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 2eq8_1_A DATA FIRST_RESID 7 DATA SEQUENCE MKTYDLIVIG TGPGGYHAAI RAAQLGLKVL AVEAGEVGGV cLNVGcIPTK DATA SEQUENCE ALLHAAETLH HLKVAEGFGL KAXKPELDLK KLGGWRDQVV KKLTGGVGTL DATA SEQUENCE LKGNGVELLR GFARLVGPKE VEVXXXXGGE RYGAKSLILA TGSEPLELKG DATA SEQUENCE FPFGEDVWDS TRALKVEGLP KRLLVIGGGA VGLELGQVYR RLGAEVTLIE DATA SEQUENCE YMPEILPQGD PETAALLRRA LEKEGIRVRT KTKAVGYEKK KDGLHVRLEE DATA SEQUENCE GGEGEEVVVD KVLVAVGRKP RTEGLGLEKA GVKVDERGFI RVNARMETSV DATA SEQUENCE PGVYAIGDAA RPPLLAHKAM REGLIAAENA AGKDSAFDYX QVPSVVYTSP DATA SEQUENCE EWAGVGLTEE EAKRAGYKVK VGKFPLAASG RALTLGGAEG MVKVVGDEET DATA SEQUENCE DLLLGVFIVG PQAGELIAEA ALALEMGATL TDLALTVHPH PTLSESLMEA DATA SEQUENCE AEAFHKQAIH ILN 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 7 M HA 0.000 nan 4.480 nan 0.000 0.227 7 M C 0.000 176.279 176.300 -0.034 0.000 1.140 7 M CA 0.000 55.285 55.300 -0.026 0.000 0.988 7 M CB 0.000 32.582 32.600 -0.030 0.000 1.302 8 K N 1.382 121.734 120.400 -0.079 0.000 2.733 8 K HA 0.101 4.420 4.320 -0.001 0.000 0.603 8 K C -2.032 174.391 176.600 -0.295 0.000 1.263 8 K CA -0.080 56.100 56.287 -0.178 0.000 1.059 8 K CB 0.720 33.173 32.500 -0.079 0.000 1.856 8 K HN 0.806 nan 8.250 nan 0.000 0.392 9 T N 2.423 116.721 114.554 -0.426 0.000 2.932 9 T HA 0.696 5.046 4.350 -0.001 0.000 0.289 9 T C -1.244 173.072 174.700 -0.639 0.000 1.039 9 T CA -0.512 61.371 62.100 -0.363 0.000 1.024 9 T CB 0.849 69.632 68.868 -0.142 0.000 1.090 9 T HN 0.303 nan 8.240 nan 0.000 0.496 10 Y N -0.139 120.194 120.300 0.055 0.000 2.512 10 Y HA 0.359 4.909 4.550 -0.001 0.000 0.348 10 Y C 0.924 176.848 175.900 0.040 0.000 0.990 10 Y CA -1.015 57.112 58.100 0.045 0.000 1.033 10 Y CB 1.556 40.045 38.460 0.048 0.000 1.259 10 Y HN 0.574 nan 8.280 nan 0.000 0.461 11 D N 0.981 121.493 120.400 0.186 0.000 2.271 11 D HA 0.055 4.695 4.640 -0.001 0.000 0.206 11 D C -0.419 175.956 176.300 0.125 0.000 0.967 11 D CA 1.103 55.175 54.000 0.120 0.000 0.867 11 D CB 0.749 41.599 40.800 0.084 0.000 0.960 11 D HN 0.277 nan 8.370 nan 0.000 0.509 12 L N 0.311 121.619 121.223 0.141 0.000 2.482 12 L HA 0.432 4.771 4.340 -0.001 0.000 0.263 12 L C -1.890 175.001 176.870 0.034 0.000 0.957 12 L CA -0.570 54.323 54.840 0.088 0.000 0.836 12 L CB 2.421 44.514 42.059 0.056 0.000 1.324 12 L HN -0.249 nan 8.230 nan 0.000 0.406 13 I N 5.058 125.630 120.570 0.002 0.000 2.436 13 I HA 0.527 4.697 4.170 -0.001 0.000 0.289 13 I C -0.929 175.151 176.117 -0.061 0.000 1.010 13 I CA -0.950 60.299 61.300 -0.086 0.000 1.098 13 I CB 2.043 39.992 38.000 -0.085 0.000 1.266 13 I HN 0.299 nan 8.210 nan 0.000 0.434 14 V N 7.375 127.234 119.914 -0.091 0.000 2.384 14 V HA 0.417 4.536 4.120 -0.001 0.000 0.287 14 V C 0.110 176.149 176.094 -0.092 0.000 1.020 14 V CA -0.481 61.781 62.300 -0.063 0.000 0.850 14 V CB 1.826 33.622 31.823 -0.045 0.000 0.987 14 V HN 0.479 nan 8.190 nan 0.000 0.436 15 I N 4.923 125.441 120.570 -0.085 0.000 2.291 15 I HA 0.684 4.854 4.170 -0.001 0.000 0.290 15 I C 0.741 176.797 176.117 -0.102 0.000 1.050 15 I CA 0.112 61.339 61.300 -0.121 0.000 1.245 15 I CB 0.940 38.856 38.000 -0.140 0.000 1.405 15 I HN 0.887 nan 8.210 nan 0.000 0.478 16 G N 3.397 112.139 108.800 -0.096 0.000 2.885 16 G HA2 -0.095 3.864 3.960 -0.001 0.000 0.685 16 G HA3 -0.095 3.864 3.960 -0.001 0.000 0.685 16 G C -0.103 174.788 174.900 -0.015 0.000 1.216 16 G CA -0.353 44.710 45.100 -0.061 0.000 0.790 16 G HN 0.677 nan 8.290 nan 0.000 0.631 17 T N 0.021 114.586 114.554 0.018 0.000 3.293 17 T HA 0.634 4.983 4.350 -0.001 0.000 0.276 17 T C 1.291 176.104 174.700 0.188 0.000 1.003 17 T CA 0.907 63.064 62.100 0.095 0.000 0.916 17 T CB 0.600 69.504 68.868 0.060 0.000 1.134 17 T HN 1.704 nan 8.240 nan 0.000 0.530 18 G N 2.095 110.962 108.800 0.111 0.000 2.516 18 G HA2 0.430 4.389 3.960 -0.001 0.000 0.276 18 G HA3 0.430 4.389 3.960 -0.001 0.000 0.276 18 G C -1.516 173.428 174.900 0.073 0.000 1.390 18 G CA -1.491 43.678 45.100 0.115 0.000 1.050 18 G HN 0.069 nan 8.290 nan 0.000 0.519 19 P HA -0.108 nan 4.420 nan 0.000 0.216 19 P C 2.013 179.018 177.300 -0.493 0.000 1.153 19 P CA 2.006 64.858 63.100 -0.415 0.000 0.858 19 P CB -0.036 31.520 31.700 -0.241 0.000 0.789 20 G N -0.563 108.086 108.800 -0.252 0.000 2.434 20 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.214 20 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.214 20 G C 1.830 176.662 174.900 -0.112 0.000 1.202 20 G CA 0.960 45.953 45.100 -0.179 0.000 0.788 20 G HN 0.348 nan 8.290 nan 0.000 0.539 21 G N 0.550 109.311 108.800 -0.064 0.000 2.446 21 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.217 21 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.217 21 G C 1.743 176.674 174.900 0.051 0.000 1.168 21 G CA 1.450 46.547 45.100 -0.006 0.000 0.771 21 G HN 0.667 nan 8.290 nan 0.000 0.551 22 Y N -0.138 120.188 120.300 0.044 0.000 2.439 22 Y HA 0.117 4.667 4.550 -0.001 0.000 0.292 22 Y C 2.352 178.266 175.900 0.024 0.000 1.130 22 Y CA 1.246 59.361 58.100 0.025 0.000 1.254 22 Y CB -0.756 37.715 38.460 0.018 0.000 1.000 22 Y HN 0.284 nan 8.280 nan 0.000 0.554 23 H N 0.414 119.330 119.070 -0.257 0.000 2.403 23 H HA 0.168 4.723 4.556 -0.001 0.000 0.298 23 H C 2.322 177.607 175.328 -0.071 0.000 1.059 23 H CA 1.377 57.325 56.048 -0.166 0.000 1.363 23 H CB -0.238 29.362 29.762 -0.269 0.000 1.410 23 H HN 0.484 nan 8.280 nan 0.000 0.528 24 A N 0.572 123.414 122.820 0.037 0.000 1.898 24 A HA -0.051 4.268 4.320 -0.001 0.000 0.216 24 A C 2.497 180.078 177.584 -0.005 0.000 1.181 24 A CA 1.483 53.519 52.037 -0.002 0.000 0.620 24 A CB -1.011 17.975 19.000 -0.023 0.000 0.819 24 A HN 0.452 nan 8.150 nan 0.000 0.442 25 A N 0.071 122.899 122.820 0.014 0.000 1.877 25 A HA -0.090 4.230 4.320 -0.001 0.000 0.216 25 A C 2.135 179.724 177.584 0.008 0.000 1.186 25 A CA 1.576 53.620 52.037 0.010 0.000 0.620 25 A CB -0.634 18.379 19.000 0.022 0.000 0.822 25 A HN 0.487 nan 8.150 nan 0.000 0.443 26 I N -1.152 119.426 120.570 0.014 0.000 2.179 26 I HA -0.229 3.941 4.170 -0.001 0.000 0.242 26 I C 2.688 178.792 176.117 -0.020 0.000 1.088 26 I CA 1.664 62.959 61.300 -0.008 0.000 1.357 26 I CB -0.258 37.728 38.000 -0.024 0.000 1.051 26 I HN 0.262 nan 8.210 nan 0.000 0.409 27 R N 