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 3n6w_1_A DATA FIRST_RESID 0 DATA SEQUENCE SMACTIQKAE ALDGAHLMQI LWYDEEESLY PAVWLRDNCP CSDCYLDSAK DATA SEQUENCE ARKLLVEALD VNIGIKGLIF DRKKVYITWP DEHYSEFQAD WLKKRCFSKQ DATA SEQUENCE ARAKLQRELF FPECQYWGSE LQLPTLDFED VLRYDEHAYK WLSTLKKVGI DATA SEQUENCE VRLTGASDKP GEVSKLGKRM GFLYLTFYGH TWQVQDKXXX XXXXXXXXXL DATA SEQUENCE SFHTDYPALH HPPGVQLLHC IKQXXXXXDS EIVDGFNVCQ KLKKNNPQAF DATA SEQUENCE QILSSTFVDF TDIGVDYCDF SVQSKHKIIE LDDKGQVVRI NFNNATRDTI DATA SEQUENCE FDVPVERVQP FYAALKEFVD LMNSKESKFT FKMNPGDVIT FDNWRLLHGR DATA SEQUENCE RXXXXXXXXX RHLEGAYADW DVVMSRLRIL RQRVEN 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.622 174.600 0.037 0.000 1.055 0 S CA 0.000 58.206 58.200 0.010 0.000 1.107 0 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 1 M N 3.962 123.587 119.600 0.042 0.000 2.175 1 M HA 0.201 4.681 4.480 0.001 0.000 0.264 1 M C 2.052 178.442 176.300 0.150 0.000 1.063 1 M CA 2.399 57.763 55.300 0.108 0.000 1.119 1 M CB -0.543 32.114 32.600 0.095 0.000 1.377 1 M HN 0.867 nan 8.290 nan 0.000 0.415 2 A N -1.642 121.199 122.820 0.036 0.000 2.015 2 A HA -0.142 4.178 4.320 0.001 0.000 0.219 2 A C 1.914 179.359 177.584 -0.231 0.000 1.163 2 A CA 1.615 53.604 52.037 -0.080 0.000 0.646 2 A CB -0.943 17.969 19.000 -0.146 0.000 0.806 2 A HN 0.629 nan 8.150 nan 0.000 0.448 3 C N 0.053 119.299 119.300 -0.090 0.000 2.974 3 C HA 0.297 4.757 4.460 0.001 0.000 0.282 3 C C 0.995 176.136 174.990 0.251 0.000 1.292 3 C CA 0.186 59.136 59.018 -0.114 0.000 1.710 3 C CB -1.392 26.301 27.740 -0.079 0.000 2.036 3 C HN 0.635 nan 8.230 nan 0.000 0.629 4 T N -1.102 113.703 114.554 0.419 0.000 2.855 4 T HA 0.703 5.054 4.350 0.001 0.000 0.281 4 T C -0.592 174.506 174.700 0.663 0.000 1.007 4 T CA -0.347 62.055 62.100 0.504 0.000 1.009 4 T CB 1.381 70.457 68.868 0.347 0.000 0.983 4 T HN 0.171 nan 8.240 nan 0.000 0.455 5 I N 3.035 123.878 120.570 0.455 0.000 2.337 5 I HA 0.191 4.362 4.170 0.001 0.000 0.291 5 I C 1.696 177.871 176.117 0.098 0.000 1.046 5 I CA -0.446 60.929 61.300 0.126 0.000 1.324 5 I CB 1.216 39.215 38.000 -0.000 0.000 1.409 5 I HN 0.831 nan 8.210 nan 0.000 0.494 6 Q N 5.938 125.575 119.800 -0.272 0.000 2.163 6 Q HA 0.069 4.410 4.340 0.001 0.000 0.198 6 Q C 0.388 176.221 176.000 -0.279 0.000 0.954 6 Q CA 1.130 56.590 55.803 -0.572 0.000 0.851 6 Q CB 0.598 28.773 28.738 -0.938 0.000 0.928 6 Q HN 0.570 nan 8.270 nan 0.000 0.459 7 K N -0.864 119.240 120.400 -0.493 0.000 2.557 7 K HA 0.582 4.902 4.320 0.001 0.000 0.261 7 K C -2.161 173.845 176.600 -0.989 0.000 0.932 7 K CA -0.384 55.441 56.287 -0.769 0.000 0.829 7 K CB 2.075 34.352 32.500 -0.372 0.000 1.358 7 K HN 0.059 nan 8.250 nan 0.000 0.430 8 A N 3.086 125.039 122.820 -1.445 0.000 2.393 8 A HA 0.657 4.978 4.320 0.001 0.000 0.306 8 A C -1.533 175.805 177.584 -0.410 0.000 1.050 8 A CA -0.622 50.947 52.037 -0.781 0.000 0.724 8 A CB 1.186 19.791 19.000 -0.659 0.000 1.248 8 A HN 0.806 nan 8.150 nan 0.000 0.424 9 E N 1.048 121.118 120.200 -0.217 0.000 2.392 9 E HA 0.696 5.047 4.350 0.001 0.000 0.279 9 E C -0.519 176.046 176.600 -0.059 0.000 0.964 9 E CA -0.974 55.370 56.400 -0.092 0.000 0.777 9 E CB 1.786 31.441 29.700 -0.074 0.000 1.249 9 E HN 0.992 nan 8.360 nan 0.000 0.449 10 A N 2.851 125.651 122.820 -0.033 0.000 2.401 10 A HA 0.608 4.928 4.320 0.001 0.000 0.259 10 A C -0.496 177.073 177.584 -0.025 0.000 1.103 10 A CA -0.285 51.739 52.037 -0.023 0.000 0.789 10 A CB 0.153 19.137 19.000 -0.026 0.000 1.035 10 A HN 0.551 nan 8.150 nan 0.000 0.491 11 L N 0.616 121.829 121.223 -0.017 0.000 2.341 11 L HA 0.453 4.794 4.340 0.001 0.000 0.254 11 L C -0.384 176.477 176.870 -0.016 0.000 1.040 11 L CA -0.797 54.031 54.840 -0.020 0.000 0.837 11 L CB 1.778 43.825 42.059 -0.021 0.000 1.425 11 L HN 0.881 nan 8.230 nan 0.000 0.414 12 D N 1.596 121.986 120.400 -0.016 0.000 2.828 12 D HA -0.140 4.500 4.640 0.001 0.000 0.241 12 D C 0.798 177.066 176.300 -0.053 0.000 1.142 12 D CA 1.324 55.325 54.000 0.002 0.000 0.755 12 D CB -0.797 40.029 40.800 0.042 0.000 1.014 12 D HN 1.033 nan 8.370 nan 0.000 0.420 13 G N 0.617 109.348 108.800 -0.115 0.000 2.249 13 G HA2 0.047 4.008 3.960 0.001 0.000 0.273 13 G HA3 0.047 4.008 3.960 0.001 0.000 0.273 13 G C 1.092 175.743 174.900 -0.415 0.000 1.036 13 G CA 1.083 46.026 45.100 -0.261 0.000 0.824 13 G HN 2.050 nan 8.290 nan 0.000 0.504 14 A N -2.505 120.197 122.820 -0.196 0.000 2.861 14 A HA -0.301 4.020 4.320 0.001 0.000 0.261 14 A C 1.042 178.611 177.584 -0.024 0.000 1.351 14 A CA 2.440 54.416 52.037 -0.101 0.000 0.904 14 A CB -2.297 16.659 19.000 -0.073 0.000 1.076 14 A HN 1.429 nan 8.150 nan 0.000 0.729 15 H N -1.570 117.543 119.070 0.072 0.000 2.548 15 H HA 0.524 5.080 4.556 0.001 0.000 0.265 15 H C 0.518 175.891 175.328 0.076 0.000 0.969 15 H CA 0.732 56.831 56.048 0.084 0.000 1.155 15 H CB 0.223 30.015 29.762 0.051 0.000 1.394 15 H HN 0.550 nan 8.280 nan 0.000 0.570 16 L N 0.732 122.043 121.223 0.148 0.000 2.388 16 L HA 0.395 4.736 4.340 0.001 0.000 0.264 16 L C -0.933 175.985 176.870 0.080 0.000 0.998 16 L CA -0.819 54.078 54.840 0.096 0.000 0.817 16 L CB 2.849 44.929 42.059 0.036 0.000 1.338 16 L HN 0.088 nan 8.230 nan 0.000 0.414 17 M N 2.791 122.455 119.600 0.106 0.000 2.243 17 M HA 0.392 4.872 4.480 0.001 0.000 0.324 17 M C -1.144 175.201 176.300 0.076 0.000 1.031 17 M CA -0.333 55.015 55.300 0.080 0.000 0.949 17 M CB 1.866 34.526 32.600 0.101 0.000 1.615 17 M HN 0.620 nan 8.290 nan 0.000 0.430 18 Q N 4.537 124.325 119.800 -0.019 0.000 2.256 18 Q HA 0.520 4.861 4.340 0.001 0.000 0.257 18 Q C -1.543 174.358 176.000 -0.165 0.000 0.936 18 Q CA -0.755 55.004 55.803 -0.073 0.000 0.903 18 Q CB 1.461 30.141 28.738 -0.097 0.000 1.263 18 Q HN 0.676 nan 8.270 nan 0.000 0.440 19 I N 4.589 125.028 120.570 -0.220 0.000 2.406 19 I HA 0.253 4.424 4.170 0.001 0.000 0.290 19 I C -0.713 175.055 176.117 -0.581 0.000 0.999 19 I CA -0.848 60.147 61.300 -0.510 0.000 1.124 19 I CB 1.303 38.837 38.000 -0.777 0.000 1.289 19 I HN 0.596 nan 8.210 nan 0.000 0.441 20 L N 7.207 128.098 121.223 -0.553 0.000 2.257 20 L HA 0.443 4.784 4.340 0.001 0.000 0.290 20 L C -0.951 175.652 176.870 -0.446 0.000 1.044 20 L CA -0.127 54.469 54.840 -0.406 0.000 0.810 20 L CB 0.636 42.527 42.059 -0.280 0.000 1.193 20 L HN 0.407 nan 8.230 nan 0.000 0.425 21 W N 3.928 125.191 121.300 -0.062 0.000 2.215 21 W HA 0.229 4.890 4.660 0.001 0.000 0.342 21 W C 0.681 177.179 176.519 -0.035 0.000 1.237 21 W CA -0.162 57.175 57.345 -0.013 0.000 1.283 21 W CB 0.211 29.696 29.460 0.041 0.000 1.131 21 W HN 0.524 nan 8.180 nan 0.000 0.606 22 Y N 0.807 121.278 120.300 0.285 0.000 2.274 22 Y HA -0.294 4.257 4.550 0.001 0.000 0.290 22 Y C 2.276 178.260 175.900 0.140 0.000 1.145 22 Y CA 1.931 60.131 58.100 0.168 0.000 1.203 22 Y CB -0.436 38.111 38.460 0.145 0.000 0.984 22 Y HN 0.462 nan 8.280 nan 0.000 0.533 23 D N 0.178 120.761 120.400 0.305 0.000 2.220 23 D HA -0.260 4.381 4.640 0.001 0.000 0.198 23 D C 0.762 177.150 176.300 0.148 0.000 1.001 23 D CA 1.955 56.066 54.000 0.186 0.000 0.875 23 D CB 0.132 41.022 40.800 0.151 0.000 0.921 23 D HN 0.388 nan 8.370 nan 0.000 0.454 24 E N -0.859 119.434 120.200 0.153 0.000 4.217 24 E HA -0.159 4.192 4.350 0.001 0.000 0.365 24 E C -0.111 176.554 176.600 0.108 0.000 0.647 24 E CA 0.611 57.067 56.400 0.093 0.000 1.399 24 E CB -1.550 28.189 29.700 0.066 0.000 1.766 24 E HN 0.585 nan 8.360 nan 0.000 0.394 25 E N 0.727 121.034 120.200 0.179 0.000 2.392 25 E HA 0.288 4.639 4.350 0.001 0.000 0.259 25 E C 0.097 176.875 176.600 0.297 0.000 1.108 25 E CA 0.317 56.845 56.400 0.213 0.000 0.916 25 E CB 0.585 30.406 29.700 0.202 0.000 0.989 25 E HN 0.086 nan 8.360 nan 0.000 0.432 26 E N 0.308 120.635 120.200 0.212 0.000 2.317 26 E HA 0.471 4.821 4.350 0.001 0.000 0.270 26 E C -1.359 175.317 176.600 0.126 0.000 0.885 26 E CA -0.638 55.820 56.400 0.097 0.000 0.760 26 E CB 2.241 31.939 29.700 -0.003 0.000 1.227 26 E HN 0.183 nan 8.360 nan 0.000 0.434 27 S N 1.261 116.988 115.700 0.045 0.000 2.549 27 S HA 0.564 5.035 4.470 0.001 0.000 0.280 27 S C -1.565 172.912 174.600 -0.205 0.000 1.109 27 S CA -0.661 57.530 58.200 -0.015 0.000 0.905 27 S CB 1.366 64.718 63.200 0.254 0.000 1.081 27 S HN 0.306 nan 8.310 nan 0.000 0.477 28 L N 2.830 123.811 121.223 -0.403 0.000 2.356 28 L HA 0.619 4.959 4.340 0.001 0.000 0.277 28 L C -2.006 174.533 176.870 -0.551 0.000 0.996 28 L CA -0.323 54.319 54.840 -0.330 0.000 0.822 28 L CB 0.924 42.858 42.059 -0.208 0.000 1.256 28 L HN 0.685 nan 8.230 nan 0.000 0.413 29 Y N 4.870 125.170 120.300 -0.001 0.000 2.361 29 Y HA 0.552 5.102 4.550 0.001 0.000 0.337 29 Y C -2.215 173.693 175.900 0.014 0.000 0.965 29 Y CA -2.560 55.555 58.100 0.025 0.000 1.091 29 Y CB 1.467 40.048 38.460 0.201 0.000 1.182 29 Y HN 0.504 nan 8.280 nan 0.000 0.450 30 P HA 0.106 nan 4.420 nan 0.000 0.271 30 P C 0.199 177.673 177.300 0.290 0.000 1.216 30 P CA 0.132 63.285 63.100 0.088 0.000 0.771 30 P CB 1.329 32.993 31.700 -0.060 0.000 0.864 31 A N 3.499 126.491 122.820 0.287 0.000 1.933 31 A HA -0.163 4.158 4.320 0.001 0.000 0.218 31 A C 2.098 179.863 177.584 0.302 0.000 1.175 31 A CA 1.918 54.203 52.037 0.414 0.000 0.628 31 A CB -1.537 17.741 19.000 0.465 0.000 0.814 31 A HN 0.459 nan 8.150 nan 0.000 0.444 32 V N -1.604 118.421 119.914 0.185 0.000 2.427 32 V HA -0.202 3.919 4.120 0.001 0.000 0.248 32 V C 2.000 178.174 176.094 0.133 0.000 1.051 32 V CA 2.270 64.615 62.300 0.075 0.000 1.048 32 V CB -0.483 31.368 31.823 0.047 0.000 0.666 32 V HN 0.814 nan 8.190 nan 0.000 0.456 33 W N 0.178 121.517 121.300 0.064 0.000 2.409 33 W HA -0.075 4.585 4.660 0.001 0.000 0.299 33 W C 2.006 178.640 176.519 0.192 0.000 1.203 33 W CA 1.847 59.274 57.345 0.136 0.000 1.298 33 W CB -0.171 29.398 29.460 0.181 0.000 1.127 33 W HN 0.237 nan 8.180 nan 0.000 0.528 34 L N 0.566 121.955 121.223 0.276 0.000 2.017 34 L HA -0.206 4.134 4.340 0.001 0.000 0.208 34 L C 2.659 179.667 176.870 0.229 0.000 1.073 34 L CA 1.706 56.601 54.840 0.091 0.000 0.745 34 L CB -1.058 41.110 42.059 0.181 0.000 0.894 34 L HN -0.083 nan 8.230 nan 0.000 0.432 35 R N 0.762 121.248 120.500 -0.023 0.000 2.073 35 R HA -0.222 4.118 4.340 0.001 0.000 0.234 35 R C 1.884 178.045 176.300 -0.233 0.000 1.134 35 R CA 2.028 57.857 56.100 -0.450 0.000 0.952 35 R CB -0.730 28.947 30.300 -1.039 0.000 0.850 35 R HN 0.353 nan 8.270 nan 0.000 0.433 36 D N -0.617 119.682 120.400 -0.167 0.000 2.218 36 D HA -0.115 4.525 4.640 0.001 0.000 0.204 36 D C 0.372 176.611 176.300 -0.103 0.000 0.976 36 D CA 1.082 55.011 54.000 -0.118 0.000 0.853 36 D CB -0.071 40.692 40.800 -0.062 0.000 0.939 36 D HN 0.232 nan 8.370 nan 0.000 0.481 37 N N -0.132 118.479 118.700 -0.148 0.000 2.328 37 N HA 0.046 4.787 4.740 0.001 0.000 0.247 37 N C -0.674 174.800 175.510 -0.060 0.000 1.165 37 N CA -0.212 52.762 53.050 -0.126 0.000 0.873 37 N CB -0.006 38.288 38.487 -0.322 0.000 1.125 37 N HN 0.182 nan 8.380 nan 0.000 0.513 38 C N 3.154 122.447 119.300 -0.012 0.000 2.590 38 C HA 0.078 4.539 4.460 0.001 0.000 0.411 38 C C -0.862 173.987 174.990 -0.234 0.000 1.420 38 C CA -0.833 58.123 59.018 -0.102 0.000 1.643 38 C CB 0.255 28.032 27.740 0.062 0.000 2.528 38 C HN 0.341 nan 8.230 nan 0.000 0.606 39 P HA 0.111 nan 4.420 nan 0.000 0.255 39 P C 0.777 177.975 177.300 -0.171 0.000 1.248 39 P CA 0.017 62.853 63.100 -0.440 0.000 0.807 39 P CB -0.786 30.511 31.700 -0.672 0.000 1.150 40 C N -0.380 118.855 119.300 -0.108 0.000 2.745 40 C HA 0.245 4.706 4.460 0.001 0.000 0.387 40 C C 2.018 177.051 174.990 0.071 0.000 1.312 40 C CA 0.161 59.172 59.018 -0.011 0.000 2.204 40 C CB -0.558 27.189 27.740 0.012 0.000 2.686 40 C HN 0.163 nan 8.230 nan 0.000 0.705 41 S N 0.915 116.651 115.700 0.061 0.000 2.522 41 S HA -0.056 4.414 4.470 0.001 0.000 0.227 41 S C 1.172 175.813 174.600 0.068 0.000 0.986 41 S CA 1.103 59.342 58.200 0.065 0.000 0.929 41 S CB -0.394 62.830 63.200 0.039 0.000 0.769 41 S HN 0.851 nan 8.310 nan 0.000 0.529 42 D N 0.960 121.418 120.400 0.096 0.000 2.144 42 D HA -0.003 4.638 4.640 0.001 0.000 0.200 42 D C 1.545 177.895 176.300 0.084 0.000 0.978 42 D CA 0.770 54.832 54.000 0.103 0.000 0.833 42 D CB -0.148 40.761 40.800 0.181 0.000 0.961 42 D HN 0.400 nan 8.370 nan 0.000 0.470 43 C N -1.096 118.271 119.300 0.112 0.000 2.791 43 C HA 0.204 4.664 4.460 0.001 0.000 0.288 43 C C 0.389 175.470 174.990 0.152 0.000 1.271 43 C CA -0.586 