123.854 122.820 0.151 0.000 1.930 95 A HA -0.107 4.212 4.320 -0.001 0.000 0.217 95 A C 2.337 180.043 177.584 0.203 0.000 1.175 95 A CA 1.276 53.416 52.037 0.172 0.000 0.627 95 A CB -0.491 18.525 19.000 0.028 0.000 0.815 95 A HN 0.061 nan 8.150 nan 0.000 0.443 96 V N 0.055 120.051 119.914 0.137 0.000 2.323 96 V HA -0.221 3.899 4.120 -0.001 0.000 0.244 96 V C 2.503 178.733 176.094 0.226 0.000 1.041 96 V CA 2.274 64.669 62.300 0.158 0.000 1.025 96 V CB -0.595 31.300 31.823 0.120 0.000 0.656 96 V HN 0.673 nan 8.190 nan 0.000 0.451 97 K N -0.939 119.635 120.400 0.290 0.000 2.209 97 K HA -0.235 4.085 4.320 -0.001 0.000 0.204 97 K C 2.112 178.708 176.600 -0.007 0.000 1.048 97 K CA 1.528 57.912 56.287 0.163 0.000 0.940 97 K CB -0.222 32.306 32.500 0.047 0.000 0.729 97 K HN 0.634 nan 8.250 nan 0.000 0.451 98 W N 1.065 122.283 121.300 -0.136 0.000 2.363 98 W HA -0.189 4.470 4.660 -0.001 0.000 0.296 98 W C 1.706 177.964 176.519 -0.435 0.000 1.212 98 W CA 1.859 59.005 57.345 -0.332 0.000 1.260 98 W CB -0.138 29.031 29.460 -0.486 0.000 1.131 98 W HN 0.233 nan 8.180 nan 0.000 0.530 99 A N 0.350 123.082 122.820 -0.148 0.000 1.855 99 A HA -0.182 4.138 4.320 -0.001 0.000 0.213 99 A C 1.967 179.041 177.584 -0.850 0.000 1.195 99 A CA 2.654 54.445 52.037 -0.411 0.000 0.610 99 A CB -1.401 17.560 19.000 -0.065 0.000 0.837 99 A HN 0.303 nan 8.150 nan 0.000 0.444 100 T N -2.060 112.268 114.554 -0.377 0.000 2.833 100 T HA -0.153 4.197 4.350 -0.001 0.000 0.269 100 T C 1.303 175.919 174.700 -0.141 0.000 1.054 100 T CA 1.584 63.585 62.100 -0.165 0.000 1.135 100 T CB -0.489 68.439 68.868 0.099 0.000 0.869 100 T HN 0.308 nan 8.240 nan 0.000 0.466 101 D N 0.273 120.569 120.400 -0.174 0.000 2.144 101 D HA -0.062 4.577 4.640 -0.001 0.000 0.199 101 D C 1.599 177.766 176.300 -0.222 0.000 0.984 101 D CA 0.994 54.880 54.000 -0.190 0.000 0.834 101 D CB -0.438 40.153 40.800 -0.349 0.000 0.955 101 D HN 0.549 nan 8.370 nan 0.000 0.465 102 Y N 0.545 120.581 120.300 -0.439 0.000 2.220 102 Y HA -0.177 4.373 4.550 -0.001 0.000 0.291 102 Y C 1.876 177.713 175.900 -0.106 0.000 1.129 102 Y CA 1.187 59.075 58.100 -0.353 0.000 1.161 102 Y CB -0.475 37.720 38.460 -0.443 0.000 0.997 102 Y HN -0.186 nan 8.280 nan 0.000 0.522 103 F N 0.199 120.090 119.950 -0.099 0.000 2.161 103 F HA -0.213 4.313 4.527 -0.001 0.000 0.300 103 F C 2.351 178.115 175.800 -0.060 0.000 1.089 103 F CA 0.965 58.953 58.000 -0.021 0.000 1.282 103 F CB -1.291 37.784 39.000 0.125 0.000 1.010 103 F HN 0.096 nan 8.300 nan 0.000 0.485 104 I N -0.103 120.449 120.570 -0.029 0.000 2.226 104 I HA -0.302 3.867 4.170 -0.001 0.000 0.245 104 I C 2.315 178.347 176.117 -0.143 0.000 1.100 104 I CA 1.362 62.511 61.300 -0.251 0.000 1.374 104 I CB -0.418 37.392 38.000 -0.316 0.000 1.057 104 I HN 0.100 nan 8.210 nan 0.000 0.413 105 K N 0.852 121.144 120.400 -0.180 0.000 2.057 105 K HA -0.094 4.225 4.320 -0.001 0.000 0.206 105 K C 2.209 178.686 176.600 -0.205 0.000 1.050 105 K CA 1.430 57.602 56.287 -0.192 0.000 0.935 105 K CB -0.245 32.116 32.500 -0.233 0.000 0.715 105 K HN 0.277 nan 8.250 nan 0.000 0.439 106 A N 0.972 123.592 122.820 -0.333 0.000 2.070 106 A HA -0.161 4.158 4.320 -0.001 0.000 0.220 106 A C 0.989 178.553 177.584 -0.033 0.000 1.159 106 A CA 0.846 52.653 52.037 -0.384 0.000 0.656 106 A CB -0.676 17.812 19.000 -0.853 0.000 0.800 106 A HN 0.377 nan 8.150 nan 0.000 0.453 107 H N 1.324 120.468 119.070 0.122 0.000 2.998 107 H HA 0.154 4.710 4.556 -0.001 0.000 0.241 107 H C 1.300 176.730 175.328 0.170 0.000 1.852 107 H CA 0.217 56.460 56.048 0.326 0.000 1.419 107 H CB 0.181 30.165 29.762 0.370 0.000 1.793 107 H HN 0.498 nan 8.280 nan 0.000 0.553 108 T N -0.244 114.398 114.554 0.146 0.000 2.915 108 T HA -0.057 4.293 4.350 -0.001 0.000 0.269 108 T C 0.917 175.574 174.700 -0.071 0.000 1.071 108 T CA 0.346 62.469 62.100 0.037 0.000 1.132 108 T CB 0.277 69.229 68.868 0.140 0.000 0.878 108 T HN 0.278 nan 8.240 nan 0.000 0.479 109 S N -1.151 114.463 115.700 -0.145 0.000 2.607 109 S HA 0.405 4.875 4.470 -0.001 0.000 0.273 109 S C 0.088 174.492 174.600 -0.328 0.000 1.148 109 S CA -0.712 57.362 58.200 -0.211 0.000 0.833 109 S CB 1.840 64.957 63.200 -0.139 0.000 1.130 109 S HN 0.094 nan 8.310 nan 0.000 0.470 110 Q N 1.541 121.187 119.800 -0.257 0.000 2.096 110 Q HA 0.002 4.341 4.340 -0.001 0.000 0.208 110 Q C 0.508 176.490 176.000 -0.031 0.000 0.993 110 Q CA 1.932 57.667 55.803 -0.112 0.000 0.862 110 Q CB -0.079 28.627 28.738 -0.054 0.000 0.915 110 Q HN 0.515 nan 8.270 nan 0.000 0.416 111 N N 0.475 118.995 118.700 -0.300 0.000 2.458 111 N HA 0.109 4.848 4.740 -0.001 0.000 0.274 111 N C -1.042 173.806 175.510 -1.102 0.000 1.242 111 N CA 0.059 52.592 53.050 -0.862 0.000 0.904 111 N CB 0.788 38.877 38.487 -0.662 0.000 1.206 111 N HN 0.268 nan 8.380 nan 0.000 0.510 112 E N 0.531 120.419 120.200 -0.519 0.000 2.275 112 E HA 0.375 4.724 4.350 -0.001 0.000 0.270 112 E C -1.816 174.854 176.600 0.117 0.000 0.882 112 E CA -0.562 55.682 56.400 -0.260 0.000 0.758 112 E CB 1.740 31.344 29.700 -0.160 0.000 1.195 112 E HN -0.056 nan 8.360 nan 0.000 0.419 113 F N 4.112 124.043 119.950 -0.031 0.000 2.588 113 F HA 0.385 4.911 4.527 -0.001 0.000 0.318 113 F C -1.906 173.905 175.800 0.018 0.000 1.155 113 F CA -0.578 57.485 58.000 0.105 0.000 0.967 113 F CB 1.035 40.146 39.000 0.184 0.000 1.236 113 F HN 0.419 nan 8.300 nan 0.000 0.455 114 Y N 4.173 124.104 120.300 -0.616 0.000 2.393 114 Y HA 0.392 4.942 4.550 -0.001 0.000 0.338 114 Y C 1.184 176.763 175.900 -0.534 0.000 1.029 114 Y CA 0.473 58.328 58.100 -0.408 0.000 1.239 114 Y CB 1.648 39.919 38.460 -0.315 0.000 1.170 114 Y HN 0.773 nan 8.280 nan 0.000 0.515 115 G N 2.555 111.369 108.800 0.023 0.000 3.159 115 G HA2 0.126 4.086 3.960 -0.001 0.000 0.232 115 G HA3 0.126 4.086 3.960 -0.001 0.000 0.232 115 G C -0.114 174.983 174.900 0.329 0.000 1.116 115 G CA 0.042 45.273 45.100 0.218 0.000 0.767 115 G HN 0.546 nan 8.290 nan 0.000 0.547 116 Q N -0.361 119.617 119.800 0.296 0.000 2.438 116 Q HA 0.469 4.809 4.340 -0.001 0.000 0.272 116 Q C -2.241 173.824 176.000 0.108 0.000 0.994 116 Q CA -0.487 55.466 55.803 0.249 0.000 0.887 116 Q CB 2.666 31.636 28.738 0.385 0.000 1.432 116 Q HN -0.046 nan 8.270 nan 0.000 0.392 117 V N 2.223 122.139 119.914 0.003 0.000 2.525 117 V HA 0.905 5.025 4.120 -0.001 0.000 0.299 117 V C -0.039 175.973 176.094 -0.137 0.000 1.034 117 V CA 0.285 62.537 62.300 -0.080 0.000 0.863 117 V CB 1.336 33.144 31.823 -0.025 0.000 0.999 117 V HN 1.033 nan 8.190 nan 0.000 0.423 118 G N 3.640 112.332 108.800 -0.180 0.000 2.784 118 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.686 118 G HA3 -0.058 3.901 3.960 -0.001 0.000 0.686 118 G C -1.101 173.711 174.900 -0.145 0.000 1.156 118 G CA -0.554 44.452 45.100 -0.156 0.000 0.757 118 G HN 0.805 nan 8.290 nan 0.000 0.642 119 Q N 0.866 120.617 119.800 -0.082 0.000 2.256 119 Q HA 0.558 4.898 4.340 -0.001 0.000 0.257 119 Q C 1.664 177.577 176.000 -0.145 0.000 0.936 119 Q CA 0.101 55.918 55.803 0.024 0.000 0.903 119 Q CB 1.195 29.998 28.738 0.108 0.000 1.263 119 Q HN 1.143 nan 8.270 nan 0.000 0.440 120 G N 3.924 112.598 108.800 -0.210 0.000 2.553 120 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.218 120 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.218 120 G C 0.685 175.328 174.900 -0.428 0.000 1.195 120 G CA 1.207 45.920 45.100 -0.645 0.000 0.779 120 G HN 0.725 nan 8.290 nan 0.000 0.577 121 D N 0.861 121.251 120.400 -0.017 0.000 2.097 121 D HA -0.005 4.634 4.640 -0.001 0.000 0.195 121 D C 2.854 179.205 176.300 0.085 0.000 0.989 121 D CA 1.374 55.426 54.000 0.087 0.000 0.827 121 D CB -0.679 40.201 40.800 0.133 0.000 0.966 121 D HN 0.312 nan 8.370 nan 0.000 0.456 122 A N 0.599 123.452 122.820 0.055 0.000 1.902 122 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 122 A C 1.976 179.617 177.584 0.094 0.000 1.181 122 A CA 2.157 54.237 52.037 0.073 0.000 0.623 122 A CB -0.740 18.283 19.000 0.037 0.000 0.818 122 A HN 0.233 nan 8.150 nan 0.000 0.443 123 D N -1.403 119.011 120.400 0.024 0.000 2.097 123 D HA -0.154 4.485 4.640 -0.001 0.000 0.197 123 D C 1.687 178.147 176.300 0.267 0.000 0.984 123 D CA 1.382 55.431 54.000 0.082 0.000 0.826 123 D CB -0.237 40.535 40.800 -0.048 0.000 0.973 123 D HN 0.726 nan 8.370 nan 0.000 0.460 124 H N -0.941 118.205 119.070 0.126 0.000 2.521 124 H HA 0.133 4.688 4.556 -0.001 0.000 0.286 124 H C 1.702 177.247 175.328 0.361 0.000 1.034 124 H CA 0.339 56.501 56.048 0.191 0.000 1.278 124 H CB 0.220 30.087 29.762 0.175 0.000 1.386 124 H HN 0.174 nan 8.280 nan 0.000 0.567 125 A N 0.944 124.039 122.820 0.459 0.000 2.167 125 A HA -0.022 4.297 4.320 -0.001 0.000 0.214 125 A C 0.446 178.462 177.584 0.720 0.000 1.151 125 A CA 0.103 52.429 52.037 0.481 0.000 0.735 125 A CB -0.373 18.806 19.000 0.299 0.000 0.802 125 A HN 0.297 nan 8.150 nan 0.000 0.467 126 F N -0.839 119.352 119.950 0.401 0.000 2.443 126 F HA 0.564 5.090 4.527 -0.001 0.000 0.335 126 F C -0.762 175.000 175.800 -0.063 0.000 1.104 126 F CA -1.567 56.577 58.000 0.240 0.000 1.013 126 F CB 0.896 39.968 39.000 0.121 0.000 1.136 126 F HN 0.208 nan 8.300 nan 0.000 0.470 127 W N 8.060 128.485 121.300 -1.458 0.000 2.587 127 W HA 0.578 5.237 4.660 -0.001 0.000 0.324 127 W C -0.850 174.783 176.519 -1.476 0.000 1.008 127 W CA -0.530 55.855 57.345 -1.600 0.000 1.265 127 W CB 1.366 29.450 29.460 -2.294 0.000 1.328 127 W HN 0.969 nan 8.180 nan 0.000 0.432 128 G N 4.168 112.131 108.800 -1.395 0.000 2.335 128 G HA2 0.277 4.236 3.960 -0.001 0.000 0.291 128 G HA3 0.277 4.236 3.960 -0.001 0.000 0.291 128 G C -1.541 173.251 174.900 -0.180 0.000 1.261 128 G CA -1.207 43.484 45.100 -0.681 0.000 0.871 128 G HN 0.260 nan 8.290 nan 0.000 0.491 129 R N 1.273 121.797 120.500 0.040 0.000 2.490 129 R HA 0.303 4.642 4.340 -0.001 0.000 0.280 129 R C -1.305 174.921 176.300 -0.124 0.000 1.077 129 R CA -1.173 54.938 56.100 0.018 0.000 1.065 129 R CB 1.541 31.859 30.300 0.029 0.000 1.003 129 R HN 0.302 nan 8.270 nan 0.000 0.470 130 P HA -0.239 nan 4.420 nan 0.000 0.218 130 P C 0.568 177.582 177.300 -0.477 0.000 1.148 130 P CA 1.433 63.873 63.100 -1.100 0.000 0.822 130 P CB 0.172 30.974 31.700 -1.497 0.000 0.784 131 E N 0.023 120.070 120.200 -0.255 0.000 2.409 131 E HA -0.155 4.194 4.350 -0.001 0.000 0.198 131 E C 0.527 177.049 176.600 -0.130 0.000 1.024 131 E CA 0.932 57.242 56.400 -0.150 0.000 0.861 131 E CB -0.825 28.826 29.700 -0.081 0.000 0.788 131 E HN 0.235 nan 8.360 nan 0.000 0.521 132 D N 0.514 120.847 120.400 -0.113 0.000 2.349 132 D HA 0.144 4.784 4.640 -0.001 0.000 0.214 132 D C 0.455 176.614 176.300 -0.235 0.000 1.063 132 D CA 0.055 54.019 54.000 -0.061 0.000 0.847 132 D CB 0.033 40.901 40.800 0.113 0.000 0.933 132 D HN 0.218 nan 8.370 nan 0.000 0.513 133 M N 0.307 119.632 119.600 -0.459 0.000 2.248 133 M HA 0.026 4.505 4.480 -0.001 0.000 0.345 133 M C 1.202 177.276 176.300 -0.377 0.000 1.243 133 M CA 0.704 55.585 55.300 -0.699 0.000 1.090 133 M CB 0.846 33.079 32.600 -0.612 0.000 1.683 133 M HN -0.096 nan 8.290 nan 0.000 0.450 134 T N -1.115 113.238 114.554 -0.336 0.000 3.087 134 T HA 0.226 4.575 4.350 -0.001 0.000 0.283 134 T C 0.280 174.897 174.700 -0.139 0.000 0.956 134 T CA -0.653 61.340 62.100 -0.177 0.000 0.894 134 T CB 0.309 69.113 68.868 -0.108 0.000 1.160 134 T HN 0.663 nan 8.240 nan 0.000 0.532 135 M N 1.977 121.475 119.600 -0.171 0.000 2.247 135 M HA 0.781 5.261 4.480 -0.001 0.000 0.326 135 M C 0.079 176.323 176.300 -0.092 0.000 1.134 135 M CA -0.842 54.398 55.300 -0.100 0.000 1.136 135 M CB 0.020 32.574 32.600 -0.077 0.000 1.454 135 M HN 0.081 nan 8.290 nan 0.000 0.467 136 A N 2.956 125.741 122.820 -0.059 0.000 2.498 136 A HA 0.340 4.660 4.320 -0.001 0.000 0.239 136 A C -0.060 177.480 177.584 -0.074 0.000 1.068 136 A CA -0.236 51.765 52.037 -0.060 0.000 0.766 136 A CB -0.066 18.912 19.000 -0.037 0.000 1.003 136 A HN 0.850 nan 8.150 nan 0.000 0.497 137 R N 2.618 123.062 120.500 -0.093 0.000 2.402 137 R HA 0.304 4.643 4.340 -0.001 