1.715 122.201 120.500 -0.024 0.000 2.096 27 R HA -0.087 4.253 4.340 -0.001 0.000 0.235 27 R C 2.148 178.437 176.300 -0.018 0.000 1.127 27 R CA 1.817 57.903 56.100 -0.022 0.000 0.968 27 R CB -0.809 29.480 30.300 -0.017 0.000 0.861 27 R HN 0.347 nan 8.270 nan 0.000 0.440 28 A N 0.217 123.026 122.820 -0.018 0.000 1.902 28 A HA -0.031 4.289 4.320 -0.001 0.000 0.217 28 A C 2.366 179.950 177.584 -0.001 0.000 1.181 28 A CA 1.822 53.850 52.037 -0.014 0.000 0.623 28 A CB -1.049 17.943 19.000 -0.014 0.000 0.818 28 A HN 0.460 nan 8.150 nan 0.000 0.443 29 A N -0.638 122.183 122.820 0.002 0.000 1.933 29 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 29 A C 2.084 179.669 177.584 0.002 0.000 1.175 29 A CA 1.602 53.643 52.037 0.007 0.000 0.628 29 A CB -0.550 18.454 19.000 0.007 0.000 0.814 29 A HN 0.670 nan 8.150 nan 0.000 0.444 30 Q N -0.519 119.278 119.800 -0.006 0.000 2.167 30 Q HA 0.020 4.360 4.340 -0.001 0.000 0.202 30 Q C 1.361 177.358 176.000 -0.005 0.000 0.970 30 Q CA 0.962 56.760 55.803 -0.008 0.000 0.855 30 Q CB -0.235 28.495 28.738 -0.014 0.000 0.911 30 Q HN 0.643 nan 8.270 nan 0.000 0.438 31 L N -0.535 120.686 121.223 -0.004 0.000 2.612 31 L HA 0.179 4.519 4.340 -0.001 0.000 0.230 31 L C 0.858 177.730 176.870 0.004 0.000 1.140 31 L CA 0.293 55.132 54.840 -0.001 0.000 0.896 31 L CB -0.019 42.038 42.059 -0.005 0.000 1.065 31 L HN 0.403 nan 8.230 nan 0.000 0.447 32 G N 0.300 109.104 108.800 0.006 0.000 2.132 32 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.234 32 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.234 32 G C 0.071 174.981 174.900 0.018 0.000 0.989 32 G CA -0.327 44.780 45.100 0.011 0.000 0.676 32 G HN 0.217 nan 8.290 nan 0.000 0.522 33 L N 0.018 121.255 121.223 0.022 0.000 2.357 33 L HA 0.485 4.824 4.340 -0.001 0.000 0.273 33 L C 0.736 177.637 176.870 0.053 0.000 1.080 33 L CA -0.785 54.077 54.840 0.036 0.000 0.803 33 L CB 1.120 43.200 42.059 0.035 0.000 1.174 33 L HN -0.019 nan 8.230 nan 0.000 0.443 34 K N 2.212 122.657 120.400 0.075 0.000 2.285 34 K HA 0.419 4.739 4.320 -0.001 0.000 0.286 34 K C -0.960 175.761 176.600 0.201 0.000 1.072 34 K CA -0.378 55.980 56.287 0.118 0.000 0.913 34 K CB 1.388 33.938 32.500 0.084 0.000 1.067 34 K HN 0.263 nan 8.250 nan 0.000 0.479 35 V N 4.277 124.293 119.914 0.170 0.000 2.581 35 V HA 0.388 4.508 4.120 -0.001 0.000 0.303 35 V C -0.690 175.402 176.094 -0.003 0.000 1.041 35 V CA -1.086 61.270 62.300 0.094 0.000 0.907 35 V CB 1.621 33.460 31.823 0.027 0.000 0.994 35 V HN 0.533 nan 8.190 nan 0.000 0.442 36 L N 4.009 125.082 121.223 -0.249 0.000 2.349 36 L HA 0.904 5.243 4.340 -0.001 0.000 0.278 36 L C -0.073 176.612 176.870 -0.308 0.000 0.996 36 L CA -0.284 54.243 54.840 -0.521 0.000 0.825 36 L CB 1.269 42.609 42.059 -1.197 0.000 1.243 36 L HN 0.779 nan 8.230 nan 0.000 0.412 37 A N 5.131 127.816 122.820 -0.224 0.000 2.318 37 A HA 0.794 5.113 4.320 -0.001 0.000 0.324 37 A C -1.158 176.317 177.584 -0.181 0.000 1.170 37 A CA -0.545 51.398 52.037 -0.157 0.000 0.810 37 A CB 1.277 20.227 19.000 -0.084 0.000 1.198 37 A HN 0.523 nan 8.150 nan 0.000 0.484 38 V N 1.997 121.804 119.914 -0.179 0.000 2.459 38 V HA 0.613 4.733 4.120 -0.001 0.000 0.295 38 V C -0.354 175.661 176.094 -0.132 0.000 1.029 38 V CA -0.483 61.708 62.300 -0.183 0.000 0.874 38 V CB 1.458 33.146 31.823 -0.225 0.000 0.985 38 V HN 0.964 nan 8.190 nan 0.000 0.438 39 E N 3.121 123.260 120.200 -0.103 0.000 2.241 39 E HA 0.686 5.036 4.350 -0.001 0.000 0.263 39 E C 0.288 176.862 176.600 -0.044 0.000 0.882 39 E CA -0.105 56.253 56.400 -0.070 0.000 0.769 39 E CB 1.814 31.486 29.700 -0.046 0.000 1.185 39 E HN 0.643 nan 8.360 nan 0.000 0.415 40 A N 3.171 125.974 122.820 -0.029 0.000 2.067 40 A HA 0.364 4.684 4.320 -0.001 0.000 0.217 40 A C 1.120 178.736 177.584 0.054 0.000 1.156 40 A CA 1.355 53.422 52.037 0.049 0.000 0.683 40 A CB -0.076 19.016 19.000 0.152 0.000 0.808 40 A HN 0.608 nan 8.150 nan 0.000 0.455 41 G N -1.151 107.664 108.800 0.025 0.000 3.377 41 G HA2 0.458 4.418 3.960 -0.001 0.000 0.182 41 G HA3 0.458 4.418 3.960 -0.001 0.000 0.182 41 G C -0.941 173.958 174.900 -0.002 0.000 1.166 41 G CA -0.369 44.741 45.100 0.016 0.000 0.771 41 G HN 0.066 nan 8.290 nan 0.000 0.701 42 E N 0.721 120.917 120.200 -0.008 0.000 2.313 42 E HA 0.371 4.720 4.350 -0.001 0.000 0.276 42 E C 0.047 176.637 176.600 -0.018 0.000 1.031 42 E CA -0.324 56.065 56.400 -0.018 0.000 0.857 42 E CB 1.979 31.665 29.700 -0.025 0.000 1.040 42 E HN 0.091 nan 8.360 nan 0.000 0.408 43 V N 2.097 121.994 119.914 -0.029 0.000 2.763 43 V HA 0.246 4.365 4.120 -0.001 0.000 0.306 43 V C 1.529 177.607 176.094 -0.028 0.000 1.059 43 V CA 1.715 63.996 62.300 -0.032 0.000 1.138 43 V CB 0.713 32.500 31.823 -0.059 0.000 0.940 43 V HN 1.028 nan 8.190 nan 0.000 0.489 44 G N 2.605 111.413 108.800 0.013 0.000 2.238 44 G HA2 0.110 4.070 3.960 -0.001 0.000 0.217 44 G HA3 0.110 4.070 3.960 -0.001 0.000 0.217 44 G C 0.948 175.911 174.900 0.105 0.000 0.996 44 G CA 0.176 45.310 45.100 0.056 0.000 0.632 44 G HN 2.297 nan 8.290 nan 0.000 0.503 45 G N -1.295 107.539 108.800 0.057 0.000 2.645 45 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.246 45 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.246 45 G C 1.072 175.983 174.900 0.019 0.000 1.322 45 G CA 1.018 46.142 45.100 0.039 0.000 0.898 45 G HN 1.306 nan 8.290 nan 0.000 0.573 46 V N -0.030 119.891 119.914 0.011 0.000 2.261 46 V HA -0.251 3.869 4.120 -0.001 0.000 0.246 46 V C 3.178 179.269 176.094 -0.004 0.000 1.047 46 V CA 2.968 65.266 62.300 -0.003 0.000 1.015 46 V CB -1.144 30.676 31.823 -0.004 0.000 0.642 46 V HN 1.146 nan 8.190 nan 0.000 0.446 47 c N -0.050 118.554 118.600 0.007 0.000 2.385 47 c HA -0.202 4.368 4.570 -0.001 0.000 0.275 47 c C 2.540 176.626 174.090 -0.006 0.000 1.207 47 c CA 1.610 57.941 56.329 0.004 0.000 1.760 47 c CB -1.081 41.442 42.510 0.021 0.000 2.051 47 c HN 0.538 nan 8.230 nan 0.000 0.467 48 L N 1.060 122.291 121.223 0.012 0.000 2.209 48 L HA 0.048 4.388 4.340 -0.001 0.000 0.207 48 L C 2.413 179.256 176.870 -0.045 0.000 1.094 48 L CA 1.553 56.384 54.840 -0.015 0.000 0.790 48 L CB -0.842 41.218 42.059 0.001 0.000 0.932 48 L HN 0.426 nan 8.230 nan 0.000 0.447 49 N N -0.513 118.166 118.700 -0.035 