58.487 59.018 0.092 0.000 1.726 43 C CB -0.388 27.402 27.740 0.083 0.000 2.145 43 C HN 0.181 nan 8.230 nan 0.000 0.572 44 Y N 0.096 120.390 120.300 -0.010 0.000 2.470 44 Y HA 0.633 5.183 4.550 0.001 0.000 0.341 44 Y C -1.247 174.649 175.900 -0.007 0.000 1.021 44 Y CA -1.287 56.805 58.100 -0.013 0.000 1.025 44 Y CB 0.997 39.435 38.460 -0.037 0.000 1.266 44 Y HN -0.037 nan 8.280 nan 0.000 0.448 45 L N 6.026 126.889 121.223 -0.600 0.000 2.297 45 L HA 0.402 4.742 4.340 0.001 0.000 0.277 45 L C 0.479 177.046 176.870 -0.505 0.000 1.040 45 L CA 0.116 54.720 54.840 -0.394 0.000 0.867 45 L CB 0.348 42.252 42.059 -0.258 0.000 1.244 45 L HN 0.778 nan 8.230 nan 0.000 0.433 46 D N 0.734 121.019 120.400 -0.191 0.000 2.106 46 D HA -0.230 4.410 4.640 0.001 0.000 0.191 46 D C 2.000 178.283 176.300 -0.028 0.000 0.997 46 D CA 2.038 56.038 54.000 -0.000 0.000 0.834 46 D CB 0.261 41.109 40.800 0.081 0.000 0.956 46 D HN 0.721 nan 8.370 nan 0.000 0.448 47 S N -0.133 115.540 115.700 -0.045 0.000 2.399 47 S HA -0.041 4.429 4.470 0.001 0.000 0.231 47 S C 1.929 176.507 174.600 -0.036 0.000 1.022 47 S CA 1.165 59.350 58.200 -0.024 0.000 0.983 47 S CB -0.154 63.033 63.200 -0.022 0.000 0.803 47 S HN 0.248 nan 8.310 nan 0.000 0.480 48 A N 0.839 123.608 122.820 -0.084 0.000 2.238 48 A HA 0.323 4.644 4.320 0.001 0.000 0.210 48 A C 0.623 178.159 177.584 -0.080 0.000 1.179 48 A CA -0.177 51.815 52.037 -0.075 0.000 0.827 48 A CB -0.253 18.695 19.000 -0.087 0.000 0.856 48 A HN 0.274 nan 8.150 nan 0.000 0.488 49 K N -0.888 119.441 120.400 -0.119 0.000 3.278 49 K HA -0.204 4.117 4.320 0.001 0.000 0.270 49 K C -0.058 176.473 176.600 -0.115 0.000 0.955 49 K CA 0.975 57.232 56.287 -0.051 0.000 0.723 49 K CB -2.507 30.071 32.500 0.130 0.000 1.382 49 K HN 0.960 nan 8.250 nan 0.000 0.461 50 A N 0.868 123.441 122.820 -0.411 0.000 2.435 50 A HA 0.652 4.972 4.320 0.001 0.000 0.304 50 A C -0.189 177.226 177.584 -0.283 0.000 1.064 50 A CA -0.839 51.070 52.037 -0.213 0.000 0.727 50 A CB 1.383 20.303 19.000 -0.134 0.000 1.284 50 A HN 0.332 nan 8.150 nan 0.000 0.415 51 R N 1.412 121.907 120.500 -0.009 0.000 2.298 51 R HA 0.279 4.620 4.340 0.001 0.000 0.310 51 R C 0.168 176.472 176.300 0.007 0.000 1.068 51 R CA -0.195 55.952 56.100 0.079 0.000 0.957 51 R CB 0.534 30.914 30.300 0.133 0.000 1.003 51 R HN 0.799 nan 8.270 nan 0.000 0.454 52 K N 3.283 123.685 120.400 0.003 0.000 2.262 52 K HA -0.004 4.317 4.320 0.001 0.000 0.200 52 K C 0.528 177.129 176.600 0.001 0.000 1.049 52 K CA 0.075 56.357 56.287 -0.008 0.000 0.979 52 K CB 0.009 32.503 32.500 -0.010 0.000 0.773 52 K HN 0.355 nan 8.250 nan 0.000 0.474 53 L N 2.666 123.894 121.223 0.008 0.000 2.540 53 L HA -0.031 4.309 4.340 0.001 0.000 0.276 53 L C -0.442 176.418 176.870 -0.016 0.000 1.212 53 L CA 0.236 55.064 54.840 -0.020 0.000 0.893 53 L CB 0.191 42.226 42.059 -0.039 0.000 1.138 53 L HN -0.097 nan 8.230 nan 0.000 0.491 54 L N 5.586 126.793 121.223 -0.026 0.000 2.375 54 L HA 0.192 4.533 4.340 0.001 0.000 0.271 54 L C 1.257 178.113 176.870 -0.024 0.000 1.107 54 L CA 0.207 55.036 54.840 -0.018 0.000 0.806 54 L CB 1.432 43.480 42.059 -0.018 0.000 1.146 54 L HN 0.548 nan 8.230 nan 0.000 0.447 55 V N 1.356 121.263 119.914 -0.012 0.000 2.332 55 V HA -0.211 3.910 4.120 0.001 0.000 0.248 55 V C 1.950 178.032 176.094 -0.021 0.000 1.055 55 V CA 1.465 63.758 62.300 -0.012 0.000 1.038 55 V CB -0.416 31.408 31.823 0.001 0.000 0.651 55 V HN 0.793 nan 8.190 nan 0.000 0.450 56 E N 0.113 120.302 120.200 -0.018 0.000 2.333 56 E HA -0.088 4.262 4.350 0.001 0.000 0.198 56 E C 2.026 178.608 176.600 -0.031 0.000 1.007 56 E CA 1.167 57.555 56.400 -0.020 0.000 0.845 56 E CB -0.218 29.474 29.700 -0.013 0.000 0.766 56 E HN 0.621 nan 8.360 nan 0.000 0.507 57 A N 0.407 123.201 122.820 -0.044 0.000 2.275 57 A HA 0.096 4.417 4.320 0.001 0.000 0.212 57 A C 0.887 178.417 177.584 -0.091 0.000 1.201 57 A CA -0.267 51.732 52.037 -0.063 0.000 0.843 57 A CB 0.080 19.036 19.000 -0.073 0.000 0.873 57 A HN 0.134 nan 8.150 nan 0.000 0.492 58 L N 0.774 121.948 121.223 -0.082 0.000 2.257 58 L HA 0.425 4.766 4.340 0.001 0.000 0.290 58 L C -0.723 176.099 176.870 -0.081 0.000 1.044 58 L CA -0.612 54.164 54.840 -0.105 0.000 0.810 58 L CB 0.955 42.961 42.059 -0.089 0.000 1.193 58 L HN 0.118 nan 8.230 nan 0.000 0.425 59 D N 3.590 123.933 120.400 -0.095 0.000 2.344 59 D HA 0.019 4.660 4.640 0.001 0.000 0.253 59 D C 1.244 177.513 176.300 -0.052 0.000 1.255 59 D CA 0.100 54.066 54.000 -0.057 0.000 0.894 59 D CB 1.148 41.923 40.800 -0.041 0.000 1.067 59 D HN 0.459 nan 8.370 nan 0.000 0.492 60 V N 1.857 121.748 119.914 -0.037 0.000 2.913 60 V HA -0.076 4.044 4.120 0.001 0.000 0.260 60 V C 0.798 176.862 176.094 -0.049 0.000 1.098 60 V CA 1.224 63.502 62.300 -0.037 0.000 1.121 60 V CB -0.782 31.023 31.823 -0.030 0.000 0.714 60 V HN 0.411 nan 8.190 nan 0.000 0.487 61 N N 0.288 118.968 118.700 -0.034 0.000 2.251 61 N HA 0.387 5.127 4.740 0.001 0.000 0.217 61 N C 0.270 175.830 175.510 0.084 0.000 1.124 61 N CA -0.171 52.854 53.050 -0.041 0.000 0.843 61 N CB 0.393 38.875 38.487 -0.008 0.000 1.024 61 N HN 0.556 nan 8.380 nan 0.000 0.501 62 I N 0.905 121.528 120.570 0.089 0.000 2.813 62 I HA 0.124 4.295 4.170 0.001 0.000 0.287 62 I C 0.599 176.948 176.117 0.386 0.000 1.196 62 I CA 0.155 61.563 61.300 0.179 0.000 1.421 62 I CB 0.466 38.482 38.000 0.027 0.000 1.365 62 I HN 0.081 nan 8.210 nan 0.000 0.591 63 G N 6.747 115.781 108.800 0.390 0.000 2.533 63 G HA2 0.546 4.507 3.960 0.001 0.000 0.304 63 G HA3 0.546 4.507 3.960 0.001 0.000 0.304 63 G C -0.886 174.242 174.900 0.381 0.000 1.263 63 G CA -0.850 44.454 45.100 0.340 0.000 0.964 63 G HN 0.598 nan 8.290 nan 0.000 0.479 64 I N 1.234 121.939 120.570 0.225 0.000 2.598 64 I HA 0.041 4.212 4.170 0.001 0.000 0.284 64 I C 1.650 177.756 176.117 -0.018 0.000 1.140 64 I CA 0.028 61.309 61.300 -0.031 0.000 1.420 64 I CB 1.495 39.410 38.000 -0.141 0.000 1.387 64 I HN 0.710 nan 8.210 nan 0.000 0.553 65 K N 5.096 125.478 120.400 -0.030 0.000 2.067 65 K HA 0.103 4.423 4.320 0.001 0.000 0.203 65 K C 0.703 177.284 176.600 -0.031 0.000 1.048 65 K CA 0.729 57.019 56.287 0.004 0.000 0.954 65 K CB 0.271 32.805 32.500 0.056 0.000 0.737 65 K HN 0.816 nan 8.250 nan 0.000 0.444 66 G N 0.855 109.609 108.800 -0.078 0.000 2.682 66 G HA2 0.530 4.490 3.960 0.001 0.000 0.300 66 G HA3 0.530 4.490 3.960 0.001 0.000 0.300 66 G C -2.178 172.680 174.900 -0.069 0.000 1.391 66 G CA -0.669 44.404 45.100 -0.046 0.000 0.990 66 G HN 0.162 nan 8.290 nan 0.000 0.501 67 L N 2.549 123.765 121.223 -0.011 0.000 2.438 67 L HA 0.690 5.030 4.340 0.001 0.000 0.270 67 L C -1.262 175.679 176.870 0.118 0.000 0.972 67 L CA -0.949 53.909 54.840 0.030 0.000 0.831 67 L CB 1.606 43.674 42.059 0.015 0.000 1.273 67 L HN 0.310 nan 8.230 nan 0.000 0.405 68 I N 4.617 125.297 120.570 0.183 0.000 2.740 68 I HA 0.566 4.736 4.170 0.001 0.000 0.303 68 I C -0.569 175.802 176.117 0.423 0.000 1.044 68 I CA -0.528 60.891 61.300 0.197 0.000 1.064 68 I CB 1.814 39.847 38.000 0.055 0.000 1.249 68 I HN 0.569 nan 8.210 nan 0.000 0.433 69 F N 2.112 122.179 119.950 0.195 0.000 2.645 69 F HA 0.762 5.290 4.527 0.001 0.000 0.310 69 F C -1.122 174.807 175.800 0.215 0.000 1.102 69 F CA -0.896 57.242 58.000 0.230 0.000 0.952 69 F CB 1.472 40.522 39.000 0.083 0.000 1.326 69 F HN 0.507 nan 8.300 nan 0.000 0.456 70 D N -0.009 120.610 120.400 0.366 0.000 2.784 70 D HA 0.408 5.048 4.640 0.001 0.000 0.256 70 D C 0.509 177.031 176.300 0.369 0.000 1.129 70 D CA -0.814 53.330 54.000 0.239 0.000 1.102 70 D CB 0.784 41.697 40.800 0.190 0.000 1.330 70 D HN 0.538 nan 8.370 nan 0.000 0.626 71 R N -1.244 119.428 120.500 0.287 0.000 2.189 71 R HA 0.023 4.364 4.340 0.001 0.000 0.223 71 R C 1.055 177.520 176.300 0.275 0.000 1.092 71 R CA 1.028 57.312 56.100 0.308 0.000 0.989 71 R CB 0.070 30.512 30.300 0.236 0.000 0.876 71 R HN 0.181 nan 8.270 nan 0.000 0.457 72 K N -0.777 119.758 120.400 0.225 0.000 2.502 72 K HA 0.256 4.576 4.320 0.001 0.000 0.211 72 K C 0.007 176.684 176.600 0.128 0.000 1.259 72 K CA 0.258 56.654 56.287 0.182 0.000 0.983 72 K CB 1.230 33.813 32.500 0.140 0.000 1.054 72 K HN 0.078 nan 8.250 nan 0.000 0.572 73 K N 0.007 120.460 120.400 0.089 0.000 2.482 73 K HA 0.640 4.960 4.320 0.001 0.000 0.257 73 K C -1.280 175.228 176.600 -0.153 0.000 0.969 73 K CA -0.799 55.407 56.287 -0.134 0.000 0.842 73 K CB 2.763 35.000 32.500 -0.438 0.000 1.359 73 K HN -0.144 nan 8.250 nan 0.000 0.441 74 V N 2.246 122.000 119.914 -0.268 0.000 2.604 74 V HA 0.413 4.534 4.120 0.001 0.000 0.305 74 V C -1.519 174.366 176.094 -0.348 0.000 1.043 74 V CA -0.800 61.426 62.300 -0.122 0.000 0.888 74 V CB 1.205 33.036 31.823 0.014 0.000 0.995 74 V HN 0.605 nan 8.190 nan 0.000 0.429 75 Y N 4.787 125.093 120.300 0.010 0.000 2.338 75 Y HA 0.671 5.221 4.550 0.001 0.000 0.328 75 Y C -0.063 175.716 175.900 -0.202 0.000 0.965 75 Y CA -0.560 57.457 58.100 -0.139 0.000 1.208 75 Y CB 1.368 39.847 38.460 0.033 0.000 1.132 75 Y HN 0.408 nan 8.280 nan 0.000 0.469 76 I N 3.053 123.438 120.570 -0.308 0.000 2.441 76 I HA 0.422 4.592 4.170 0.001 0.000 0.295 76 I C -0.399 175.420 176.117 -0.497 0.000 0.994 76 I CA -0.534 60.531 61.300 -0.393 0.000 1.144 76 I CB 2.152 39.843 38.000 -0.516 0.000 1.314 76 I HN 0.547 nan 8.210 nan 0.000 0.445 77 T N 3.996 118.343 114.554 -0.344 0.000 2.824 77 T HA 0.394 4.744 4.350 0.001 0.000 0.280 77 T C -0.791 173.723 174.700 -0.310 0.000 0.995 77 T CA -0.422 61.577 62.100 -0.167 0.000 1.009 77 T CB 0.746 69.641 68.868 0.045 0.000 0.955 77 T HN 0.319 nan 8.240 nan 0.000 0.452 78 W N 2.384 123.772 121.300 0.147 0.000 2.415 78 W HA 0.355 5.016 4.660 0.001 0.000 0.355 78 W C -1.630 174.956 176.519 0.112 0.000 1.161 78 W CA -2.347 55.078 57.345 0.133 0.000 1.315 78 W CB 0.214 29.770 29.460 0.159 0.000 1.261 78 W HN 0.480 nan 8.180 nan 0.000 0.636 79 P HA -0.191 nan 4.420 nan 0.000 0.219 79 P C 0.680 178.092 177.300 0.187 0.000 1.146 79 P CA 1.729 64.961 63.100 0.220 0.000 0.808 79 P CB 0.104 31.919 31.700 0.193 0.000 0.779 80 D N -1.626 118.906 120.400 0.220 0.000 2.325 80 D HA -0.037 4.604 4.640 0.001 0.000 0.225 80 D C 0.359 176.776 176.300 0.193 0.000 1.096 80 D CA -0.057 54.045 54.000 0.170 0.000 0.844 80 D CB -0.521 40.360 40.800 0.135 0.000 0.925 80 D HN -0.029 nan 8.370 nan 0.000 0.513 81 E N -1.092 119.242 120.200 0.224 0.000 4.028 81 E HA -0.257 4.093 4.350 0.001 0.000 0.343 81 E C -0.145 176.614 176.600 0.264 0.000 0.700 81 E CA 0.590 57.110 56.400 0.199 0.000 1.288 81 E CB -2.724 27.050 29.700 0.124 0.000 1.677 81 E HN 0.687 nan 8.360 nan 0.000 0.424 82 H N -0.469 118.764 119.070 0.271 0.000 2.929 82 H HA 0.278 4.835 4.556 0.001 0.000 0.358 82 H C -0.501 175.095 175.328 0.448 0.000 1.111 82 H CA 0.878 57.124 56.048 0.329 0.000 1.409 82 H CB 0.321 30.267 29.762 0.308 0.000 1.373 82 H HN 0.186 nan 8.280 nan 0.000 0.610 83 Y N 2.122 122.342 120.300 -0.133 0.000 2.442 83 Y HA 0.447 4.997 4.550 0.001 0.000 0.344 83 Y C -1.294 174.576 175.900 -0.049 0.000 0.976 83 Y CA -0.551 57.518 58.100 -0.053 0.000 1.040 83 Y CB 1.536 39.937 38.460 -0.098 0.000 1.228 83 Y HN 0.638 nan 8.280 nan 0.000 0.451 84 S N 4.885 120.235 115.700 -0.583 0.000 2.571 84 S HA 0.424 4.894 4.470 0.001 0.000 0.284 84 S C -1.432 172.654 174.600 -0.856 0.000 1.128 84 S CA -1.018 56.868 58.200 -0.522 0.000 0.970 84 S CB 1.672 64.840 63.200 -0.052 0.000 1.039 84 S HN 0.654 nan 8.310 nan 0.000 0.485 85 E N 1.506 121.203 120.200 -0.838 0.000 2.183 85 E HA 0.522 4.872 4.350 0.001 0.000 0.271 85 E C -1.450 174.584 176.600 -0.943 0.000 0.919 85 E CA -0.460 55.506 56.400 -0.723 0.000 0.781 85 E CB 1.385 30.828 29.700 -0.428 0.000 1.140 85 E HN 0.429 nan 8.360 nan 0.000 0.402 86 F N 1.439 121.151 119.950 -0.397 0.000 2.520 86 F HA 0.228 4.756 4.527 0.001 0.000 0.322 86 F C 0.474 176.132 175.800 -0.237 0.000 1.103 86 F CA -1.062 56.725 58.000 -0.355 0.000 0.926 86 F CB 1.544 40.399 39.000 -0.242 0.000 1.154 86 F HN 0.126 nan 8.300 nan 0.000 0.453 87 Q N 1.572 121.371 119.800 -0.001 0.000 2.299 87 Q HA 0.364 4.705 4.340 0.001 0.000 0.246 87 Q C 0.916 177.058 176.000 0.237 0.000 0.935 87 Q CA 0.037 55.889 55.803 0.083 0.000 0.887 87 Q CB 1.668 30.455 28.738 0.082 0.000 1.223 87 Q HN 0.916 nan 8.270 nan 0.000 0.439 88 A N 3.060 126.018 122.820 0.230 0.000 1.908 88 A HA -0.223 4.098 4.320 0.001 0.000 0.218 88 A C 1.351 179.136 177.584 0.335 0.000 