0.000 0.290 137 R C -2.763 173.441 176.300 -0.160 0.000 1.321 137 R CA -1.433 54.597 56.100 -0.115 0.000 1.283 137 R CB 0.870 31.107 30.300 -0.105 0.000 1.111 137 R HN 0.514 nan 8.270 nan 0.000 0.578 138 P HA 0.040 nan 4.420 nan 0.000 0.269 138 P C -0.954 176.029 177.300 -0.528 0.000 1.209 138 P CA -0.110 62.785 63.100 -0.342 0.000 0.776 138 P CB 0.978 32.455 31.700 -0.371 0.000 0.876 139 A N 2.402 124.965 122.820 -0.428 0.000 2.331 139 A HA 0.653 4.972 4.320 -0.001 0.000 0.320 139 A C -1.434 176.056 177.584 -0.157 0.000 1.138 139 A CA -0.401 51.489 52.037 -0.246 0.000 0.790 139 A CB 0.444 19.398 19.000 -0.077 0.000 1.206 139 A HN 0.412 nan 8.150 nan 0.000 0.470 140 Y N 1.249 121.686 120.300 0.228 0.000 2.429 140 Y HA 0.601 5.151 4.550 -0.001 0.000 0.342 140 Y C 0.497 176.384 175.900 -0.021 0.000 1.004 140 Y CA -0.914 57.255 58.100 0.115 0.000 1.075 140 Y CB 1.993 40.521 38.460 0.114 0.000 1.214 140 Y HN 0.783 nan 8.280 nan 0.000 0.455 141 K N 2.635 122.997 120.400 -0.062 0.000 2.444 141 K HA 0.871 5.190 4.320 -0.001 0.000 0.252 141 K C -1.322 175.244 176.600 -0.057 0.000 0.993 141 K CA -0.921 55.175 56.287 -0.319 0.000 0.847 141 K CB 2.570 34.446 32.500 -1.040 0.000 1.340 141 K HN 0.704 nan 8.250 nan 0.000 0.446 142 I N -1.297 119.300 120.570 0.045 0.000 2.648 142 I HA 0.641 4.811 4.170 -0.001 0.000 0.304 142 I C -1.347 174.887 176.117 0.196 0.000 1.009 142 I CA -0.653 60.757 61.300 0.183 0.000 1.114 142 I CB 1.804 39.992 38.000 0.314 0.000 1.293 142 I HN 0.928 nan 8.210 nan 0.000 0.449 143 D N 0.513 121.050 120.400 0.227 0.000 2.838 143 D HA 0.183 4.822 4.640 -0.001 0.000 0.334 143 D C 0.689 177.063 176.300 0.123 0.000 1.315 143 D CA 0.037 54.070 54.000 0.055 0.000 0.917 143 D CB 0.642 41.381 40.800 -0.103 0.000 1.435 143 D HN 0.630 nan 8.370 nan 0.000 0.517 144 T N -2.648 111.806 114.554 -0.167 0.000 2.929 144 T HA -0.123 4.227 4.350 -0.001 0.000 0.271 144 T C 1.551 176.214 174.700 -0.062 0.000 1.085 144 T CA 1.738 63.632 62.100 -0.344 0.000 1.125 144 T CB -0.635 67.884 68.868 -0.583 0.000 0.874 144 T HN 0.477 nan 8.240 nan 0.000 0.494 145 S N 0.360 116.049 115.700 -0.019 0.000 2.503 145 S HA 0.247 4.716 4.470 -0.001 0.000 0.215 145 S C 0.926 175.545 174.600 0.033 0.000 1.003 145 S CA -0.662 57.550 58.200 0.020 0.000 0.910 145 S CB 0.110 63.313 63.200 0.005 0.000 0.790 145 S HN 0.289 nan 8.310 nan 0.000 0.514 146 R N 2.359 122.885 120.500 0.043 0.000 2.629 146 R HA 0.452 4.791 4.340 -0.001 0.000 0.275 146 R C -3.146 173.197 176.300 0.072 0.000 1.719 146 R CA -2.034 54.092 56.100 0.044 0.000 1.472 146 R CB 0.921 31.241 30.300 0.034 0.000 1.237 146 R HN 0.362 nan 8.270 nan 0.000 0.589 147 P HA 0.175 nan 4.420 nan 0.000 0.273 147 P C 0.102 177.343 177.300 -0.097 0.000 1.250 147 P CA -0.095 62.967 63.100 -0.064 0.000 0.793 147 P CB 1.054 32.693 31.700 -0.101 0.000 1.011 148 G N -0.338 108.319 108.800 -0.240 0.000 3.982 148 G HA2 0.182 4.141 3.960 -0.001 0.000 0.274 148 G HA3 0.182 4.141 3.960 -0.001 0.000 0.274 148 G C 0.671 175.408 174.900 -0.272 0.000 1.847 148 G CA -0.194 44.831 45.100 -0.125 0.000 0.608 148 G HN 0.302 nan 8.290 nan 0.000 0.407 149 S N 0.894 116.369 115.700 -0.376 0.000 2.400 149 S HA -0.138 4.332 4.470 -0.001 0.000 0.232 149 S C 2.179 176.715 174.600 -0.106 0.000 1.025 149 S CA 2.021 60.017 58.200 -0.340 0.000 0.993 149 S CB 0.008 62.891 63.200 -0.528 0.000 0.808 149 S HN 0.738 nan 8.310 nan 0.000 0.478 150 D N 1.834 122.209 120.400 -0.041 0.000 2.084 150 D HA -0.070 4.569 4.640 -0.001 0.000 0.196 150 D C 1.823 178.069 176.300 -0.091 0.000 0.985 150 D CA 0.480 54.484 54.000 0.008 0.000 0.826 150 D CB -0.789 39.938 40.800 -0.120 0.000 0.978 150 D HN 0.322 nan 8.370 nan 0.000 0.456 151 L N 0.678 121.713 121.223 -0.313 0.000 2.027 151 L HA 0.073 4.412 4.340 -0.001 0.000 0.206 151 L C 2.253 179.026 176.870 -0.162 0.000 1.074 151 L CA 2.046 56.729 54.840 -0.261 0.000 0.745 151 L CB -1.014 40.845 42.059 -0.332 0.000 0.898 151 L HN 0.090 nan 8.230 nan 0.000 0.433 152 A N -0.589 122.111 122.820 -0.199 0.000 1.930 152 A HA -0.021 4.298 4.320 -0.001 0.000 0.217 152 A C 2.311 179.789 177.584 -0.176 0.000 1.175 152 A CA 1.444 53.308 52.037 -0.290 0.000 0.627 152 A CB -1.556 17.297 19.000 -0.246 0.000 0.815 152 A HN 0.545 nan 8.150 nan 0.000 0.443 153 G N -0.470 108.307 108.800 -0.038 0.000 2.421 153 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.216 153 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.216 153 G C 1.473 176.470 174.900 0.161 0.000 1.171 153 G CA 1.289 46.467 45.100 0.129 0.000 0.775 153 G HN 0.535 nan 8.290 nan 0.000 0.543 154 E N 0.405 120.730 120.200 0.208 0.000 2.110 154 E HA -0.065 4.285 4.350 -0.001 0.000 0.193 154 E C 2.615 179.213 176.600 -0.003 0.000 0.988 154 E CA 1.574 58.133 56.400 0.266 0.000 0.804 154 E CB -0.540 29.408 29.700 0.413 0.000 0.745 154 E HN 0.329 nan 8.360 nan 0.000 0.458 155 T N 0.008 114.439 114.554 -0.204 0.000 2.821 155 T HA -0.066 4.284 4.350 -0.001 0.000 0.267 155 T C 1.795 176.291 174.700 -0.340 0.000 1.046 155 T CA 1.230 63.035 62.100 -0.493 0.000 1.139 155 T CB -0.388 67.972 68.868 -0.845 0.000 0.871 155 T HN 0.328 nan 8.240 nan 0.000 0.454 156 A N 1.486 124.171 122.820 -0.225 0.000 1.902 156 A HA 0.189 4.508 4.320 -0.001 0.000 0.217 156 A C 2.643 180.124 177.584 -0.172 0.000 1.181 156 A CA 1.726 53.679 52.037 -0.141 0.000 0.623 156 A CB -1.065 17.937 19.000 0.003 0.000 0.818 156 A HN 0.496 nan 8.150 nan 0.000 0.443 157 A N -0.052 122.658 122.820 -0.182 0.000 1.877 157 A HA 0.149 4.469 4.320 -0.001 0.000 0.216 157 A C 2.519 179.761 177.584 -0.569 0.000 1.186 157 A CA 2.142 53.936 52.037 -0.405 0.000 0.620 157 A CB -1.055 17.657 19.000 -0.479 0.000 0.822 157 A HN 1.053 nan 8.150 nan 0.000 0.443 158 A N -0.292 122.317 122.820 -0.351 0.000 1.902 158 A HA -0.052 4.267 4.320 -0.001 0.000 0.217 158 A C 2.183 179.664 177.584 -0.173 0.000 1.181 158 A CA 1.550 53.436 52.037 -0.252 0.000 0.623 158 A CB -0.623 18.361 19.000 -0.026 0.000 0.818 158 A HN 0.474 nan 8.150 nan 0.000 0.443 159 L N -0.895 120.255 121.223 -0.121 0.000 2.056 159 L HA -0.170 4.169 4.340 -0.001 0.000 0.207 159 L C 3.092 179.887 176.870 -0.126 0.000 1.078 159 L CA 1.014 55.812 54.840 -0.069 0.000 0.749 159 L CB -0.529 41.500 42.059 -0.050 0.000 0.901 159 L HN 0.438 nan 8.230 nan 0.000 0.433 160 A N 0.024 122.734 122.820 -0.185 0.000 1.898 160 A HA -0.141 4.178 4.320 -0.001 0.000 0.216 160 A C 2.533 180.020 177.584 -0.162 0.000 1.181 160 A CA 1.657 53.597 52.037 -0.163 0.000 0.620 160 A CB -0.696 18.204 19.000 -0.168 0.000 0.819 160 A HN 0.385 nan 8.150 nan 0.000 0.442 161 A N -0.128 122.465 122.820 -0.379 0.000 1.902 161 A HA 0.168 4.487 4.320 -0.001 0.000 0.217 161 A C 2.481 179.945 177.584 -0.200 0.000 1.181 161 A CA 2.046 53.797 52.037 -0.477 0.000 0.623 161 A CB -0.975 17.332 19.000 -1.156 0.000 0.818 161 A HN 1.063 nan 8.150 nan 0.000 0.443 162 A N 0.311 123.053 122.820 -0.131 0.000 1.969 162 A HA -0.060 4.260 4.320 -0.001 0.000 0.218 162 A C 2.461 180.116 177.584 0.117 0.000 1.169 162 A CA 2.131 54.194 52.037 0.043 0.000 0.635 162 A CB -0.912 18.178 19.000 0.149 0.000 0.810 162 A HN 1.018 nan 8.150 nan 0.000 0.445 163 S N 0.057 115.766 115.700 0.015 0.000 2.399 163 S HA -0.120 4.350 4.470 -0.001 0.000 0.231 163 S C 1.828 176.451 174.600 0.039 0.000 1.022 163 S CA 1.405 59.617 58.200 0.020 0.000 0.983 163 S CB -0.689 62.486 63.200 -0.041 0.000 0.803 163 S HN 0.500 nan 8.310 nan 0.000 0.480 164 I N 1.132 121.705 120.570 0.006 0.000 2.233 164 I HA -0.090 4.080 4.170 -0.001 0.000 0.243 164 I C 2.493 178.590 176.117 -0.035 0.000 1.093 164 I CA 0.837 62.136 61.300 -0.002 0.000 1.380 164 I CB -0.522 37.493 38.000 0.025 0.000 1.067 164 I HN 0.189 nan 8.210 nan 0.000 0.413 165 V N 0.659 120.514 119.914 -0.098 0.000 2.324 165 V HA -0.297 3.822 4.120 -0.001 0.000 0.250 165 V C 1.872 177.740 176.094 -0.377 0.000 1.060 165 V CA 2.093 64.219 62.300 -0.289 0.000 1.042 165 V CB -0.623 30.912 31.823 -0.481 0.000 0.650 165 V HN 0.304 nan 8.190 nan 0.000 0.450 166 F N -0.760 119.201 119.950 0.017 0.000 2.727 166 F HA 0.251 4.777 4.527 -0.001 0.000 0.302 166 F C 2.078 177.898 175.800 0.033 0.000 1.097 166 F CA 0.014 58.044 58.000 0.050 0.000 1.330 166 F CB -0.454 38.628 39.000 0.137 0.000 1.084 166 F HN -0.064 nan 8.300 nan 0.000 0.578 167 R N 0.774 121.349 120.500 0.125 0.000 2.119 167 R HA -0.210 4.129 4.340 -0.001 0.000 0.246 167 R C 1.626 177.969 176.300 0.072 0.000 1.146 167 R CA 2.147 58.293 56.100 0.078 0.000 0.962 167 R CB -0.096 30.220 30.300 0.028 0.000 0.863 167 R HN 0.231 nan 8.270 nan 0.000 0.442 168 N N -0.700 118.037 118.700 0.061 0.000 2.436 168 N HA -0.089 4.650 4.740 -0.001 0.000 0.178 168 N C 1.577 177.131 175.510 0.074 0.000 1.026 168 N CA 0.875 53.956 53.050 0.052 0.000 0.880 168 N CB -0.141 38.361 38.487 0.026 0.000 1.061 168 N HN 0.079 nan 8.380 nan 0.000 0.434 169 V N 0.838 120.812 119.914 0.101 0.000 2.515 169 V HA -0.065 4.055 4.120 -0.001 0.000 0.250 169 V C -0.169 176.018 176.094 0.155 0.000 1.058 169 V CA 1.566 63.941 62.300 0.125 0.000 1.064 169 V CB -0.033 31.878 31.823 0.147 0.000 0.675 169 V HN 0.119 nan 8.190 nan 0.000 0.461 170 D N -1.474 119.052 120.400 0.210 0.000 2.527 170 D HA 0.285 4.925 4.640 -0.001 0.000 0.242 170 D C 1.033 177.429 176.300 0.160 0.000 1.285 170 D CA 0.542 54.641 54.000 0.165 0.000 0.886 170 D CB 0.821 41.712 40.800 0.152 0.000 1.402 170 D HN 0.212 nan 8.370 nan 0.000 0.528 171 G N 0.961 109.823 108.800 0.105 0.000 2.442 171 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.219 171 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.219 171 G C 1.364 176.305 174.900 0.068 0.000 1.141 171 G CA 1.455 46.602 45.100 0.079 0.000 0.763 171 G HN 0.451 nan 8.290 nan 0.000 0.554 172 T N -0.226 114.369 114.554 0.068 0.000 2.708 172 T HA -0.166 4.183 4.350 -0.001 0.000 0.266 172 T C 2.008 176.760 174.700 0.086 0.000 1.037 172 T CA 1.326 63.462 62.100 0.060 0.000 1.146 172 T CB -0.329 68.569 68.868 0.049 0.000 0.865 172 T HN 0.314 nan 8.240 nan 0.000 0.435 173 Y N 1.643 121.909 120.300 -0.056 0.000 2.200 173 Y HA -0.086 4.463 4.550 -0.001 0.000 0.290 173 Y C 2.873 178.741 175.900 -0.052 0.000 1.137 173 Y CA 1.107 59.142 58.100 -0.109 0.000 1.163 173 Y CB -0.845 37.458 38.460 -0.263 0.000 0.988 173 Y HN 0.158 nan 8.280 nan 0.000 0.518 174 S N 0.005 115.701 115.700 -0.006 0.000 2.359 174 S HA -0.272 4.198 4.470 -0.001 0.000 0.224 174 S C 1.838 176.398 174.600 -0.067 0.000 1.035 174 S CA 2.057 60.241 58.200 -0.027 0.000 1.018 174 S CB -0.649 62.600 63.200 0.082 0.000 0.876 174 S HN 0.741 nan 8.310 nan 0.000 0.448 175 N N 0.946 119.629 118.700 -0.027 0.000 2.120 175 N HA -0.091 4.648 4.740 -0.001 0.000 0.188 175 N C 1.632 177.123 175.510 -0.032 0.000 1.024 175 N CA 1.407 54.445 53.050 -0.020 0.000 0.852 175 N CB -0.240 38.248 38.487 0.001 0.000 1.003 175 N HN 0.443 nan 8.380 nan 0.000 0.424 176 N N 1.349 120.024 118.700 -0.041 0.000 2.084 176 N HA -0.104 4.635 4.740 -0.001 0.000 0.190 176 N C 1.894 177.421 175.510 0.028 0.000 1.030 176 N CA 0.799 53.854 53.050 0.009 0.000 0.849 176 N CB -0.485 38.023 38.487 0.035 0.000 1.012 176 N HN 0.249 nan 8.380 nan 0.000 0.423 177 L N 0.503 121.616 121.223 -0.183 0.000 2.013 177 L HA -0.181 4.159 4.340 -0.001 0.000 0.212 177 L C 2.370 179.219 176.870 -0.035 0.000 1.073 177 L CA 0.816 55.553 54.840 -0.172 0.000 0.753 177 L CB -0.470 41.393 42.059 -0.326 0.000 0.890 177 L HN 0.127 nan 8.230 nan 0.000 0.432 178 L N -0.678 120.515 121.223 -0.049 0.000 2.046 178 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 178 L C 2.482 179.352 176.870 0.000 0.000 1.077 178 L CA 2.002 56.823 54.840 -0.032 0.000 0.747 178 L CB -0.704 41.335 42.059 -0.034 0.000 0.896 178 L HN 0.154 nan 8.230 nan 0.000 0.432 179 T N -1.294 113.259 114.554 -0.001 0.000 2.684 179 T HA -0.209 4.141 4.350 -0.001 0.000 0.267 179 T C 1.791 176.477 174.700 -0.024 0.000 1.036 179 T CA 1.713 63.795 62.100 -0.031 0.000 1.148 179 