0.000 2.278 49 N HA 0.026 4.766 4.740 -0.001 0.000 0.181 49 N C 1.129 176.606 175.510 -0.055 0.000 1.023 49 N CA 1.696 54.718 53.050 -0.048 0.000 0.862 49 N CB 0.673 39.138 38.487 -0.037 0.000 1.003 49 N HN 0.302 nan 8.380 nan 0.000 0.431 50 V N -3.351 116.536 119.914 -0.045 0.000 3.172 50 V HA 0.624 4.744 4.120 -0.001 0.000 0.343 50 V C 0.557 176.628 176.094 -0.038 0.000 1.429 50 V CA -0.116 62.155 62.300 -0.048 0.000 1.149 50 V CB 0.552 32.344 31.823 -0.052 0.000 1.106 50 V HN 0.136 nan 8.190 nan 0.000 0.526 51 G N -0.172 108.607 108.800 -0.036 0.000 3.054 51 G HA2 0.182 4.141 3.960 -0.001 0.000 0.201 51 G HA3 0.182 4.141 3.960 -0.001 0.000 0.201 51 G C 1.030 175.904 174.900 -0.044 0.000 1.694 51 G CA 0.736 45.820 45.100 -0.027 0.000 0.742 51 G HN 0.258 nan 8.290 nan 0.000 0.790 52 c N 1.043 119.614 118.600 -0.049 0.000 2.336 52 c HA -0.120 4.449 4.570 -0.001 0.000 0.275 52 c C 2.815 176.823 174.090 -0.136 0.000 1.175 52 c CA 0.777 57.047 56.329 -0.098 0.000 1.771 52 c CB -1.265 41.199 42.510 -0.077 0.000 2.030 52 c HN 0.421 nan 8.230 nan 0.000 0.442 53 I N 2.310 122.814 120.570 -0.109 0.000 2.076 53 I HA -0.132 4.037 4.170 -0.001 0.000 0.237 53 I C 0.151 176.179 176.117 -0.148 0.000 1.059 53 I CA 1.970 63.192 61.300 -0.130 0.000 1.317 53 I CB -2.929 35.003 38.000 -0.114 0.000 1.037 53 I HN 0.286 nan 8.210 nan 0.000 0.398 54 P HA -0.106 nan 4.420 nan 0.000 0.218 54 P C 1.605 178.855 177.300 -0.083 0.000 1.149 54 P CA 1.586 64.609 63.100 -0.129 0.000 0.817 54 P CB -0.218 31.421 31.700 -0.102 0.000 0.785 55 T N 0.187 114.702 114.554 -0.065 0.000 2.777 55 T HA -0.074 4.276 4.350 -0.001 0.000 0.266 55 T C 1.854 176.537 174.700 -0.028 0.000 1.040 55 T CA 1.479 63.562 62.100 -0.028 0.000 1.141 55 T CB -0.358 68.498 68.868 -0.020 0.000 0.868 55 T HN 0.084 nan 8.240 nan 0.000 0.444 56 K N 1.339 121.681 120.400 -0.096 0.000 2.148 56 K HA 0.199 4.518 4.320 -0.001 0.000 0.204 56 K C 2.296 178.925 176.600 0.048 0.000 1.050 56 K CA 0.908 57.144 56.287 -0.085 0.000 0.942 56 K CB -0.471 31.892 32.500 -0.228 0.000 0.724 56 K HN 0.302 nan 8.250 nan 0.000 0.446 57 A N 0.461 123.281 122.820 0.001 0.000 1.898 57 A HA -0.097 4.223 4.320 -0.001 0.000 0.216 57 A C 2.052 179.827 177.584 0.318 0.000 1.181 57 A CA 1.184 53.271 52.037 0.083 0.000 0.620 57 A CB -0.582 18.189 19.000 -0.383 0.000 0.819 57 A HN 0.191 nan 8.150 nan 0.000 0.442 58 L N -0.687 120.629 121.223 0.156 0.000 2.056 58 L HA -0.161 4.178 4.340 -0.001 0.000 0.207 58 L C 2.553 179.509 176.870 0.143 0.000 1.078 58 L CA 0.993 55.922 54.840 0.149 0.000 0.749 58 L CB -0.575 41.517 42.059 0.056 0.000 0.901 58 L HN 0.358 nan 8.230 nan 0.000 0.433 59 L N -0.887 120.417 121.223 0.135 0.000 2.079 59 L HA -0.270 4.069 4.340 -0.001 0.000 0.210 59 L C 2.680 179.649 176.870 0.165 0.000 1.081 59 L CA 1.253 56.173 54.840 0.134 0.000 0.752 59 L CB -0.622 41.525 42.059 0.147 0.000 0.896 59 L HN 0.327 nan 8.230 nan 0.000 0.433 60 H N -0.118 119.039 119.070 0.146 0.000 2.357 60 H HA -0.109 4.446 4.556 -0.001 0.000 0.301 60 H C 2.117 177.505 175.328 0.100 0.000 1.082 60 H CA 1.477 57.610 56.048 0.142 0.000 1.342 60 H CB 0.063 29.948 29.762 0.204 0.000 1.389 60 H HN 0.266 nan 8.280 nan 0.000 0.511 61 A N 0.883 123.735 122.820 0.053 0.000 1.902 61 A HA -0.086 4.233 4.320 -0.001 0.000 0.217 61 A C 2.622 180.161 177.584 -0.074 0.000 1.181 61 A CA 1.867 53.860 52.037 -0.073 0.000 0.623 61 A CB -1.393 17.640 19.000 0.055 0.000 0.818 61 A HN 0.618 nan 8.150 nan 0.000 0.443 62 A N -0.316 122.500 122.820 -0.007 0.000 1.902 62 A HA -0.139 4.181 4.320 -0.001 0.000 0.217 62 A C 1.978 179.577 177.584 0.026 0.000 1.181 62 A CA 2.149 54.190 52.037 0.008 0.000 0.623 62 A CB -0.450 18.559 19.000 0.016 0.000 0.818 62 A HN 0.560 nan 8.150 nan 0.000 0.443 63 E N -0.175 120.026 120.200 0.002 0.000 2.150 63 E HA -0.098 4.252 4.350 -0.001 0.000 0.193 63 E C 1.893 178.509 176.600 0.027 0.000 0.985 63 E CA 1.930 58.355 56.400 0.041 0.000 0.814 63 E CB -0.632 29.084 29.700 0.028 0.000 0.752 63 E HN 0.482 nan 8.360 nan 0.000 0.466 64 T N 0.958 115.434 114.554 -0.129 0.000 2.737 64 T HA -0.123 4.226 4.350 -0.001 0.000 0.265 64 T C 1.670 176.359 174.700 -0.017 0.000 1.038 64 T CA 1.247 63.271 62.100 -0.126 0.000 1.144 64 T CB -0.369 68.327 68.868 -0.287 0.000 0.866 64 T HN 0.165 nan 8.240 nan 0.000 0.434 65 L N 0.684 121.896 121.223 -0.019 0.000 1.994 65 L HA -0.051 4.288 4.340 -0.001 0.000 0.208 65 L C 2.319 179.211 176.870 0.037 0.000 1.071 65 L CA 2.072 56.912 54.840 0.001 0.000 0.745 65 L CB -0.860 41.200 42.059 0.001 0.000 0.892 65 L HN 0.333 nan 8.230 nan 0.000 0.431 66 H N -1.681 117.389 119.070 -0.001 0.000 2.319 66 H HA -0.264 4.292 4.556 -0.001 0.000 0.299 66 H C 2.202 177.552 175.328 0.037 0.000 1.092 66 H CA 2.242 58.301 56.048 0.018 0.000 1.302 66 H CB -0.207 29.576 29.762 0.036 0.000 1.373 66 H HN 0.608 nan 8.280 nan 0.000 0.497 67 H N -0.179 118.882 119.070 -0.015 0.000 2.518 67 H HA -0.023 4.532 4.556 -0.001 0.000 0.289 67 H C 1.981 177.229 175.328 -0.134 0.000 1.051 67 H CA 1.088 57.099 56.048 -0.061 0.000 1.280 67 H CB -0.243 29.544 29.762 0.041 0.000 1.380 67 H HN 0.394 nan 8.280 nan 0.000 0.566 68 L N -0.226 120.906 121.223 -0.153 0.000 2.265 68 L HA -0.152 4.188 4.340 -0.001 0.000 0.215 68 L C 2.184 178.866 176.870 -0.314 0.000 1.117 68 L CA 1.091 55.800 54.840 -0.218 0.000 0.782 68 L CB -0.207 41.778 42.059 -0.123 0.000 0.914 68 L HN 0.291 nan 8.230 nan 0.000 0.441 69 K N -0.411 119.791 120.400 -0.331 0.000 2.057 69 K HA -0.102 4.217 4.320 -0.001 0.000 0.206 69 K C 2.065 178.445 176.600 -0.367 0.000 1.050 69 K CA 0.963 57.061 56.287 -0.315 0.000 0.935 69 K CB -0.174 32.131 32.500 -0.326 0.000 0.715 69 K HN 0.060 nan 8.250 nan 0.000 0.439 70 V N 1.419 121.057 119.914 -0.460 0.000 2.427 70 V HA -0.199 3.921 4.120 -0.001 0.000 0.248 70 V C 2.259 177.939 176.094 -0.690 0.000 1.051 70 V CA 1.871 63.894 62.300 -0.462 0.000 1.048 70 V CB -0.459 31.096 31.823 -0.446 0.000 0.666 70 V HN 0.348 nan 8.190 nan 0.000 0.456 71 A N -0.201 122.063 122.820 -0.926 0.000 1.972 71 A HA -0.258 4.061 4.320 -0.001 0.000 0.219 71 A C 2.131 179.036 177.584 -1.131 0.000 1.169 71 A CA 1.941 53.056 52.037 -1.537 0.000 0.635 71 A CB -0.461 18.050 