1.181 88 A CA 1.922 54.174 52.037 0.359 0.000 0.627 88 A CB -0.172 19.059 19.000 0.386 0.000 0.818 88 A HN 0.680 nan 8.150 nan 0.000 0.445 89 D N -1.779 118.755 120.400 0.223 0.000 2.117 89 D HA -0.146 4.495 4.640 0.001 0.000 0.198 89 D C 1.535 177.942 176.300 0.178 0.000 0.982 89 D CA 1.057 55.139 54.000 0.135 0.000 0.828 89 D CB -0.393 40.469 40.800 0.104 0.000 0.967 89 D HN 0.727 nan 8.370 nan 0.000 0.464 90 W N 1.177 122.516 121.300 0.065 0.000 2.355 90 W HA -0.123 4.537 4.660 0.001 0.000 0.309 90 W C 1.962 178.551 176.519 0.117 0.000 1.206 90 W CA 1.185 58.575 57.345 0.074 0.000 1.284 90 W CB -0.318 29.183 29.460 0.069 0.000 1.145 90 W HN -0.072 nan 8.180 nan 0.000 0.502 91 L N 0.642 122.145 121.223 0.466 0.000 2.017 91 L HA -0.234 4.106 4.340 0.001 0.000 0.208 91 L C 2.504 179.553 176.870 0.298 0.000 1.073 91 L CA 1.808 56.817 54.840 0.282 0.000 0.745 91 L CB -1.043 41.118 42.059 0.170 0.000 0.894 91 L HN -0.095 nan 8.230 nan 0.000 0.432 92 K N 0.853 121.400 120.400 0.245 0.000 2.063 92 K HA -0.234 4.086 4.320 0.001 0.000 0.208 92 K C 2.110 178.667 176.600 -0.072 0.000 1.048 92 K CA 1.617 57.892 56.287 -0.020 0.000 0.928 92 K CB -0.161 32.080 32.500 -0.432 0.000 0.713 92 K HN 0.060 nan 8.250 nan 0.000 0.442 93 K N 0.044 120.387 120.400 -0.096 0.000 2.097 93 K HA -0.083 4.238 4.320 0.001 0.000 0.205 93 K C 1.396 177.878 176.600 -0.196 0.000 1.050 93 K CA 1.242 57.437 56.287 -0.153 0.000 0.938 93 K CB 0.059 32.460 32.500 -0.164 0.000 0.718 93 K HN 0.059 nan 8.250 nan 0.000 0.442 94 R N 0.225 120.596 120.500 -0.215 0.000 2.356 94 R HA 0.085 4.426 4.340 0.001 0.000 0.234 94 R C 0.263 176.334 176.300 -0.381 0.000 0.929 94 R CA -0.354 55.550 56.100 -0.327 0.000 1.084 94 R CB -0.157 29.928 30.300 -0.357 0.000 1.105 94 R HN 0.192 nan 8.270 nan 0.000 0.515 95 C N 0.791 120.013 119.300 -0.129 0.000 2.563 95 C HA -0.070 4.390 4.460 0.001 0.000 0.411 95 C C 1.366 176.140 174.990 -0.360 0.000 1.386 95 C CA -0.148 58.785 59.018 -0.142 0.000 1.703 95 C CB -0.593 27.142 27.740 -0.008 0.000 2.596 95 C HN 0.541 nan 8.230 nan 0.000 0.605 96 F N 3.785 123.538 119.950 -0.328 0.000 2.811 96 F HA 0.106 4.634 4.527 0.001 0.000 0.301 96 F C 1.938 177.618 175.800 -0.199 0.000 1.151 96 F CA 0.579 58.404 58.000 -0.291 0.000 1.412 96 F CB -0.405 38.375 39.000 -0.367 0.000 1.113 96 F HN 0.754 nan 8.300 nan 0.000 0.579 97 S N 0.196 115.869 115.700 -0.045 0.000 2.573 97 S HA -0.019 4.452 4.470 0.001 0.000 0.277 97 S C 1.480 176.050 174.600 -0.051 0.000 1.346 97 S CA -0.629 57.546 58.200 -0.042 0.000 1.034 97 S CB 1.063 64.237 63.200 -0.043 0.000 0.879 97 S HN 0.429 nan 8.310 nan 0.000 0.528 98 K N 1.124 121.501 120.400 -0.039 0.000 2.103 98 K HA -0.231 4.089 4.320 0.001 0.000 0.207 98 K C 2.263 178.833 176.600 -0.050 0.000 1.048 98 K CA 1.704 57.968 56.287 -0.040 0.000 0.930 98 K CB -0.294 32.187 32.500 -0.032 0.000 0.716 98 K HN 0.851 nan 8.250 nan 0.000 0.444 99 Q N -0.156 119.614 119.800 -0.051 0.000 2.046 99 Q HA -0.147 4.194 4.340 0.001 0.000 0.200 99 Q C 1.936 177.892 176.000 -0.073 0.000 0.975 99 Q CA 1.548 57.318 55.803 -0.056 0.000 0.836 99 Q CB -0.174 28.534 28.738 -0.050 0.000 0.896 99 Q HN 0.436 nan 8.270 nan 0.000 0.428 100 A N 0.905 123.673 122.820 -0.086 0.000 1.898 100 A HA -0.162 4.159 4.320 0.001 0.000 0.216 100 A C 2.067 179.575 177.584 -0.127 0.000 1.181 100 A CA 1.321 53.290 52.037 -0.112 0.000 0.620 100 A CB -0.443 18.482 19.000 -0.125 0.000 0.819 100 A HN 0.338 nan 8.150 nan 0.000 0.442 101 R N -0.574 119.849 120.500 -0.128 0.000 2.081 101 R HA -0.084 4.256 4.340 0.001 0.000 0.235 101 R C 2.479 178.730 176.300 -0.081 0.000 1.131 101 R CA 1.245 57.268 56.100 -0.128 0.000 0.960 101 R CB -0.455 29.776 30.300 -0.115 0.000 0.856 101 R HN 0.508 nan 8.270 nan 0.000 0.436 102 A N 1.419 124.200 122.820 -0.065 0.000 1.933 102 A HA -0.200 4.120 4.320 0.001 0.000 0.218 102 A C 2.062 179.612 177.584 -0.056 0.000 1.175 102 A CA 1.424 53.433 52.037 -0.047 0.000 0.628 102 A CB -0.341 18.633 19.000 -0.044 0.000 0.814 102 A HN 0.239 nan 8.150 nan 0.000 0.444 103 K N -0.755 119.600 120.400 -0.075 0.000 2.026 103 K HA -0.144 4.177 4.320 0.001 0.000 0.208 103 K C 1.886 178.425 176.600 -0.103 0.000 1.048 103 K CA 1.587 57.821 56.287 -0.088 0.000 0.929 103 K CB -0.300 32.143 32.500 -0.095 0.000 0.713 103 K HN 0.313 nan 8.250 nan 0.000 0.439 104 L N 1.609 122.768 121.223 -0.106 0.000 2.083 104 L HA -0.163 4.177 4.340 0.001 0.000 0.209 104 L C 2.202 179.020 176.870 -0.087 0.000 1.083 104 L CA 1.678 56.449 54.840 -0.115 0.000 0.752 104 L CB -0.518 41.465 42.059 -0.128 0.000 0.899 104 L HN 0.275 nan 8.230 nan 0.000 0.433 105 Q N -0.426 119.359 119.800 -0.025 0.000 2.119 105 Q HA -0.155 4.185 4.340 0.001 0.000 0.201 105 Q C 2.372 178.409 176.000 0.061 0.000 0.972 105 Q CA 1.302 57.162 55.803 0.096 0.000 0.847 105 Q CB -0.232 28.576 28.738 0.118 0.000 0.903 105 Q HN 0.557 nan 8.270 nan 0.000 0.433 106 R N 0.585 121.059 120.500 -0.043 0.000 2.081 106 R HA -0.119 4.221 4.340 0.001 0.000 0.235 106 R C 2.104 178.224 176.300 -0.300 0.000 1.131 106 R CA 1.184 57.219 56.100 -0.109 0.000 0.960 106 R CB -0.056 30.178 30.300 -0.111 0.000 0.856 106 R HN 0.384 nan 8.270 nan 0.000 0.436 107 E N 0.454 120.469 120.200 -0.309 0.000 2.150 107 E HA -0.142 4.209 4.350 0.001 0.000 0.193 107 E C 1.975 178.266 176.600 -0.515 0.000 0.985 107 E CA 0.884 57.017 56.400 -0.444 0.000 0.814 107 E CB 0.038 29.581 29.700 -0.262 0.000 0.752 107 E HN 0.300 nan 8.360 nan 0.000 0.466 108 L N -0.846 120.149 121.223 -0.382 0.000 2.127 108 L HA -0.028 4.312 4.340 0.001 0.000 0.203 108 L C 1.458 178.017 176.870 -0.519 0.000 1.080 108 L CA 0.804 55.330 54.840 -0.525 0.000 0.768 108 L CB 0.046 41.627 42.059 -0.797 0.000 0.924 108 L HN 0.111 nan 8.230 nan 0.000 0.444 109 F N -2.322 117.659 119.950 0.053 0.000 2.706 109 F HA 0.279 4.806 4.527 0.001 0.000 0.308 109 F C 0.052 176.014 175.800 0.270 0.000 1.095 109 F CA -0.961 57.144 58.000 0.174 0.000 1.244 109 F CB 0.053 39.095 39.000 0.070 0.000 1.063 109 F HN -0.209 nan 8.300 nan 0.000 0.582 110 F N 0.776 120.782 119.950 0.094 0.000 2.891 110 F HA -0.197 4.331 4.527 0.001 0.000 0.272 110 F C -1.663 174.161 175.800 0.039 0.000 1.004 110 F CA -0.521 57.510 58.000 0.051 0.000 0.938 110 F CB -1.316 37.705 39.000 0.034 0.000 0.939 110 F HN -0.015 nan 8.300 nan 0.000 0.833 111 P HA -0.125 nan 4.420 nan 0.000 0.241 111 P C 0.482 177.820 177.300 0.063 0.000 1.191 111 P CA 0.670 63.823 63.100 0.088 0.000 0.771 111 P CB 0.225 31.954 31.700 0.048 0.000 0.929 112 E N 0.137 120.377 120.200 0.066 0.000 2.465 112 E HA 0.052 4.402 4.350 0.001 0.000 0.260 112 E C -1.071 175.555 176.600 0.044 0.000 0.980 112 E CA -0.073 56.348 56.400 0.036 0.000 0.927 112 E CB 0.182 29.906 29.700 0.041 0.000 0.934 112 E HN 0.059 nan 8.360 nan 0.000 0.459 113 C N 4.976 124.273 119.300 -0.005 0.000 2.481 113 C HA 0.317 4.778 4.460 0.001 0.000 0.324 113 C C -1.000 173.939 174.990 -0.084 0.000 1.170 113 C CA -0.495 58.527 59.018 0.007 0.000 1.361 113 C CB 1.160 28.914 27.740 0.023 0.000 1.977 113 C HN 0.913 nan 8.230 nan 0.000 0.459 114 Q N 4.985 124.806 119.800 0.036 0.000 2.368 114 Q HA 0.459 4.800 4.340 0.001 0.000 0.263 114 Q C -1.409 174.736 176.000 0.241 0.000 1.009 114 Q CA -0.389 55.448 55.803 0.057 0.000 0.818 114 Q CB 0.687 29.482 28.738 0.095 0.000 1.239 114 Q HN 0.745 nan 8.270 nan 0.000 0.464 115 Y N 3.557 123.925 120.300 0.113 0.000 2.379 115 Y HA 0.264 4.814 4.550 0.001 0.000 0.337 115 Y C 0.210 176.178 175.900 0.114 0.000 1.238 115 Y CA -0.726 57.386 58.100 0.021 0.000 1.405 115 Y CB 0.426 38.876 38.460 -0.016 0.000 1.310 115 Y HN 0.551 nan 8.280 nan 0.000 0.569 116 W N -0.204 121.190 121.300 0.157 0.000 3.025 116 W HA 0.727 5.388 4.660 0.001 0.000 0.343 116 W C -0.761 175.771 176.519 0.022 0.000 1.246 116 W CA -1.101 56.276 57.345 0.053 0.000 1.178 116 W CB 1.099 30.549 29.460 -0.017 0.000 1.463 116 W HN 0.725 nan 8.180 nan 0.000 0.578 117 G N 0.232 109.285 108.800 0.421 0.000 3.187 117 G HA2 0.299 4.260 3.960 0.001 0.000 0.175 117 G HA3 0.299 4.260 3.960 0.001 0.000 0.175 117 G C 0.565 175.723 174.900 0.431 0.000 1.112 117 G CA 0.211 45.498 45.100 0.312 0.000 0.821 117 G HN 0.638 nan 8.290 nan 0.000 0.636 118 S N 0.404 116.281 115.700 0.296 0.000 2.447 118 S HA -0.096 4.375 4.470 0.001 0.000 0.233 118 S C 1.590 176.377 174.600 0.311 0.000 1.006 118 S CA 1.817 60.210 58.200 0.322 0.000 0.957 118 S CB -0.115 63.207 63.200 0.203 0.000 0.773 118 S HN 0.639 nan 8.310 nan 0.000 0.507 119 E N 1.632 121.966 120.200 0.222 0.000 2.463 119 E HA 0.081 4.432 4.350 0.001 0.000 0.191 119 E C 0.377 177.034 176.600 0.095 0.000 1.083 119 E CA -0.425 56.069 56.400 0.157 0.000 0.872 119 E CB -0.770 29.000 29.700 0.118 0.000 0.966 119 E HN 0.534 nan 8.360 nan 0.000 0.491 120 L N 2.522 123.766 121.223 0.035 0.000 2.513 120 L HA 0.019 4.360 4.340 0.001 0.000 0.272 120 L C -0.220 176.434 176.870 -0.360 0.000 1.187 120 L CA 0.378 55.022 54.840 -0.326 0.000 0.895 120 L CB 0.573 42.066 42.059 -0.945 0.000 1.147 120 L HN -0.089 nan 8.230 nan 0.000 0.483 121 Q N 5.321 124.951 119.800 -0.282 0.000 2.390 121 Q HA 0.220 4.561 4.340 0.001 0.000 0.249 121 Q C -0.654 175.142 176.000 -0.340 0.000 0.996 121 Q CA -0.771 54.907 55.803 -0.208 0.000 0.899 121 Q CB 1.207 29.888 28.738 -0.096 0.000 1.216 121 Q HN 0.618 nan 8.270 nan 0.000 0.465 122 L N 6.194 127.185 121.223 -0.387 0.000 2.698 122 L HA 0.112 4.452 4.340 0.001 0.000 0.272 122 L C -2.220 174.512 176.870 -0.231 0.000 1.154 122 L CA -0.947 53.636 54.840 -0.427 0.000 0.964 122 L CB -0.157 41.718 42.059 -0.307 0.000 1.272 122 L HN 0.292 nan 8.230 nan 0.000 0.483 123 P HA 0.127 nan 4.420 nan 0.000 0.264 123 P C -1.088 176.189 177.300 -0.038 0.000 1.183 123 P CA 0.237 63.277 63.100 -0.100 0.000 0.763 123 P CB 0.473 32.122 31.700 -0.085 0.000 0.807 124 T N 3.592 118.149 114.554 0.006 0.000 2.916 124 T HA 0.653 5.004 4.350 0.001 0.000 0.298 124 T C -0.526 174.211 174.700 0.063 0.000 1.031 124 T CA -0.474 61.647 62.100 0.035 0.000 0.993 124 T CB 0.698 69.578 68.868 0.020 0.000 1.045 124 T HN 0.130 nan 8.240 nan 0.000 0.454 125 L N 1.416 122.683 121.223 0.075 0.000 2.409 125 L HA 0.587 4.927 4.340 0.001 0.000 0.255 125 L C -0.751 176.141 176.870 0.037 0.000 1.027 125 L CA -1.238 53.648 54.840 0.077 0.000 0.834 125 L CB 2.206 44.336 42.059 0.118 0.000 1.426 125 L HN 0.542 nan 8.230 nan 0.000 0.411 126 D N -0.398 120.013 120.400 0.017 0.000 2.350 126 D HA 0.109 4.750 4.640 0.001 0.000 0.249 126 D C 0.583 176.867 176.300 -0.027 0.000 1.119 126 D CA -0.037 53.965 54.000 0.004 0.000 0.886 126 D CB 0.947 41.736 40.800 -0.019 0.000 1.195 126 D HN 0.350 nan 8.370 nan 0.000 0.437 127 F N 3.074 122.929 119.950 -0.158 0.000 2.046 127 F HA -0.175 4.353 4.527 0.001 0.000 0.297 127 F C 1.972 177.633 175.800 -0.231 0.000 1.123 127 F CA 1.562 59.428 58.000 -0.225 0.000 1.199 127 F CB 0.060 38.947 39.000 -0.188 0.000 0.972 127 F HN 0.471 nan 8.300 nan 0.000 0.474 128 E N 0.323 120.451 120.200 -0.120 0.000 2.110 128 E HA -0.201 4.149 4.350 0.001 0.000 0.193 128 E C 1.951 178.364 176.600 -0.312 0.000 0.988 128 E CA 1.395 57.649 56.400 -0.243 0.000 0.804 128 E CB -0.605 29.044 29.700 -0.086 0.000 0.745 128 E HN 0.484 nan 8.360 nan 0.000 0.458 129 D N 0.346 120.621 120.400 -0.209 0.000 2.116 129 D HA -0.137 4.503 4.640 0.001 0.000 0.193 129 D C 2.097 178.283 176.300 -0.191 0.000 0.998 129 D CA 0.853 54.738 54.000 -0.191 0.000 0.836 129 D CB -0.266 40.306 40.800 -0.380 0.000 0.951 129 D HN 0.011 nan 8.370 nan 0.000 0.449 130 V N 0.631 120.400 119.914 -0.242 0.000 2.343 130 V HA -0.204 3.917 4.120 0.001 0.000 0.247 130 V C 2.410 178.284 176.094 -0.367 0.000 1.051 130 V CA 0.928 63.076 62.300 -0.254 0.000 1.036 130 V CB -0.294 31.234 31.823 -0.491 0.000 0.654 130 V HN 0.152 nan 8.190 nan 0.000 0.451 131 L N -0.457 120.439 121.223 -0.544 0.000 2.131 131 L HA -0.108 4.233 4.340 0.001 0.000 0.210 131 L C 2.446 179.056 176.870 -0.433 0.000 1.092 131 L CA 1.912 56.437 54.840 -0.526 0.000 0.759 131 L CB -0.744 40.949 42.059 -0.610 0.000 0.903 131 L HN 0.256 nan 8.230 nan 0.000 0.435 132 R N -2.895 117.264 120.500 -0.568 0.000 2.167 132 R HA 0.110 4.451 4.340 0.001 0.000 0.201 132 R C -0.475 175.409 176.300 -0.694 0.000 1.024 132 R CA 0.217 55.833 56.100 -0.806 0.000 1.053 132 R CB 0.323 29.776 30.300 -1.410 0.000 0.987 132 R HN 0.129 nan 8.270 nan 0.000 