T CB -0.438 68.371 68.868 -0.099 0.000 0.863 179 T HN 0.474 nan 8.240 nan 0.000 0.436 180 H N 0.648 119.751 119.070 0.054 0.000 2.389 180 H HA 0.111 4.666 4.556 -0.001 0.000 0.299 180 H C 2.625 177.936 175.328 -0.028 0.000 1.081 180 H CA 1.316 57.418 56.048 0.091 0.000 1.345 180 H CB -0.395 29.428 29.762 0.101 0.000 1.393 180 H HN 0.395 nan 8.280 nan 0.000 0.520 181 A N 1.508 124.368 122.820 0.067 0.000 1.877 181 A HA -0.189 4.131 4.320 -0.001 0.000 0.216 181 A C 2.517 180.120 177.584 0.032 0.000 1.186 181 A CA 1.330 53.358 52.037 -0.016 0.000 0.620 181 A CB -0.399 18.557 19.000 -0.072 0.000 0.822 181 A HN 0.318 nan 8.150 nan 0.000 0.443 182 R N -0.568 119.969 120.500 0.063 0.000 2.081 182 R HA -0.161 4.179 4.340 -0.001 0.000 0.235 182 R C 2.494 178.927 176.300 0.222 0.000 1.131 182 R CA 1.772 57.972 56.100 0.166 0.000 0.960 182 R CB -0.374 30.028 30.300 0.171 0.000 0.856 182 R HN 0.708 nan 8.270 nan 0.000 0.436 183 Q N 0.438 120.337 119.800 0.165 0.000 2.079 183 Q HA -0.093 4.246 4.340 -0.001 0.000 0.200 183 Q C 2.229 178.346 176.000 0.194 0.000 0.974 183 Q CA 1.095 57.015 55.803 0.195 0.000 0.840 183 Q CB -0.069 28.816 28.738 0.245 0.000 0.898 183 Q HN 0.340 nan 8.270 nan 0.000 0.430 184 L N -0.313 120.951 121.223 0.069 0.000 2.141 184 L HA -0.147 4.192 4.340 -0.001 0.000 0.209 184 L C 2.240 179.181 176.870 0.118 0.000 1.094 184 L CA 0.706 55.554 54.840 0.012 0.000 0.763 184 L CB -0.271 41.630 42.059 -0.264 0.000 0.908 184 L HN 0.214 nan 8.230 nan 0.000 0.437 185 F N 1.137 121.108 119.950 0.036 0.000 2.146 185 F HA -0.209 4.318 4.527 -0.001 0.000 0.298 185 F C 2.152 178.028 175.800 0.126 0.000 1.096 185 F CA 1.562 59.602 58.000 0.066 0.000 1.275 185 F CB -0.216 38.834 39.000 0.084 0.000 1.008 185 F HN 0.080 nan 8.300 nan 0.000 0.480 186 D N -0.036 120.422 120.400 0.096 0.000 2.123 186 D HA -0.217 4.423 4.640 -0.001 0.000 0.196 186 D C 2.120 178.468 176.300 0.080 0.000 0.992 186 D CA 1.349 55.368 54.000 0.033 0.000 0.833 186 D CB -0.703 40.200 40.800 0.172 0.000 0.954 186 D HN 0.335 nan 8.370 nan 0.000 0.455 187 F N 1.763 121.728 119.950 0.025 0.000 2.102 187 F HA -0.114 4.413 4.527 -0.001 0.000 0.298 187 F C 2.143 177.974 175.800 0.053 0.000 1.105 187 F CA 1.444 59.514 58.000 0.117 0.000 1.239 187 F CB -0.743 38.295 39.000 0.065 0.000 0.991 187 F HN -0.057 nan 8.300 nan 0.000 0.474 188 A N 0.134 122.780 122.820 -0.290 0.000 1.902 188 A HA -0.251 4.069 4.320 -0.001 0.000 0.217 188 A C 2.102 179.455 177.584 -0.385 0.000 1.181 188 A CA 2.006 53.778 52.037 -0.441 0.000 0.623 188 A CB -1.130 17.702 19.000 -0.281 0.000 0.818 188 A HN 0.523 nan 8.150 nan 0.000 0.443 189 N N -0.054 118.367 118.700 -0.465 0.000 2.300 189 N HA -0.070 4.670 4.740 -0.001 0.000 0.179 189 N C 1.274 176.631 175.510 -0.256 0.000 1.016 189 N CA 1.284 54.095 53.050 -0.398 0.000 0.876 189 N CB -0.234 37.858 38.487 -0.658 0.000 0.979 189 N HN 0.416 nan 8.380 nan 0.000 0.432 190 N N -0.811 117.743 118.700 -0.244 0.000 2.446 190 N HA -0.048 4.691 4.740 -0.001 0.000 0.179 190 N C -0.607 174.519 175.510 -0.640 0.000 1.054 190 N CA 0.550 53.375 53.050 -0.374 0.000 0.905 190 N CB 0.209 38.476 38.487 -0.367 0.000 0.973 190 N HN 0.312 nan 8.380 nan 0.000 0.448 191 Y N 1.216 121.428 120.300 -0.147 0.000 2.749 191 Y HA 0.343 4.893 4.550 -0.001 0.000 0.343 191 Y C -0.120 175.596 175.900 -0.307 0.000 1.015 191 Y CA -0.909 57.096 58.100 -0.158 0.000 1.270 191 Y CB 0.626 39.043 38.460 -0.072 0.000 1.097 191 Y HN -0.363 nan 8.280 nan 0.000 0.571 192 R N 1.914 122.297 120.500 -0.196 0.000 2.442 192 R HA 0.692 5.031 4.340 -0.001 0.000 0.291 192 R C 0.339 176.391 176.300 -0.415 0.000 1.069 192 R CA -0.273 55.596 56.100 -0.386 0.000 1.022 192 R CB 0.619 30.807 30.300 -0.187 0.000 0.976 192 R HN 0.878 nan 8.270 nan 0.000 0.443 193 G N 1.511 109.836 108.800 -0.793 0.000 2.340 193 G HA2 0.107 4.066 3.960 -0.001 0.000 0.298 193 G HA3 0.107 4.066 3.960 -0.001 0.000 0.298 193 G C -1.519 173.186 174.900 -0.324 0.000 1.498 193 G CA -1.023 43.840 45.100 -0.396 0.000 0.847 193 G HN 0.310 nan 8.290 nan 0.000 0.594 194 K N 0.689 121.092 120.400 0.005 0.000 2.258 194 K HA 0.304 4.623 4.320 -0.001 0.000 0.284 194 K C 1.010 177.616 176.600 0.009 0.000 1.051 194 K CA -0.731 55.610 56.287 0.091 0.000 0.923 194 K CB 1.256 33.830 32.500 0.123 0.000 1.046 194 K HN 0.671 nan 8.250 nan 0.000 0.474 195 Y N 1.785 122.025 120.300 -0.100 0.000 2.256 195 Y HA -0.238 4.311 4.550 -0.001 0.000 0.288 195 Y C 1.655 177.551 175.900 -0.007 0.000 1.155 195 Y CA 1.671 59.733 58.100 -0.063 0.000 1.203 195 Y CB -0.550 37.861 38.460 -0.082 0.000 0.980 195 Y HN 0.523 nan 8.280 nan 0.000 0.530 196 S N -1.020 114.115 115.700 -0.941 0.000 2.555 196 S HA -0.096 4.374 4.470 -0.001 0.000 0.230 196 S C 1.038 175.454 174.600 -0.307 0.000 0.978 196 S CA 0.829 58.569 58.200 -0.767 0.000 0.934 196 S CB -0.268 62.562 63.200 -0.616 0.000 0.766 196 S HN 0.514 nan 8.310 nan 0.000 0.533 197 D N 1.102 121.386 120.400 -0.192 0.000 2.348 197 D HA 0.215 4.854 4.640 -0.001 0.000 0.211 197 D C 1.512 177.761 176.300 -0.084 0.000 0.998 197 D CA 0.431 54.369 54.000 -0.104 0.000 0.873 197 D CB 0.311 41.078 40.800 -0.054 0.000 0.925 197 D HN 0.413 nan 8.370 nan 0.000 0.524 198 S N -0.091 115.557 115.700 -0.087 0.000 2.541 198 S HA 0.228 4.697 4.470 -0.001 0.000 0.219 198 S C 1.209 175.769 174.600 -0.067 0.000 1.025 198 S CA -0.167 58.006 58.200 -0.045 0.000 0.917 198 S CB 0.800 64.005 63.200 0.008 0.000 0.859 198 S HN 0.096 nan 8.310 nan 0.000 0.584 199 I N 3.975 124.506 120.570 -0.064 0.000 2.213 199 I HA 0.053 4.223 4.170 -0.001 0.000 0.295 199 I C 1.568 177.591 176.117 -0.157 0.000 1.172 199 I CA -0.114 61.138 61.300 -0.079 0.000 1.443 199 I CB 0.163 38.241 38.000 0.130 0.000 1.491 199 I HN 0.405 nan 8.210 nan 0.000 0.652 200 T N -0.739 113.708 114.554 -0.178 0.000 2.881 200 T HA -0.231 4.119 4.350 -0.001 0.000 0.270 200 T C 1.415 176.061 174.700 -0.091 0.000 1.068 200 T CA 1.417 63.433 62.100 -0.139 0.000 1.131 200 T CB -0.164 68.633 68.868 -0.117 0.000 0.871 200 T HN 0.496 nan 8.240 nan 0.000 0.479 201 D N 1.974 122.302 120.400 -0.120 0.000 2.178 201 D HA 0.015 4.655 4.640 -0.001 0.000 0.201 201 D C 2.199 178.694 176.300 0.325 0.000 0.980 201 D CA 1.130 55.174 54.000 0.074 0.000 0.842 201 D CB -0.528 40.289 40.800 0.030 0.000 0.948 201 D HN 0.544 nan 8.370 nan 0.000 0.472 202 A N -0.137 122.852 122.820 0.282 0.000 2.168 202 A HA -0.033 4.287 4.320 -0.001 0.000 0.215 202 A C 2.096 179.766 177.584 0.143 0.000 1.152 202 A CA 0.729 53.007 52.037 0.401 0.000 0.716 202 A CB -0.494 18.752 19.000 0.411 0.000 0.794 202 A HN 0.173 nan 8.150 nan 0.000 0.465 203 R N 0.258 120.751 120.500 -0.012 0.000 2.193 203 R HA -0.070 4.270 4.340 -0.001 0.000 0.229 203 R C 0.543 176.758 176.300 -0.143 0.000 1.110 203 R CA 1.479 57.526 56.100 -0.088 0.000 0.988 203 R CB -0.089 30.147 30.300 -0.107 0.000 0.871 203 R HN 0.486 nan 8.270 nan 0.000 0.458 204 N N -0.881 117.658 118.700 -0.269 0.000 2.235 204 N HA 0.040 4.780 4.740 -0.001 0.000 0.209 204 N C -0.232 174.729 175.510 -0.914 0.000 1.122 204 N CA 0.383 53.094 53.050 -0.564 0.000 0.845 204 N CB 0.624 38.707 38.487 -0.673 0.000 1.004 204 N HN 0.168 nan 8.380 nan 0.000 0.499 205 F N -1.300 118.522 119.950 -0.214 0.000 2.455 205 F HA 0.274 4.801 4.527 -0.001 0.000 0.278 205 F C -0.043 175.230 175.800 -0.879 0.000 0.887 205 F CA -0.017 57.683 58.000 -0.500 0.000 1.104 205 F CB 0.453 39.156 39.000 -0.495 0.000 0.949 205 F HN -0.179 nan 8.300 nan 0.000 0.750 206 Y N 0.834 121.036 120.300 -0.163 0.000 2.558 206 Y HA 0.643 5.192 4.550 -0.001 0.000 0.316 206 Y C 0.158 176.227 175.900 0.282 0.000 0.967 206 Y CA -1.454 56.528 58.100 -0.197 0.000 1.126 206 Y CB 0.243 38.448 38.460 -0.424 0.000 1.155 206 Y HN -0.001 nan 8.280 nan 0.000 0.628 207 A N 0.665 123.676 122.820 0.319 0.000 2.462 207 A HA 0.381 4.701 4.320 -0.001 0.000 0.243 207 A C 0.613 178.484 177.584 0.478 0.000 1.076 207 A CA 0.042 52.230 52.037 0.253 0.000 0.773 207 A CB 0.413 19.468 19.000 0.092 0.000 1.010 207 A HN 0.384 nan 8.150 nan 0.000 0.493 208 S N 1.407 117.316 115.700 0.349 0.000 2.513 208 S HA 0.466 4.935 4.470 -0.001 0.000 0.276 208 S C 1.121 175.837 174.600 0.193 0.000 1.254 208 S CA -0.094 58.339 58.200 0.389 0.000 1.053 208 S CB 0.980 64.335 63.200 0.259 0.000 0.958 208 S HN 1.254 nan 8.310 nan 0.000 0.491 209 A N 3.694 126.603 122.820 0.148 0.000 1.935 209 A HA 0.235 4.555 4.320 -0.001 0.000 0.214 209 A C 0.688 178.261 177.584 -0.018 0.000 1.178 209 A CA 0.658 52.710 52.037 0.025 0.000 0.640 209 A CB -0.080 18.898 19.000 -0.036 0.000 0.825 209 A HN 0.806 nan 8.150 nan 0.000 0.447 210 D N -3.158 117.261 120.400 0.033 0.000 2.769 210 D HA 0.292 4.932 4.640 -0.001 0.000 0.219 210 D C -0.590 175.747 176.300 0.062 0.000 1.245 210 D CA -0.451 53.519 54.000 -0.050 0.000 0.801 210 D CB 0.896 41.644 40.800 -0.087 0.000 1.598 210 D HN 0.148 nan 8.370 nan 0.000 0.485 211 Y N 1.766 122.099 120.300 0.055 0.000 2.478 211 Y HA 0.387 4.936 4.550 -0.001 0.000 0.261 211 Y C 1.819 177.741 175.900 0.037 0.000 1.127 211 Y CA 0.071 58.203 58.100 0.053 0.000 1.288 211 Y CB -0.139 38.321 38.460 -0.001 0.000 1.084 211 Y HN 0.165 nan 8.280 nan 0.000 0.530 212 R N 1.528 121.868 120.500 -0.266 0.000 2.096 212 R HA -0.149 4.191 4.340 -0.001 0.000 0.235 212 R C 1.656 177.948 176.300 -0.014 0.000 1.127 212 R CA 1.749 57.649 56.100 -0.333 0.000 0.968 212 R CB -0.487 29.211 30.300 -1.003 0.000 0.861 212 R HN 0.615 nan 8.270 nan 0.000 0.440 213 D N 0.616 120.992 120.400 -0.040 0.000 2.178 213 D HA -0.166 4.474 4.640 -0.001 0.000 0.202 213 D C 1.242 177.639 176.300 0.162 0.000 0.974 213 D CA 0.983 54.938 54.000 -0.076 0.000 0.841 213 D CB -0.205 40.513 40.800 -0.137 0.000 0.953 213 D HN 0.150 nan 8.370 nan 0.000 0.478 214 E N 0.541 120.894 120.200 0.255 0.000 2.150 214 E HA -0.001 4.349 4.350 -0.001 0.000 0.193 214 E C 2.334 179.196 176.600 0.436 0.000 0.985 214 E CA 0.318 56.948 56.400 0.384 0.000 0.814 214 E CB -0.282 29.650 29.700 0.387 0.000 0.752 214 E HN 0.333 nan 8.360 nan 0.000 0.466 215 L N -0.297 121.170 121.223 0.406 0.000 2.056 215 L HA -0.161 4.179 4.340 -0.001 0.000 0.207 215 L C 2.158 179.321 176.870 0.489 0.000 1.078 215 L CA 0.746 55.876 54.840 0.484 0.000 0.749 215 L CB -0.381 41.969 42.059 0.484 0.000 0.901 215 L HN 0.091 nan 8.230 nan 0.000 0.433 216 V N -1.024 119.126 119.914 0.393 0.000 2.358 216 V HA -0.307 3.812 4.120 -0.001 0.000 0.246 216 V C 2.088 178.355 176.094 0.288 0.000 1.047 216 V CA 1.769 64.245 62.300 0.293 0.000 1.035 216 V CB -0.731 31.238 31.823 0.244 0.000 0.658 216 V HN 0.630 nan 8.190 nan 0.000 0.452 217 W N 1.175 122.549 121.300 0.122 0.000 2.335 217 W HA -0.277 4.382 4.660 -0.001 0.000 0.311 217 W C 2.455 179.077 176.519 0.172 0.000 1.213 217 W CA 1.973 59.392 57.345 0.124 0.000 1.274 217 W CB -0.159 29.408 29.460 0.180 0.000 1.148 217 W HN 0.295 nan 8.180 nan 0.000 0.498 218 A N 0.950 123.945 122.820 0.292 0.000 1.877 218 A HA -0.109 4.210 4.320 -0.001 0.000 0.216 218 A C 2.114 179.562 177.584 -0.227 0.000 1.186 218 A CA 2.641 54.721 52.037 0.072 0.000 0.620 218 A CB -1.406 17.777 19.000 0.305 0.000 0.822 218 A HN 0.371 nan 8.150 nan 0.000 0.443 219 A N -0.158 122.501 122.820 -0.269 0.000 1.902 219 A HA 0.143 4.463 4.320 -0.001 0.000 0.217 219 A C 2.502 179.926 177.584 -0.267 0.000 1.181 219 A CA 2.152 53.903 52.037 -0.477 0.000 0.623 219 A CB -1.008 17.882 19.000 -0.184 0.000 0.818 219 A HN 1.065 nan 8.150 nan 0.000 0.443 220 A N -1.494 121.208 122.820 -0.197 0.000 1.902 220 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 220 A C 1.998 179.347 177.584 -0.391 0.000 1.181 220 A CA 1.370 53.245 52.037 -0.269 0.000 0.623 220 A CB -0.895 17.898 19.000 -0.344 0.000 0.818 220 A HN 0.745 nan 8.150 nan 0.000 0.443 221 W N -0.195 120.832 121.300 -0.455 0.000 2.388 221 W HA -0.027 4.632 4.660 -0.001 0.000 0.294 221 W C 2.071 178.325 176.519 -0.442 0.000 1.212 221 W CA 0.940 57.980 57.345 -0.509 0.000 1.271 