19.000 -0.815 0.000 0.810 71 A HN 0.567 nan 8.150 nan 0.000 0.446 72 E N 0.021 119.866 120.200 -0.593 0.000 2.160 72 E HA -0.085 4.264 4.350 -0.001 0.000 0.195 72 E C 1.905 178.313 176.600 -0.319 0.000 0.991 72 E CA 1.279 57.464 56.400 -0.358 0.000 0.810 72 E CB -0.637 28.919 29.700 -0.240 0.000 0.742 72 E HN 0.464 nan 8.360 nan 0.000 0.466 73 G N -0.120 108.459 108.800 -0.369 0.000 2.448 73 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.219 73 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.219 73 G C 0.793 175.648 174.900 -0.074 0.000 1.127 73 G CA 0.883 45.865 45.100 -0.196 0.000 0.766 73 G HN 0.420 nan 8.290 nan 0.000 0.552 74 F N -1.284 118.635 119.950 -0.051 0.000 2.850 74 F HA 0.588 5.115 4.527 -0.001 0.000 0.306 74 F C 1.225 177.008 175.800 -0.028 0.000 1.162 74 F CA -1.680 56.300 58.000 -0.032 0.000 1.327 74 F CB -0.018 38.968 39.000 -0.024 0.000 0.953 74 F HN 0.113 nan 8.300 nan 0.000 0.507 75 G N 0.878 109.714 108.800 0.060 0.000 2.175 75 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.244 75 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.244 75 G C -0.426 174.488 174.900 0.023 0.000 0.982 75 G CA -0.004 45.127 45.100 0.052 0.000 0.641 75 G HN 0.465 nan 8.290 nan 0.000 0.527 76 L N 1.630 122.826 121.223 -0.045 0.000 2.312 76 L HA 0.647 4.987 4.340 -0.001 0.000 0.287 76 L C 0.481 177.291 176.870 -0.100 0.000 1.091 76 L CA -0.567 54.248 54.840 -0.041 0.000 0.846 76 L CB 0.449 42.488 42.059 -0.033 0.000 1.219 76 L HN 0.247 nan 8.230 nan 0.000 0.439 77 K N 4.344 124.710 120.400 -0.057 0.000 2.185 77 K HA 0.863 5.182 4.320 -0.001 0.000 0.269 77 K C -0.977 175.593 176.600 -0.049 0.000 0.987 77 K CA -0.135 56.114 56.287 -0.062 0.000 0.865 77 K CB 1.131 33.604 32.500 -0.045 0.000 1.090 77 K HN 0.718 nan 8.250 nan 0.000 0.450 81 P HA 0.358 nan 4.420 nan 0.000 0.268 81 P C -0.900 176.383 177.300 -0.028 0.000 1.204 81 P CA 0.346 63.425 63.100 -0.035 0.000 0.768 81 P CB 0.888 32.563 31.700 -0.043 0.000 0.842 82 E N 2.223 122.409 120.200 -0.025 0.000 2.241 82 E HA 0.287 4.637 4.350 -0.001 0.000 0.263 82 E C -0.981 175.607 176.600 -0.020 0.000 0.882 82 E CA -0.939 55.450 56.400 -0.018 0.000 0.769 82 E CB 2.361 32.053 29.700 -0.014 0.000 1.185 82 E HN 0.298 nan 8.360 nan 0.000 0.415 83 L N 2.864 124.077 121.223 -0.017 0.000 2.265 83 L HA 0.292 4.632 4.340 -0.001 0.000 0.289 83 L C -0.466 176.398 176.870 -0.009 0.000 1.033 83 L CA -0.334 54.495 54.840 -0.018 0.000 0.814 83 L CB 0.908 42.955 42.059 -0.019 0.000 1.203 83 L HN 0.354 nan 8.230 nan 0.000 0.423 84 D N 3.535 123.930 120.400 -0.008 0.000 2.336 84 D HA 0.148 4.787 4.640 -0.001 0.000 0.249 84 D C 1.163 177.469 176.300 0.010 0.000 1.213 84 D CA -0.036 53.965 54.000 0.002 0.000 0.870 84 D CB 0.749 41.551 40.800 0.003 0.000 1.076 84 D HN 0.621 nan 8.370 nan 0.000 0.483 85 L N 3.327 124.556 121.223 0.011 0.000 2.131 85 L HA -0.118 4.222 4.340 -0.001 0.000 0.210 85 L C 2.189 179.073 176.870 0.023 0.000 1.092 85 L CA 0.784 55.631 54.840 0.013 0.000 0.759 85 L CB -0.342 41.722 42.059 0.008 0.000 0.903 85 L HN 0.388 nan 8.230 nan 0.000 0.435 86 K N 0.841 121.255 120.400 0.023 0.000 2.057 86 K HA -0.194 4.126 4.320 -0.001 0.000 0.206 86 K C 2.085 178.708 176.600 0.039 0.000 1.050 86 K CA 1.329 57.631 56.287 0.025 0.000 0.935 86 K CB -0.051 32.462 32.500 0.021 0.000 0.715 86 K HN -0.080 nan 8.250 nan 0.000 0.439 87 K N 0.260 120.683 120.400 0.040 0.000 2.097 87 K HA -0.068 4.252 4.320 -0.001 0.000 0.205 87 K C 1.849 178.509 176.600 0.100 0.000 1.050 87 K CA 1.041 57.361 56.287 0.055 0.000 0.938 87 K CB -0.488 32.030 32.500 0.030 0.000 0.718 87 K HN 0.138 nan 8.250 nan 0.000 0.442 88 L N 0.294 121.573 121.223 0.092 0.000 2.017 88 L HA 0.034 4.373 4.340 -0.001 0.000 0.208 88 L C 2.088 179.071 176.870 0.188 0.000 1.073 88 L CA 2.457 57.393 54.840 0.161 0.000 0.745 88 L CB -1.257 40.864 42.059 0.103 0.000 0.894 88 L HN 0.282 nan 8.230 nan 0.000 0.432 89 G N -1.043 107.814 108.800 0.096 0.000 2.442 89 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.219 89 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.219 89 G C 1.509 176.443 174.900 0.057 0.000 1.141 89 G CA 0.626 45.760 45.100 0.055 0.000 0.763 89 G HN 0.625 nan 8.290 nan 0.000 0.554 90 G N -0.152 108.698 108.800 0.083 0.000 2.418 90 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.217 90 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.217 90 G C 1.571 176.540 174.900 0.115 0.000 1.158 90 G CA 0.970 46.117 45.100 0.077 0.000 0.771 90 G HN 0.479 nan 8.290 nan 0.000 0.545 91 W N 1.506 122.802 121.300 -0.006 0.000 2.355 91 W HA -0.024 4.635 4.660 -0.001 0.000 0.309 91 W C 2.670 179.186 176.519 -0.005 0.000 1.206 91 W CA 1.511 58.855 57.345 -0.002 0.000 1.284 91 W CB -0.301 29.163 29.460 0.008 0.000 1.145 91 W HN 0.117 nan 8.180 nan 0.000 0.502 92 R N 0.445 120.859 120.500 -0.143 0.000 2.096 92 R HA -0.214 4.125 4.340 -0.001 0.000 0.240 92 R C 1.787 177.914 176.300 -0.288 0.000 1.139 92 R CA 2.380 58.271 56.100 -0.349 0.000 0.952 92 R CB -0.876 29.348 30.300 -0.126 0.000 0.854 92 R HN 0.107 nan 8.270 nan 0.000 0.436 93 D N 0.145 120.456 120.400 -0.149 0.000 2.144 93 D HA -0.220 4.420 4.640 -0.001 0.000 0.199 93 D C 1.862 178.081 176.300 -0.135 0.000 0.984 93 D CA 1.178 55.108 54.000 -0.117 0.000 0.834 93 D CB -0.296 40.468 40.800 -0.061 0.000 0.955 93 D HN 0.459 nan 8.370 nan 0.000 0.465 94 Q N 0.696 120.412 119.800 -0.140 0.000 2.050 94 Q HA -0.130 4.210 4.340 -0.001 0.000 0.202 94 Q C 2.128 178.015 176.000 -0.189 0.000 0.980 94 Q CA 1.183 56.915 55.803 -0.119 0.000 0.840 94 Q CB 0.095 28.808 28.738 -0.043 0.000 0.898 94 Q HN 0.080 nan 8.270 nan 0.000 0.424 95 V N 0.282 119.981 119.914 -0.359 0.000 2.295 95 V HA -0.248 3.871 4.120 -0.001 0.000 0.246 95 V C 2.383 178.337 176.094 -0.233 0.000 1.049 95 V CA 1.542 63.627 62.300 -0.358 0.000 1.024 95 V CB -0.439 31.016 31.823 -0.613 0.000 0.648 95 V HN 0.270 nan 8.190 nan 0.000 0.447 96 V N 0.014 119.795 119.914 -0.222 0.000 2.295 96 V HA -0.307 3.813 4.120 -0.001 0.000 0.246 96 V C 2.439 178.463 176.094 -0.116 0.000 1.049 96 V CA 2.479 64.688 62.300 -0.153 0.000 1.024 96 V CB -0.679 31.062 31.823 -0.136 0.000 0.648 96 V HN 0.576 nan 8.190 nan 0.000 0.447 97 