0.493 133 Y N 0.310 120.605 120.300 -0.009 0.000 2.350 133 Y HA 0.225 4.775 4.550 0.001 0.000 0.338 133 Y C 0.398 176.362 175.900 0.107 0.000 0.961 133 Y CA -1.586 56.561 58.100 0.078 0.000 1.100 133 Y CB 1.291 39.869 38.460 0.197 0.000 1.179 133 Y HN -0.187 nan 8.280 nan 0.000 0.454 134 D N 1.191 121.714 120.400 0.205 0.000 2.116 134 D HA -0.214 4.427 4.640 0.001 0.000 0.193 134 D C 1.679 178.092 176.300 0.187 0.000 0.998 134 D CA 1.722 55.812 54.000 0.150 0.000 0.836 134 D CB 0.151 41.004 40.800 0.088 0.000 0.951 134 D HN 0.848 nan 8.370 nan 0.000 0.449 135 E N -0.583 119.710 120.200 0.155 0.000 2.085 135 E HA -0.202 4.149 4.350 0.001 0.000 0.194 135 E C 2.046 178.681 176.600 0.057 0.000 0.994 135 E CA 1.007 57.453 56.400 0.077 0.000 0.801 135 E CB 0.118 29.777 29.700 -0.069 0.000 0.743 135 E HN 0.484 nan 8.360 nan 0.000 0.453 136 H N -1.000 118.188 119.070 0.196 0.000 2.372 136 H HA 0.024 4.581 4.556 0.001 0.000 0.301 136 H C 2.072 177.517 175.328 0.196 0.000 1.065 136 H CA 1.099 57.250 56.048 0.172 0.000 1.364 136 H CB -0.128 29.728 29.762 0.157 0.000 1.406 136 H HN 0.236 nan 8.280 nan 0.000 0.521 137 A N 1.152 124.154 122.820 0.302 0.000 1.908 137 A HA -0.242 4.079 4.320 0.001 0.000 0.218 137 A C 2.269 180.081 177.584 0.379 0.000 1.181 137 A CA 1.587 53.823 52.037 0.332 0.000 0.627 137 A CB -0.996 18.134 19.000 0.217 0.000 0.818 137 A HN 0.459 nan 8.150 nan 0.000 0.445 138 Y N 0.776 121.175 120.300 0.166 0.000 2.145 138 Y HA -0.196 4.354 4.550 0.001 0.000 0.286 138 Y C 2.304 178.264 175.900 0.100 0.000 1.145 138 Y CA 2.372 60.533 58.100 0.101 0.000 1.148 138 Y CB -0.363 38.137 38.460 0.066 0.000 0.981 138 Y HN 0.263 nan 8.280 nan 0.000 0.507 139 K N -0.011 120.394 120.400 0.009 0.000 2.032 139 K HA -0.256 4.065 4.320 0.001 0.000 0.209 139 K C 1.960 178.571 176.600 0.018 0.000 1.048 139 K CA 2.022 58.272 56.287 -0.061 0.000 0.927 139 K CB -1.227 31.302 32.500 0.049 0.000 0.712 139 K HN 0.541 nan 8.250 nan 0.000 0.441 140 W N 0.977 122.252 121.300 -0.041 0.000 2.317 140 W HA -0.181 4.479 4.660 0.001 0.000 0.318 140 W C 1.496 177.996 176.519 -0.032 0.000 1.227 140 W CA 1.934 59.271 57.345 -0.012 0.000 1.269 140 W CB -0.553 28.924 29.460 0.027 0.000 1.155 140 W HN 0.095 nan 8.180 nan 0.000 0.484 141 L N 0.802 121.855 121.223 -0.284 0.000 2.109 141 L HA -0.180 4.160 4.340 0.001 0.000 0.207 141 L C 2.813 179.479 176.870 -0.341 0.000 1.086 141 L CA 1.657 56.208 54.840 -0.482 0.000 0.760 141 L CB -1.272 40.600 42.059 -0.312 0.000 0.910 141 L HN 0.152 nan 8.230 nan 0.000 0.437 142 S N -1.527 113.946 115.700 -0.378 0.000 2.402 142 S HA -0.152 4.319 4.470 0.001 0.000 0.229 142 S C 1.890 176.389 174.600 -0.168 0.000 1.021 142 S CA 1.514 59.510 58.200 -0.339 0.000 0.974 142 S CB -0.648 62.230 63.200 -0.537 0.000 0.800 142 S HN 0.334 nan 8.310 nan 0.000 0.484 143 T N 2.857 117.322 114.554 -0.148 0.000 2.777 143 T HA 0.076 4.427 4.350 0.001 0.000 0.266 143 T C 1.671 176.342 174.700 -0.049 0.000 1.040 143 T CA 1.173 63.231 62.100 -0.069 0.000 1.141 143 T CB -0.604 68.244 68.868 -0.033 0.000 0.868 143 T HN 0.300 nan 8.240 nan 0.000 0.444 144 L N 1.582 122.735 121.223 -0.117 0.000 2.013 144 L HA -0.099 4.242 4.340 0.001 0.000 0.212 144 L C 2.267 179.204 176.870 0.111 0.000 1.073 144 L CA 1.944 56.747 54.840 -0.062 0.000 0.753 144 L CB -0.526 41.375 42.059 -0.263 0.000 0.890 144 L HN 0.036 nan 8.230 nan 0.000 0.432 145 K N -0.182 120.274 120.400 0.095 0.000 2.097 145 K HA -0.198 4.122 4.320 0.001 0.000 0.205 145 K C 2.257 178.906 176.600 0.082 0.000 1.050 145 K CA 1.808 58.159 56.287 0.107 0.000 0.938 145 K CB -0.225 32.271 32.500 -0.005 0.000 0.718 145 K HN 0.384 nan 8.250 nan 0.000 0.442 146 K N -0.761 119.681 120.400 0.069 0.000 2.076 146 K HA 0.002 4.323 4.320 0.001 0.000 0.204 146 K C 1.425 178.110 176.600 0.141 0.000 1.051 146 K CA 1.179 57.520 56.287 0.089 0.000 0.949 146 K CB 0.294 32.828 32.500 0.056 0.000 0.726 146 K HN 0.025 nan 8.250 nan 0.000 0.443 147 V N -1.074 118.923 119.914 0.139 0.000 3.085 147 V HA 0.201 4.321 4.120 0.001 0.000 0.245 147 V C 1.306 177.595 176.094 0.324 0.000 1.114 147 V CA 0.897 63.323 62.300 0.209 0.000 1.108 147 V CB 0.723 32.568 31.823 0.037 0.000 0.798 147 V HN 0.643 nan 8.190 nan 0.000 0.471 148 G N 0.549 109.483 108.800 0.224 0.000 2.194 148 G HA2 -0.228 3.732 3.960 0.001 0.000 0.236 148 G HA3 -0.228 3.732 3.960 0.001 0.000 0.236 148 G C -0.034 175.009 174.900 0.237 0.000 0.987 148 G CA 0.274 45.532 45.100 0.264 0.000 0.635 148 G HN 0.481 nan 8.290 nan 0.000 0.520 149 I N -0.061 120.574 120.570 0.108 0.000 2.787 149 I HA 0.587 4.758 4.170 0.001 0.000 0.294 149 I C -1.343 174.750 176.117 -0.040 0.000 1.365 149 I CA -1.050 60.272 61.300 0.038 0.000 1.029 149 I CB 2.147 40.094 38.000 -0.089 0.000 1.313 149 I HN 0.076 nan 8.210 nan 0.000 0.431 150 V N 6.306 126.240 119.914 0.033 0.000 2.932 150 V HA 0.536 4.657 4.120 0.001 0.000 0.307 150 V C -0.599 175.582 176.094 0.144 0.000 1.147 150 V CA -0.731 61.620 62.300 0.085 0.000 0.951 150 V CB 2.068 34.027 31.823 0.226 0.000 1.031 150 V HN 0.770 nan 8.190 nan 0.000 0.426 151 R N 3.313 123.861 120.500 0.079 0.000 2.407 151 R HA 0.769 5.109 4.340 0.001 0.000 0.303 151 R C -1.555 174.810 176.300 0.109 0.000 0.981 151 R CA -0.603 55.546 56.100 0.082 0.000 0.905 151 R CB 1.146 31.449 30.300 0.005 0.000 1.099 151 R HN 0.743 nan 8.270 nan 0.000 0.459 152 L N 4.057 125.344 121.223 0.106 0.000 2.296 152 L HA 0.433 4.773 4.340 0.001 0.000 0.286 152 L C 0.125 177.032 176.870 0.061 0.000 1.023 152 L CA -0.809 54.071 54.840 0.067 0.000 0.812 152 L CB 1.948 44.041 42.059 0.057 0.000 1.223 152 L HN 0.793 nan 8.230 nan 0.000 0.421 153 T N -1.835 112.751 114.554 0.053 0.000 2.945 153 T HA 0.647 4.997 4.350 0.001 0.000 0.286 153 T C 0.801 175.517 174.700 0.027 0.000 1.025 153 T CA -0.028 62.091 62.100 0.031 0.000 1.039 153 T CB 1.832 70.720 68.868 0.034 0.000 1.068 153 T HN 0.921 nan 8.240 nan 0.000 0.497 154 G N -0.007 108.785 108.800 -0.013 0.000 2.132 154 G HA2 0.130 4.091 3.960 0.001 0.000 0.228 154 G HA3 0.130 4.091 3.960 0.001 0.000 0.228 154 G C 0.281 175.137 174.900 -0.074 0.000 1.000 154 G CA -0.026 45.067 45.100 -0.013 0.000 0.693 154 G HN 1.356 nan 8.290 nan 0.000 0.515 155 A N -0.009 122.626 122.820 -0.308 0.000 2.296 155 A HA 0.856 5.176 4.320 0.001 0.000 0.264 155 A C 1.231 178.644 177.584 -0.285 0.000 1.097 155 A CA 0.856 52.485 52.037 -0.681 0.000 0.811 155 A CB 0.393 18.518 19.000 -1.459 0.000 1.072 155 A HN 2.008 nan 8.150 nan 0.000 0.495 156 S N -0.342 115.214 115.700 -0.240 0.000 2.617 156 S HA 0.242 4.712 4.470 0.001 0.000 0.259 156 S C 0.167 174.785 174.600 0.030 0.000 1.301 156 S CA 0.248 58.403 58.200 -0.074 0.000 0.984 156 S CB 0.563 63.733 63.200 -0.050 0.000 0.954 156 S HN 0.726 nan 8.310 nan 0.000 0.572 157 D N -1.050 119.362 120.400 0.020 0.000 2.395 157 D HA 0.191 4.832 4.640 0.001 0.000 0.226 157 D C -0.134 176.161 176.300 -0.007 0.000 1.146 157 D CA -0.243 53.758 54.000 0.002 0.000 0.830 157 D CB -0.294 40.479 40.800 -0.045 0.000 0.958 157 D HN 0.442 nan 8.370 nan 0.000 0.501 158 K N 1.245 121.679 120.400 0.057 0.000 2.118 158 K HA 0.409 4.729 4.320 0.001 0.000 0.254 158 K C -2.496 174.164 176.600 0.100 0.000 0.961 158 K CA -2.066 54.237 56.287 0.027 0.000 0.876 158 K CB 1.421 33.924 32.500 0.005 0.000 1.077 158 K HN -0.019 nan 8.250 nan 0.000 0.440 159 P HA -0.029 nan 4.420 nan 0.000 0.270 159 P C 0.470 177.818 177.300 0.080 0.000 1.223 159 P CA 0.438 63.596 63.100 0.098 0.000 0.785 159 P CB 0.608 32.345 31.700 0.062 0.000 0.923 160 G N 1.045 109.900 108.800 0.092 0.000 2.218 160 G HA2 -0.193 3.767 3.960 0.001 0.000 0.216 160 G HA3 -0.193 3.767 3.960 0.001 0.000 0.216 160 G C 0.945 175.874 174.900 0.048 0.000 0.994 160 G CA -0.165 44.972 45.100 0.062 0.000 0.637 160 G HN 0.486 nan 8.290 nan 0.000 0.505 161 E N 0.454 120.646 120.200 -0.013 0.000 2.152 161 E HA 0.025 4.375 4.350 0.001 0.000 0.192 161 E C 2.683 179.300 176.600 0.029 0.000 0.983 161 E CA 1.320 57.647 56.400 -0.122 0.000 0.818 161 E CB -0.195 29.086 29.700 -0.699 0.000 0.758 161 E HN 0.465 nan 8.360 nan 0.000 0.467 162 V N 1.187 121.134 119.914 0.055 0.000 2.307 162 V HA -0.211 3.910 4.120 0.001 0.000 0.245 162 V C 2.586 178.845 176.094 0.275 0.000 1.045 162 V CA 1.889 64.280 62.300 0.152 0.000 1.024 162 V CB -0.584 31.292 31.823 0.088 0.000 0.651 162 V HN 0.251 nan 8.190 nan 0.000 0.449 163 S N -0.531 115.310 115.700 0.235 0.000 2.368 163 S HA -0.281 4.190 4.470 0.001 0.000 0.225 163 S C 2.156 176.844 174.600 0.147 0.000 1.030 163 S CA 2.145 60.496 58.200 0.253 0.000 0.999 163 S CB -0.299 63.002 63.200 0.168 0.000 0.844 163 S HN 0.591 nan 8.310 nan 0.000 0.459 164 K N 0.067 120.530 120.400 0.106 0.000 2.026 164 K HA -0.115 4.206 4.320 0.001 0.000 0.208 164 K C 2.199 178.800 176.600 0.001 0.000 1.048 164 K CA 1.565 57.882 56.287 0.051 0.000 0.929 164 K CB -0.383 32.162 32.500 0.074 0.000 0.713 164 K HN 0.406 nan 8.250 nan 0.000 0.439 165 L N 0.861 122.119 121.223 0.058 0.000 2.046 165 L HA -0.033 4.307 4.340 0.001 0.000 0.208 165 L C 2.148 178.960 176.870 -0.096 0.000 1.077 165 L CA 2.285 57.087 54.840 -0.062 0.000 0.747 165 L CB -0.996 41.100 42.059 0.061 0.000 0.896 165 L HN 0.279 nan 8.230 nan 0.000 0.432 166 G N -0.715 108.134 108.800 0.081 0.000 2.446 166 G HA2 -0.347 3.613 3.960 0.001 0.000 0.217 166 G HA3 -0.347 3.613 3.960 0.001 0.000 0.217 166 G C 1.715 176.485 174.900 -0.216 0.000 1.168 166 G CA 0.923 45.985 45.100 -0.062 0.000 0.771 166 G HN 0.451 nan 8.290 nan 0.000 0.551 167 K N 0.065 120.390 120.400 -0.124 0.000 2.032 167 K HA -0.146 4.174 4.320 0.001 0.000 0.209 167 K C 2.594 179.098 176.600 -0.160 0.000 1.048 167 K CA 1.374 57.589 56.287 -0.120 0.000 0.927 167 K CB -0.119 32.342 32.500 -0.065 0.000 0.712 167 K HN 0.136 nan 8.250 nan 0.000 0.441 168 R N 0.408 120.794 120.500 -0.189 0.000 2.096 168 R HA -0.016 4.325 4.340 0.001 0.000 0.235 168 R C 1.853 177.996 176.300 -0.263 0.000 1.127 168 R CA 1.561 57.531 56.100 -0.216 0.000 0.968 168 R CB -0.159 29.988 30.300 -0.254 0.000 0.861 168 R HN 0.259 nan 8.270 nan 0.000 0.440 169 M N -1.012 118.344 119.600 -0.407 0.000 2.556 169 M HA 0.282 4.763 4.480 0.001 0.000 0.245 169 M C 0.999 177.057 176.300 -0.403 0.000 1.128 169 M CA 1.017 55.980 55.300 -0.562 0.000 1.069 169 M CB -0.464 31.340 32.600 -1.327 0.000 1.469 169 M HN 0.427 nan 8.290 nan 0.000 0.494 170 G N 1.070 109.711 108.800 -0.265 0.000 2.160 170 G HA2 -0.250 3.711 3.960 0.001 0.000 0.251 170 G HA3 -0.250 3.711 3.960 0.001 0.000 0.251 170 G C -0.064 174.845 174.900 0.016 0.000 1.008 170 G CA -0.267 44.772 45.100 -0.102 0.000 0.724 170 G HN 0.300 nan 8.290 nan 0.000 0.514 171 F N -0.109 119.750 119.950 -0.153 0.000 2.506 171 F HA 0.529 5.057 4.527 0.001 0.000 0.351 171 F C 1.263 176.861 175.800 -0.336 0.000 1.136 171 F CA -0.915 56.946 58.000 -0.232 0.000 1.298 171 F CB 0.493 39.304 39.000 -0.315 0.000 1.145 171 F HN -0.002 nan 8.300 nan 0.000 0.593 172 L N 3.388 124.585 121.223 -0.043 0.000 2.317 172 L HA 0.393 4.734 4.340 0.001 0.000 0.281 172 L C -0.893 175.949 176.870 -0.047 0.000 1.024 172 L CA -0.950 53.837 54.840 -0.090 0.000 0.810 172 L CB 1.224 43.284 42.059 0.001 0.000 1.240 172 L HN 0.349 nan 8.230 nan 0.000 0.427 173 Y N 2.124 122.476 120.300 0.086 0.000 2.419 173 Y HA 0.525 5.076 4.550 0.001 0.000 0.328 173 Y C 0.214 176.153 175.900 0.066 0.000 1.162 173 Y CA -1.087 57.055 58.100 0.070 0.000 1.174 173 Y CB 1.340 39.862 38.460 0.103 0.000 1.228 173 Y HN 0.322 nan 8.280 nan 0.000 0.473 174 L N 1.864 123.240 121.223 0.255 0.000 2.399 174 L HA 0.607 4.948 4.340 0.001 0.000 0.266 174 L C 0.191 177.120 176.870 0.098 0.000 1.114 174 L CA -0.573 54.377 54.840 0.183 0.000 0.804 174 L CB 1.208 43.408 42.059 0.236 0.000 1.146 174 L HN 0.754 nan 8.230 nan 0.000 0.451 175 T N -0.716 113.868 114.554 0.051 0.000 2.900 175 T HA 0.812 5.163 4.350 0.001 0.000 0.295 175 T C -0.743 173.872 174.700 -0.142 0.000 1.044 175 T CA -0.655 61.352 62.100 -0.155 0.000 0.995 175 T CB 1.837 70.633 68.868 -0.120 0.000 1.072 175 T HN 0.459 nan 8.240 nan 0.000 0.473 176 F N -1.584 118.202 119.950 -0.273 0.000 2.807 176 F HA 0.627 5.154 4.527 0.001 0.000 0.316 176 F C -1.795 173.726 175.800 -0.465 0.000 1.162 176 F CA -2.108 55.624 58.000 -0.447 0.000 0.910 176 F CB 0.430 39.184 39.000 -0.410 0.000 1.314 176 F HN 0.531 nan 8.300 nan 0.000 0.454 177 