221 W CB -0.247 28.825 29.460 -0.646 0.000 1.126 221 W HN 0.223 nan 8.180 nan 0.000 0.535 222 L N -1.077 119.950 121.223 -0.327 0.000 2.093 222 L HA -0.256 4.084 4.340 -0.001 0.000 0.208 222 L C 2.347 178.955 176.870 -0.437 0.000 1.085 222 L CA 1.167 55.645 54.840 -0.604 0.000 0.755 222 L CB -0.842 40.409 42.059 -1.346 0.000 0.904 222 L HN 0.080 nan 8.230 nan 0.000 0.435 223 Y N 0.770 120.862 120.300 -0.347 0.000 2.163 223 Y HA -0.268 4.281 4.550 -0.001 0.000 0.288 223 Y C 2.788 178.599 175.900 -0.149 0.000 1.136 223 Y CA 1.607 59.628 58.100 -0.132 0.000 1.147 223 Y CB -0.328 38.067 38.460 -0.109 0.000 0.987 223 Y HN -0.006 nan 8.280 nan 0.000 0.509 224 R N 0.134 120.412 120.500 -0.369 0.000 2.105 224 R HA -0.144 4.195 4.340 -0.001 0.000 0.239 224 R C 2.162 178.291 176.300 -0.287 0.000 1.135 224 R CA 1.368 57.217 56.100 -0.419 0.000 0.967 224 R CB -0.488 29.581 30.300 -0.386 0.000 0.861 224 R HN 0.439 nan 8.270 nan 0.000 0.442 225 A N -0.639 122.066 122.820 -0.192 0.000 2.072 225 A HA -0.046 4.274 4.320 -0.001 0.000 0.216 225 A C 1.842 179.348 177.584 -0.130 0.000 1.156 225 A CA 1.410 53.371 52.037 -0.127 0.000 0.701 225 A CB -0.080 18.862 19.000 -0.096 0.000 0.816 225 A HN 0.593 nan 8.150 nan 0.000 0.458 226 T N -5.557 108.906 114.554 -0.151 0.000 2.964 226 T HA 0.129 4.479 4.350 -0.001 0.000 0.249 226 T C 0.688 175.338 174.700 -0.082 0.000 1.000 226 T CA 0.740 62.801 62.100 -0.064 0.000 0.992 226 T CB -0.446 68.457 68.868 0.058 0.000 1.087 226 T HN 0.545 nan 8.240 nan 0.000 0.489 227 N N 1.006 119.565 118.700 -0.236 0.000 2.782 227 N HA -0.178 4.562 4.740 -0.001 0.000 0.251 227 N C -1.115 174.413 175.510 0.031 0.000 1.101 227 N CA 0.602 53.480 53.050 -0.288 0.000 0.764 227 N CB -0.908 37.476 38.487 -0.172 0.000 1.122 227 N HN 0.525 nan 8.380 nan 0.000 0.561 228 D N 0.645 121.153 120.400 0.180 0.000 2.365 228 D HA 0.178 4.817 4.640 -0.001 0.000 0.237 228 D C 0.973 177.470 176.300 0.328 0.000 1.190 228 D CA -0.118 54.022 54.000 0.232 0.000 0.867 228 D CB 0.111 41.057 40.800 0.244 0.000 1.050 228 D HN 0.302 nan 8.370 nan 0.000 0.491 229 N N 1.693 120.520 118.700 0.212 0.000 2.247 229 N HA -0.231 4.508 4.740 -0.001 0.000 0.189 229 N C 1.613 177.091 175.510 -0.053 0.000 1.009 229 N CA 1.172 54.263 53.050 0.069 0.000 0.872 229 N CB 0.166 38.664 38.487 0.018 0.000 0.980 229 N HN 0.385 nan 8.380 nan 0.000 0.436 230 T N -0.295 114.212 114.554 -0.078 0.000 2.759 230 T HA -0.170 4.180 4.350 -0.001 0.000 0.269 230 T C 1.415 176.004 174.700 -0.185 0.000 1.042 230 T CA 1.282 63.278 62.100 -0.173 0.000 1.140 230 T CB -0.237 68.465 68.868 -0.277 0.000 0.864 230 T HN 0.262 nan 8.240 nan 0.000 0.455 231 Y N 0.381 120.660 120.300 -0.035 0.000 2.263 231 Y HA 0.132 4.682 4.550 -0.001 0.000 0.292 231 Y C 2.060 177.853 175.900 -0.178 0.000 1.130 231 Y CA 0.539 58.581 58.100 -0.096 0.000 1.179 231 Y CB -0.660 37.763 38.460 -0.063 0.000 0.998 231 Y HN 0.215 nan 8.280 nan 0.000 0.532 232 L N 0.477 121.582 121.223 -0.197 0.000 2.056 232 L HA -0.178 4.162 4.340 -0.001 0.000 0.207 232 L C 1.623 178.331 176.870 -0.269 0.000 1.078 232 L CA 1.859 56.393 54.840 -0.509 0.000 0.749 232 L CB -0.927 40.417 42.059 -1.192 0.000 0.901 232 L HN 0.185 nan 8.230 nan 0.000 0.433 233 N N -1.655 116.926 118.700 -0.197 0.000 2.120 233 N HA -0.184 4.555 4.740 -0.001 0.000 0.188 233 N C 1.496 176.964 175.510 -0.071 0.000 1.024 233 N CA 1.675 54.652 53.050 -0.122 0.000 0.852 233 N CB -0.187 38.240 38.487 -0.099 0.000 1.003 233 N HN 0.368 nan 8.380 nan 0.000 0.424 234 T N 0.760 115.290 114.554 -0.040 0.000 2.737 234 T HA -0.087 4.262 4.350 -0.001 0.000 0.265 234 T C 2.114 176.832 174.700 0.031 0.000 1.038 234 T CA 1.162 63.278 62.100 0.027 0.000 1.144 234 T CB -0.352 68.591 68.868 0.124 0.000 0.866 234 T HN 0.321 nan 8.240 nan 0.000 0.434 235 A N 1.783 124.606 122.820 0.004 0.000 1.873 235 A HA -0.199 4.121 4.320 -0.001 0.000 0.218 235 A C 2.206 179.799 177.584 0.015 0.000 1.193 235 A CA 1.837 53.877 52.037 0.005 0.000 0.629 235 A CB -0.600 18.355 19.000 -0.075 0.000 0.826 235 A HN 0.582 nan 8.150 nan 0.000 0.447 236 E N -0.336 119.846 120.200 -0.031 0.000 2.152 236 E HA -0.083 4.266 4.350 -0.001 0.000 0.192 236 E C 2.315 178.934 176.600 0.031 0.000 0.983 236 E CA 1.080 57.487 56.400 0.013 0.000 0.818 236 E CB -0.141 29.544 29.700 -0.024 0.000 0.758 236 E HN 0.585 nan 8.360 nan 0.000 0.467 237 S N 1.042 116.728 115.700 -0.023 0.000 2.368 237 S HA -0.089 4.381 4.470 -0.001 0.000 0.224 237 S C 1.881 176.399 174.600 -0.138 0.000 1.029 237 S CA 0.670 58.836 58.200 -0.057 0.000 0.988 237 S CB -0.029 63.134 63.200 -0.062 0.000 0.838 237 S HN 0.158 nan 8.310 nan 0.000 0.462 238 L N 0.168 121.279 121.223 -0.185 0.000 2.093 238 L HA -0.032 4.307 4.340 -0.001 0.000 0.208 238 L C 2.115 178.729 176.870 -0.427 0.000 1.085 238 L CA 1.631 56.159 54.840 -0.519 0.000 0.755 238 L CB -1.468 40.385 42.059 -0.345 0.000 0.904 238 L HN 0.373 nan 8.230 nan 0.000 0.435 239 Y N 1.500 121.683 120.300 -0.195 0.000 2.165 239 Y HA -0.268 4.282 4.550 -0.001 0.000 0.286 239 Y C 2.362 178.215 175.900 -0.079 0.000 1.155 239 Y CA 1.841 59.886 58.100 -0.091 0.000 1.164 239 Y CB 0.025 38.489 38.460 0.006 0.000 0.978 239 Y HN 0.253 nan 8.280 nan 0.000 0.513 240 D N -0.189 120.294 120.400 0.138 0.000 2.123 240 D HA -0.166 4.474 4.640 -0.001 0.000 0.200 240 D C 2.054 178.341 176.300 -0.022 0.000 0.976 240 D CA 1.373 55.420 54.000 0.078 0.000 0.831 240 D CB -0.406 40.433 40.800 0.064 0.000 0.974 240 D HN 0.557 nan 8.370 nan 0.000 0.469 241 E N 0.020 120.140 120.200 -0.133 0.000 2.058 241 E HA -0.150 4.199 4.350 -0.001 0.000 0.194 241 E C 1.739 178.370 176.600 0.051 0.000 0.997 241 E CA 0.844 57.164 56.400 -0.134 0.000 0.801 241 E CB -0.133 29.359 29.700 -0.347 0.000 0.746 241 E HN 0.330 nan 8.360 nan 0.000 0.450 242 F N -0.346 119.607 119.950 0.004 0.000 2.710 242 F HA 0.165 4.691 4.527 -0.001 0.000 0.298 242 F C 1.456 177.296 175.800 0.067 0.000 1.137 242 F CA -0.049 57.972 58.000 0.035 0.000 1.444 242 F CB 0.372 39.333 39.000 -0.065 0.000 1.111 242 F HN 0.188 nan 8.300 nan 0.000 0.580 243 G N 1.556 110.409 108.800 0.089 0.000 2.295 243 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.287 243 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.287 243 G C 0.636 175.474 174.900 -0.104 0.000 1.055 243 G CA -0.009 45.114 45.100 0.039 0.000 0.922 243 G HN 0.296 nan 8.290 nan 0.000 0.503 244 L N 0.395 121.196 121.223 -0.704 0.000 2.261 244 L HA -0.139 4.200 4.340 -0.001 0.000 0.216 244 L C 3.132 179.697 176.870 -0.508 0.000 1.114 244 L CA 2.538 56.705 54.840 -1.122 0.000 0.777 244 L CB -0.262 40.903 42.059 -1.490 0.000 0.910 244 L HN 0.727 nan 8.230 nan 0.000 0.440 245 Q N -0.880 118.729 119.800 -0.320 0.000 2.297 245 Q HA -0.203 4.137 4.340 -0.001 0.000 0.208 245 Q C 0.803 176.858 176.000 0.092 0.000 0.981 245 Q CA 1.584 57.425 55.803 0.064 0.000 0.876 245 Q CB -0.577 28.265 28.738 0.175 0.000 0.921 245 Q HN 0.561 nan 8.270 nan 0.000 0.446 246 N N -0.722 118.055 118.700 0.129 0.000 2.236 246 N HA 0.053 4.792 4.740 -0.001 0.000 0.196 246 N C -0.664 174.977 175.510 0.219 0.000 1.114 246 N CA -0.043 53.098 53.050 0.152 0.000 0.859 246 N CB 0.129 38.687 38.487 0.119 0.000 0.982 246 N HN 0.166 nan 8.380 nan 0.000 0.493 247 W N 1.843 123.092 121.300 -0.084 0.000 2.150 247 W HA 0.403 5.063 4.660 -0.001 0.000 0.341 247 W C 1.328 177.792 176.519 -0.091 0.000 1.276 247 W CA -0.774 56.514 57.345 -0.094 0.000 1.238 247 W CB 0.066 29.458 29.460 -0.113 0.000 1.128 247 W HN -0.079 nan 8.180 nan 0.000 0.581 248 G N 1.419 110.271 108.800 0.086 0.000 2.353 248 G HA2 0.390 4.350 3.960 -0.001 0.000 0.239 248 G HA3 0.390 4.350 3.960 -0.001 0.000 0.239 248 G C 0.345 175.255 174.900 0.016 0.000 1.295 248 G CA -0.260 44.849 45.100 0.015 0.000 0.884 248 G HN 0.677 nan 8.290 nan 0.000 0.537 249 G N -0.225 108.565 108.800 -0.017 0.000 2.606 249 G HA2 0.672 4.632 3.960 -0.001 0.000 0.252 249 G HA3 0.672 4.632 3.960 -0.001 0.000 0.252 249 G C 0.463 175.256 174.900 -0.178 0.000 1.206 249 G CA 0.394 45.358 45.100 -0.226 0.000 0.861 249 G HN 1.846 nan 8.290 nan 0.000 0.561 250 G N -1.530 107.010 108.800 -0.434 0.000 2.402 250 G HA2 0.450 4.409 3.960 -0.001 0.000 0.666 250 G HA3 0.450 4.409 3.960 -0.001 0.000 0.666 250 G C -1.693 173.170 174.900 -0.062 0.000 1.402 250 G CA -0.315 44.739 45.100 -0.077 0.000 0.920 250 G HN 1.568 nan 8.290 nan 0.000 0.651 251 L N 1.505 122.769 121.223 0.068 0.000 2.409 251 L HA 0.920 5.259 4.340 -0.001 0.000 0.272 251 L C -0.496 176.428 176.870 0.090 0.000 0.980 251 L CA -0.466 54.425 54.840 0.085 0.000 0.826 251 L CB 1.892 44.097 42.059 0.244 0.000 1.268 251 L HN 1.375 nan 8.230 nan 0.000 0.407 252 N N 2.155 120.782 118.700 -0.121 0.000 3.261 252 N HA 0.272 5.011 4.740 -0.001 0.000 0.248 252 N C 0.202 175.125 175.510 -0.979 0.000 1.498 252 N CA -0.459 52.354 53.050 -0.395 0.000 0.884 252 N CB -0.142 38.178 38.487 -0.279 0.000 1.428 252 N HN 0.633 nan 8.380 nan 0.000 0.517 253 W N -0.991 119.606 121.300 -1.170 0.000 2.387 253 W HA -0.073 4.586 4.660 -0.001 0.000 0.272 253 W C 0.029 176.120 176.519 -0.713 0.000 1.224 253 W CA 1.854 58.493 57.345 -1.176 0.000 1.210 253 W CB -0.516 28.547 29.460 -0.662 0.000 1.125 253 W HN 0.606 nan 8.180 nan 0.000 0.572 254 D N 0.806 120.524 120.400 -1.136 0.000 2.259 254 D HA -0.011 4.629 4.640 -0.001 0.000 0.216 254 D C 0.460 176.598 176.300 -0.271 0.000 0.961 254 D CA 0.910 54.459 54.000 -0.751 0.000 0.878 254 D CB 0.224 40.280 40.800 -1.240 0.000 1.009 254 D HN -0.035 nan 8.370 nan 0.000 0.490 255 S N -0.399 115.107 115.700 -0.323 0.000 2.478 255 S HA 0.353 4.822 4.470 -0.001 0.000 0.312 255 S C 0.286 174.768 174.600 -0.196 0.000 1.094 255 S CA -0.661 57.449 58.200 -0.149 0.000 1.081 255 S CB 0.844 63.983 63.200 -0.102 0.000 1.007 255 S HN -0.063 nan 8.310 nan 0.000 0.475 256 K N 3.786 124.058 120.400 -0.214 0.000 2.358 256 K HA 0.159 4.478 4.320 -0.001 0.000 0.197 256 K C 1.770 178.192 176.600 -0.297 0.000 1.025 256 K CA 0.199 56.220 56.287 -0.443 0.000 1.104 256 K CB -0.385 31.652 32.500 -0.771 0.000 0.855 256 K HN 0.469 nan 8.250 nan 0.000 0.531 257 V N 1.659 121.480 119.914 -0.154 0.000 2.226 257 V HA -0.356 3.764 4.120 -0.001 0.000 0.254 257 V C 2.080 178.122 176.094 -0.087 0.000 1.065 257 V CA 2.449 64.681 62.300 -0.114 0.000 1.039 257 V CB -0.722 31.077 31.823 -0.041 0.000 0.653 257 V HN 0.297 nan 8.190 nan 0.000 0.450 258 S N 0.036 115.650 115.700 -0.143 0.000 2.399 258 S HA -0.091 4.378 4.470 -0.001 0.000 0.231 258 S C 1.962 176.612 174.600 0.084 0.000 1.022 258 S CA 1.182 59.303 58.200 -0.132 0.000 0.983 258 S CB -0.565 62.428 63.200 -0.345 0.000 0.803 258 S HN 0.747 nan 8.310 nan 0.000 0.480 259 G N 1.254 110.109 108.800 0.092 0.000 2.402 259 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.216 259 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.216 259 G C 1.448 176.553 174.900 0.341 0.000 1.162 259 G CA 0.765 46.048 45.100 0.305 0.000 0.777 259 G HN 0.406 nan 8.290 nan 0.000 0.539 260 V N 0.656 120.690 119.914 0.200 0.000 2.287 260 V HA -0.283 3.837 4.120 -0.001 0.000 0.248 260 V C 2.942 179.084 176.094 0.080 0.000 1.053 260 V CA 2.395 64.852 62.300 0.261 0.000 1.027 260 V CB -0.606 31.346 31.823 0.215 0.000 0.646 260 V HN 0.436 nan 8.190 nan 0.000 0.447 261 Q N -0.989 118.880 119.800 0.114 0.000 2.050 261 Q HA -0.165 4.175 4.340 -0.001 0.000 0.202 261 Q C 2.377 178.396 176.000 0.032 0.000 0.980 261 Q CA 1.813 57.663 55.803 0.079 0.000 0.840 261 Q CB -0.413 28.438 28.738 0.189 0.000 0.898 261 Q HN 0.517 nan 8.270 nan 0.000 0.424 262 V N 0.816 120.813 119.914 0.137 0.000 2.548 262 V HA -0.172 3.947 4.120 -0.001 0.000 0.249 262 V C 1.915 178.074 176.094 0.108 0.000 1.055 262 V CA 1.059 63.460 62.300 0.168 0.000 1.065 262 V CB -0.197 31.789 31.823 0.273 0.000 0.681 262 V HN 0.389 nan 8.190 nan 0.000 0.462 263 L N -0.923 120.335 121.223 0.059 0.000 2.005 263 L HA -0.126 4.214 4.340 -0.001 0.000 0.207 263 L C 2.349 179.055 