K N -0.034 120.301 120.400 -0.107 0.000 2.097 97 K HA -0.245 4.075 4.320 -0.001 0.000 0.206 97 K C 2.378 178.931 176.600 -0.079 0.000 1.049 97 K CA 1.440 57.678 56.287 -0.082 0.000 0.933 97 K CB -0.152 32.307 32.500 -0.067 0.000 0.717 97 K HN 0.172 nan 8.250 nan 0.000 0.442 98 K N 1.201 121.550 120.400 -0.085 0.000 2.026 98 K HA -0.118 4.202 4.320 -0.001 0.000 0.208 98 K C 2.101 178.654 176.600 -0.080 0.000 1.048 98 K CA 1.380 57.623 56.287 -0.073 0.000 0.929 98 K CB -0.299 32.160 32.500 -0.069 0.000 0.713 98 K HN 0.243 nan 8.250 nan 0.000 0.439 99 L N 0.557 121.725 121.223 -0.092 0.000 2.072 99 L HA -0.135 4.205 4.340 -0.001 0.000 0.205 99 L C 2.537 179.339 176.870 -0.114 0.000 1.079 99 L CA 1.732 56.515 54.840 -0.094 0.000 0.752 99 L CB -0.854 41.154 42.059 -0.086 0.000 0.906 99 L HN 0.280 nan 8.230 nan 0.000 0.436 100 T N -3.098 111.394 114.554 -0.103 0.000 2.867 100 T HA -0.096 4.254 4.350 -0.001 0.000 0.268 100 T C 1.908 176.541 174.700 -0.113 0.000 1.057 100 T CA 1.023 63.058 62.100 -0.109 0.000 1.136 100 T CB -0.813 68.006 68.868 -0.082 0.000 0.874 100 T HN 0.379 nan 8.240 nan 0.000 0.466 101 G N 0.998 109.742 108.800 -0.094 0.000 2.422 101 G HA2 0.156 4.115 3.960 -0.001 0.000 0.218 101 G HA3 0.156 4.115 3.960 -0.001 0.000 0.218 101 G C 1.660 176.502 174.900 -0.097 0.000 1.140 101 G CA 0.502 45.552 45.100 -0.083 0.000 0.775 101 G HN 0.641 nan 8.290 nan 0.000 0.545 102 G N 0.410 109.145 108.800 -0.110 0.000 2.422 102 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.218 102 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.218 102 G C 1.710 176.506 174.900 -0.172 0.000 1.140 102 G CA 1.079 46.107 45.100 -0.119 0.000 0.775 102 G HN 0.302 nan 8.290 nan 0.000 0.545 103 V N 1.462 121.230 119.914 -0.244 0.000 2.358 103 V HA -0.031 4.089 4.120 -0.001 0.000 0.246 103 V C 3.117 179.069 176.094 -0.236 0.000 1.047 103 V CA 1.899 63.973 62.300 -0.377 0.000 1.035 103 V CB -0.918 30.578 31.823 -0.546 0.000 0.658 103 V HN 0.416 nan 8.190 nan 0.000 0.452 104 G N -0.410 108.293 108.800 -0.162 0.000 2.422 104 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.218 104 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.218 104 G C 1.684 176.531 174.900 -0.089 0.000 1.146 104 G CA 1.533 46.568 45.100 -0.108 0.000 0.769 104 G HN 0.471 nan 8.290 nan 0.000 0.547 105 T N 1.168 115.668 114.554 -0.091 0.000 2.821 105 T HA 0.019 4.369 4.350 -0.001 0.000 0.267 105 T C 2.414 177.071 174.700 -0.070 0.000 1.046 105 T CA 0.688 62.747 62.100 -0.070 0.000 1.139 105 T CB -0.125 68.704 68.868 -0.064 0.000 0.871 105 T HN 0.145 nan 8.240 nan 0.000 0.454 106 L N 0.318 121.484 121.223 -0.096 0.000 2.056 106 L HA 0.009 4.348 4.340 -0.001 0.000 0.207 106 L C 2.443 179.273 176.870 -0.066 0.000 1.078 106 L CA 0.965 55.753 54.840 -0.086 0.000 0.749 106 L CB -0.527 41.461 42.059 -0.119 0.000 0.901 106 L HN 0.240 nan 8.230 nan 0.000 0.433 107 L N -0.255 120.923 121.223 -0.075 0.000 1.989 107 L HA -0.273 4.067 4.340 -0.001 0.000 0.211 107 L C 2.741 179.592 176.870 -0.032 0.000 1.071 107 L CA 1.509 56.322 54.840 -0.046 0.000 0.749 107 L CB -0.549 41.480 42.059 -0.049 0.000 0.890 107 L HN 0.263 nan 8.230 nan 0.000 0.431 108 K N 0.184 120.562 120.400 -0.036 0.000 2.057 108 K HA -0.153 4.167 4.320 -0.001 0.000 0.207 108 K C 1.978 178.567 176.600 -0.018 0.000 1.049 108 K CA 1.424 57.698 56.287 -0.023 0.000 0.931 108 K CB -0.305 32.181 32.500 -0.025 0.000 0.714 108 K HN 0.376 nan 8.250 nan 0.000 0.440 109 G N 0.747 109.532 108.800 -0.026 0.000 2.470 109 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.220 109 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.220 109 G C 1.152 176.041 174.900 -0.017 0.000 1.121 109 G CA 0.482 45.569 45.100 -0.022 0.000 0.766 109 G HN 0.335 nan 8.290 nan 0.000 0.553 110 N N 0.323 119.013 118.700 -0.016 0.000 2.280 110 N HA 0.090 4.830 4.740 -0.001 0.000 0.192 110 N C 1.576 177.086 175.510 0.001 0.000 1.109 110 N CA 0.735 53.779 53.050 -0.010 0.000 0.855 110 N CB 0.577 39.056 38.487 -0.013 0.000 0.974 110 N HN 0.351 nan 8.380 nan 0.000 0.482 111 G N 0.742 109.544 108.800 0.003 0.000 2.143 111 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.248 111 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.248 111 G C 0.036 174.954 174.900 0.030 0.000 0.991 111 G CA 0.028 45.138 45.100 0.016 0.000 0.689 111 G HN 0.161 nan 8.290 nan 0.000 0.522 112 V N 0.967 120.891 119.914 0.017 0.000 2.530 112 V HA 0.359 4.478 4.120 -0.001 0.000 0.282 112 V C 0.767 176.867 176.094 0.011 0.000 1.048 112 V CA -0.515 61.795 62.300 0.016 0.000 0.997 112 V CB 1.778 33.599 31.823 -0.004 0.000 0.987 112 V HN 0.340 nan 8.190 nan 0.000 0.477 113 E N 3.260 123.472 120.200 0.020 0.000 2.229 113 E HA 0.278 4.628 4.350 -0.001 0.000 0.283 113 E C -1.029 175.529 176.600 -0.070 0.000 1.030 113 E CA -0.621 55.783 56.400 0.007 0.000 0.836 113 E CB 1.682 31.432 29.700 0.083 0.000 1.068 113 E HN 0.464 nan 8.360 nan 0.000 0.401 114 L N 5.987 127.175 121.223 -0.057 0.000 2.272 114 L HA 0.342 4.682 4.340 -0.001 0.000 0.289 114 L C -1.358 175.459 176.870 -0.089 0.000 1.032 114 L CA -0.594 54.198 54.840 -0.079 0.000 0.810 114 L CB 1.089 43.114 42.059 -0.056 0.000 1.205 114 L HN 0.375 nan 8.230 nan 0.000 0.422 115 L N 5.598 126.740 121.223 -0.134 0.000 2.333 115 L HA 0.602 4.941 4.340 -0.001 0.000 0.280 115 L C -0.638 176.170 176.870 -0.103 0.000 1.004 115 L CA -0.257 54.502 54.840 -0.136 0.000 0.820 115 L CB 1.340 43.243 42.059 -0.259 0.000 1.247 115 L HN 0.613 nan 8.230 nan 0.000 0.416 116 R N 4.091 124.557 120.500 -0.057 0.000 2.265 116 R HA 0.833 5.173 4.340 -0.001 0.000 0.319 116 R C -0.252 176.041 176.300 -0.011 0.000 1.006 116 R CA -0.319 55.761 56.100 -0.033 0.000 0.880 116 R CB 1.319 31.610 30.300 -0.015 0.000 1.077 116 R HN 0.944 nan 8.270 nan 0.000 0.454 117 G N 1.942 110.743 108.800 0.002 0.000 2.352 117 G HA2 0.071 4.031 3.960 -0.001 0.000 0.302 117 G HA3 0.071 4.031 3.960 -0.001 0.000 0.302 117 G C -2.019 172.925 174.900 0.073 0.000 1.370 117 G CA -1.001 44.131 45.100 0.052 0.000 0.918 117 G HN 0.393 nan 8.290 nan 0.000 0.610 118 F N 1.961 121.904 119.950 -0.012 0.000 2.371 118 F HA 0.680 5.207 4.527 -0.001 0.000 0.363 118 F C 0.696 176.493 175.800 -0.005 