Y N 1.592 121.772 120.300 -0.200 0.000 2.632 177 Y HA 0.411 4.961 4.550 0.001 0.000 0.329 177 Y C 1.323 176.954 175.900 -0.448 0.000 1.174 177 Y CA 0.975 58.723 58.100 -0.586 0.000 1.469 177 Y CB 0.227 37.902 38.460 -1.307 0.000 1.242 177 Y HN 1.087 nan 8.280 nan 0.000 0.540 178 G N 1.505 110.214 108.800 -0.153 0.000 2.213 178 G HA2 -0.256 3.704 3.960 0.001 0.000 0.226 178 G HA3 -0.256 3.704 3.960 0.001 0.000 0.226 178 G C 0.094 174.968 174.900 -0.044 0.000 0.992 178 G CA 0.114 45.248 45.100 0.057 0.000 0.632 178 G HN 0.758 nan 8.290 nan 0.000 0.511 179 H N 0.271 119.050 119.070 -0.485 0.000 2.806 179 H HA 0.364 4.920 4.556 0.001 0.000 0.218 179 H C 1.190 176.161 175.328 -0.596 0.000 1.392 179 H CA 0.579 56.269 56.048 -0.597 0.000 1.358 179 H CB 0.186 29.275 29.762 -1.120 0.000 1.944 179 H HN 0.111 nan 8.280 nan 0.000 0.530 180 T N 0.436 114.768 114.554 -0.370 0.000 2.951 180 T HA -0.058 4.292 4.350 0.001 0.000 0.268 180 T C 0.588 174.971 174.700 -0.527 0.000 1.073 180 T CA 0.963 62.778 62.100 -0.476 0.000 1.134 180 T CB 0.097 68.674 68.868 -0.486 0.000 0.884 180 T HN 0.339 nan 8.240 nan 0.000 0.479 181 W N 1.390 122.657 121.300 -0.054 0.000 2.381 181 W HA 0.399 5.059 4.660 0.001 0.000 0.329 181 W C 1.506 178.053 176.519 0.047 0.000 1.157 181 W CA -1.120 56.212 57.345 -0.020 0.000 1.240 181 W CB 0.771 30.212 29.460 -0.032 0.000 1.199 181 W HN -0.026 nan 8.180 nan 0.000 0.579 182 Q N 0.599 120.618 119.800 0.365 0.000 2.061 182 Q HA -0.139 4.201 4.340 0.001 0.000 0.204 182 Q C 0.183 176.354 176.000 0.285 0.000 0.984 182 Q CA 1.020 57.017 55.803 0.324 0.000 0.846 182 Q CB -0.229 28.721 28.738 0.354 0.000 0.902 182 Q HN 0.268 nan 8.270 nan 0.000 0.421 183 V N 0.728 120.776 119.914 0.224 0.000 2.417 183 V HA 0.299 4.419 4.120 0.001 0.000 0.291 183 V C -0.555 175.587 176.094 0.079 0.000 1.024 183 V CA -0.536 61.835 62.300 0.119 0.000 0.861 183 V CB 1.544 33.422 31.823 0.091 0.000 0.985 183 V HN 0.164 nan 8.190 nan 0.000 0.436 184 Q N 1.885 121.680 119.800 -0.008 0.000 2.423 184 Q HA 0.447 4.787 4.340 0.001 0.000 0.278 184 Q C -1.452 174.517 176.000 -0.051 0.000 1.097 184 Q CA -0.865 54.889 55.803 -0.081 0.000 0.809 184 Q CB 2.539 31.051 28.738 -0.377 0.000 1.391 184 Q HN 0.786 nan 8.270 nan 0.000 0.428 185 D N 1.748 122.115 120.400 -0.055 0.000 2.389 185 D HA 0.142 4.783 4.640 0.001 0.000 0.247 185 D C -0.547 175.715 176.300 -0.063 0.000 1.128 185 D CA 0.134 54.074 54.000 -0.099 0.000 0.884 185 D CB 0.919 41.605 40.800 -0.190 0.000 1.194 185 D HN 0.119 nan 8.370 nan 0.000 0.441 200 S N 4.668 120.278 115.700 -0.150 0.000 2.609 200 S HA 0.577 5.047 4.470 0.001 0.000 0.250 200 S C -0.952 173.659 174.600 0.018 0.000 1.112 200 S CA -0.382 57.798 58.200 -0.034 0.000 1.102 200 S CB 0.103 63.304 63.200 0.002 0.000 1.124 200 S HN 0.371 nan 8.310 nan 0.000 0.460 201 F N 6.667 126.674 119.950 0.095 0.000 2.608 201 F HA 0.283 4.810 4.527 0.001 0.000 0.380 201 F C 1.385 177.253 175.800 0.113 0.000 1.083 201 F CA 0.735 58.759 58.000 0.039 0.000 1.266 201 F CB 0.451 39.456 39.000 0.009 0.000 1.076 201 F HN 0.603 nan 8.300 nan 0.000 0.574 202 H N -0.408 118.696 119.070 0.057 0.000 3.037 202 H HA 0.451 5.008 4.556 0.001 0.000 0.355 202 H C -0.909 174.400 175.328 -0.033 0.000 1.263 202 H CA -1.019 55.003 56.048 -0.043 0.000 1.129 202 H CB 0.954 30.586 29.762 -0.216 0.000 1.861 202 H HN 0.490 nan 8.280 nan 0.000 0.546 203 T N -0.535 114.084 114.554 0.107 0.000 2.902 203 T HA 0.273 4.624 4.350 0.001 0.000 0.280 203 T C -0.254 174.558 174.700 0.187 0.000 0.992 203 T CA -0.798 61.397 62.100 0.159 0.000 1.015 203 T CB 1.107 70.061 68.868 0.144 0.000 1.044 203 T HN 0.469 nan 8.240 nan 0.000 0.520 204 D N 0.926 121.473 120.400 0.245 0.000 2.198 204 D HA 0.281 4.921 4.640 0.001 0.000 0.245 204 D C -0.423 175.886 176.300 0.014 0.000 1.079 204 D CA 0.083 54.161 54.000 0.131 0.000 0.854 204 D CB 0.198 41.214 40.800 0.360 0.000 1.148 204 D HN 0.706 nan 8.370 nan 0.000 0.456 205 Y N -0.158 120.140 120.300 -0.003 0.000 3.234 205 Y HA -0.184 4.366 4.550 0.001 0.000 0.207 205 Y C -1.354 174.452 175.900 -0.156 0.000 1.316 205 Y CA -0.206 57.832 58.100 -0.103 0.000 1.309 205 Y CB -1.687 36.605 38.460 -0.281 0.000 1.408 205 Y HN 0.472 nan 8.280 nan 0.000 0.544 206 P HA -0.066 nan 4.420 nan 0.000 0.230 206 P C 1.322 178.611 177.300 -0.018 0.000 1.158 206 P CA 1.615 64.538 63.100 -0.295 0.000 0.769 206 P CB 0.171 31.384 31.700 -0.811 0.000 0.807 207 A N -0.034 122.859 122.820 0.122 0.000 2.067 207 A HA -0.024 4.297 4.320 0.001 0.000 0.219 207 A C 1.408 179.120 177.584 0.213 0.000 1.158 207 A CA 0.447 52.633 52.037 0.248 0.000 0.661 207 A CB -1.070 18.091 19.000 0.268 0.000 0.801 207 A HN 0.185 nan 8.150 nan 0.000 0.452 208 L N -0.878 120.442 121.223 0.161 0.000 2.426 208 L HA 0.107 4.447 4.340 0.001 0.000 0.271 208 L C 1.542 178.576 176.870 0.273 0.000 1.169 208 L CA -0.201 54.720 54.840 0.136 0.000 0.836 208 L CB 0.457 42.491 42.059 -0.041 0.000 1.112 208 L HN 0.523 nan 8.230 nan 0.000 0.465 209 H N 1.236 120.397 119.070 0.152 0.000 2.387 209 H HA -0.190 4.366 4.556 0.001 0.000 0.299 209 H C 0.453 175.958 175.328 0.294 0.000 1.099 209 H CA 1.663 57.817 56.048 0.176 0.000 1.315 209 H CB 0.198 30.024 29.762 0.107 0.000 1.380 209 H HN 0.580 nan 8.280 nan 0.000 0.513 210 H N 0.042 119.270 119.070 0.264 0.000 2.541 210 H HA 0.314 4.871 4.556 0.001 0.000 0.246 210 H C -2.640 172.764 175.328 0.126 0.000 1.341 210 H CA -2.787 53.382 56.048 0.202 0.000 1.469 210 H CB 0.329 30.234 29.762 0.238 0.000 1.472 210 H HN 0.155 nan 8.280 nan 0.000 0.503 211 P HA 0.053 nan 4.420 nan 0.000 0.268 211 P C -2.610 174.677 177.300 -0.022 0.000 1.208 211 P CA -1.051 61.984 63.100 -0.107 0.000 0.777 211 P CB 0.195 31.824 31.700 -0.119 0.000 0.875 212 P HA -0.039 nan 4.420 nan 0.000 0.265 212 P C 0.867 178.125 177.300 -0.070 0.000 1.193 212 P CA 0.537 63.499 63.100 -0.231 0.000 0.765 212 P CB 0.533 31.891 31.700 -0.570 0.000 0.823 213 G N 2.493 111.117 108.800 -0.293 0.000 2.395 213 G HA2 0.063 4.023 3.960 0.001 0.000 0.214 213 G HA3 0.063 4.023 3.960 0.001 0.000 0.214 213 G C 0.013 174.478 174.900 -0.724 0.000 1.177 213 G CA 0.380 45.025 45.100 -0.759 0.000 0.794 213 G HN 0.464 nan 8.290 nan 0.000 0.532 214 V N 0.151 119.660 119.914 -0.676 0.000 2.638 214 V HA 0.442 4.562 4.120 0.001 0.000 0.306 214 V C -0.763 175.057 176.094 -0.456 0.000 1.052 214 V CA -0.787 61.088 62.300 -0.708 0.000 0.885 214 V CB 1.893 33.093 31.823 -1.039 0.000 0.999 214 V HN 0.357 nan 8.190 nan 0.000 0.424 215 Q N 3.153 122.571 119.800 -0.635 0.000 2.282 215 Q HA 0.735 5.075 4.340 0.001 0.000 0.260 215 Q C -1.897 173.784 176.000 -0.532 0.000 0.964 215 Q CA -0.788 54.561 55.803 -0.756 0.000 0.880 215 Q CB 1.847 29.949 28.738 -1.060 0.000 1.286 215 Q HN 0.653 nan 8.270 nan 0.000 0.445 216 L N 4.438 125.432 121.223 -0.382 0.000 2.319 216 L HA 0.487 4.828 4.340 0.001 0.000 0.281 216 L C -0.947 175.868 176.870 -0.092 0.000 1.005 216 L CA -0.077 54.691 54.840 -0.120 0.000 0.828 216 L CB 1.408 43.474 42.059 0.011 0.000 1.227 216 L HN 0.515 nan 8.230 nan 0.000 0.415 217 L N 3.123 124.369 121.223 0.038 0.000 2.333 217 L HA 0.521 4.861 4.340 0.001 0.000 0.280 217 L C -0.978 175.989 176.870 0.161 0.000 1.004 217 L CA -0.730 54.158 54.840 0.081 0.000 0.820 217 L CB 1.743 43.877 42.059 0.125 0.000 1.247 217 L HN 0.583 nan 8.230 nan 0.000 0.416 218 H N 2.834 121.918 119.070 0.023 0.000 2.539 218 H HA 0.261 4.817 4.556 0.001 0.000 0.332 218 H C -0.974 174.365 175.328 0.017 0.000 1.031 218 H CA -0.724 55.326 56.048 0.004 0.000 1.206 218 H CB 1.525 31.270 29.762 -0.030 0.000 1.446 218 H HN 0.619 nan 8.280 nan 0.000 0.496 219 C N 7.516 126.659 119.300 -0.262 0.000 2.464 219 C HA 0.275 4.736 4.460 0.001 0.000 0.370 219 C C 1.539 176.195 174.990 -0.556 0.000 1.267 219 C CA -0.313 58.534 59.018 -0.285 0.000 1.781 219 C CB -2.094 25.591 27.740 -0.092 0.000 2.431 219 C HN 0.971 nan 8.230 nan 0.000 0.556 220 I N 4.289 124.632 120.570 -0.378 0.000 2.556 220 I HA 0.203 4.373 4.170 0.001 0.000 0.251 220 I C 1.399 177.417 176.117 -0.164 0.000 1.105 220 I CA 0.853 61.977 61.300 -0.292 0.000 1.436 220 I CB -0.193 37.708 38.000 -0.164 0.000 1.139 220 I HN 0.678 nan 8.210 nan 0.000 0.438 221 K N 1.147 121.500 120.400 -0.079 0.000 2.482 221 K HA 0.805 5.125 4.320 0.001 0.000 0.251 221 K C -0.531 176.056 176.600 -0.022 0.000 0.936 221 K CA -0.266 55.991 56.287 -0.050 0.000 0.791 221 K CB 0.533 33.007 32.500 -0.043 0.000 1.213 221 K HN 0.162 nan 8.250 nan 0.000 0.428 229 S N 1.142 116.554 115.700 -0.480 0.000 2.565 229 S HA 0.422 4.892 4.470 0.001 0.000 0.276 229 S C -0.052 174.357 174.600 -0.318 0.000 1.326 229 S CA -0.450 57.465 58.200 -0.474 0.000 1.045 229 S CB 1.033 63.736 63.200 -0.828 0.000 0.918 229 S HN 0.225 nan 8.310 nan 0.000 0.505 230 E N 1.487 121.635 120.200 -0.087 0.000 2.266 230 E HA 0.632 4.982 4.350 0.001 0.000 0.268 230 E C -0.643 176.185 176.600 0.380 0.000 0.879 230 E CA -0.644 55.829 56.400 0.122 0.000 0.762 230 E CB 1.846 31.576 29.700 0.050 0.000 1.199 230 E HN 0.628 nan 8.360 nan 0.000 0.422 231 I N -1.195 119.713 120.570 0.563 0.000 2.865 231 I HA 0.723 4.893 4.170 0.001 0.000 0.302 231 I C -0.724 175.693 176.117 0.500 0.000 1.140 231 I CA -1.251 60.400 61.300 0.586 0.000 1.021 231 I CB 1.924 40.228 38.000 0.506 0.000 1.233 231 I HN 0.309 nan 8.210 nan 0.000 0.427 232 V N -0.315 119.707 119.914 0.179 0.000 2.823 232 V HA 0.544 4.664 4.120 0.001 0.000 0.312 232 V C -0.846 175.014 176.094 -0.390 0.000 1.072 232 V CA -0.474 61.718 62.300 -0.180 0.000 0.937 232 V CB 1.788 33.272 31.823 -0.566 0.000 1.013 232 V HN 0.846 nan 8.190 nan 0.000 0.430 233 D N 2.716 122.516 120.400 -1.000 0.000 2.402 233 D HA 0.328 4.969 4.640 0.001 0.000 0.235 233 D C 1.372 177.333 176.300 -0.565 0.000 1.226 233 D CA 0.815 54.157 54.000 -1.097 0.000 0.918 233 D CB 1.134 40.828 40.800 -1.844 0.000 1.043 233 D HN 0.845 nan 8.370 nan 0.000 0.506 234 G N 3.048 111.646 108.800 -0.335 0.000 2.442 234 G HA2 -0.290 3.671 3.960 0.001 0.000 0.219 234 G HA3 -0.290 3.671 3.960 0.001 0.000 0.219 234 G C 1.221 176.163 174.900 0.070 0.000 1.141 234 G CA 0.380 45.422 45.100 -0.097 0.000 0.763 234 G HN 0.467 nan 8.290 nan 0.000 0.554 235 F N 1.126 120.957 119.950 -0.197 0.000 2.186 235 F HA 0.014 4.542 4.527 0.001 0.000 0.299 235 F C 2.403 177.828 175.800 -0.626 0.000 1.090 235 F CA 0.605 58.448 58.000 -0.262 0.000 1.307 235 F CB -1.094 37.842 39.000 -0.107 0.000 1.019 235 F HN 0.153 nan 8.300 nan 0.000 0.489 236 N N 0.776 119.106 118.700 -0.616 0.000 2.142 236 N HA -0.130 4.610 4.740 0.001 0.000 0.186 236 N C 1.899 177.188 175.510 -0.368 0.000 1.023 236 N CA 1.067 53.679 53.050 -0.730 0.000 0.852 236 N CB -0.328 37.805 38.487 -0.590 0.000 0.998 236 N HN 0.034 nan 8.380 nan 0.000 0.424 237 V N 0.009 119.767 119.914 -0.261 0.000 2.343 237 V HA -0.286 3.835 4.120 0.001 0.000 0.247 237 V C 2.524 178.634 176.094 0.027 0.000 1.051 237 V CA 1.519 63.737 62.300 -0.138 0.000 1.036 237 V CB -0.699 31.003 31.823 -0.203 0.000 0.654 237 V HN 0.457 nan 8.190 nan 0.000 0.451 238 C N -0.723 118.639 119.300 0.103 0.000 2.425 238 C HA -0.167 4.294 4.460 0.001 0.000 0.277 238 C C 2.809 177.830 174.990 0.052 0.000 1.280 238 C CA 1.207 60.345 59.018 0.200 0.000 1.744 238 C CB -0.963 26.917 27.740 0.233 0.000 1.989 238 C HN 0.626 nan 8.230 nan 0.000 0.491 239 Q N 1.313 121.053 119.800 -0.100 0.000 2.084 239 Q HA -0.199 4.141 4.340 0.001 0.000 0.202 239 Q C 2.099 178.019 176.000 -0.133 0.000 0.978 239 Q CA 1.650 57.358 55.803 -0.158 0.000 0.844 239 Q CB -0.162 28.470 28.738 -0.177 0.000 0.898 239 Q HN 0.648 nan 8.270 nan 0.000 0.426 240 K N 0.214 120.552 120.400 -0.103 0.000 2.097 240 K HA -0.151 4.169 4.320 0.001 0.000 0.206 240 K C 2.204 178.778 176.600 -0.044 0.000 1.049 240 K CA 1.033 57.278 56.287 -0.070 0.000 0.933 240 K CB -0.182 32.278 32.500 -0.067 0.000 0.717 240 K HN 0.106 nan 8.250 nan 0.000 0.442 241 L N 2.021 123.248 121.223 0.005 0.000 2.046 241 L HA -0.187 4.154 4.340 0.001 0.000 0.208 241 L C 2.250 179.121 176.870 0.002 0.000 1.077 241 L CA 1.799 56.677 54.840 0.063 0.000 0.747 241 L CB -0.290 41.890 42.059 0.201 0.000 0.896 241 L HN 0.028 nan 8.230 nan 0.000 0.432 242 K N -0.664 119.639 120.400 -0.161 0.000 2.097 242 K HA -0.274 4.046 4.320 0.001 0.000 0.206 242 K C 2.232 178.690 176.600 -0.236 0.000 1.049 242 K CA 1.755 57.779 56.287 -0.439 