176.870 -0.275 0.000 1.072 263 L CA 1.934 56.682 54.840 -0.154 0.000 0.744 263 L CB -0.188 41.637 42.059 -0.390 0.000 0.895 263 L HN 0.295 nan 8.230 nan 0.000 0.433 264 L N -0.404 120.582 121.223 -0.395 0.000 2.131 264 L HA -0.190 4.150 4.340 -0.001 0.000 0.210 264 L C 2.791 179.348 176.870 -0.521 0.000 1.092 264 L CA 0.983 55.436 54.840 -0.645 0.000 0.759 264 L CB -0.652 40.645 42.059 -1.270 0.000 0.903 264 L HN 0.325 nan 8.230 nan 0.000 0.435 265 A N 0.125 122.759 122.820 -0.310 0.000 1.933 265 A HA -0.262 4.058 4.320 -0.001 0.000 0.218 265 A C 2.402 179.982 177.584 -0.007 0.000 1.175 265 A CA 2.016 54.049 52.037 -0.008 0.000 0.628 265 A CB -0.376 18.679 19.000 0.091 0.000 0.814 265 A HN 0.350 nan 8.150 nan 0.000 0.444 266 K N -0.321 120.053 120.400 -0.043 0.000 2.062 266 K HA 0.032 4.352 4.320 -0.001 0.000 0.205 266 K C 1.809 178.381 176.600 -0.046 0.000 1.051 266 K CA 1.077 57.347 56.287 -0.029 0.000 0.941 266 K CB -0.264 32.221 32.500 -0.025 0.000 0.719 266 K HN 0.464 nan 8.250 nan 0.000 0.440 267 L N 0.595 121.765 121.223 -0.089 0.000 2.141 267 L HA -0.097 4.242 4.340 -0.001 0.000 0.209 267 L C 2.379 179.264 176.870 0.026 0.000 1.094 267 L CA 1.625 56.449 54.840 -0.027 0.000 0.763 267 L CB -0.422 41.623 42.059 -0.024 0.000 0.908 267 L HN 0.446 nan 8.230 nan 0.000 0.437 268 T N -5.714 108.831 114.554 -0.015 0.000 2.990 268 T HA 0.027 4.376 4.350 -0.001 0.000 0.249 268 T C 1.129 175.856 174.700 0.046 0.000 1.039 268 T CA 0.332 62.446 62.100 0.023 0.000 1.036 268 T CB -0.035 68.871 68.868 0.062 0.000 0.994 268 T HN 0.395 nan 8.240 nan 0.000 0.489 269 N N 0.562 119.292 118.700 0.051 0.000 2.828 269 N HA -0.169 4.571 4.740 -0.001 0.000 0.248 269 N C -0.891 174.656 175.510 0.060 0.000 1.044 269 N CA 0.330 53.409 53.050 0.049 0.000 0.851 269 N CB -0.896 37.608 38.487 0.028 0.000 1.136 269 N HN 0.549 nan 8.380 nan 0.000 0.572 270 K N 0.941 121.403 120.400 0.104 0.000 2.350 270 K HA -0.028 4.291 4.320 -0.001 0.000 0.279 270 K C 1.118 177.733 176.600 0.025 0.000 1.027 270 K CA -0.143 56.172 56.287 0.045 0.000 0.969 270 K CB 1.068 33.565 32.500 -0.004 0.000 0.954 270 K HN 0.143 nan 8.250 nan 0.000 0.474 271 Q N 3.150 122.936 119.800 -0.023 0.000 2.170 271 Q HA -0.169 4.170 4.340 -0.001 0.000 0.203 271 Q C 1.738 177.711 176.000 -0.044 0.000 0.976 271 Q CA 2.136 57.930 55.803 -0.015 0.000 0.858 271 Q CB -0.146 28.581 28.738 -0.019 0.000 0.907 271 Q HN 0.784 nan 8.270 nan 0.000 0.433 272 A N -0.511 122.219 122.820 -0.150 0.000 1.892 272 A HA -0.217 4.102 4.320 -0.001 0.000 0.218 272 A C 1.809 179.298 177.584 -0.157 0.000 1.188 272 A CA 1.752 53.666 52.037 -0.206 0.000 0.631 272 A CB -1.086 17.694 19.000 -0.367 0.000 0.822 272 A HN 0.550 nan 8.150 nan 0.000 0.447 273 Y N 0.301 120.578 120.300 -0.039 0.000 2.181 273 Y HA -0.146 4.404 4.550 -0.001 0.000 0.288 273 Y C 2.352 178.270 175.900 0.030 0.000 1.146 273 Y CA 1.561 59.641 58.100 -0.034 0.000 1.164 273 Y CB -0.401 38.001 38.460 -0.097 0.000 0.982 273 Y HN 0.294 nan 8.280 nan 0.000 0.515 274 K N -0.118 120.387 120.400 0.175 0.000 2.147 274 K HA -0.157 4.163 4.320 -0.001 0.000 0.205 274 K C 1.483 178.160 176.600 0.129 0.000 1.049 274 K CA 1.486 57.859 56.287 0.142 0.000 0.936 274 K CB -0.185 32.376 32.500 0.102 0.000 0.722 274 K HN 0.294 nan 8.250 nan 0.000 0.446 275 D N 0.424 120.881 120.400 0.094 0.000 2.097 275 D HA -0.111 4.529 4.640 -0.001 0.000 0.195 275 D C 1.895 178.268 176.300 0.121 0.000 0.989 275 D CA 1.373 55.426 54.000 0.088 0.000 0.827 275 D CB -0.386 40.444 40.800 0.051 0.000 0.966 275 D HN 0.128 nan 8.370 nan 0.000 0.456 276 T N 0.922 115.558 114.554 0.136 0.000 2.746 276 T HA -0.093 4.256 4.350 -0.001 0.000 0.267 276 T C 2.289 177.110 174.700 0.201 0.000 1.039 276 T CA 0.747 62.945 62.100 0.165 0.000 1.142 276 T CB -0.316 68.671 68.868 0.199 0.000 0.866 276 T HN -0.029 nan 8.240 nan 0.000 0.444 277 V N 1.443 121.484 119.914 0.212 0.000 2.295 277 V HA -0.216 3.903 4.120 -0.001 0.000 0.246 277 V C 2.644 178.896 176.094 0.262 0.000 1.049 277 V CA 1.649 64.098 62.300 0.248 0.000 1.024 277 V CB -0.698 31.261 31.823 0.227 0.000 0.648 277 V HN 0.497 nan 8.190 nan 0.000 0.447 278 Q N -0.389 119.550 119.800 0.231 0.000 2.061 278 Q HA -0.227 4.112 4.340 -0.001 0.000 0.204 278 Q C 2.577 178.692 176.000 0.191 0.000 0.984 278 Q CA 2.053 58.002 55.803 0.242 0.000 0.846 278 Q CB -0.385 28.467 28.738 0.189 0.000 0.902 278 Q HN 0.603 nan 8.270 nan 0.000 0.421 279 S N -0.296 115.507 115.700 0.172 0.000 2.359 279 S HA -0.227 4.242 4.470 -0.001 0.000 0.224 279 S C 1.814 176.523 174.600 0.181 0.000 1.035 279 S CA 1.410 59.701 58.200 0.152 0.000 1.018 279 S CB -0.384 62.896 63.200 0.133 0.000 0.876 279 S HN 0.522 nan 8.310 nan 0.000 0.448 280 Y N 2.101 122.453 120.300 0.085 0.000 2.114 280 Y HA -0.096 4.453 4.550 -0.001 0.000 0.284 280 Y C 2.207 178.147 175.900 0.066 0.000 1.143 280 Y CA 1.826 59.979 58.100 0.089 0.000 1.135 280 Y CB -0.885 37.620 38.460 0.074 0.000 0.980 280 Y HN 0.118 nan 8.280 nan 0.000 0.499 281 V N 1.378 121.164 119.914 -0.214 0.000 2.295 281 V HA -0.335 3.785 4.120 -0.001 0.000 0.246 281 V C 2.151 177.994 176.094 -0.418 0.000 1.049 281 V CA 2.199 64.196 62.300 -0.506 0.000 1.024 281 V CB -0.841 30.584 31.823 -0.664 0.000 0.648 281 V HN 0.465 nan 8.190 nan 0.000 0.447 282 N N -0.510 118.096 118.700 -0.156 0.000 2.149 282 N HA -0.210 4.529 4.740 -0.001 0.000 0.188 282 N C 1.731 177.163 175.510 -0.130 0.000 1.019 282 N CA 1.763 54.763 53.050 -0.085 0.000 0.857 282 N CB -0.542 37.976 38.487 0.052 0.000 0.997 282 N HN 0.681 nan 8.380 nan 0.000 0.426 283 Y N 1.716 121.908 120.300 -0.181 0.000 2.145 283 Y HA -0.091 4.458 4.550 -0.001 0.000 0.286 283 Y C 2.153 177.913 175.900 -0.233 0.000 1.145 283 Y CA 1.318 59.324 58.100 -0.158 0.000 1.148 283 Y CB -0.518 37.880 38.460 -0.104 0.000 0.981 283 Y HN -0.040 nan 8.280 nan 0.000 0.507 284 L N -0.306 120.607 121.223 -0.517 0.000 1.994 284 L HA -0.252 4.087 4.340 -0.001 0.000 0.208 284 L C 2.511 179.007 176.870 -0.624 0.000 1.071 284 L CA 1.770 56.252 54.840 -0.596 0.000 0.745 284 L CB -0.651 41.075 42.059 -0.555 0.000 0.892 284 L HN 0.270 nan 8.230 nan 0.000 0.431 285 I N -0.139 119.985 120.570 -0.744 0.000 2.226 285 I HA -0.290 3.880 4.170 -0.001 0.000 0.245 285 I C 1.858 177.713 176.117 -0.437 0.000 1.100 285 I CA 1.781 62.529 61.300 -0.919 0.000 1.374 285 I CB -0.361 37.137 38.000 -0.837 0.000 1.057 285 I HN 0.379 nan 8.210 nan 0.000 0.413 286 N N 0.014 118.516 118.700 -0.330 0.000 2.402 286 N HA -0.013 4.727 4.740 -0.001 0.000 0.174 286 N C 1.148 176.532 175.510 -0.210 0.000 1.027 286 N CA 0.865 53.798 53.050 -0.196 0.000 0.891 286 N CB 0.178 38.594 38.487 -0.118 0.000 1.016 286 N HN 0.359 nan 8.380 nan 0.000 0.439 287 N N -0.490 117.983 118.700 -0.378 0.000 2.380 287 N HA -0.017 4.722 4.740 -0.001 0.000 0.227 287 N C -0.205 175.030 175.510 -0.459 0.000 1.139 287 N CA -0.257 52.568 53.050 -0.375 0.000 0.843 287 N CB 0.345 38.665 38.487 -0.279 0.000 1.327 287 N HN -0.019 nan 8.380 nan 0.000 0.470 288 Q N 2.441 121.776 119.800 -0.775 0.000 2.310 288 Q HA -0.094 4.245 4.340 -0.001 0.000 0.315 288 Q C -0.060 175.844 176.000 -0.161 0.000 1.081 288 Q CA 0.410 55.944 55.803 -0.448 0.000 0.981 288 Q CB 0.410 28.919 28.738 -0.381 0.000 1.184 288 Q HN 0.225 nan 8.270 nan 0.000 0.389 289 Q N 2.788 122.565 119.800 -0.039 0.000 2.304 289 Q HA 0.012 4.352 4.340 -0.001 0.000 0.301 289 Q C -0.956 175.071 176.000 0.044 0.000 1.063 289 Q CA 0.739 56.554 55.803 0.020 0.000 0.947 289 Q CB 0.471 29.260 28.738 0.085 0.000 1.201 289 Q HN 0.582 nan 8.270 nan 0.000 0.389 290 K N 1.898 122.313 120.400 0.024 0.000 2.443 290 K HA 0.356 4.676 4.320 -0.001 0.000 0.251 290 K C -0.670 175.926 176.600 -0.008 0.000 0.972 290 K CA -0.750 55.553 56.287 0.026 0.000 0.833 290 K CB 1.827 34.344 32.500 0.029 0.000 1.317 290 K HN 0.782 nan 8.250 nan 0.000 0.441 291 T N -1.771 112.766 114.554 -0.029 0.000 2.828 291 T HA 0.149 4.499 4.350 -0.001 0.000 0.290 291 T C -1.903 172.791 174.700 -0.009 0.000 1.019 291 T CA -1.389 60.680 62.100 -0.051 0.000 1.031 291 T CB 0.734 69.567 68.868 -0.058 0.000 1.001 291 T HN 0.192 nan 8.240 nan 0.000 0.531 292 P HA -0.052 nan 4.420 nan 0.000 0.217 292 P C 0.948 178.283 177.300 0.058 0.000 1.148 292 P CA 1.210 64.325 63.100 0.024 0.000 0.828 292 P CB 0.040 31.753 31.700 0.021 0.000 0.783 293 K N -1.883 118.580 120.400 0.104 0.000 2.458 293 K HA 0.248 4.568 4.320 -0.001 0.000 0.194 293 K C 1.115 177.817 176.600 0.171 0.000 1.024 293 K CA 0.626 57.015 56.287 0.170 0.000 1.108 293 K CB -0.198 32.476 32.500 0.290 0.000 0.846 293 K HN 0.146 nan 8.250 nan 0.000 0.518 294 G N 1.411 110.253 108.800 0.070 0.000 2.179 294 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.220 294 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.220 294 G C -0.204 174.640 174.900 -0.093 0.000 0.990 294 G CA -0.362 44.748 45.100 0.016 0.000 0.646 294 G HN 0.218 nan 8.290 nan 0.000 0.517 295 L N 2.156 123.219 121.223 -0.266 0.000 2.367 295 L HA 0.639 4.979 4.340 -0.001 0.000 0.275 295 L C 0.814 177.581 176.870 -0.171 0.000 1.129 295 L CA -0.484 54.083 54.840 -0.455 0.000 0.839 295 L CB 0.560 41.977 42.059 -1.069 0.000 1.133 295 L HN 0.183 nan 8.230 nan 0.000 0.453 296 L N 6.010 127.185 121.223 -0.080 0.000 2.513 296 L HA -0.000 4.339 4.340 -0.001 0.000 0.272 296 L C -0.798 176.076 176.870 0.006 0.000 1.187 296 L CA 0.428 55.276 54.840 0.013 0.000 0.895 296 L CB -0.101 41.991 42.059 0.054 0.000 1.147 296 L HN 0.619 nan 8.230 nan 0.000 0.483 297 Y N 4.826 125.081 120.300 -0.076 0.000 2.587 297 Y HA 0.353 4.902 4.550 -0.001 0.000 0.328 297 Y C 0.692 176.562 175.900 -0.051 0.000 0.980 297 Y CA -0.326 57.732 58.100 -0.070 0.000 1.272 297 Y CB 0.606 39.024 38.460 -0.071 0.000 1.094 297 Y HN 0.537 nan 8.280 nan 0.000 0.503 298 I N 2.504 122.861 120.570 -0.354 0.000 2.867 298 I HA 0.110 4.279 4.170 -0.001 0.000 0.265 298 I C -0.047 175.802 176.117 -0.446 0.000 1.162 298 I CA 0.797 61.907 61.300 -0.315 0.000 1.471 298 I CB 0.397 38.217 38.000 -0.300 0.000 1.123 298 I HN 0.503 nan 8.210 nan 0.000 0.440 299 D N -1.181 118.833 120.400 -0.643 0.000 2.728 299 D HA 0.158 4.798 4.640 -0.001 0.000 0.249 299 D C 0.516 176.526 176.300 -0.484 0.000 1.225 299 D CA -0.516 53.225 54.000 -0.431 0.000 0.748 299 D CB 0.779 41.466 40.800 -0.190 0.000 1.326 299 D HN 0.054 nan 8.370 nan 0.000 0.426 300 M N -0.834 118.620 119.600 -0.242 0.000 2.319 300 M HA 0.263 4.742 4.480 -0.001 0.000 0.265 300 M C -0.091 176.048 176.300 -0.268 0.000 1.068 300 M CA 0.626 55.793 55.300 -0.221 0.000 1.118 300 M CB 0.015 32.449 32.600 -0.276 0.000 1.395 300 M HN 0.159 nan 8.290 nan 0.000 0.435 301 W N 1.895 123.217 121.300 0.038 0.000 2.322 301 W HA 0.542 5.202 4.660 -0.001 0.000 0.307 301 W C 1.071 177.623 176.519 0.055 0.000 1.220 301 W CA 0.092 57.494 57.345 0.094 0.000 1.210 301 W CB 0.804 30.359 29.460 0.159 0.000 1.223 301 W HN 0.451 nan 8.180 nan 0.000 0.511 302 G N 2.133 111.050 108.800 0.195 0.000 2.393 302 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.299 302 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.299 302 G C 0.786 175.498 174.900 -0.314 0.000 0.990 302 G CA 0.616 45.488 45.100 -0.381 0.000 1.118 302 G HN 0.596 nan 8.290 nan 0.000 0.513 303 T N 0.262 114.726 114.554 -0.150 0.000 2.665 303 T HA -0.148 4.201 4.350 -0.001 0.000 0.268 303 T C 2.604 177.198 174.700 -0.176 0.000 1.035 303 T CA 1.542 63.559 62.100 -0.140 0.000 1.151 303 T CB -0.108 68.675 68.868 -0.142 0.000 0.862 303 T HN 0.400 nan 8.240 nan 0.000 0.438 304 L N 0.682 121.755 121.223 -0.250 0.000 2.093 304 L HA -0.035 4.305 4.340 -0.001 0.000 0.208 304 L C 2.961 179.702 176.870 -0.215 0.000 1.085 304 L CA 0.927 55.628 54.840 -0.232 0.000 0.755 304 L CB -0.511 41.389 42.059 -0.264 0.000 0.904 304 L HN 0.128 nan 8.230 nan 0.000 0.435 305 R N -0.029 120.250 120.500 -0.367 0.000 2.091 305 R HA -0.204 4.135 4.340 -0.001 0.000 0.238 305 R C 2.127 178.338 176.300 -0.149 0.000 