0.000 1.122 118 F CA 0.038 58.032 58.000 -0.011 0.000 1.129 118 F CB 0.912 39.909 39.000 -0.005 0.000 1.173 118 F HN 0.796 nan 8.300 nan 0.000 0.489 119 A N 7.301 129.923 122.820 -0.330 0.000 2.354 119 A HA 0.743 5.062 4.320 -0.001 0.000 0.269 119 A C -0.400 177.090 177.584 -0.156 0.000 1.109 119 A CA -0.565 51.364 52.037 -0.180 0.000 0.800 119 A CB 0.538 19.415 19.000 -0.204 0.000 1.045 119 A HN 0.874 nan 8.150 nan 0.000 0.489 120 R N 1.525 122.039 120.500 0.023 0.000 2.574 120 R HA 0.422 4.762 4.340 -0.001 0.000 0.288 120 R C -1.655 174.676 176.300 0.053 0.000 1.004 120 R CA -0.920 55.223 56.100 0.071 0.000 0.895 120 R CB 1.535 31.933 30.300 0.164 0.000 1.191 120 R HN 0.545 nan 8.270 nan 0.000 0.444 121 L N 2.274 123.518 121.223 0.036 0.000 2.439 121 L HA 0.119 4.459 4.340 -0.001 0.000 0.269 121 L C 1.173 178.068 176.870 0.043 0.000 1.179 121 L CA 0.416 55.277 54.840 0.035 0.000 0.828 121 L CB 1.432 43.505 42.059 0.022 0.000 1.106 121 L HN 0.662 nan 8.230 nan 0.000 0.467 122 V N -1.259 118.680 119.914 0.042 0.000 3.398 122 V HA 0.795 4.914 4.120 -0.001 0.000 0.298 122 V C 0.379 176.490 176.094 0.029 0.000 1.496 122 V CA 0.440 62.762 62.300 0.037 0.000 1.044 122 V CB 0.034 31.881 31.823 0.040 0.000 0.880 122 V HN 0.789 nan 8.190 nan 0.000 0.443 123 G N -0.425 108.392 108.800 0.028 0.000 2.506 123 G HA2 0.508 4.467 3.960 -0.001 0.000 0.292 123 G HA3 0.508 4.467 3.960 -0.001 0.000 0.292 123 G C -2.838 172.074 174.900 0.020 0.000 1.425 123 G CA -0.205 44.908 45.100 0.022 0.000 0.788 123 G HN -0.092 nan 8.290 nan 0.000 0.490 124 P HA -0.047 nan 4.420 nan 0.000 0.216 124 P C 0.863 178.171 177.300 0.014 0.000 1.150 124 P CA 1.399 64.504 63.100 0.008 0.000 0.843 124 P CB 0.274 31.977 31.700 0.004 0.000 0.787 125 K N -1.112 119.303 120.400 0.025 0.000 2.734 125 K HA 0.244 4.563 4.320 -0.001 0.000 0.200 125 K C -0.215 176.416 176.600 0.053 0.000 1.120 125 K CA 0.016 56.325 56.287 0.037 0.000 1.067 125 K CB 1.068 33.591 32.500 0.039 0.000 0.771 125 K HN 0.243 nan 8.250 nan 0.000 0.481 126 E N 0.768 120.998 120.200 0.050 0.000 2.272 126 E HA 0.429 4.779 4.350 -0.001 0.000 0.269 126 E C -1.239 175.403 176.600 0.070 0.000 0.877 126 E CA -0.696 55.744 56.400 0.066 0.000 0.755 126 E CB 1.887 31.618 29.700 0.052 0.000 1.192 126 E HN -0.205 nan 8.360 nan 0.000 0.422 127 V N 2.927 122.904 119.914 0.105 0.000 2.864 127 V HA 0.451 4.571 4.120 -0.001 0.000 0.314 127 V C -0.582 175.612 176.094 0.166 0.000 1.073 127 V CA -0.825 61.537 62.300 0.105 0.000 0.956 127 V CB 1.884 33.749 31.823 0.070 0.000 1.023 127 V HN 0.754 nan 8.190 nan 0.000 0.435 128 E N 1.691 121.974 120.200 0.139 0.000 2.199 128 E HA 0.735 5.084 4.350 -0.001 0.000 0.265 128 E C -1.689 175.016 176.600 0.176 0.000 0.882 128 E CA -0.304 56.193 56.400 0.160 0.000 0.759 128 E CB 2.099 31.860 29.700 0.102 0.000 1.148 128 E HN 0.486 nan 8.360 nan 0.000 0.412 135 G N -0.298 108.551 108.800 0.083 0.000 2.199 135 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.254 135 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.254 135 G C 0.045 174.963 174.900 0.030 0.000 0.982 135 G CA 0.492 45.622 45.100 0.051 0.000 0.632 135 G HN 0.538 nan 8.290 nan 0.000 0.529 136 E N 0.414 120.643 120.200 0.048 0.000 2.214 136 E HA 0.613 4.962 4.350 -0.001 0.000 0.274 136 E C 0.231 176.750 176.600 -0.136 0.000 0.977 136 E CA -0.698 55.658 56.400 -0.072 0.000 0.827 136 E CB 1.066 30.710 29.700 -0.094 0.000 1.130 136 E HN 0.232 nan 8.360 nan 0.000 0.394 137 R N 1.800 122.118 120.500 -0.303 0.000 2.474 137 R HA 0.488 4.828 4.340 -0.001 0.000 0.295 137 R C -0.712 175.315 176.300 -0.454 0.000 0.980 137 R CA -0.671 55.302 56.100 -0.212 0.000 0.934 137 R CB 0.581 30.823 30.300 -0.097 0.000 1.101 137 R HN 0.481 nan 8.270 nan 0.000 0.469 138 Y N -1.039 119.290 120.300 0.048 0.000 2.457 138 Y HA 0.605 5.155 4.550 -0.001 0.000 0.343 138 Y C 0.660 176.601 175.900 0.069 0.000 0.994 138 Y CA -0.939 57.206 58.100 0.076 0.000 1.031 138 Y CB 2.668 41.159 38.460 0.052 0.000 1.246 138 Y HN 0.732 nan 8.280 nan 0.000 0.449 139 G N 0.491 109.433 108.800 0.237 0.000 2.533 139 G HA2 0.869 4.829 3.960 -0.001 0.000 0.304 139 G HA3 0.869 4.829 3.960 -0.001 0.000 0.304 139 G C -1.678 173.329 174.900 0.178 0.000 1.263 139 G CA -0.846 44.350 45.100 0.160 0.000 0.964 139 G HN 0.906 nan 8.290 nan 0.000 0.479 140 A N 0.724 123.622 122.820 0.130 0.000 2.605 140 A HA 0.670 4.990 4.320 -0.001 0.000 0.294 140 A C 0.670 178.311 177.584 0.095 0.000 1.062 140 A CA -0.438 51.677 52.037 0.130 0.000 0.682 140 A CB 1.685 20.771 19.000 0.143 0.000 1.278 140 A HN 0.552 nan 8.150 nan 0.000 0.410 141 K N 0.324 120.778 120.400 0.091 0.000 2.147 141 K HA 0.050 4.370 4.320 -0.001 0.000 0.205 141 K C 0.124 176.779 176.600 0.091 0.000 1.049 141 K CA 1.550 57.883 56.287 0.077 0.000 0.936 141 K CB -0.055 32.488 32.500 0.072 0.000 0.722 141 K HN 0.640 nan 8.250 nan 0.000 0.446 142 S N -0.008 115.761 115.700 0.114 0.000 2.526 142 S HA 0.568 5.038 4.470 -0.001 0.000 0.293 142 S C -0.758 173.923 174.600 0.136 0.000 1.092 142 S CA -0.791 57.504 58.200 0.159 0.000 0.980 142 S CB 2.054 65.378 63.200 0.208 0.000 1.048 142 S HN 0.099 nan 8.310 nan 0.000 0.483 143 L N 3.098 124.413 121.223 0.154 0.000 2.410 143 L HA 0.630 4.969 4.340 -0.001 0.000 0.270 143 L C -1.177 175.790 176.870 0.163 0.000 0.983 143 L CA -0.582 54.322 54.840 0.106 0.000 0.822 143 L CB 1.674 43.768 42.059 0.058 0.000 1.285 143 L HN 0.524 nan 8.230 nan 0.000 0.409 144 I N 4.276 124.907 120.570 0.102 0.000 2.410 144 I HA 0.342 4.511 4.170 -0.001 0.000 0.286 144 I C -0.569 175.573 176.117 0.041 0.000 1.009 144 I CA -0.475 60.888 61.300 0.105 0.000 1.111 144 I CB 1.869 39.897 38.000 0.046 0.000 1.262 144 I HN 0.374 nan 8.210 nan 0.000 0.443 145 L N 6.637 127.888 121.223 0.046 0.000 2.261 145 L HA 0.573 4.912 4.340 -0.001 0.000 0.289 145 L C 0.508 177.379 176.870 0.000 0.000 1.059 145 L CA -0.217 54.626 54.840 0.006 0.000 0.816 145 L CB 1.040 43.104 42.059 0.008 0.000 1.191 145 L HN 0.709 nan 8.230 nan 0.000 0.431 146 A N 1.222 124.027 122.820 -0.024 0.000 3.253 146 A HA 0.291 4.610 4.320 -0.001 0.000 0.290 146 A C 0.952 178.514 177.584 -0.037 0.000 0.950 146 A CA -0.278 51.745 52.037 -0.025 0.000 0.986 146 A CB -0.086 18.897 19.000 -0.027 0.000 1.104 146 A HN 0.733 nan 8.150 nan 0.000 0.481 147 T N -2.730 111.799 114.554 -0.041 0.000 3.148 147 T HA 0.416 4.765 4.350 -0.001 0.000 0.253 147 T C 1.358 176.043 174.700 -0.024 0.000 1.134 147 T CA 1.021 63.089 62.100 -0.052 0.000 1.051 147 T CB -0.358 68.467 68.868 -0.071 0.000 0.959 147 T HN 2.029 nan 8.240 nan 0.000 0.525 148 G N 1.615 110.408 108.800 -0.011 0.000 2.569 148 G HA2 -0.081 3.878 3.960 -0.001 0.000 0.259 148 G HA3 -0.081 3.878 3.960 -0.001 0.000 0.259 148 G C -0.026 174.878 174.900 0.006 0.000 1.263 148 G CA 0.270 45.371 45.100 0.001 0.000 0.928 148 G HN 1.632 nan 8.290 nan 0.000 0.572 149 S N -0.967 114.738 115.700 0.009 0.000 2.776 149 S HA 0.825 5.295 4.470 -0.001 0.000 0.292 149 S C -0.728 173.875 174.600 0.005 0.000 1.187 149 S CA 0.334 58.536 58.200 0.003 0.000 0.834 149 S CB 2.359 65.573 63.200 0.023 0.000 1.199 149 S HN 1.770 nan 8.310 nan 0.000 0.514 150 E N -0.850 119.352 120.200 0.005 0.000 2.429 150 E HA 0.621 4.971 4.350 -0.001 0.000 0.276 150 E C -3.371 173.239 176.600 0.017 0.000 0.953 150 E CA -2.652 53.749 56.400 0.002 0.000 0.787 150 E CB 1.052 30.755 29.700 0.005 0.000 1.307 150 E HN 0.276 nan 8.360 nan 0.000 0.458 151 P HA -0.012 nan 4.420 nan 0.000 0.264 151 P C -0.780 176.625 177.300 0.175 0.000 1.193 151 P CA -0.256 62.870 63.100 0.044 0.000 0.763 151 P CB 0.256 31.878 31.700 -0.130 0.000 0.810 152 L N 3.441 124.778 121.223 0.190 0.000 2.319 152 L HA 0.203 4.542 4.340 -0.001 0.000 0.280 152 L C 0.474 177.488 176.870 0.241 0.000 1.099 152 L CA -0.141 54.803 54.840 0.173 0.000 0.828 152 L CB -0.061 42.056 42.059 0.097 0.000 1.150 152 L HN 0.341 nan 8.230 nan 0.000 0.442 153 E N 3.917 124.223 120.200 0.178 0.000 2.354 153 E HA 0.280 4.629 4.350 -0.001 0.000 0.269 153 E C -1.337 175.221 176.600 -0.069 0.000 1.036 153 E CA -0.671 55.708 56.400 -0.034 0.000 0.876 153 E CB 1.062 30.754 29.700 -0.014 0.000 1.009 153 E HN 0.618 nan 8.360 nan 0.000 0.416 154 L N 4.230 125.364 121.223 -0.148 0.000 2.307 154 L HA 0.315 4.655 4.340 -0.001 0.000 0.284 154 L C -0.434 176.463 176.870 0.045 0.000 1.023 154 L CA -0.415 54.412 54.840 -0.022 0.000 0.810 154 L CB 1.345 43.395 42.059 -0.014 0.000 1.231 154 L HN 0.522 nan 8.230 nan 0.000 0.423 155 K N 4.154 124.590 120.400 0.061 0.000 2.453 155 K HA 0.321 4.641 4.320 -0.001 0.000 0.280 155 K C 0.902 177.556 176.600 0.090 0.000 1.045 155 K CA 1.177 57.496 56.287 0.053 0.000 1.059 155 K CB -0.138 32.386 32.500 0.041 0.000 0.901 155 K HN 0.996 nan 8.250 nan 0.000 0.475 156 G N 3.809 112.602 108.800 -0.011 0.000 2.175 156 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.244 156 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.244 156 G C -0.083 174.571 174.900 -0.410 0.000 0.982 156 G CA 0.011 45.001 45.100 -0.183 0.000 0.641 156 G HN 0.596 nan 8.290 nan 0.000 0.527 157 F N 1.894 121.844 119.950 0.001 0.000 2.566 157 F HA 0.339 4.866 4.527 -0.001 0.000 0.352 157 F C -1.969 173.712 175.800 -0.198 0.000 1.534 157 F CA -1.639 56.337 58.000 -0.040 0.000 1.097 157 F CB 1.599 40.517 39.000 -0.137 0.000 1.488 157 F HN -0.059 nan 8.300 nan 0.000 0.562 158 P HA -0.022 nan 4.420 nan 0.000 0.268 158 P C -0.211 177.066 177.300 -0.038 0.000 1.204 158 P CA 0.090 63.138 63.100 -0.088 0.000 0.768 158 P CB 0.641 32.345 31.700 0.006 0.000 0.842 159 F N 2.135 122.158 119.950 0.120 0.000 2.608 159 F HA 0.399 4.926 4.527 -0.001 0.000 0.380 159 F C 1.684 177.556 175.800 0.121 0.000 1.083 159 F CA 1.516 59.588 58.000 0.120 0.000 1.266 159 F CB -0.209 38.850 39.000 0.099 0.000 1.076 159 F HN 0.522 nan 8.300 nan 0.000 0.574 160 G N 2.182 111.189 108.800 0.346 0.000 2.650 160 G HA2 0.198 4.158 3.960 -0.001 0.000 0.310 160 G HA3 0.198 4.158 3.960 -0.001 0.000 0.310 160 G C 0.135 175.200 174.900 0.274 0.000 1.270 160 G CA -0.548 44.702 45.100 0.250 0.000 0.810 160 G HN 0.280 nan 8.290 nan 0.000 0.493 161 E N 0.130 120.462 120.200 0.221 0.000 2.160 161 E HA -0.088 4.262 4.350 -0.001 0.000 0.195 161 E C 1.086 177.870 176.600 0.307 0.000 0.991 161 E CA 1.322 57.871 56.400 0.247 0.000 0.810 161 E CB 0.146 29.949 29.700 0.172 0.000 0.742 161 E HN 0.453 nan 8.360 nan 0.000 0.466 162 D N -0.468 120.041 120.400 0.182 0.000 2.417 162 D HA 0.043 4.683 4.640 -0.001 0.000 0.207 162 D C -0.012 176.194 176.300 -0.157 0.000 1.075 162 D CA 0.148 54.151 54.000 0.004 0.000 0.851 162 D CB 1.265 42.071 40.800 0.009 0.000 0.976 162 D HN -0.089 nan 8.370 nan 0.000 0.505 163 V N 2.551 122.498 119.914 0.055 0.000 2.304 163 V HA 0.214 4.334 4.120 -0.001 0.000 0.278 163 V C -0.497 175.844 176.094 0.411 0.000 1.018 163 V CA -0.937 61.407 62.300 0.074 0.000 0.814 163 V CB 1.011 32.892 31.823 0.097 0.000 1.021 163 V HN -0.009 nan 8.190 nan 0.000 0.440 164 W N 2.776 124.160 121.300 0.139 0.000 2.359 164 W HA 0.591 5.250 4.660 -0.001 0.000 0.344 164 W C 0.261 176.875 176.519 0.158 0.000 1.170 164 W CA -1.172 56.242 57.345 0.116 0.000 1.296 164 W CB 0.827 30.289 29.460 0.003 0.000 1.197 164 W HN 0.680 nan 8.180 nan 0.000 0.618 165 D N -1.410 119.061 120.400 0.118 0.000 2.569 165 D HA 0.229 4.869 4.640 -0.001 0.000 0.266 165 D C 1.099 177.395 176.300 -0.006 0.000 1.164 165 D CA -0.487 53.428 54.000 -0.141 0.000 1.071 165 D CB 0.078 40.396 40.800 -0.804 0.000 1.183 165 D HN 0.183 nan 8.370 nan 0.000 0.613 166 S N -1.007 114.680 115.700 -0.021 0.000 2.399 166 S HA -0.195 4.275 4.470 -0.001 0.000 0.231 166 S C 1.745 176.330 174.600 -0.026 0.000 1.022 166 S CA 1.585 59.795 58.200 0.016 0.000 0.983 166 S CB -1.171 62.038 63.200 0.016 0.000 0.803 166 S HN 0.588 nan 8.310 nan 0.000 0.480 167 T N 2.191 116.692 114.554 -0.088 0.000 2.708 167 T HA -0.076 4.274 4.350 -0.001 0.000 0.266 167 T C 1.949 176.563 174.700 -0.143 0.000 1.037 167 T CA 1.773 63.810 62.100 -0.106 0.000 1.146 167 T CB -0.351 68.442 68.868 -0.125 0.000 0.865 167 T HN 0.439 nan 8.240 nan 0.000 0.435 168 R N 1.874 122.254 120.500 -0.199 0.000 2.092 168 R HA 0.141 4.480 4.340 -0.001 0.000 0.231 168 R C 2.315 178.335 176.300 -0.466 0.000 1.119 168 R CA 1.667 57.540 56.100 -0.378 0.000 0.970 168 R CB -1.031 28.965 30.300 -0.507 0.000 0.864 168 R HN 0.326 nan 8.270 nan 0.000 0.440 169 A N 0.554 123.257 122.820 -0.196 0.000 2.019 169 A