0.000 0.933 242 K CB -0.007 31.857 32.500 -1.061 0.000 0.717 242 K HN 0.211 nan 8.250 nan 0.000 0.442 243 K N 0.616 120.917 120.400 -0.164 0.000 2.044 243 K HA -0.043 4.277 4.320 0.001 0.000 0.204 243 K C 1.567 178.130 176.600 -0.063 0.000 1.049 243 K CA 1.700 57.924 56.287 -0.105 0.000 0.945 243 K CB 0.047 32.496 32.500 -0.084 0.000 0.724 243 K HN 0.131 nan 8.250 nan 0.000 0.440 244 N N 0.453 119.126 118.700 -0.044 0.000 2.333 244 N HA -0.034 4.706 4.740 0.001 0.000 0.178 244 N C -0.338 175.165 175.510 -0.011 0.000 1.018 244 N CA 0.771 53.807 53.050 -0.023 0.000 0.882 244 N CB 0.130 38.608 38.487 -0.016 0.000 0.984 244 N HN 0.208 nan 8.380 nan 0.000 0.434 245 N N 0.757 119.456 118.700 -0.002 0.000 2.791 245 N HA 0.173 4.913 4.740 0.001 0.000 0.265 245 N C -2.186 173.345 175.510 0.034 0.000 1.580 245 N CA -0.869 52.191 53.050 0.016 0.000 0.809 245 N CB 2.330 40.832 38.487 0.025 0.000 1.178 245 N HN 0.072 nan 8.380 nan 0.000 0.499 246 P HA -0.188 nan 4.420 nan 0.000 0.216 246 P C 1.421 178.773 177.300 0.086 0.000 1.150 246 P CA 1.322 64.442 63.100 0.033 0.000 0.837 246 P CB 0.649 32.345 31.700 -0.006 0.000 0.786 247 Q N 0.597 120.426 119.800 0.048 0.000 2.119 247 Q HA -0.061 4.280 4.340 0.001 0.000 0.201 247 Q C 2.208 178.226 176.000 0.030 0.000 0.972 247 Q CA 1.923 57.749 55.803 0.039 0.000 0.847 247 Q CB -1.358 27.393 28.738 0.022 0.000 0.903 247 Q HN 0.134 nan 8.270 nan 0.000 0.433 248 A N -0.252 122.583 122.820 0.024 0.000 1.908 248 A HA -0.187 4.134 4.320 0.001 0.000 0.218 248 A C 2.040 179.603 177.584 -0.036 0.000 1.181 248 A CA 1.550 53.576 52.037 -0.017 0.000 0.627 248 A CB -1.097 17.898 19.000 -0.009 0.000 0.818 248 A HN 0.579 nan 8.150 nan 0.000 0.445 249 F N 0.700 120.584 119.950 -0.109 0.000 2.134 249 F HA -0.214 4.314 4.527 0.001 0.000 0.299 249 F C 2.477 178.200 175.800 -0.127 0.000 1.097 249 F CA 2.282 60.201 58.000 -0.136 0.000 1.264 249 F CB -0.281 38.657 39.000 -0.104 0.000 1.001 249 F HN 0.368 nan 8.300 nan 0.000 0.479 250 Q N 1.101 120.935 119.800 0.057 0.000 2.050 250 Q HA -0.186 4.154 4.340 0.001 0.000 0.202 250 Q C 1.966 177.888 176.000 -0.130 0.000 0.980 250 Q CA 2.514 58.300 55.803 -0.029 0.000 0.840 250 Q CB -0.791 27.977 28.738 0.051 0.000 0.898 250 Q HN 0.623 nan 8.270 nan 0.000 0.424 251 I N -0.075 120.439 120.570 -0.093 0.000 2.142 251 I HA -0.272 3.899 4.170 0.001 0.000 0.240 251 I C 2.173 178.221 176.117 -0.114 0.000 1.078 251 I CA 1.162 62.425 61.300 -0.063 0.000 1.343 251 I CB -0.268 37.724 38.000 -0.015 0.000 1.046 251 I HN 0.242 nan 8.210 nan 0.000 0.405 252 L N 0.207 121.282 121.223 -0.247 0.000 2.201 252 L HA -0.136 4.205 4.340 0.001 0.000 0.212 252 L C 2.451 179.077 176.870 -0.407 0.000 1.105 252 L CA 1.361 56.001 54.840 -0.333 0.000 0.775 252 L CB -0.535 41.198 42.059 -0.542 0.000 0.913 252 L HN 0.359 nan 8.230 nan 0.000 0.440 253 S N -2.135 113.244 115.700 -0.534 0.000 2.593 253 S HA -0.004 4.466 4.470 0.001 0.000 0.217 253 S C 1.534 175.912 174.600 -0.370 0.000 0.966 253 S CA 0.380 58.254 58.200 -0.543 0.000 0.914 253 S CB 0.085 62.795 63.200 -0.817 0.000 0.776 253 S HN 0.456 nan 8.310 nan 0.000 0.523 254 S N -0.551 114.980 115.700 -0.282 0.000 2.687 254 S HA 0.230 4.700 4.470 0.001 0.000 0.247 254 S C 0.205 174.688 174.600 -0.196 0.000 1.050 254 S CA -0.389 57.681 58.200 -0.217 0.000 1.063 254 S CB 0.034 63.163 63.200 -0.119 0.000 1.039 254 S HN 0.269 nan 8.310 nan 0.000 0.580 255 T N 3.310 117.769 114.554 -0.158 0.000 2.744 255 T HA 0.522 4.873 4.350 0.001 0.000 0.291 255 T C -0.924 173.717 174.700 -0.097 0.000 0.957 255 T CA -0.245 61.825 62.100 -0.051 0.000 1.002 255 T CB 0.172 69.096 68.868 0.093 0.000 0.919 255 T HN 0.198 nan 8.240 nan 0.000 0.468 256 F N 2.887 122.838 119.950 0.001 0.000 2.444 256 F HA 0.334 4.861 4.527 0.001 0.000 0.360 256 F C 0.451 176.266 175.800 0.025 0.000 1.106 256 F CA -0.457 57.553 58.000 0.018 0.000 1.170 256 F CB 0.565 39.556 39.000 -0.016 0.000 1.113 256 F HN 0.202 nan 8.300 nan 0.000 0.521 257 V N 3.600 123.615 119.914 0.168 0.000 2.435 257 V HA 0.196 4.317 4.120 0.001 0.000 0.290 257 V C -0.430 175.575 176.094 -0.149 0.000 1.030 257 V CA -1.015 61.237 62.300 -0.080 0.000 0.881 257 V CB 1.673 33.341 31.823 -0.259 0.000 0.983 257 V HN 0.512 nan 8.190 nan 0.000 0.445 258 D N 3.755 124.022 120.400 -0.222 0.000 2.348 258 D HA 0.450 5.090 4.640 0.001 0.000 0.253 258 D C -0.787 175.276 176.300 -0.395 0.000 1.161 258 D CA 0.546 54.449 54.000 -0.163 0.000 0.876 258 D CB 0.516 41.270 40.800 -0.075 0.000 1.160 258 D HN 0.299 nan 8.370 nan 0.000 0.459 259 F N 0.867 120.850 119.950 0.056 0.000 2.495 259 F HA 0.491 5.019 4.527 0.001 0.000 0.327 259 F C 0.591 176.435 175.800 0.074 0.000 1.103 259 F CA -0.741 57.302 58.000 0.072 0.000 0.949 259 F CB 2.323 41.398 39.000 0.126 0.000 1.142 259 F HN 0.008 nan 8.300 nan 0.000 0.457 260 T N 1.889 116.587 114.554 0.241 0.000 3.011 260 T HA 0.317 4.668 4.350 0.001 0.000 0.303 260 T C -2.023 172.791 174.700 0.189 0.000 0.997 260 T CA -0.525 61.679 62.100 0.173 0.000 1.007 260 T CB 0.763 69.686 68.868 0.093 0.000 1.017 260 T HN 0.572 nan 8.240 nan 0.000 0.443 261 D N 4.866 125.408 120.400 0.236 0.000 2.440 261 D HA 0.459 5.100 4.640 0.001 0.000 0.252 261 D C -0.642 175.848 176.300 0.316 0.000 1.180 261 D CA -0.344 53.840 54.000 0.307 0.000 0.894 261 D CB 0.426 41.474 40.800 0.415 0.000 1.111 261 D HN 0.551 nan 8.370 nan 0.000 0.544 262 I N 2.940 123.564 120.570 0.091 0.000 2.433 262 I HA 0.793 4.963 4.170 0.001 0.000 0.292 262 I C 0.880 176.721 176.117 -0.460 0.000 1.001 262 I CA -0.463 60.724 61.300 -0.188 0.000 1.119 262 I CB 2.010 39.941 38.000 -0.115 0.000 1.289 262 I HN 0.467 nan 8.210 nan 0.000 0.438 263 G N 4.177 112.282 108.800 -1.159 0.000 2.435 263 G HA2 0.450 4.410 3.960 0.001 0.000 0.296 263 G HA3 0.450 4.410 3.960 0.001 0.000 0.296 263 G C -2.044 172.201 174.900 -1.093 0.000 1.240 263 G CA -0.404 44.120 45.100 -0.960 0.000 0.872 263 G HN 0.432 nan 8.290 nan 0.000 0.480 264 V N 0.223 119.862 119.914 -0.458 0.000 2.638 264 V HA 0.761 4.882 4.120 0.001 0.000 0.306 264 V C -1.928 174.258 176.094 0.153 0.000 1.052 264 V CA -0.451 61.767 62.300 -0.137 0.000 0.885 264 V CB 2.029 33.780 31.823 -0.119 0.000 0.999 264 V HN 0.884 nan 8.190 nan 0.000 0.424 265 D N 5.158 125.713 120.400 0.258 0.000 2.411 265 D HA 0.337 4.978 4.640 0.001 0.000 0.239 265 D C -0.084 176.271 176.300 0.092 0.000 1.307 265 D CA -0.019 54.041 54.000 0.100 0.000 0.930 265 D CB 0.330 41.269 40.800 0.232 0.000 1.395 265 D HN 0.586 nan 8.370 nan 0.000 0.536 266 Y N -0.588 119.763 120.300 0.086 0.000 3.681 266 Y HA -0.430 4.121 4.550 0.001 0.000 0.406 266 Y C 0.946 176.881 175.900 0.059 0.000 1.163 266 Y CA 1.338 59.472 58.100 0.057 0.000 2.338 266 Y CB -1.985 36.486 38.460 0.018 0.000 0.885 266 Y HN 0.649 nan 8.280 nan 0.000 0.491 267 C N -1.557 117.857 119.300 0.190 0.000 3.236 267 C HA 0.760 5.221 4.460 0.001 0.000 0.312 267 C C -0.251 174.759 174.990 0.034 0.000 1.374 267 C CA -1.357 57.720 59.018 0.098 0.000 1.455 267 C CB 1.752 29.552 27.740 0.101 0.000 1.834 267 C HN 0.216 nan 8.230 nan 0.000 0.460 268 D N 1.474 121.852 120.400 -0.036 0.000 2.389 268 D HA 0.556 5.196 4.640 0.001 0.000 0.247 268 D C -0.372 175.837 176.300 -0.152 0.000 1.128 268 D CA 0.613 54.530 54.000 -0.138 0.000 0.884 268 D CB 0.609 41.339 40.800 -0.115 0.000 1.194 268 D HN 0.633 nan 8.370 nan 0.000 0.441 269 F N -1.329 118.454 119.950 -0.278 0.000 2.613 269 F HA 0.583 5.111 4.527 0.001 0.000 0.310 269 F C -0.505 175.208 175.800 -0.146 0.000 1.085 269 F CA -1.189 56.592 58.000 -0.365 0.000 0.945 269 F CB 1.683 40.159 39.000 -0.874 0.000 1.298 269 F HN 0.085 nan 8.300 nan 0.000 0.455 270 S N 2.386 118.171 115.700 0.142 0.000 2.496 270 S HA 0.590 5.061 4.470 0.001 0.000 0.221 270 S C -1.711 173.024 174.600 0.225 0.000 1.260 270 S CA -0.419 57.856 58.200 0.126 0.000 1.181 270 S CB 0.425 63.649 63.200 0.041 0.000 1.136 270 S HN 0.651 nan 8.310 nan 0.000 0.467 271 V N 5.709 125.823 119.914 0.333 0.000 2.407 271 V HA 0.564 4.684 4.120 0.001 0.000 0.278 271 V C -0.188 176.041 176.094 0.226 0.000 1.037 271 V CA -0.254 62.222 62.300 0.294 0.000 0.900 271 V CB 1.447 33.476 31.823 0.343 0.000 0.983 271 V HN 0.794 nan 8.190 nan 0.000 0.459 272 Q N 3.256 123.162 119.800 0.177 0.000 2.345 272 Q HA 0.725 5.066 4.340 0.001 0.000 0.275 272 Q C -0.932 175.140 176.000 0.120 0.000 1.063 272 Q CA -0.623 55.268 55.803 0.147 0.000 0.819 272 Q CB 2.803 31.605 28.738 0.106 0.000 1.356 272 Q HN 0.874 nan 8.270 nan 0.000 0.418 273 S N 0.827 116.592 115.700 0.109 0.000 2.638 273 S HA 0.670 5.141 4.470 0.001 0.000 0.274 273 S C -1.320 173.276 174.600 -0.006 0.000 1.157 273 S CA -1.069 57.131 58.200 -0.001 0.000 0.826 273 S CB 2.078 65.203 63.200 -0.126 0.000 1.139 273 S HN 0.454 nan 8.310 nan 0.000 0.474 274 K N 0.807 121.138 120.400 -0.115 0.000 2.292 274 K HA 0.612 4.933 4.320 0.001 0.000 0.257 274 K C -1.268 175.336 176.600 0.007 0.000 0.940 274 K CA -0.739 55.572 56.287 0.041 0.000 0.811 274 K CB 1.109 33.638 32.500 0.048 0.000 1.120 274 K HN 0.595 nan 8.250 nan 0.000 0.428 275 H N 1.213 120.538 119.070 0.425 0.000 2.851 275 H HA 0.251 4.807 4.556 0.001 0.000 0.372 275 H C -0.835 174.545 175.328 0.087 0.000 1.158 275 H CA -0.865 55.339 56.048 0.261 0.000 1.159 275 H CB 1.817 31.677 29.762 0.164 0.000 1.757 275 H HN 0.321 nan 8.280 nan 0.000 0.546 276 K N 2.050 122.359 120.400 -0.151 0.000 2.368 276 K HA 0.157 4.478 4.320 0.001 0.000 0.282 276 K C 1.353 177.912 176.600 -0.068 0.000 1.035 276 K CA -0.190 55.933 56.287 -0.272 0.000 0.973 276 K CB 1.246 33.428 32.500 -0.530 0.000 0.957 276 K HN 0.439 nan 8.250 nan 0.000 0.474 277 I N 2.444 123.010 120.570 -0.008 0.000 2.208 277 I HA -0.218 3.952 4.170 0.001 0.000 0.245 277 I C 0.760 176.763 176.117 -0.190 0.000 1.097 277 I CA 1.272 62.570 61.300 -0.004 0.000 1.363 277 I CB 0.072 38.056 38.000 -0.027 0.000 1.051 277 I HN 0.488 nan 8.210 nan 0.000 0.413 278 I N 1.214 121.587 120.570 -0.327 0.000 2.330 278 I HA 0.161 4.331 4.170 0.001 0.000 0.286 278 I C 0.056 175.982 176.117 -0.318 0.000 1.025 278 I CA -0.215 60.867 61.300 -0.363 0.000 1.197 278 I CB 1.025 38.680 38.000 -0.575 0.000 1.358 278 I HN 0.073 nan 8.210 nan 0.000 0.467 279 E N 7.416 127.477 120.200 -0.231 0.000 2.146 279 E HA 0.503 4.853 4.350 0.001 0.000 0.282 279 E C -1.179 175.309 176.600 -0.186 0.000 0.989 279 E CA -0.551 55.720 56.400 -0.216 0.000 0.799 279 E CB 1.116 30.692 29.700 -0.207 0.000 1.088 279 E HN 0.528 nan 8.360 nan 0.000 0.397 280 L N 3.535 124.655 121.223 -0.171 0.000 2.334 280 L HA 0.365 4.705 4.340 0.001 0.000 0.272 280 L C 0.265 177.077 176.870 -0.096 0.000 1.020 280 L CA -1.144 53.622 54.840 -0.124 0.000 0.812 280 L CB 1.226 43.229 42.059 -0.094 0.000 1.264 280 L HN 0.651 nan 8.230 nan 0.000 0.439 281 D N -0.804 119.546 120.400 -0.083 0.000 2.447 281 D HA 0.025 4.665 4.640 0.001 0.000 0.265 281 D C 0.333 176.606 176.300 -0.046 0.000 1.250 281 D CA -0.443 53.519 54.000 -0.064 0.000 1.046 281 D CB 0.522 41.281 40.800 -0.069 0.000 1.095 281 D HN 0.380 nan 8.370 nan 0.000 0.555 282 D N -1.192 119.186 120.400 -0.037 0.000 2.265 282 D HA -0.106 4.535 4.640 0.001 0.000 0.208 282 D C 1.018 177.303 176.300 -0.025 0.000 0.977 282 D CA 1.095 55.079 54.000 -0.026 0.000 0.871 282 D CB 0.016 40.803 40.800 -0.022 0.000 0.925 282 D HN 0.414 nan 8.370 nan 0.000 0.485 283 K N -0.718 119.663 120.400 -0.032 0.000 2.417 283 K HA 0.253 4.573 4.320 0.001 0.000 0.196 283 K C 1.000 177.587 176.600 -0.023 0.000 1.023 283 K CA 0.374 56.644 56.287 -0.028 0.000 1.122 283 K CB 0.827 33.306 32.500 -0.035 0.000 0.850 283 K HN 0.079 nan 8.250 nan 0.000 0.521 284 G N 1.724 110.513 108.800 -0.018 0.000 2.153 284 G HA2 -0.232 3.728 3.960 0.001 0.000 0.252 284 G HA3 -0.232 3.728 3.960 0.001 0.000 0.252 284 G C -0.170 174.734 174.900 0.006 0.000 0.994 284 G CA 0.010 45.114 45.100 0.007 0.000 0.698 284 G HN 0.212 nan 8.290 nan 0.000 0.521 285 Q N -0.002 119.775 119.800 -0.039 0.000 2.261 285 Q HA 0.488 4.829 4.340 0.001 0.000 0.252 285 Q C 0.722 176.644 176.000 -0.131 0.000 0.915 285 Q CA -0.541 55.216 55.803 -0.076 0.000 0.915 285 Q CB 1.800 30.480 28.738 -0.095 0.000 1.204 285 Q HN 0.254 nan 8.270 nan 0.000 0.421 286 V N 3.556 123.355 119.914 -0.193 0.000 2.485 286 V HA -0.024 4.097 4.120 0.001 0.000 0.287 286 V C 1.403 177.180 176.094 -0.527 0.000 1.022 286 V CA 0.292 