1.136 305 R CA 1.793 57.705 56.100 -0.313 0.000 0.959 305 R CB -0.582 29.339 30.300 -0.631 0.000 0.856 305 R HN 0.445 nan 8.270 nan 0.000 0.437 306 H N 0.142 119.158 119.070 -0.090 0.000 2.357 306 H HA 0.003 4.559 4.556 -0.001 0.000 0.301 306 H C 1.948 177.284 175.328 0.013 0.000 1.082 306 H CA 1.629 57.663 56.048 -0.025 0.000 1.342 306 H CB -0.248 29.471 29.762 -0.073 0.000 1.389 306 H HN 0.392 nan 8.280 nan 0.000 0.511 307 A N 1.045 123.920 122.820 0.092 0.000 1.898 307 A HA -0.039 4.280 4.320 -0.001 0.000 0.216 307 A C 2.673 180.324 177.584 0.112 0.000 1.181 307 A CA 1.597 53.675 52.037 0.070 0.000 0.620 307 A CB -0.707 18.284 19.000 -0.016 0.000 0.819 307 A HN 0.421 nan 8.150 nan 0.000 0.442 308 A N 0.198 123.085 122.820 0.112 0.000 1.930 308 A HA -0.154 4.165 4.320 -0.001 0.000 0.217 308 A C 1.886 179.605 177.584 0.224 0.000 1.175 308 A CA 1.739 53.886 52.037 0.184 0.000 0.627 308 A CB -0.572 18.570 19.000 0.236 0.000 0.815 308 A HN 0.525 nan 8.150 nan 0.000 0.443 309 N N 0.698 119.534 118.700 0.227 0.000 2.120 309 N HA -0.085 4.654 4.740 -0.001 0.000 0.188 309 N C 1.858 177.554 175.510 0.310 0.000 1.024 309 N CA 1.620 54.850 53.050 0.299 0.000 0.852 309 N CB -0.615 38.048 38.487 0.293 0.000 1.003 309 N HN 0.449 nan 8.380 nan 0.000 0.424 310 A N 0.857 123.831 122.820 0.256 0.000 1.902 310 A HA 0.009 4.329 4.320 -0.001 0.000 0.217 310 A C 2.329 180.020 177.584 0.179 0.000 1.181 310 A CA 1.948 54.124 52.037 0.232 0.000 0.623 310 A CB -0.920 18.178 19.000 0.163 0.000 0.818 310 A HN 0.312 nan 8.150 nan 0.000 0.443 311 A N -1.333 121.593 122.820 0.177 0.000 1.933 311 A HA -0.073 4.247 4.320 -0.001 0.000 0.218 311 A C 2.027 179.680 177.584 0.116 0.000 1.175 311 A CA 1.676 53.795 52.037 0.138 0.000 0.628 311 A CB -0.686 18.388 19.000 0.123 0.000 0.814 311 A HN 0.636 nan 8.150 nan 0.000 0.444 312 F N 0.602 120.566 119.950 0.023 0.000 2.186 312 F HA -0.114 4.413 4.527 -0.001 0.000 0.299 312 F C 1.950 177.741 175.800 -0.016 0.000 1.090 312 F CA 0.964 58.940 58.000 -0.041 0.000 1.307 312 F CB -0.073 38.907 39.000 -0.033 0.000 1.019 312 F HN 0.124 nan 8.300 nan 0.000 0.489 313 I N 0.057 120.645 120.570 0.030 0.000 2.286 313 I HA -0.320 3.849 4.170 -0.001 0.000 0.248 313 I C 2.377 178.470 176.117 -0.041 0.000 1.115 313 I CA 1.458 62.773 61.300 0.024 0.000 1.392 313 I CB -1.210 36.955 38.000 0.276 0.000 1.065 313 I HN 0.263 nan 8.210 nan 0.000 0.418 314 M N -0.173 119.401 119.600 -0.043 0.000 2.117 314 M HA -0.206 4.273 4.480 -0.001 0.000 0.262 314 M C 2.355 178.637 176.300 -0.029 0.000 1.065 314 M CA 1.712 56.959 55.300 -0.088 0.000 1.114 314 M CB -0.354 32.189 32.600 -0.095 0.000 1.361 314 M HN 0.154 nan 8.290 nan 0.000 0.408 315 L N -0.424 120.719 121.223 -0.134 0.000 2.093 315 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 315 L C 2.542 179.337 176.870 -0.125 0.000 1.085 315 L CA 0.913 55.649 54.840 -0.174 0.000 0.755 315 L CB -0.565 41.284 42.059 -0.350 0.000 0.904 315 L HN 0.265 nan 8.230 nan 0.000 0.435 316 E N 0.100 120.130 120.200 -0.283 0.000 2.107 316 E HA -0.140 4.210 4.350 -0.001 0.000 0.191 316 E C 2.296 178.906 176.600 0.018 0.000 0.982 316 E CA 1.205 57.498 56.400 -0.178 0.000 0.809 316 E CB -0.053 29.437 29.700 -0.349 0.000 0.756 316 E HN 0.456 nan 8.360 nan 0.000 0.459 317 A N 1.472 124.335 122.820 0.071 0.000 1.930 317 A HA -0.055 4.265 4.320 -0.001 0.000 0.217 317 A C 2.413 180.121 177.584 0.207 0.000 1.175 317 A CA 1.758 53.910 52.037 0.192 0.000 0.627 317 A CB -0.469 18.705 19.000 0.289 0.000 0.815 317 A HN 0.252 nan 8.150 nan 0.000 0.443 318 A N -0.262 122.682 122.820 0.206 0.000 1.933 318 A HA -0.154 4.166 4.320 -0.001 0.000 0.218 318 A C 1.855 179.488 177.584 0.081 0.000 1.175 318 A CA 1.663 53.781 52.037 0.135 0.000 0.628 318 A CB -0.398 18.677 19.000 0.125 0.000 0.814 318 A HN 0.458 nan 8.150 nan 0.000 0.444 319 E N 0.044 120.296 120.200 0.087 0.000 2.204 319 E HA -0.096 4.254 4.350 -0.001 0.000 0.194 319 E C 1.764 178.392 176.600 0.047 0.000 0.989 319 E CA 0.672 57.111 56.400 0.067 0.000 0.824 319 E CB -0.324 29.409 29.700 0.055 0.000 0.756 319 E HN 0.707 nan 8.360 nan 0.000 0.477 320 L N -0.557 120.702 121.223 0.060 0.000 2.478 320 L HA 0.050 4.389 4.340 -0.001 0.000 0.223 320 L C 1.427 178.319 176.870 0.036 0.000 1.140 320 L CA 0.636 55.508 54.840 0.053 0.000 0.842 320 L CB -0.147 41.959 42.059 0.078 0.000 0.953 320 L HN 0.236 nan 8.230 nan 0.000 0.452 321 G N 0.171 108.987 108.800 0.026 0.000 2.144 321 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.218 321 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.218 321 G C 0.079 174.955 174.900 -0.040 0.000 0.988 321 G CA -0.521 44.578 45.100 -0.001 0.000 0.659 321 G HN 0.169 nan 8.290 nan 0.000 0.522 322 L N 1.624 122.819 121.223 -0.047 0.000 2.283 322 L HA 0.439 4.778 4.340 -0.001 0.000 0.287 322 L C 1.160 177.733 176.870 -0.495 0.000 1.073 322 L CA -0.006 54.739 54.840 -0.159 0.000 0.822 322 L CB 1.165 43.231 42.059 0.011 0.000 1.186 322 L HN 0.230 nan 8.230 nan 0.000 0.436 323 S N 2.116 117.519 115.700 -0.495 0.000 3.311 323 S HA -0.313 4.157 4.470 -0.001 0.000 0.373 323 S C 1.648 175.982 174.600 -0.444 0.000 0.945 323 S CA 0.572 58.438 58.200 -0.558 0.000 1.238 323 S CB -0.800 61.867 63.200 -0.888 0.000 0.893 323 S HN 0.891 nan 8.310 nan 0.000 0.478 324 A N 1.338 124.038 122.820 -0.200 0.000 1.896 324 A HA -0.249 4.071 4.320 -0.001 0.000 0.220 324 A C 2.408 180.015 177.584 0.038 0.000 1.206 324 A CA 2.630 54.643 52.037 -0.039 0.000 0.647 324 A CB -1.294 17.706 19.000 0.001 0.000 0.828 324 A HN 0.813 nan 8.150 nan 0.000 0.455 325 S N -0.372 115.346 115.700 0.031 0.000 2.351 325 S HA -0.209 4.261 4.470 -0.001 0.000 0.220 325 S C 2.387 177.064 174.600 0.127 0.000 1.035 325 S CA 2.624 60.875 58.200 0.086 0.000 1.031 325 S CB -0.672 62.560 63.200 0.054 0.000 0.928 325 S HN 1.006 nan 8.310 nan 0.000 0.433 326 S N 0.008 115.768 115.700 0.101 0.000 2.382 326 S HA -0.089 4.380 4.470 -0.001 0.000 0.228 326 S C 1.841 176.645 174.600 0.339 0.000 1.027 326 S CA 1.134 59.445 58.200 0.185 0.000 0.991 326 S CB -0.920 62.367 63.200 0.145 0.000 0.823 326 S HN 0.599 nan 8.310 nan 0.000 0.469 327 Y N 2.305 122.656 120.300 0.085 0.000 2.200 327 Y HA 0.135 4.684 4.550 -0.001 0.000 0.290 327 Y C 2.771 178.733 175.900 0.103 0.000 1.137 327 Y CA 0.600 58.748 58.100 0.080 0.000 1.163 327 Y CB -0.779 37.703 38.460 0.037 0.000 0.988 327 Y HN 0.266 nan 8.280 nan 0.000 0.518 328 R N -0.120 120.531 120.500 0.251 0.000 2.092 328 R HA -0.168 4.172 4.340 -0.001 0.000 0.231 328 R C 2.199 178.617 176.300 0.196 0.000 1.119 328 R CA 1.506 57.687 56.100 0.136 0.000 0.970 328 R CB -0.290 30.071 30.300 0.102 0.000 0.864 328 R HN 0.469 nan 8.270 nan 0.000 0.440 329 Q N -0.415 119.539 119.800 0.256 0.000 2.050 329 Q HA -0.174 4.165 4.340 -0.001 0.000 0.202 329 Q C 1.831 177.941 176.000 0.183 0.000 0.980 329 Q CA 1.580 57.522 55.803 0.232 0.000 0.840 329 Q CB -0.227 28.628 28.738 0.194 0.000 0.898 329 Q HN 0.267 nan 8.270 nan 0.000 0.424 330 F N 1.109 121.120 119.950 0.101 0.000 2.134 330 F HA -0.181 4.345 4.527 -0.001 0.000 0.299 330 F C 2.203 178.027 175.800 0.040 0.000 1.097 330 F CA 1.163 59.199 58.000 0.060 0.000 1.264 330 F CB -0.244 38.772 39.000 0.027 0.000 1.001 330 F HN 0.035 nan 8.300 nan 0.000 0.479 331 A N -0.325 122.620 122.820 0.208 0.000 1.908 331 A HA -0.302 4.018 4.320 -0.001 0.000 0.218 331 A C 2.197 179.786 177.584 0.009 0.000 1.181 331 A CA 1.909 54.004 52.037 0.097 0.000 0.627 331 A CB -1.067 17.952 19.000 0.033 0.000 0.818 331 A HN 0.578 nan 8.150 nan 0.000 0.445 332 Q N -0.335 119.476 119.800 0.018 0.000 2.170 332 Q HA -0.181 4.159 4.340 -0.001 0.000 0.203 332 Q C 2.114 178.146 176.000 0.053 0.000 0.976 332 Q CA 2.261 58.087 55.803 0.038 0.000 0.858 332 Q CB -0.337 28.497 28.738 0.160 0.000 0.907 332 Q HN 0.830 nan 8.270 nan 0.000 0.433 333 T N -1.659 112.868 114.554 -0.046 0.000 2.833 333 T HA -0.140 4.209 4.350 -0.001 0.000 0.269 333 T C 1.697 176.371 174.700 -0.043 0.000 1.054 333 T CA 0.958 63.009 62.100 -0.082 0.000 1.135 333 T CB -0.067 68.621 68.868 -0.300 0.000 0.869 333 T HN 0.211 nan 8.240 nan 0.000 0.466 334 Q N 0.685 120.429 119.800 -0.093 0.000 2.049 334 Q HA 0.102 4.441 4.340 -0.001 0.000 0.198 334 Q C 2.545 178.616 176.000 0.118 0.000 0.971 334 Q CA 0.832 56.633 55.803 -0.005 0.000 0.833 334 Q CB -0.411 28.328 28.738 0.001 0.000 0.896 334 Q HN 0.473 nan 8.270 nan 0.000 0.434 335 I N 1.682 122.322 120.570 0.115 0.000 2.179 335 I HA -0.221 3.949 4.170 -0.001 0.000 0.242 335 I C 1.562 177.793 176.117 0.191 0.000 1.088 335 I CA 1.280 62.684 61.300 0.175 0.000 1.357 335 I CB -1.165 36.873 38.000 0.064 0.000 1.051 335 I HN 0.134 nan 8.210 nan 0.000 0.409 336 D N -0.229 120.293 120.400 0.203 0.000 2.178 336 D HA -0.229 4.410 4.640 -0.001 0.000 0.201 336 D C 2.067 178.472 176.300 0.176 0.000 0.980 336 D CA 0.977 55.114 54.000 0.228 0.000 0.842 336 D CB -0.337 40.682 40.800 0.365 0.000 0.948 336 D HN 0.372 nan 8.370 nan 0.000 0.472 337 Y N 1.466 121.819 120.300 0.089 0.000 2.200 337 Y HA -0.123 4.426 4.550 -0.001 0.000 0.290 337 Y C 2.249 178.230 175.900 0.136 0.000 1.137 337 Y CA 1.573 59.732 58.100 0.100 0.000 1.163 337 Y CB -0.382 38.109 38.460 0.052 0.000 0.988 337 Y HN -0.051 nan 8.280 nan 0.000 0.518 338 A N 0.211 123.243 122.820 0.353 0.000 1.972 338 A HA -0.142 4.178 4.320 -0.001 0.000 0.219 338 A C 2.143 179.803 177.584 0.127 0.000 1.169 338 A CA 1.808 54.008 52.037 0.271 0.000 0.635 338 A CB -1.077 18.004 19.000 0.135 0.000 0.810 338 A HN 0.552 nan 8.150 nan 0.000 0.446 339 L N -2.169 119.038 121.223 -0.027 0.000 2.492 339 L HA 0.178 4.518 4.340 -0.001 0.000 0.223 339 L C 1.719 178.475 176.870 -0.190 0.000 1.132 339 L CA 0.738 55.445 54.840 -0.220 0.000 0.850 339 L CB -0.085 41.497 42.059 -0.795 0.000 0.966 339 L HN 0.592 nan 8.230 nan 0.000 0.454 340 G N -1.356 107.375 108.800 -0.116 0.000 2.902 340 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.215 340 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.215 340 G C 0.340 175.242 174.900 0.003 0.000 0.976 340 G CA -0.206 44.868 45.100 -0.045 0.000 0.794 340 G HN 0.145 nan 8.290 nan 0.000 0.557 341 D N 0.977 121.409 120.400 0.053 0.000 2.378 341 D HA 0.110 4.749 4.640 -0.001 0.000 0.222 341 D C 2.204 178.433 176.300 -0.118 0.000 0.980 341 D CA 1.281 55.309 54.000 0.047 0.000 0.907 341 D CB -0.169 40.721 40.800 0.150 0.000 0.899 341 D HN 0.473 nan 8.370 nan 0.000 0.527 342 G N -1.279 107.276 108.800 -0.408 0.000 3.088 342 G HA2 0.361 4.321 3.960 -0.001 0.000 0.217 342 G HA3 0.361 4.321 3.960 -0.001 0.000 0.217 342 G C 1.168 175.951 174.900 -0.195 0.000 1.159 342 G CA 0.318 45.135 45.100 -0.472 0.000 0.760 342 G HN 0.381 nan 8.290 nan 0.000 0.550 343 G N 0.032 108.735 108.800 -0.162 0.000 2.428 343 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.199 343 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.199 343 G C 0.314 175.118 174.900 -0.161 0.000 1.005 343 G CA 0.071 45.105 45.100 -0.110 0.000 0.671 343 G HN 1.072 nan 8.290 nan 0.000 0.485 344 R N -0.521 119.808 120.500 -0.285 0.000 2.690 344 R HA 0.703 5.043 4.340 -0.001 0.000 0.269 344 R C -0.704 175.254 176.300 -0.570 0.000 1.037 344 R CA 0.051 55.921 56.100 -0.382 0.000 0.877 344 R CB 0.762 30.807 30.300 -0.426 0.000 1.255 344 R HN 0.620 nan 8.270 nan 0.000 0.467 345 S N 0.370 115.813 115.700 -0.429 0.000 2.580 345 S HA 0.357 4.826 4.470 -0.001 0.000 0.274 345 S C -0.407 173.839 174.600 -0.589 0.000 1.329 345 S CA -0.482 57.525 58.200 -0.321 0.000 1.036 345 S CB 0.203 63.358 63.200 -0.076 0.000 0.919 345 S HN 0.470 nan 8.310 nan 0.000 0.515 346 F N 2.846 122.728 119.950 -0.113 0.000 2.698 346 F HA 0.372 4.898 4.527 -0.001 0.000 0.304 346 F C -0.178 175.534 175.800 -0.147 0.000 1.108 346 F CA -0.307 57.584 58.000 -0.183 0.000 1.263 346 F CB 0.847 39.724 39.000 -0.204 0.000 1.013 346 F HN 0.257 nan 8.300 nan 0.000 0.532 347 V N 1.205 121.137 119.914 0.030 0.000 2.357 347 V HA 0.189 4.308 4.120 -0.001 0.000 0.284 347 V C 0.289 176.424 176.094 0.068 0.000 1.018 347 V CA -1.633 60.673 62.300 0.010 0.000 0.841 347 V CB 0.637 32.489 31.823 0.048 0.000 0.991 347 V HN 0.368 nan 8.190 nan 0.000 0.437 348 C N 2.852 122.168 119.300 0.027 0.000 2.634 348 C HA 0.559 5.019 4.460 -0.001 0.000 0.417 348 C C 1.689 176.742 174.990 0.105 0.000 1.334 348 C CA 0.251 59.302 59.018 0.055 0.000 1.829 348 C CB -0.772 26.990 27.740 0.037 0.000 2.665 348 C HN 1.695 nan 8.230 nan 0.000 0.614 349 G N 1.256 110.115 108.800 0.098 0.000 2.168 349 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.263 349 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.263 349 G C -0.425 174.579 174.900 0.173 0.000 0.977 349 G CA 0.661 45.831 45.100 0.118 0.000 0.659 349 G HN 1.512 nan 8.290 nan 0.000 0.533 350 F N 0.188 120.140 119.950 0.003 0.000 2.578 350 F HA 0.592 5.119 4.527 -0.001 0.000 0.311 350 F C 0.773 176.557 175.800 -0.026 0.000 1.094 350 F CA 0.872 58.873 58.000 0.001 0.000 0.923 350 F CB 1.446 40.456 39.000 0.016 0.000 1.230 350 F HN 1.326 nan 8.300 nan 0.000 0.450 351 G N 2.432 110.515 108.800 -1.196 0.000 2.645 351 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.246 351 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.246 351 G C -0.720 173.973 174.900 -0.345 0.000 1.322 351 G CA -0.298 44.305 45.100 -0.829 0.000 0.898 351 G HN 1.226 nan 8.290 nan 0.000 0.573 352 S N 0.048 115.609 115.700 -0.233 0.000 2.474 352 S HA 0.394 4.864 4.470 -0.001 0.000 0.276 352 S C 1.030 175.532 174.600 -0.162 0.000 1.227 352 S CA 1.043 59.144 58.200 -0.164 0.000 1.050 352 S CB -0.441 62.684 63.200 -0.124 0.000 0.939 352 S HN 1.698 nan 8.310 nan 0.000 0.490 353 N N 3.232 121.853 118.700 -0.130 0.000 2.688 353 N HA -0.107 4.633 4.740 -0.001 0.000 0.258 353 N C -2.427 173.001 175.510 -0.137 0.000 1.016 353 N CA -0.100 52.883 53.050 -0.113 0.000 0.747 353 N CB -0.246 38.178 38.487 -0.106 0.000 0.895 353 N HN 0.455 nan 8.380 nan 0.000 0.543 354 P HA 0.266 nan 4.420 nan 0.000 0.274 354 P C -2.700 174.584 177.300 -0.027 0.000 1.256 354 P CA -1.013 62.023 63.100 -0.107 0.000 0.795 354 P CB 0.215 31.888 31.700 -0.046 0.000 1.038 355 P HA 0.082 nan 4.420 nan 0.000 0.268 355 P C 0.733 178.090 177.300 0.095 0.000 1.204 355 P CA 0.478 63.665 63.100 0.144 0.000 0.768 355 P CB 0.012 31.836 31.700 0.205 0.000 0.842 356 T N -0.506 114.102 114.554 0.090 0.000 3.040 356 T HA 0.219 4.569 4.350 -0.001 0.000 0.266 356 T C 0.668 175.408 174.700 0.067 0.000 1.005 356 T CA -0.178 61.954 62.100 0.054 0.000 0.906 356 T CB -0.011 68.866 68.868 0.016 0.000 1.082 356 T HN 0.218 nan 8.240 nan 0.000 0.531 357 R N 2.285 122.846 120.500 0.101 0.000 2.881 357 R HA 0.331 4.670 4.340 -0.001 0.000 0.331 357 R C -2.829 173.585 176.300 0.189 0.000 1.207 357 R CA -1.777 54.389 56.100 0.111 0.000 1.265 357 R CB 0.679 31.013 30.300 0.058 0.000 1.351 357 R HN 0.362 nan 8.270 nan 0.000 0.613 358 P HA -0.107 nan 4.420 nan 0.000 0.269 358 P C -0.551 176.984 177.300 0.391 0.000 1.209 358 P CA 0.027 63.296 63.100 0.281 0.000 0.776 358 P CB 0.681 32.504 31.700 0.205 0.000 0.876 359 H N 2.489 121.777 119.070 0.363 0.000 3.356 359 H HA 0.097 4.652 4.556 -0.001 0.000 0.260 359 H C -0.355 175.253 175.328 0.467 0.000 1.570 359 H CA 0.599 56.934 56.048 0.478 0.000 1.547 359 H CB -1.173 28.853 29.762 0.440 0.000 1.774 359 H HN 0.316 nan 8.280 nan 0.000 0.542 360 H N 4.001 123.193 119.070 0.203 0.000 3.017 360 H HA 0.182 4.738 4.556 -0.001 0.000 0.340 360 H C 0.409 175.634 175.328 -0.172 0.000 1.014 360 H CA -0.570 55.477 56.048 -0.001 0.000 1.341 360 H CB 0.894 30.745 29.762 0.149 0.000 1.739 360 H HN 0.629 nan 8.280 nan 0.000 0.506 361 R N 1.236 121.157 120.500 -0.965 0.000 2.070 361 R HA -0.140 4.200 4.340 -0.001 0.000 0.232 361 R C 2.251 178.316 176.300 -0.392 0.000 1.138 361 R CA 2.026 57.412 56.100 -1.190 0.000 0.936 361 R CB -0.108 29.226 30.300 -1.611 0.000 0.839 361 R HN 0.610 nan 8.270 nan 0.000 0.429 362 S N 0.725 116.321 115.700 -0.173 0.000 2.383 362 S HA -0.176 4.293 4.470 -0.001 0.000 0.229 362 S C 2.092 176.933 174.600 0.402 0.000 1.030 362 S CA 1.605 59.958 58.200 0.256 0.000 1.002 362 S CB -0.448 63.021 63.200 0.448 0.000 0.829 362 S HN 0.411 nan 8.310 nan 0.000 0.467 363 S N 1.987 117.982 115.700 0.491 0.000 2.489 363 S HA -0.028 4.442 4.470 -0.001 0.000 0.228 363 S C 1.953 176.633 174.600 0.133 0.000 0.995 363 S CA 0.865 59.151 58.200 0.144 0.000 0.934 363 S CB -0.775 62.582 63.200 0.261 0.000 0.771 363 S HN 0.811 nan 8.310 nan 0.000 0.522 364 S N 0.050 115.877 115.700 0.211 0.000 2.489 364 S HA 0.137 4.606 4.470 -0.001 0.000 0.228 364 S C 0.827 175.503 174.600 0.127 0.000 0.995 364 S CA -0.144 58.181 58.200 0.207 0.000 0.934 364 S CB -1.078 62.367 63.200 0.408 0.000 0.771 364 S HN 0.564 nan 8.310 nan 0.000 0.522 365 c N 4.859 123.515 118.600 0.093 0.000 2.527 365 c HA 0.537 5.107 4.570 -0.001 0.000 0.396 365 c C -1.591 172.338 174.090 -0.268 0.000 1.289 365 c CA -1.589 54.734 56.329 -0.010 0.000 2.047 365 c CB 0.593 43.129 42.510 0.043 0.000 2.568 365 c HN 0.471 nan 8.230 nan 0.000 0.573 366 P HA 0.309 nan 4.420 nan 0.000 0.277 366 P C -2.668 174.342 177.300 -0.483 0.000 1.271 366 P CA -1.221 61.243 63.100 -1.059 0.000 0.795 366 P CB -0.060 31.228 31.700 -0.686 0.000 1.101 367 P HA 0.142 nan 4.420 nan 0.000 0.274 367 P C -0.265 177.001 177.300 -0.058 0.000 1.231 367 P CA -0.101 62.953 63.100 -0.077 0.000 0.790 367 P CB 0.371 32.081 31.700 0.016 0.000 0.951 368 A N 3.908 126.726 122.820 -0.002 0.000 2.448 368 A HA 0.247 4.567 4.320 -0.001 0.000 0.239 368 A C -0.858 176.727 177.584 0.001 0.000 1.080 368 A CA -0.707 51.330 52.037 0.000 0.000 0.779 368 A CB -1.204 17.805 19.000 0.015 0.000 1.026 368 A HN 0.539 nan 8.150 nan 0.000 0.499 369 P HA 0.173 nan 4.420 nan 0.000 0.253 369 P C 0.349 177.649 177.300 -0.001 0.000 1.260 369 P CA 0.648 63.751 63.100 0.004 0.000 0.800 369 P CB -0.283 31.422 31.700 0.009 0.000 1.162 370 A N 1.273 124.082 122.820 -0.017 0.000 2.498 370 A HA 0.318 4.637 4.320 -0.001 0.000 0.239 370 A C 0.833 178.408 177.584 -0.015 0.000 1.068 370 A CA 0.059 52.082 52.037 -0.023 0.000 0.766 370 A CB -0.368 18.599 19.000 -0.056 0.000 1.003 370 A HN 0.349 nan 8.150 nan 0.000 0.497 371 T N -0.612 113.943 114.554 0.001 0.000 2.919 371 T HA 0.345 4.695 4.350 -0.001 0.000 0.302 371 T C -0.097 174.608 174.700 0.008 0.000 1.031 371 T CA -0.433 61.677 62.100 0.016 0.000 1.127 371 T CB 0.591 69.478 68.868 0.032 0.000 0.952 371 T HN 0.873 nan 8.240 nan 0.000 0.540 372 c N 5.207 123.815 118.600 0.014 0.000 2.346 372 c HA 0.748 5.318 4.570 -0.001 0.000 0.326 372 c C -0.749 173.333 174.090 -0.013 0.000 1.224 372 c CA -0.286 56.047 56.329 0.006 0.000 1.408 372 c CB -0.454 42.049 42.510 -0.011 0.000 2.089 372 c HN 1.171 nan 8.230 nan 0.000 0.456 373 D N 2.336 122.746 120.400 0.016 0.000 3.057 373 D HA 0.260 4.900 4.640 -0.001 0.000 0.328 373 D C 0.320 176.613 176.300 -0.011 0.000 1.317 373 D CA -0.610 53.373 54.000 -0.027 0.000 0.973 373 D CB -0.019 40.826 40.800 0.075 0.000 1.424 373 D HN 0.435 nan 8.370 nan 0.000 0.569 374 W N -0.003 121.336 121.300 0.064 0.000 2.525 374 W HA 0.100 4.760 4.660 -0.001 0.000 0.259 374 W C 1.535 178.054 176.519 0.001 0.000 1.253 374 W CA 0.755 58.096 57.345 -0.007 0.000 1.262 374 W CB -0.581 28.874 29.460 -0.010 0.000 1.122 374 W HN 0.377 nan 8.180 nan 0.000 0.607 375 N N -0.991 117.821 118.700 0.186 0.000 2.331 375 N HA -0.122 4.618 4.740 -0.001 0.000 0.180 375 N C 1.563 177.100 175.510 0.044 0.000 1.019 375 N CA 1.820 54.936 53.050 0.109 0.000 0.881 375 N CB -0.376 38.161 38.487 0.084 0.000 0.972 375 N HN -0.045 nan 8.380 nan 0.000 0.435 376 T N 0.240 114.817 114.554 0.037 0.000 2.777 376 T HA -0.105 4.244 4.350 -0.001 0.000 0.266 376 T C 1.504 176.165 174.700 -0.065 0.000 1.040 376 T CA 0.670 62.786 62.100 0.027 0.000 1.141 376 T CB -0.416 68.519 68.868 0.112 0.000 0.868 376 T HN 0.250 nan 8.240 nan 0.000 0.444 377 F N 2.894 122.559 119.950 -0.475 0.000 2.161 377 F HA -0.074 4.452 4.527 -0.001 0.000 0.300 377 F C 1.806 177.388 175.800 -0.364 0.000 1.089 377 F CA 1.112 58.597 58.000 -0.857 0.000 1.282 377 F CB -0.442 37.596 39.000 -1.603 0.000 1.010 377 F HN 0.041 nan 8.300 nan 0.000 0.485 378 N N 0.239 118.793 118.700 -0.243 0.000 2.521 378 N HA -0.047 4.693 4.740 -0.001 0.000 0.188 378 N C 0.196 175.593 175.510 -0.188 0.000 1.146 378 N CA 0.369 53.284 53.050 -0.225 0.000 0.893 378 N CB -0.247 38.246 38.487 0.009 0.000 0.975 378 N HN 0.188 nan 8.380 nan 0.000 0.451 379 S N 0.104 115.705 115.700 -0.165 0.000 2.549 379 S HA 0.149 4.618 4.470 -0.001 0.000 0.283 379 S C -1.508 173.020 174.600 -0.119 0.000 1.320 379 S CA -1.171 56.967 58.200 -0.102 0.000 1.058 379 S CB 0.823 63.989 63.200 -0.057 0.000 0.882 379 S HN 0.128 nan 8.310 nan 0.000 0.498 380 P HA 0.105 nan 4.420 nan 0.000 0.225 380 P C -0.523 176.737 177.300 -0.067 0.000 1.156 380 P CA 0.505 63.558 63.100 -0.079 0.000 0.787 380 P CB 0.061 31.725 31.700 -0.059 0.000 0.802 381 D N 0.628 120.996 120.400 -0.054 0.000 2.344 381 D HA 0.134 4.773 4.640 -0.001 0.000 0.244 381 D C -1.975 174.299 176.300 -0.042 0.000 1.134 381 D CA -1.756 52.218 54.000 -0.044 0.000 0.930 381 D CB -0.479 40.302 40.800 -0.032 0.000 1.175 381 D HN 0.123 nan 8.370 nan 0.000 0.437 382 P HA 0.048 nan 4.420 nan 0.000 0.272 382 P C -0.389 176.900 177.300 -0.018 0.000 1.240 382 P CA -0.504 62.579 63.100 -0.028 0.000 0.791 382 P CB 0.515 32.192 31.700 -0.038 0.000 0.978 383 N N 0.430 119.138 118.700 0.014 0.000 2.357 383 N HA -0.105 4.635 4.740 -0.001 0.000 0.257 383 N C 0.992 176.484 175.510 -0.030 0.000 1.250 383 N CA 0.200 53.273 53.050 0.039 0.000 0.862 383 N CB -0.498 38.040 38.487 0.084 0.000 1.066 383 N HN 0.459 nan 8.380 nan 0.000 0.468 384 Y N 2.750 122.939 120.300 -0.186 0.000 2.102 384 Y HA -0.230 4.319 4.550 -0.001 0.000 0.280 384 Y C 0.594 176.212 175.900 -0.470 0.000 1.178 384 Y CA 1.803 59.696 58.100 -0.345 0.000 1.146 384 Y CB 0.079 38.256 38.460 -0.471 0.000 0.968 384 Y HN 0.574 nan 8.280 nan 0.000 0.504 385 H N -0.509 118.473 119.070 -0.147 0.000 2.458 385 H HA 0.333 4.888 4.556 -0.001 0.000 0.330 385 H C -0.445 174.712 175.328 -0.284 0.000 1.111 385 H CA -0.780 54.997 56.048 -0.452 0.000 1.245 385 H CB 1.328 30.288 29.762 -1.337 0.000 1.456 385 H HN -0.182 nan 8.280 nan 0.000 0.488 386 V N 4.321 124.213 119.914 -0.036 0.000 2.508 386 V HA -0.085 4.035 4.120 -0.001 0.000 0.281 386 V C 0.749 176.936 176.094 0.155 0.000 1.041 386 V CA -0.352 61.977 62.300 0.047 0.000 1.016 386 V CB 0.843 32.703 31.823 0.062 0.000 0.984 386 V HN 0.437 nan 8.190 nan 0.000 0.478 387 L N 6.214 127.525 121.223 0.147 0.000 2.583 387 L HA 0.304 4.644 4.340 -0.001 0.000 0.239 387 L C 0.876 177.866 176.870 0.200 0.000 1.347 387 L CA 0.486 55.459 54.840 0.220 0.000 1.246 387 L CB -0.408 41.695 42.059 0.074 0.000 1.496 387 L HN 0.706 nan 8.230 nan 0.000 0.413 388 S N 1.840 117.679 115.700 0.231 0.000 2.702 388 S HA 0.302 4.771 4.470 -0.001 0.000 0.314 388 S C 1.417 176.130 174.600 0.187 0.000 1.244 388 S CA 0.673 58.991 58.200 0.196 0.000 1.058 388 S CB 0.014 63.337 63.200 0.204 0.000 0.783 388 S HN 0.999 nan 8.310 nan 0.000 0.503 389 G N 1.856 110.738 108.800 0.136 0.000 2.241 389 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.244 389 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.244 389 G C 0.218 175.071 174.900 -0.079 0.000 0.998 389 G CA -0.092 45.073 45.100 0.108 0.000 0.621 389 G HN 1.355 nan 8.290 nan 0.000 0.519 390 A N 0.406 123.063 122.820 -0.273 0.000 2.454 390 A HA 0.638 4.957 4.320 -0.001 0.000 0.260 390 A C 0.216 177.527 177.584 -0.456 0.000 1.106 390 A CA 0.316 51.879 52.037 -0.790 0.000 0.780 390 A CB 0.643 19.175 19.000 -0.779 0.000 1.044 390 A HN 1.467 nan 8.150 nan 0.000 0.498 391 L N 5.325 126.235 121.223 -0.521 0.000 2.260 391 L HA 0.483 4.823 4.340 -0.001 0.000 0.289 391 L C 0.346 177.135 176.870 -0.135 0.000 1.057 391 L CA -0.088 54.509 54.840 -0.404 0.000 0.811 391 L