62.402 62.300 -0.317 0.000 1.067 286 V CB 0.233 31.846 31.823 -0.349 0.000 0.967 286 V HN 0.739 nan 8.190 nan 0.000 0.479 287 V N 2.127 121.870 119.914 -0.286 0.000 3.570 287 V HA 0.460 4.581 4.120 0.001 0.000 0.257 287 V C 0.660 176.817 176.094 0.105 0.000 1.272 287 V CA 0.205 62.425 62.300 -0.134 0.000 1.079 287 V CB -0.039 31.742 31.823 -0.070 0.000 0.829 287 V HN 0.770 nan 8.190 nan 0.000 0.454 288 R N -0.358 120.157 120.500 0.025 0.000 2.594 288 R HA 0.645 4.986 4.340 0.001 0.000 0.265 288 R C -2.225 174.094 176.300 0.032 0.000 1.070 288 R CA -0.704 55.423 56.100 0.045 0.000 0.909 288 R CB 2.203 32.241 30.300 -0.437 0.000 1.243 288 R HN 0.250 nan 8.270 nan 0.000 0.455 289 I N 2.843 123.486 120.570 0.121 0.000 2.359 289 I HA 0.330 4.500 4.170 0.001 0.000 0.294 289 I C -0.457 175.646 176.117 -0.023 0.000 0.987 289 I CA -0.393 60.956 61.300 0.083 0.000 1.225 289 I CB 1.739 39.877 38.000 0.230 0.000 1.366 289 I HN 0.397 nan 8.210 nan 0.000 0.466 290 N N 7.185 125.837 118.700 -0.080 0.000 2.626 290 N HA 0.357 5.098 4.740 0.001 0.000 0.249 290 N C -1.489 173.984 175.510 -0.060 0.000 1.021 290 N CA -0.290 52.611 53.050 -0.248 0.000 0.886 290 N CB 1.775 39.967 38.487 -0.492 0.000 1.149 290 N HN 0.376 nan 8.380 nan 0.000 0.517 291 F N 2.498 122.344 119.950 -0.173 0.000 2.787 291 F HA 0.332 4.860 4.527 0.001 0.000 0.340 291 F C -1.546 174.303 175.800 0.083 0.000 1.232 291 F CA -0.770 57.247 58.000 0.029 0.000 1.051 291 F CB 1.102 40.244 39.000 0.237 0.000 1.330 291 F HN 0.143 nan 8.300 nan 0.000 0.522 292 N N 4.907 123.261 118.700 -0.576 0.000 2.519 292 N HA 0.183 4.923 4.740 0.001 0.000 0.286 292 N C 0.150 175.326 175.510 -0.557 0.000 1.079 292 N CA -0.182 52.532 53.050 -0.560 0.000 0.878 292 N CB 1.344 39.675 38.487 -0.260 0.000 1.375 292 N HN 0.758 nan 8.380 nan 0.000 0.514 293 N N 2.805 121.035 118.700 -0.784 0.000 2.205 293 N HA -0.069 4.671 4.740 0.001 0.000 0.186 293 N C 1.502 176.954 175.510 -0.096 0.000 1.015 293 N CA 1.769 54.640 53.050 -0.297 0.000 0.862 293 N CB 0.159 38.628 38.487 -0.030 0.000 0.986 293 N HN 0.654 nan 8.380 nan 0.000 0.429 294 A N -1.269 121.473 122.820 -0.130 0.000 1.972 294 A HA -0.091 4.229 4.320 0.001 0.000 0.219 294 A C 2.150 179.724 177.584 -0.017 0.000 1.169 294 A CA 1.940 53.933 52.037 -0.074 0.000 0.635 294 A CB -0.720 18.209 19.000 -0.119 0.000 0.810 294 A HN 0.365 nan 8.150 nan 0.000 0.446 295 T N -1.380 113.185 114.554 0.019 0.000 3.037 295 T HA 0.120 4.471 4.350 0.001 0.000 0.251 295 T C 0.964 175.778 174.700 0.191 0.000 1.079 295 T CA -0.193 61.984 62.100 0.129 0.000 1.067 295 T CB -0.118 68.846 68.868 0.159 0.000 0.948 295 T HN 0.495 nan 8.240 nan 0.000 0.496 296 R N 2.687 123.254 120.500 0.113 0.000 2.484 296 R HA 0.020 4.361 4.340 0.001 0.000 0.293 296 R C -0.296 175.904 176.300 -0.166 0.000 1.023 296 R CA -0.065 55.913 56.100 -0.205 0.000 1.037 296 R CB 0.192 30.390 30.300 -0.169 0.000 0.951 296 R HN 0.075 nan 8.270 nan 0.000 0.418 297 D N 1.766 122.029 120.400 -0.228 0.000 2.361 297 D HA -0.051 4.590 4.640 0.001 0.000 0.239 297 D C 1.024 177.267 176.300 -0.095 0.000 1.200 297 D CA 0.370 54.305 54.000 -0.108 0.000 0.915 297 D CB 1.380 42.130 40.800 -0.084 0.000 1.170 297 D HN 0.680 nan 8.370 nan 0.000 0.444 298 T N -0.460 114.076 114.554 -0.031 0.000 2.985 298 T HA 0.036 4.387 4.350 0.001 0.000 0.266 298 T C 1.393 176.110 174.700 0.029 0.000 1.076 298 T CA 0.219 62.321 62.100 0.004 0.000 1.135 298 T CB -0.165 68.713 68.868 0.018 0.000 0.890 298 T HN 0.329 nan 8.240 nan 0.000 0.480 299 I N 2.239 122.819 120.570 0.016 0.000 2.517 299 I HA 0.260 4.431 4.170 0.001 0.000 0.285 299 I C -0.588 175.586 176.117 0.096 0.000 1.106 299 I CA -0.313 61.014 61.300 0.044 0.000 1.402 299 I CB 0.271 38.283 38.000 0.020 0.000 1.399 299 I HN 0.131 nan 8.210 nan 0.000 0.535 300 F N 6.826 126.722 119.950 -0.091 0.000 2.659 300 F HA 0.251 4.779 4.527 0.001 0.000 0.342 300 F C -0.170 175.557 175.800 -0.121 0.000 1.168 300 F CA -1.842 56.069 58.000 -0.148 0.000 1.003 300 F CB 1.033 39.936 39.000 -0.161 0.000 1.267 300 F HN 0.361 nan 8.300 nan 0.000 0.463 301 D N 5.435 125.828 120.400 -0.012 0.000 2.713 301 D HA 0.366 5.006 4.640 0.001 0.000 0.229 301 D C -0.839 175.297 176.300 -0.273 0.000 1.136 301 D CA 0.256 54.181 54.000 -0.124 0.000 1.010 301 D CB -0.014 40.755 40.800 -0.052 0.000 1.084 301 D HN 0.216 nan 8.370 nan 0.000 0.495 302 V N -0.572 119.062 119.914 -0.467 0.000 3.007 302 V HA 0.734 4.854 4.120 0.001 0.000 0.311 302 V C -2.558 173.349 176.094 -0.312 0.000 1.120 302 V CA -2.211 59.815 62.300 -0.457 0.000 0.980 302 V CB 1.245 32.609 31.823 -0.766 0.000 1.033 302 V HN -0.030 nan 8.190 nan 0.000 0.429 303 P HA 0.136 nan 4.420 nan 0.000 0.267 303 P C 0.932 178.151 177.300 -0.135 0.000 1.200 303 P CA 0.115 63.135 63.100 -0.134 0.000 0.772 303 P CB 1.010 32.653 31.700 -0.094 0.000 0.855 304 V N 2.577 122.440 119.914 -0.086 0.000 2.380 304 V HA -0.257 3.864 4.120 0.001 0.000 0.251 304 V C 2.082 178.160 176.094 -0.027 0.000 1.063 304 V CA 2.452 64.721 62.300 -0.052 0.000 1.055 304 V CB -0.844 30.965 31.823 -0.024 0.000 0.657 304 V HN 0.748 nan 8.190 nan 0.000 0.455 305 E N -0.462 119.722 120.200 -0.026 0.000 2.268 305 E HA -0.219 4.131 4.350 0.001 0.000 0.195 305 E C 1.929 178.533 176.600 0.007 0.000 0.995 305 E CA 0.773 57.172 56.400 -0.002 0.000 0.836 305 E CB -0.525 29.172 29.700 -0.006 0.000 0.763 305 E HN 0.493 nan 8.360 nan 0.000 0.491 306 R N 0.894 121.375 120.500 -0.031 0.000 2.276 306 R HA 0.096 4.436 4.340 0.001 0.000 0.203 306 R C 2.269 178.595 176.300 0.044 0.000 1.017 306 R CA 0.381 56.467 56.100 -0.023 0.000 1.010 306 R CB -0.412 29.825 30.300 -0.106 0.000 0.900 306 R HN 0.146 nan 8.270 nan 0.000 0.469 307 V N 1.045 120.997 119.914 0.062 0.000 2.255 307 V HA -0.195 3.925 4.120 0.001 0.000 0.243 307 V C 2.628 178.998 176.094 0.461 0.000 1.038 307 V CA 1.565 64.014 62.300 0.248 0.000 1.008 307 V CB -0.481 31.483 31.823 0.235 0.000 0.645 307 V HN 0.216 nan 8.190 nan 0.000 0.449 308 Q N 0.085 120.073 119.800 0.314 0.000 2.084 308 Q HA -0.164 4.177 4.340 0.001 0.000 0.202 308 Q C 0.068 176.228 176.000 0.267 0.000 0.978 308 Q CA 2.195 58.178 55.803 0.300 0.000 0.844 308 Q CB -1.356 27.476 28.738 0.156 0.000 0.898 308 Q HN 0.470 nan 8.270 nan 0.000 0.426 309 P HA -0.098 nan 4.420 nan 0.000 0.221 309 P C 1.079 178.471 177.300 0.153 0.000 1.150 309 P CA 0.777 63.962 63.100 0.141 0.000 0.800 309 P CB -0.400 31.359 31.700 0.099 0.000 0.787 310 F N -0.821 119.183 119.950 0.090 0.000 2.102 310 F HA -0.232 4.295 4.527 0.001 0.000 0.298 310 F C 1.969 177.765 175.800 -0.007 0.000 1.105 310 F CA 1.559 59.581 58.000 0.036 0.000 1.239 310 F CB -0.847 38.220 39.000 0.112 0.000 0.991 310 F HN -0.156 nan 8.300 nan 0.000 0.474 311 Y N 0.418 120.787 120.300 0.114 0.000 2.242 311 Y HA -0.108 4.442 4.550 0.001 0.000 0.291 311 Y C 2.643 178.478 175.900 -0.109 0.000 1.137 311 Y CA 1.342 59.421 58.100 -0.035 0.000 1.181 311 Y CB -1.197 37.339 38.460 0.127 0.000 0.989 311 Y HN 0.190 nan 8.280 nan 0.000 0.527 312 A N 0.089 122.972 122.820 0.106 0.000 1.908 312 A HA -0.192 4.128 4.320 0.001 0.000 0.218 312 A C 2.449 180.008 177.584 -0.042 0.000 1.181 312 A CA 1.991 54.051 52.037 0.038 0.000 0.627 312 A CB -1.267 17.762 19.000 0.049 0.000 0.818 312 A HN 0.411 nan 8.150 nan 0.000 0.445 313 A N -0.691 122.058 122.820 -0.118 0.000 1.902 313 A HA -0.012 4.309 4.320 0.001 0.000 0.217 313 A C 2.131 179.576 177.584 -0.233 0.000 1.181 313 A CA 1.721 53.656 52.037 -0.171 0.000 0.623 313 A CB -0.622 18.249 19.000 -0.215 0.000 0.818 313 A HN 0.654 nan 8.150 nan 0.000 0.443 314 L N -0.089 120.882 121.223 -0.420 0.000 2.017 314 L HA -0.140 4.201 4.340 0.001 0.000 0.208 314 L C 2.282 179.075 176.870 -0.128 0.000 1.073 314 L CA 2.739 57.347 54.840 -0.386 0.000 0.745 314 L CB -0.650 41.043 42.059 -0.609 0.000 0.894 314 L HN 0.365 nan 8.230 nan 0.000 0.432 315 K N 0.277 120.636 120.400 -0.068 0.000 2.044 315 K HA -0.223 4.098 4.320 0.001 0.000 0.210 315 K C 1.972 178.570 176.600 -0.002 0.000 1.049 315 K CA 2.117 58.403 56.287 -0.002 0.000 0.927 315 K CB -0.351 32.165 32.500 0.027 0.000 0.713 315 K HN 0.532 nan 8.250 nan 0.000 0.443 316 E N -0.989 119.209 120.200 -0.003 0.000 2.110 316 E HA -0.166 4.185 4.350 0.001 0.000 0.193 316 E C 1.807 178.433 176.600 0.045 0.000 0.988 316 E CA 1.197 57.606 56.400 0.014 0.000 0.804 316 E CB -0.285 29.423 29.700 0.014 0.000 0.745 316 E HN 0.307 nan 8.360 nan 0.000 0.458 317 F N 0.947 120.813 119.950 -0.141 0.000 2.102 317 F HA -0.204 4.323 4.527 0.001 0.000 0.298 317 F C 2.048 177.761 175.800 -0.145 0.000 1.105 317 F CA 1.071 58.973 58.000 -0.163 0.000 1.239 317 F CB -0.446 38.403 39.000 -0.251 0.000 0.991 317 F HN -0.192 nan 8.300 nan 0.000 0.474 318 V N 0.412 120.222 119.914 -0.174 0.000 2.427 318 V HA -0.268 3.852 4.120 0.001 0.000 0.248 318 V C 2.145 178.172 176.094 -0.112 0.000 1.051 318 V CA 2.039 64.226 62.300 -0.188 0.000 1.048 318 V CB -0.761 31.046 31.823 -0.027 0.000 0.666 318 V HN 0.247 nan 8.190 nan 0.000 0.456 319 D N 0.021 120.385 120.400 -0.060 0.000 2.116 319 D HA -0.176 4.465 4.640 0.001 0.000 0.193 319 D C 1.967 178.224 176.300 -0.072 0.000 0.998 319 D CA 1.219 55.197 54.000 -0.037 0.000 0.836 319 D CB -0.294 40.497 40.800 -0.015 0.000 0.951 319 D HN 0.304 nan 8.370 nan 0.000 0.449 320 L N 0.433 121.588 121.223 -0.113 0.000 2.046 320 L HA -0.064 4.277 4.340 0.001 0.000 0.208 320 L C 2.262 179.001 176.870 -0.218 0.000 1.077 320 L CA 1.417 56.176 54.840 -0.135 0.000 0.747 320 L CB -0.564 41.426 42.059 -0.114 0.000 0.896 320 L HN 0.025 nan 8.230 nan 0.000 0.432 321 M N -0.901 118.488 119.600 -0.352 0.000 2.159 321 M HA -0.207 4.273 4.480 0.001 0.000 0.263 321 M C 1.489 177.583 176.300 -0.344 0.000 1.063 321 M CA 1.457 56.454 55.300 -0.505 0.000 1.110 321 M CB -0.500 31.690 32.600 -0.683 0.000 1.374 321 M HN 0.324 nan 8.290 nan 0.000 0.411 322 N N 0.752 119.396 118.700 -0.093 0.000 2.461 322 N HA -0.004 4.736 4.740 0.001 0.000 0.188 322 N C 0.450 175.986 175.510 0.045 0.000 1.134 322 N CA 0.245 53.349 53.050 0.089 0.000 0.878 322 N CB 0.045 38.610 38.487 0.129 0.000 0.972 322 N HN 0.304 nan 8.380 nan 0.000 0.456 323 S N 0.213 115.902 115.700 -0.017 0.000 2.576 323 S HA 0.179 4.650 4.470 0.001 0.000 0.276 323 S C 1.255 175.867 174.600 0.019 0.000 1.339 323 S CA -0.445 57.754 58.200 -0.002 0.000 1.039 323 S CB 1.861 65.048 63.200 -0.022 0.000 0.902 323 S HN -0.188 nan 8.310 nan 0.000 0.516 324 K N 1.547 121.967 120.400 0.033 0.000 2.152 324 K HA -0.050 4.270 4.320 0.001 0.000 0.206 324 K C 1.695 178.330 176.600 0.059 0.000 1.048 324 K CA 1.609 57.926 56.287 0.050 0.000 0.933 324 K CB -0.527 31.999 32.500 0.043 0.000 0.721 324 K HN 0.794 nan 8.250 nan 0.000 0.447 325 E N -0.949 119.276 120.200 0.040 0.000 2.347 325 E HA -0.016 4.335 4.350 0.001 0.000 0.196 325 E C 1.533 178.164 176.600 0.051 0.000 1.008 325 E CA 0.792 57.220 56.400 0.048 0.000 0.852 325 E CB 0.156 29.872 29.700 0.026 0.000 0.783 325 E HN 0.115 nan 8.360 nan 0.000 0.505 326 S N -0.263 115.448 115.700 0.020 0.000 2.468 326 S HA 0.111 4.581 4.470 0.001 0.000 0.226 326 S C 0.471 175.106 174.600 0.058 0.000 1.051 326 S CA 0.125 58.308 58.200 -0.028 0.000 0.943 326 S CB 0.282 63.394 63.200 -0.146 0.000 0.810 326 S HN 0.067 nan 8.310 nan 0.000 0.509 327 K N 1.281 121.746 120.400 0.109 0.000 2.298 327 K HA 0.293 4.613 4.320 0.001 0.000 0.280 327 K C -1.134 175.675 176.600 0.348 0.000 1.032 327 K CA -0.114 56.309 56.287 0.226 0.000 0.958 327 K CB 0.709 33.358 32.500 0.248 0.000 0.978 327 K HN 0.157 nan 8.250 nan 0.000 0.472 328 F N 1.441 121.567 119.950 0.294 0.000 2.482 328 F HA 0.289 4.817 4.527 0.001 0.000 0.331 328 F C -0.677 175.279 175.800 0.259 0.000 1.115 328 F CA -0.326 57.822 58.000 0.248 0.000 0.955 328 F CB 1.721 40.845 39.000 0.208 0.000 1.136 328 F HN 0.326 nan 8.300 nan 0.000 0.452 329 T N 7.404 121.569 114.554 -0.648 0.000 2.829 329 T HA 0.671 5.022 4.350 0.001 0.000 0.280 329 T C -1.196 173.134 174.700 -0.618 0.000 0.999 329 T CA -0.302 61.540 62.100 -0.431 0.000 0.983 329 T CB 1.059 69.782 68.868 -0.241 0.000 0.968 329 T HN 0.515 nan 8.240 nan 0.000 0.446 330 F N -0.232 119.460 119.950 -0.429 0.000 2.686 330 F HA 0.782 5.310 4.527 0.001 0.000 0.311 330 F C -1.269 174.465 175.800 -0.110 0.000 1.128 330 F CA -1.359 56.485 58.000 -0.259 0.000 0.946 330 F CB 1.741 40.694 39.000 -0.077 