CB 0.898 42.554 42.059 -0.671 0.000 1.184 391 L HN 0.684 nan 8.230 nan 0.000 0.429 392 V N 3.086 122.984 119.914 -0.028 0.000 3.336 392 V HA 0.584 4.703 4.120 -0.001 0.000 0.304 392 V C 1.425 177.582 176.094 0.106 0.000 1.073 392 V CA 0.290 62.674 62.300 0.140 0.000 1.074 392 V CB 0.286 32.232 31.823 0.205 0.000 1.161 392 V HN 0.805 nan 8.190 nan 0.000 0.460 393 G N 0.046 108.987 108.800 0.236 0.000 2.491 393 G HA2 0.336 4.295 3.960 -0.001 0.000 0.218 393 G HA3 0.336 4.295 3.960 -0.001 0.000 0.218 393 G C 1.006 175.884 174.900 -0.037 0.000 1.180 393 G CA 1.191 46.352 45.100 0.101 0.000 0.774 393 G HN 2.189 nan 8.290 nan 0.000 0.562 394 G N -0.878 107.933 108.800 0.019 0.000 2.422 394 G HA2 0.128 4.087 3.960 -0.001 0.000 0.607 394 G HA3 0.128 4.087 3.960 -0.001 0.000 0.607 394 G C -3.009 171.840 174.900 -0.084 0.000 1.270 394 G CA -0.243 44.663 45.100 -0.323 0.000 0.992 394 G HN 0.454 nan 8.290 nan 0.000 0.499 395 P HA 0.365 nan 4.420 nan 0.000 0.276 395 P C -0.472 176.882 177.300 0.090 0.000 1.261 395 P CA 0.211 63.285 63.100 -0.045 0.000 0.800 395 P CB 0.680 32.350 31.700 -0.051 0.000 1.066 396 D N -0.933 119.505 120.400 0.064 0.000 2.447 396 D HA -0.012 4.628 4.640 -0.001 0.000 0.265 396 D C 1.385 177.655 176.300 -0.050 0.000 1.250 396 D CA -0.326 53.743 54.000 0.115 0.000 1.046 396 D CB -0.369 40.452 40.800 0.035 0.000 1.095 396 D HN 0.469 nan 8.370 nan 0.000 0.555 397 Q N -1.239 118.323 119.800 -0.396 0.000 2.443 397 Q HA -0.130 4.209 4.340 -0.001 0.000 0.213 397 Q C 0.058 175.875 176.000 -0.305 0.000 0.982 397 Q CA 1.042 56.397 55.803 -0.747 0.000 0.894 397 Q CB -0.442 27.672 28.738 -1.041 0.000 0.947 397 Q HN 0.308 nan 8.270 nan 0.000 0.480 398 N N 0.800 119.405 118.700 -0.158 0.000 2.282 398 N HA 0.044 4.784 4.740 -0.001 0.000 0.240 398 N C -0.862 174.650 175.510 0.003 0.000 1.182 398 N CA 0.204 53.211 53.050 -0.071 0.000 0.874 398 N CB 0.790 39.239 38.487 -0.063 0.000 1.126 398 N HN 0.200 nan 8.380 nan 0.000 0.516 399 D N 0.079 120.501 120.400 0.037 0.000 3.076 399 D HA -0.174 4.466 4.640 -0.001 0.000 0.218 399 D C -0.397 175.993 176.300 0.150 0.000 1.156 399 D CA 0.847 54.934 54.000 0.145 0.000 0.921 399 D CB -1.676 39.239 40.800 0.192 0.000 1.113 399 D HN 0.492 nan 8.370 nan 0.000 0.418 400 N N -0.131 118.617 118.700 0.079 0.000 2.518 400 N HA 0.467 5.207 4.740 -0.001 0.000 0.283 400 N C -0.597 174.971 175.510 0.098 0.000 1.119 400 N CA -0.283 52.808 53.050 0.068 0.000 0.983 400 N CB 1.050 39.534 38.487 -0.005 0.000 1.139 400 N HN 0.149 nan 8.380 nan 0.000 0.465 401 Y N 0.982 121.261 120.300 -0.035 0.000 2.521 401 Y HA 0.417 4.966 4.550 -0.001 0.000 0.328 401 Y C -2.017 173.869 175.900 -0.023 0.000 1.151 401 Y CA -0.728 57.340 58.100 -0.053 0.000 1.054 401 Y CB 1.047 39.621 38.460 0.189 0.000 1.338 401 Y HN 0.207 nan 8.280 nan 0.000 0.453 402 V N 4.638 124.014 119.914 -0.897 0.000 2.577 402 V HA 0.243 4.363 4.120 -0.001 0.000 0.303 402 V C -1.100 174.436 176.094 -0.929 0.000 1.042 402 V CA -0.880 61.015 62.300 -0.674 0.000 0.872 402 V CB 1.780 33.408 31.823 -0.326 0.000 0.998 402 V HN 0.769 nan 8.190 nan 0.000 0.423 403 D N 3.662 123.704 120.400 -0.597 0.000 2.367 403 D HA 0.247 4.886 4.640 -0.001 0.000 0.255 403 D C -0.702 175.523 176.300 -0.125 0.000 1.300 403 D CA 0.406 54.262 54.000 -0.241 0.000 0.959 403 D CB 0.413 41.227 40.800 0.024 0.000 1.064 403 D HN 0.594 nan 8.370 nan 0.000 0.509 404 D N 2.440 122.790 120.400 -0.082 0.000 2.696 404 D HA 0.162 4.801 4.640 -0.001 0.000 0.251 404 D C 0.799 177.126 176.300 0.045 0.000 1.188 404 D CA -0.657 53.317 54.000 -0.043 0.000 0.876 404 D CB 1.250 42.006 40.800 -0.073 0.000 1.334 404 D HN 0.271 nan 8.370 nan 0.000 0.540 405 R N 1.913 122.422 120.500 0.016 0.000 2.120 405 R HA -0.118 4.221 4.340 -0.001 0.000 0.234 405 R C 1.474 177.945 176.300 0.284 0.000 1.123 405 R CA 1.867 58.030 56.100 0.104 0.000 0.975 405 R CB 0.100 30.335 30.300 -0.108 0.000 0.866 405 R HN 0.457 nan 8.270 nan 0.000 0.446 406 S N -0.527 115.242 115.700 0.116 0.000 2.522 406 S HA -0.067 4.402 4.470 -0.001 0.000 0.227 406 S C 0.607 175.285 174.600 0.129 0.000 0.986 406 S CA 0.188 58.568 58.200 0.300 0.000 0.929 406 S CB 0.134 63.431 63.200 0.161 0.000 0.769 406 S HN 0.169 nan 8.310 nan 0.000 0.529 407 D N 2.162 122.591 120.400 0.048 0.000 2.455 407 D HA 0.066 4.705 4.640 -0.001 0.000 0.234 407 D C 0.239 176.510 176.300 -0.048 0.000 1.224 407 D CA -0.540 53.406 54.000 -0.091 0.000 0.999 407 D CB 0.042 40.852 40.800 0.017 0.000 1.072 407 D HN 0.587 nan 8.370 nan 0.000 0.514 408 Y N 1.587 121.867 120.300 -0.033 0.000 2.519 408 Y HA 0.149 4.699 4.550 -0.001 0.000 0.311 408 Y C 1.135 177.105 175.900 0.117 0.000 1.207 408 Y CA -0.401 57.641 58.100 -0.097 0.000 1.289 408 Y CB -0.499 37.789 38.460 -0.287 0.000 1.059 408 Y HN 0.094 nan 8.280 nan 0.000 0.507 409 V N -0.036 119.903 119.914 0.042 0.000 2.602 409 V HA -0.094 4.026 4.120 -0.001 0.000 0.235 409 V C 2.225 178.264 176.094 -0.091 0.000 1.087 409 V CA 1.165 63.396 62.300 -0.115 0.000 1.117 409 V CB -0.414 31.011 31.823 -0.664 0.000 0.820 409 V HN 0.365 nan 8.190 nan 0.000 0.490 410 H N 0.081 119.221 119.070 0.117 0.000 2.470 410 H HA 0.088 4.643 4.556 -0.001 0.000 0.289 410 H C 1.083 176.611 175.328 0.335 0.000 1.033 410 H CA 1.116 57.297 56.048 0.222 0.000 1.331 410 H CB 0.087 29.992 29.762 0.239 0.000 1.414 410 H HN 0.319 nan 8.280 nan 0.000 0.545 411 N N 0.797 119.730 118.700 0.389 0.000 2.238 411 N HA 0.003 4.743 4.740 -0.001 0.000 0.222 411 N C 0.117 175.859 175.510 0.387 0.000 1.133 411 N CA -0.023 53.263 53.050 0.393 0.000 0.854 411 N CB 0.706 39.407 38.487 0.356 0.000 1.041 411 N HN 0.429 nan 8.380 nan 0.000 0.510 412 E N 0.720 121.154 120.200 0.389 0.000 2.383 412 E HA 0.257 4.607 4.350 -0.001 0.000 0.264 412 E C -0.537 176.256 176.600 0.320 0.000 1.050 412 E CA -0.401 56.223 56.400 0.374 0.000 0.896 412 E CB 0.824 30.763 29.700 0.400 0.000 0.982 412 E HN -0.006 nan 8.360 nan 0.000 0.424 413 V N -0.315 119.688 119.914 0.149 0.000 2.925 413 V HA 0.976 5.096 4.120 -0.001 0.000 0.311 413 V C -0.826 175.199 176.094 -0.115 0.000 1.104 413 V CA -0.445 61.868 62.300 0.022 0.000 0.954 413 V CB 1.249 33.113 31.823 0.068 0.000 1.022 413 V HN 0.852 nan 8.190 nan 0.000 0.427 414 A N 1.817 124.530 122.820 -0.179 0.000 2.608 414 A HA 0.735 5.054 4.320 -0.001 0.000 0.292 414 A C 0.649 178.392 177.584 0.264 0.000 1.066 414 A CA 0.089 52.111 52.037 -0.025 0.000 0.676 414 A CB 1.117 19.875 19.000 -0.403 0.000 1.277 414 A HN 1.973 nan 8.150 nan 0.000 0.413 415 T N -1.365 113.357 114.554 0.280 0.000 2.788 415 T HA -0.195 4.155 4.350 -0.001 0.000 0.268 415 T C 1.230 176.197 174.700 0.446 0.000 1.044 415 T CA 2.219 64.528 62.100 0.348 0.000 1.139 415 T CB -0.592 68.415 68.868 0.231 0.000 0.867 415 T HN 0.823 nan 8.240 nan 0.000 0.454 416 D N -0.207 120.430 120.400 0.396 0.000 2.219 416 D HA -0.185 4.455 4.640 -0.001 0.000 0.205 416 D C 1.678 178.342 176.300 0.607 0.000 0.970 416 D CA 0.768 55.102 54.000 0.556 0.000 0.851 416 D CB -0.467 40.660 40.800 0.545 0.000 0.943 416 D HN 0.377 nan 8.370 nan 0.000 0.488 417 Y N 1.337 121.802 120.300 0.275 0.000 2.224 417 Y HA -0.074 4.475 4.550 -0.001 0.000 0.289 417 Y C 1.887 177.871 175.900 0.139 0.000 1.146 417 Y CA 0.959 59.149 58.100 0.150 0.000 1.182 417 Y CB -0.819 37.668 38.460 0.046 0.000 0.983 417 Y HN 0.042 nan 8.280 nan 0.000 0.524 418 N N -0.817 118.113 118.700 0.384 0.000 2.353 418 N HA 0.103 4.843 4.740 -0.001 0.000 0.185 418 N C 1.750 177.569 175.510 0.515 0.000 1.098 418 N CA 0.611 53.898 53.050 0.395 0.000 0.872 418 N CB -0.046 38.597 38.487 0.260 0.000 0.970 418 N HN 0.237 nan 8.380 nan 0.000 0.467 419 A N 0.355 123.455 122.820 0.466 0.000 1.835 419 A HA 0.008 4.328 4.320 -0.001 0.000 0.215 419 A C 2.299 179.949 177.584 0.110 0.000 1.199 419 A CA 1.826 54.029 52.037 0.276 0.000 0.615 419 A CB -1.327 17.773 19.000 0.168 0.000 0.838 419 A HN 0.316 nan 8.150 nan 0.000 0.444 420 G N -1.388 107.503 108.800 0.152 0.000 2.418 420 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.217 420 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.217 420 G C 1.465 176.389 174.900 0.041 0.000 1.158 420 G CA 1.201 46.315 45.100 0.024 0.000 0.771 420 G HN 0.458 nan 8.290 nan 0.000 0.545 421 F N 1.271 121.232 119.950 0.018 0.000 2.069 421 F HA -0.162 4.365 4.527 -0.001 0.000 0.298 421 F C 2.757 178.536 175.800 -0.035 0.000 1.113 421 F CA 2.349 60.350 58.000 0.002 0.000 1.214 421 F CB -0.507 38.507 39.000 0.024 0.000 0.978 421 F HN 0.284 nan 8.300 nan 0.000 0.474 422 Q N -0.335 119.439 119.800 -0.044 0.000 2.084 422 Q HA -0.169 4.170 4.340 -0.001 0.000 0.202 422 Q C 2.261 178.124 176.000 -0.228 0.000 0.978 422 Q CA 1.994 57.696 55.803 -0.167 0.000 0.844 422 Q CB -0.205 28.610 28.738 0.128 0.000 0.898 422 Q HN 0.444 nan 8.270 nan 0.000 0.426 423 S N 0.211 115.765 115.700 -0.244 0.000 2.402 423 S HA -0.099 4.370 4.470 -0.001 0.000 0.229 423 S C 1.894 176.335 174.600 -0.265 0.000 1.021 423 S CA 0.848 58.844 58.200 -0.339 0.000 0.974 423 S CB -0.215 62.433 63.200 -0.921 0.000 0.800 423 S HN 0.558 nan 8.310 nan 0.000 0.484 424 A N 1.390 124.076 122.820 -0.223 0.000 1.930 424 A HA 0.042 4.361 4.320 -0.001 0.000 0.217 424 A C 2.071 179.443 177.584 -0.354 0.000 1.175 424 A CA 0.985 52.947 52.037 -0.125 0.000 0.627 424 A CB -0.633 18.343 19.000 -0.041 0.000 0.815 424 A HN 0.445 nan 8.150 nan 0.000 0.443 425 L N -0.766 120.199 121.223 -0.429 0.000 2.046 425 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 425 L C 3.089 179.719 176.870 -0.400 0.000 1.077 425 L CA 1.046 55.611 54.840 -0.459 0.000 0.747 425 L CB -0.505 41.246 42.059 -0.513 0.000 0.896 425 L HN 0.433 nan 8.230 nan 0.000 0.432 426 A N -0.045 122.541 122.820 -0.390 0.000 1.933 426 A HA -0.172 4.147 4.320 -0.001 0.000 0.218 426 A C 2.521 179.926 177.584 -0.297 0.000 1.175 426 A CA 1.733 53.564 52.037 -0.344 0.000 0.628 426 A CB -0.666 18.172 19.000 -0.270 0.000 0.814 426 A HN 0.407 nan 8.150 nan 0.000 0.444 427 A N -0.232 122.243 122.820 -0.574 0.000 1.898 427 A HA -0.014 4.305 4.320 -0.001 0.000 0.216 427 A C 2.155 179.366 177.584 -0.621 0.000 1.181 427 A CA 1.427 52.832 52.037 -1.054 0.000 0.620 427 A CB -0.599 17.413 19.000 -1.647 0.000 0.819 427 A HN 0.466 nan 8.150 nan 0.000 0.442 428 L N -0.448 120.424 121.223 -0.584 0.000 2.083 428 L HA -0.166 4.174 4.340 -0.001 0.000 0.209 428 L C 2.499 179.177 176.870 -0.321 0.000 1.083 428 L CA 1.045 55.519 54.840 -0.611 0.000 0.752 428 L CB -0.538 41.018 42.059 -0.838 0.000 0.899 428 L HN 0.255 nan 8.230 nan 0.000 0.433 429 V N -0.037 119.752 119.914 -0.208 0.000 2.358 429 V HA -0.243 3.877 4.120 -0.001 0.000 0.246 429 V C 2.740 178.832 176.094 -0.004 0.000 1.047 429 V CA 1.696 63.974 62.300 -0.035 0.000 1.035 429 V CB -0.841 30.957 31.823 -0.042 0.000 0.658 429 V HN 0.469 nan 8.190 nan 0.000 0.452 430 A N -0.238 122.564 122.820 -0.029 0.000 1.972 430 A HA -0.121 4.199 4.320 -0.001 0.000 0.219 430 A C 2.099 179.717 177.584 0.057 0.000 1.169 430 A CA 1.570 53.644 52.037 0.062 0.000 0.635 430 A CB -0.511 18.600 19.000 0.185 0.000 0.810 430 A HN 0.536 nan 8.150 nan 0.000 0.446 431 L N -1.211 119.994 121.223 -0.031 0.000 2.599 431 L HA 0.155 4.494 4.340 -0.001 0.000 0.230 431 L C 1.641 178.652 176.870 0.235 0.000 1.141 431 L CA 0.509 55.359 54.840 0.017 0.000 0.877 431 L CB -0.281 41.581 42.059 -0.328 0.000 1.009 431 L HN 0.581 nan 8.230 nan 0.000 0.447 432 G N -1.415 107.505 108.800 0.200 0.000 2.147 432 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.244 432 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.244 432 G C 0.041 175.141 174.900 0.332 0.000 1.005 432 G CA -0.253 44.985 45.100 0.229 0.000 0.713 432 G HN 0.139 nan 8.290 nan 0.000 0.515 433 Y N 0.000 120.341 120.300 0.068 0.000 2.660 433 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 433 Y CA 0.000 58.180 58.100 0.134 0.000 1.940 433 Y CB 0.000 38.476 38.460 0.027 0.000 1.050 433 Y HN 0.000 nan 8.280 nan 0.000 0.758