0.000 1.336 330 F HN 0.384 nan 8.300 nan 0.000 0.457 331 K N 2.752 123.123 120.400 -0.048 0.000 2.270 331 K HA 0.567 4.887 4.320 0.001 0.000 0.255 331 K C -1.387 175.244 176.600 0.051 0.000 0.936 331 K CA -0.850 55.362 56.287 -0.124 0.000 0.809 331 K CB 1.871 34.335 32.500 -0.061 0.000 1.131 331 K HN 0.903 nan 8.250 nan 0.000 0.427 332 M N 3.443 123.034 119.600 -0.016 0.000 2.144 332 M HA 0.201 4.682 4.480 0.001 0.000 0.356 332 M C -0.616 175.708 176.300 0.040 0.000 1.217 332 M CA -0.285 55.069 55.300 0.090 0.000 1.087 332 M CB 0.937 33.583 32.600 0.077 0.000 1.609 332 M HN 0.560 nan 8.290 nan 0.000 0.467 333 N N 3.829 122.563 118.700 0.057 0.000 2.466 333 N HA 0.468 5.209 4.740 0.001 0.000 0.294 333 N C -2.683 172.830 175.510 0.005 0.000 1.129 333 N CA -1.538 51.526 53.050 0.022 0.000 0.931 333 N CB 0.777 39.282 38.487 0.029 0.000 1.193 333 N HN 0.294 nan 8.380 nan 0.000 0.500 334 P HA 0.016 nan 4.420 nan 0.000 0.264 334 P C 0.783 178.076 177.300 -0.011 0.000 1.183 334 P CA 0.998 64.072 63.100 -0.044 0.000 0.763 334 P CB 0.439 32.112 31.700 -0.045 0.000 0.807 335 G N 1.755 110.569 108.800 0.022 0.000 2.199 335 G HA2 -0.198 3.762 3.960 0.001 0.000 0.254 335 G HA3 -0.198 3.762 3.960 0.001 0.000 0.254 335 G C -0.073 174.850 174.900 0.039 0.000 0.982 335 G CA -0.258 44.882 45.100 0.066 0.000 0.632 335 G HN 0.500 nan 8.290 nan 0.000 0.529 336 D N 0.248 120.693 120.400 0.074 0.000 2.350 336 D HA 0.503 5.144 4.640 0.001 0.000 0.249 336 D C 0.252 176.650 176.300 0.162 0.000 1.119 336 D CA 0.128 54.182 54.000 0.090 0.000 0.886 336 D CB 1.797 42.662 40.800 0.108 0.000 1.195 336 D HN 0.170 nan 8.370 nan 0.000 0.437 337 V N 4.317 124.294 119.914 0.105 0.000 2.376 337 V HA 0.263 4.383 4.120 0.001 0.000 0.287 337 V C -0.059 176.143 176.094 0.180 0.000 1.015 337 V CA -0.812 61.572 62.300 0.140 0.000 0.834 337 V CB 1.251 33.111 31.823 0.061 0.000 1.001 337 V HN 0.350 nan 8.190 nan 0.000 0.428 338 I N 4.651 125.347 120.570 0.209 0.000 2.353 338 I HA 0.493 4.663 4.170 0.001 0.000 0.293 338 I C 0.521 176.803 176.117 0.274 0.000 0.992 338 I CA -0.016 61.424 61.300 0.234 0.000 1.268 338 I CB 1.791 39.951 38.000 0.268 0.000 1.387 338 I HN 0.690 nan 8.210 nan 0.000 0.478 339 T N 4.186 118.915 114.554 0.290 0.000 2.824 339 T HA 0.800 5.151 4.350 0.001 0.000 0.282 339 T C -0.697 174.144 174.700 0.234 0.000 0.993 339 T CA -0.624 61.605 62.100 0.216 0.000 0.967 339 T CB 1.550 70.584 68.868 0.276 0.000 0.960 339 T HN 0.427 nan 8.240 nan 0.000 0.441 340 F N -0.454 119.473 119.950 -0.039 0.000 2.645 340 F HA 0.699 5.226 4.527 0.001 0.000 0.310 340 F C -1.106 174.675 175.800 -0.031 0.000 1.102 340 F CA -1.322 56.668 58.000 -0.017 0.000 0.952 340 F CB 1.240 40.263 39.000 0.037 0.000 1.326 340 F HN 0.446 nan 8.300 nan 0.000 0.456 341 D N 1.977 122.544 120.400 0.279 0.000 2.393 341 D HA 0.095 4.735 4.640 0.001 0.000 0.232 341 D C 0.458 176.964 176.300 0.344 0.000 1.192 341 D CA 0.270 54.433 54.000 0.271 0.000 0.882 341 D CB 0.440 41.497 40.800 0.427 0.000 1.038 341 D HN 0.753 nan 8.370 nan 0.000 0.499 342 N N 3.068 121.881 118.700 0.188 0.000 2.573 342 N HA -0.102 4.639 4.740 0.001 0.000 0.187 342 N C 0.748 176.552 175.510 0.490 0.000 1.107 342 N CA 0.698 53.949 53.050 0.334 0.000 0.918 342 N CB 0.029 38.650 38.487 0.224 0.000 0.966 342 N HN 0.446 nan 8.380 nan 0.000 0.448 343 W N 0.104 121.536 121.300 0.220 0.000 2.863 343 W HA 0.303 4.964 4.660 0.001 0.000 0.258 343 W C 2.296 178.887 176.519 0.120 0.000 1.298 343 W CA -0.142 57.310 57.345 0.179 0.000 1.451 343 W CB -0.186 29.420 29.460 0.242 0.000 1.107 343 W HN 0.166 nan 8.180 nan 0.000 0.641 344 R N -0.793 119.824 120.500 0.196 0.000 2.215 344 R HA 0.173 4.513 4.340 0.001 0.000 0.190 344 R C 0.598 176.817 176.300 -0.135 0.000 0.968 344 R CA 0.204 56.109 56.100 -0.325 0.000 1.122 344 R CB -0.234 29.618 30.300 -0.748 0.000 1.151 344 R HN -0.151 nan 8.270 nan 0.000 0.582 345 L N 2.852 124.133 121.223 0.096 0.000 2.395 345 L HA 0.335 4.675 4.340 0.001 0.000 0.269 345 L C -0.647 176.353 176.870 0.216 0.000 1.133 345 L CA -0.633 54.299 54.840 0.153 0.000 0.812 345 L CB 1.127 43.351 42.059 0.274 0.000 1.125 345 L HN 0.112 nan 8.230 nan 0.000 0.452 346 L N 2.372 123.685 121.223 0.150 0.000 2.334 346 L HA 0.554 4.894 4.340 0.001 0.000 0.273 346 L C -0.018 177.050 176.870 0.330 0.000 1.013 346 L CA -0.383 54.572 54.840 0.191 0.000 0.816 346 L CB 1.545 43.683 42.059 0.132 0.000 1.278 346 L HN 0.574 nan 8.230 nan 0.000 0.431 347 H N -0.061 119.090 119.070 0.135 0.000 2.985 347 H HA 0.950 5.507 4.556 0.001 0.000 0.360 347 H C -0.852 174.362 175.328 -0.189 0.000 1.221 347 H CA -0.829 55.261 56.048 0.071 0.000 1.121 347 H CB 2.040 31.741 29.762 -0.103 0.000 1.854 347 H HN 0.689 nan 8.280 nan 0.000 0.551 348 G N 0.054 108.735 108.800 -0.198 0.000 2.488 348 G HA2 0.533 4.494 3.960 0.001 0.000 0.301 348 G HA3 0.533 4.494 3.960 0.001 0.000 0.301 348 G C -1.691 173.103 174.900 -0.176 0.000 1.339 348 G CA -0.957 43.994 45.100 -0.248 0.000 0.803 348 G HN 0.969 nan 8.290 nan 0.000 0.482 349 R N -0.552 119.858 120.500 -0.150 0.000 2.644 349 R HA 0.549 4.890 4.340 0.001 0.000 0.257 349 R C -1.232 175.003 176.300 -0.108 0.000 1.082 349 R CA -0.967 55.052 56.100 -0.135 0.000 0.927 349 R CB 1.388 31.625 30.300 -0.104 0.000 1.258 349 R HN 0.595 nan 8.270 nan 0.000 0.459 361 H N 2.203 121.244 119.070 -0.048 0.000 2.685 361 H HA 0.783 5.339 4.556 0.001 0.000 0.307 361 H C -0.615 174.667 175.328 -0.077 0.000 1.017 361 H CA -0.486 55.530 56.048 -0.052 0.000 1.237 361 H CB 0.965 30.693 29.762 -0.058 0.000 1.409 361 H HN 0.554 nan 8.280 nan 0.000 0.488 362 L N 4.591 125.772 121.223 -0.070 0.000 2.362 362 L HA 0.400 4.740 4.340 0.001 0.000 0.271 362 L C -0.469 176.378 176.870 -0.039 0.000 1.002 362 L CA -0.964 53.856 54.840 -0.034 0.000 0.818 362 L CB 2.202 44.252 42.059 -0.014 0.000 1.298 362 L HN 0.676 nan 8.230 nan 0.000 0.420 363 E N 1.128 121.338 120.200 0.017 0.000 2.183 363 E HA 0.773 5.124 4.350 0.001 0.000 0.271 363 E C -0.622 176.001 176.600 0.038 0.000 0.919 363 E CA -0.860 55.564 56.400 0.040 0.000 0.781 363 E CB 2.293 32.053 29.700 0.100 0.000 1.140 363 E HN 0.642 nan 8.360 nan 0.000 0.402 364 G N 0.749 109.555 108.800 0.010 0.000 2.667 364 G HA2 0.678 4.638 3.960 0.001 0.000 0.298 364 G HA3 0.678 4.638 3.960 0.001 0.000 0.298 364 G C -1.542 173.313 174.900 -0.076 0.000 1.377 364 G CA -0.576 44.494 45.100 -0.050 0.000 0.964 364 G HN 0.718 nan 8.290 nan 0.000 0.493 365 A N 0.375 123.001 122.820 -0.323 0.000 2.515 365 A HA 0.873 5.194 4.320 0.001 0.000 0.296 365 A C -1.902 175.297 177.584 -0.642 0.000 1.094 365 A CA -0.707 51.034 52.037 -0.493 0.000 0.718 365 A CB 1.374 19.709 19.000 -1.108 0.000 1.307 365 A HN 0.673 nan 8.150 nan 0.000 0.408 366 Y N -0.205 119.867 120.300 -0.381 0.000 2.468 366 Y HA 0.685 5.236 4.550 0.001 0.000 0.342 366 Y C 0.552 176.378 175.900 -0.123 0.000 1.021 366 Y CA -0.038 57.909 58.100 -0.255 0.000 1.079 366 Y CB 2.377 40.742 38.460 -0.158 0.000 1.226 366 Y HN 0.965 nan 8.280 nan 0.000 0.460 367 A N 1.683 124.488 122.820 -0.026 0.000 2.413 367 A HA 0.387 4.707 4.320 0.001 0.000 0.307 367 A C -1.187 176.261 177.584 -0.225 0.000 1.087 367 A CA -0.832 51.150 52.037 -0.092 0.000 0.750 367 A CB 1.130 19.955 19.000 -0.292 0.000 1.296 367 A HN 0.726 nan 8.150 nan 0.000 0.423 368 D N 0.700 121.018 120.400 -0.137 0.000 2.424 368 D HA 0.009 4.649 4.640 0.001 0.000 0.244 368 D C 0.432 176.601 176.300 -0.219 0.000 1.134 368 D CA 0.050 53.987 54.000 -0.105 0.000 0.881 368 D CB 0.563 41.401 40.800 0.064 0.000 1.191 368 D HN 0.608 nan 8.370 nan 0.000 0.445 369 W N 1.984 123.096 121.300 -0.314 0.000 2.331 369 W HA -0.173 4.488 4.660 0.001 0.000 0.291 369 W C 1.941 178.363 176.519 -0.163 0.000 1.214 369 W CA 0.180 57.325 57.345 -0.334 0.000 1.228 369 W CB 0.190 29.334 29.460 -0.525 0.000 1.135 369 W HN 0.494 nan 8.180 nan 0.000 0.537 370 D N -0.535 119.967 120.400 0.169 0.000 2.149 370 D HA -0.169 4.472 4.640 0.001 0.000 0.198 370 D C 2.193 178.542 176.300 0.082 0.000 0.990 370 D CA 1.356 55.445 54.000 0.148 0.000 0.839 370 D CB -0.577 40.309 40.800 0.142 0.000 0.948 370 D HN 0.051 nan 8.370 nan 0.000 0.460 371 V N 0.428 120.341 119.914 -0.002 0.000 2.379 371 V HA -0.166 3.954 4.120 0.001 0.000 0.245 371 V C 2.572 178.619 176.094 -0.078 0.000 1.044 371 V CA 0.862 63.137 62.300 -0.043 0.000 1.036 371 V CB -0.080 31.669 31.823 -0.122 0.000 0.664 371 V HN 0.044 nan 8.190 nan 0.000 0.453 372 V N -0.673 119.106 119.914 -0.225 0.000 2.358 372 V HA -0.249 3.872 4.120 0.001 0.000 0.246 372 V C 2.493 178.603 176.094 0.027 0.000 1.047 372 V CA 1.652 63.820 62.300 -0.220 0.000 1.035 372 V CB -0.612 30.908 31.823 -0.505 0.000 0.658 372 V HN 0.392 nan 8.190 nan 0.000 0.452 373 M N -0.029 119.652 119.600 0.135 0.000 2.159 373 M HA -0.129 4.352 4.480 0.001 0.000 0.263 373 M C 2.509 178.849 176.300 0.066 0.000 1.063 373 M CA 1.907 57.271 55.300 0.107 0.000 1.110 373 M CB -1.545 31.161 32.600 0.177 0.000 1.374 373 M HN 0.490 nan 8.290 nan 0.000 0.411 374 S N 0.088 115.842 115.700 0.089 0.000 2.353 374 S HA -0.201 4.269 4.470 0.001 0.000 0.222 374 S C 2.129 176.784 174.600 0.092 0.000 1.035 374 S CA 1.624 59.878 58.200 0.089 0.000 1.025 374 S CB -0.079 63.177 63.200 0.095 0.000 0.902 374 S HN 0.324 nan 8.310 nan 0.000 0.440 375 R N 0.675 121.252 120.500 0.127 0.000 2.081 375 R HA 0.071 4.411 4.340 0.001 0.000 0.235 375 R C 2.185 178.546 176.300 0.101 0.000 1.131 375 R CA 1.356 57.545 56.100 0.149 0.000 0.960 375 R CB -1.221 29.254 30.300 0.293 0.000 0.856 375 R HN 0.478 nan 8.270 nan 0.000 0.436 376 L N 0.702 121.944 121.223 0.031 0.000 2.012 376 L HA -0.139 4.201 4.340 0.001 0.000 0.210 376 L C 2.011 178.884 176.870 0.005 0.000 1.073 376 L CA 1.888 56.685 54.840 -0.072 0.000 0.748 376 L CB -0.507 41.325 42.059 -0.379 0.000 0.891 376 L HN 0.112 nan 8.230 nan 0.000 0.431 377 R N -0.910 119.616 120.500 0.043 0.000 2.070 377 R HA -0.139 4.202 4.340 0.001 0.000 0.233 377 R C 2.188 178.554 176.300 0.109 0.000 1.137 377 R CA 1.654 57.848 56.100 0.157 0.000 0.945 377 R CB -0.370 30.007 30.300 0.127 0.000 0.845 377 R HN 0.314 nan 8.270 nan 0.000 0.430 378 I N 1.125 121.743 120.570 0.080 0.000 2.127 378 I HA -0.275 3.895 4.170 0.001 0.000 0.241 378 I C 2.358 178.500 176.117 0.041 0.000 1.075 378 I CA 1.565 62.899 61.300 0.057 0.000 1.334 378 I CB -1.049 36.984 38.000 0.056 0.000 1.040 378 I HN 0.228 nan 8.210 nan 0.000 0.405 379 L N -0.082 121.181 121.223 0.067 0.000 2.083 379 L HA -0.217 4.124 4.340 0.001 0.000 0.209 379 L C 2.811 179.612 176.870 -0.116 0.000 1.083 379 L CA 1.263 56.135 54.840 0.053 0.000 0.752 379 L CB -0.585 41.589 42.059 0.192 0.000 0.899 379 L HN 0.229 nan 8.230 nan 0.000 0.433 380 R N -0.125 120.293 120.500 -0.137 0.000 2.081 380 R HA -0.238 4.102 4.340 0.001 0.000 0.235 380 R C 2.379 178.551 176.300 -0.214 0.000 1.131 380 R CA 1.680 57.538 56.100 -0.403 0.000 0.960 380 R CB -0.091 30.215 30.300 0.011 0.000 0.856 380 R HN 0.210 nan 8.270 nan 0.000 0.436 381 Q N 0.715 120.472 119.800 -0.071 0.000 2.084 381 Q HA -0.144 4.197 4.340 0.001 0.000 0.202 381 Q C 1.930 177.895 176.000 -0.059 0.000 0.978 381 Q CA 1.864 57.639 55.803 -0.046 0.000 0.844 381 Q CB -0.045 28.691 28.738 -0.003 0.000 0.898 381 Q HN 0.290 nan 8.270 nan 0.000 0.426 382 R N -1.057 119.410 120.500 -0.055 0.000 2.081 382 R HA -0.062 4.278 4.340 0.001 0.000 0.235 382 R C 2.288 178.552 176.300 -0.061 0.000 1.131 382 R CA 1.365 57.441 56.100 -0.040 0.000 0.960 382 R CB -0.341 29.950 30.300 -0.015 0.000 0.856 382 R HN 0.146 nan 8.270 nan 0.000 0.436 383 V N 1.220 121.060 119.914 -0.123 0.000 2.358 383 V HA -0.214 3.906 4.120 0.001 0.000 0.246 383 V C 1.914 177.942 176.094 -0.111 0.000 1.047 383 V CA 1.775 63.994 62.300 -0.135 0.000 1.035 383 V CB -0.368 31.299 31.823 -0.260 0.000 0.658 383 V HN 0.343 nan 8.190 nan 0.000 0.452 384 E N -0.085 120.039 120.200 -0.127 0.000 2.204 384 E HA -0.112 4.239 4.350 0.001 0.000 0.194 384 E C 0.828 177.400 176.600 -0.048 0.000 0.989 384 E CA 0.353 56.704 56.400 -0.082 0.000 0.824 384 E CB -0.050 29.602 29.700 -0.080 0.000 0.756 384 E HN 0.582 nan 8.360 nan 0.000 0.477 385 N N 0.000 118.676 118.700 -0.040 0.000 1.763 385 N HA 0.000 4.741 4.740 0.001 0.000 0.220 385 N CA 0.000 53.037 53.050 -0.022 0.000 0.885 385 N CB 0.000 38.478 38.487 -0.014 0.000 1.341 385 N HN 0.000 nan 8.380 nan 0.000 0.667