HA -0.074 4.246 4.320 -0.001 0.000 0.219 169 A C 2.164 179.826 177.584 0.130 0.000 1.164 169 A CA 1.339 53.407 52.037 0.050 0.000 0.644 169 A CB -0.587 18.579 19.000 0.277 0.000 0.805 169 A HN 0.382 nan 8.150 nan 0.000 0.449 170 L N -1.176 120.051 121.223 0.007 0.000 2.131 170 L HA -0.095 4.245 4.340 -0.001 0.000 0.210 170 L C 0.582 177.430 176.870 -0.036 0.000 1.092 170 L CA 0.831 55.672 54.840 0.001 0.000 0.759 170 L CB -0.328 41.709 42.059 -0.037 0.000 0.903 170 L HN 0.110 nan 8.230 nan 0.000 0.435 171 K N 0.712 121.053 120.400 -0.099 0.000 2.449 171 K HA 0.019 4.339 4.320 -0.001 0.000 0.237 171 K C 1.183 177.744 176.600 -0.066 0.000 1.265 171 K CA -0.011 56.215 56.287 -0.102 0.000 1.193 171 K CB -0.179 32.226 32.500 -0.157 0.000 1.515 171 K HN 0.071 nan 8.250 nan 0.000 0.259 172 V N -1.052 118.842 119.914 -0.034 0.000 2.720 172 V HA -0.126 3.994 4.120 -0.001 0.000 0.256 172 V C 0.982 177.075 176.094 -0.001 0.000 1.082 172 V CA 0.954 63.232 62.300 -0.036 0.000 1.101 172 V CB -0.620 31.103 31.823 -0.167 0.000 0.693 172 V HN 0.566 nan 8.190 nan 0.000 0.479 173 E N 2.670 122.865 120.200 -0.008 0.000 2.222 173 E HA 0.224 4.574 4.350 -0.001 0.000 0.312 173 E C 0.481 177.089 176.600 0.015 0.000 1.263 173 E CA 0.296 56.700 56.400 0.007 0.000 1.356 173 E CB -0.121 29.582 29.700 0.005 0.000 1.180 173 E HN 0.527 nan 8.360 nan 0.000 0.494 174 G N 3.370 112.229 108.800 0.098 0.000 2.391 174 G HA2 0.351 4.311 3.960 -0.001 0.000 0.305 174 G HA3 0.351 4.311 3.960 -0.001 0.000 0.305 174 G C -0.004 175.040 174.900 0.239 0.000 1.072 174 G CA -0.650 44.537 45.100 0.144 0.000 1.016 174 G HN 0.448 nan 8.290 nan 0.000 0.418 175 L N 4.925 126.279 121.223 0.219 0.000 2.360 175 L HA 0.266 4.606 4.340 -0.001 0.000 0.276 175 L C -1.307 175.715 176.870 0.254 0.000 1.121 175 L CA -1.513 53.515 54.840 0.313 0.000 0.845 175 L CB 1.208 43.395 42.059 0.213 0.000 1.143 175 L HN 0.404 nan 8.230 nan 0.000 0.452 176 P HA 0.149 nan 4.420 nan 0.000 0.275 176 P C -0.213 177.134 177.300 0.078 0.000 1.227 176 P CA -0.517 62.645 63.100 0.103 0.000 0.781 176 P CB 1.399 33.067 31.700 -0.054 0.000 0.906 177 K N 1.572 121.997 120.400 0.042 0.000 2.057 177 K HA -0.072 4.248 4.320 -0.001 0.000 0.207 177 K C 0.664 177.270 176.600 0.011 0.000 1.049 177 K CA 1.255 57.562 56.287 0.033 0.000 0.931 177 K CB 0.002 32.513 32.500 0.019 0.000 0.714 177 K HN 0.469 nan 8.250 nan 0.000 0.440 178 R N 0.616 121.099 120.500 -0.028 0.000 2.513 178 R HA 0.364 4.704 4.340 -0.001 0.000 0.301 178 R C -1.441 174.787 176.300 -0.120 0.000 0.968 178 R CA -0.660 55.405 56.100 -0.058 0.000 0.872 178 R CB 1.726 31.989 30.300 -0.063 0.000 1.177 178 R HN -0.078 nan 8.270 nan 0.000 0.444 179 L N 3.662 124.809 121.223 -0.128 0.000 2.365 179 L HA 0.547 4.886 4.340 -0.001 0.000 0.273 179 L C -1.721 175.039 176.870 -0.182 0.000 1.000 179 L CA -0.961 53.748 54.840 -0.219 0.000 0.819 179 L CB 1.868 43.773 42.059 -0.257 0.000 1.284 179 L HN 0.582 nan 8.230 nan 0.000 0.418 180 L N 6.061 127.149 121.223 -0.225 0.000 2.305 180 L HA 0.696 5.035 4.340 -0.001 0.000 0.284 180 L C -1.294 175.451 176.870 -0.208 0.000 1.013 180 L CA -0.243 54.484 54.840 -0.188 0.000 0.819 180 L CB 1.685 43.631 42.059 -0.189 0.000 1.227 180 L HN 0.414 nan 8.230 nan 0.000 0.417 181 V N 6.806 126.628 119.914 -0.153 0.000 2.398 181 V HA 0.446 4.566 4.120 -0.001 0.000 0.286 181 V C 0.176 176.190 176.094 -0.133 0.000 1.026 181 V CA -0.392 61.829 62.300 -0.131 0.000 0.868 181 V CB 1.460 33.240 31.823 -0.072 0.000 0.982 181 V HN 0.612 nan 8.190 nan 0.000 0.443 182 I N 4.500 124.975 120.570 -0.159 0.000 2.312 182 I HA 0.740 4.910 4.170 -0.001 0.000 0.290 182 I C 0.618 176.683 176.117 -0.087 0.000 1.008 182 I CA -0.111 61.092 61.300 -0.162 0.000 1.226 182 I CB 1.364 39.191 38.000 -0.288 0.000 1.371 182 I HN 0.859 nan 8.210 nan 0.000 0.468 183 G N 3.523 112.292 108.800 -0.052 0.000 3.313 183 G HA2 0.048 4.008 3.960 -0.001 0.000 0.659 183 G HA3 0.048 4.008 3.960 -0.001 0.000 0.659 183 G C -0.063 174.825 174.900 -0.020 0.000 1.286 183 G CA -0.538 44.548 45.100 -0.023 0.000 1.077 183 G HN 0.941 nan 8.290 nan 0.000 0.551 184 G N 0.591 109.379 108.800 -0.020 0.000 3.814 184 G HA2 0.644 4.604 3.960 -0.001 0.000 0.293 184 G HA3 0.644 4.604 3.960 -0.001 0.000 0.293 184 G C 0.869 175.740 174.900 -0.049 0.000 1.243 184 G CA 0.904 45.984 45.100 -0.034 0.000 1.053 184 G HN 1.208 nan 8.290 nan 0.000 0.562 185 G N -0.899 107.883 108.800 -0.029 0.000 2.532 185 G HA2 0.476 4.435 3.960 -0.001 0.000 0.291 185 G HA3 0.476 4.435 3.960 -0.001 0.000 0.291 185 G C 1.320 176.213 174.900 -0.012 0.000 1.349 185 G CA 0.248 45.329 45.100 -0.031 0.000 1.038 185 G HN 0.318 nan 8.290 nan 0.000 0.518 186 A N -1.301 121.527 122.820 0.013 0.000 1.908 186 A HA -0.020 4.299 4.320 -0.001 0.000 0.218 186 A C 2.528 180.160 177.584 0.079 0.000 1.181 186 A CA 2.133 54.208 52.037 0.063 0.000 0.627 186 A CB -0.734 18.336 19.000 0.116 0.000 0.818 186 A HN 0.498 nan 8.150 nan 0.000 0.445 187 V N -0.168 119.786 119.914 0.067 0.000 2.261 187 V HA -0.186 3.933 4.120 -0.001 0.000 0.246 187 V C 2.845 178.980 176.094 0.067 0.000 1.047 187 V CA 2.087 64.428 62.300 0.069 0.000 1.015 187 V CB -1.528 30.331 31.823 0.060 0.000 0.642 187 V HN 0.604 nan 8.190 nan 0.000 0.446 188 G N -0.339 108.489 108.800 0.046 0.000 2.418 188 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.217 188 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.217 188 G C 1.596 176.521 174.900 0.043 0.000 1.158 188 G CA 0.961 46.083 45.100 0.036 0.000 0.771 188 G HN 0.455 nan 8.290 nan 0.000 0.545 189 L N 0.003 121.249 121.223 0.037 0.000 2.017 189 L HA -0.050 4.290 4.340 -0.001 0.000 0.208 189 L C 2.909 179.822 176.870 0.073 0.000 1.073 189 L CA 1.369 56.233 54.840 0.041 0.000 0.745 189 L CB -0.482 41.591 42.059 0.024 0.000 0.894 189 L HN 0.269 nan 8.230 nan 0.000 0.432 190 E N 0.236 120.493 120.200 0.095 0.000 2.031 190 E HA -0.208 4.142 4.350 -0.001 0.000 0.193 190 E C 2.349 179.024 176.600 0.125 0.000 0.994 190 E CA 1.139 57.609 56.400 0.117 0.000 0.800 190 E CB -0.173 29.608 29.700 0.134 0.000 0.752 190 E HN 0.417 nan 8.360 nan 0.000 0.447 191 L N 0.397 121.703 121.223 0.139 0.000 2.141 191 L HA -0.089 4.251 4.340 -0.001 0.000 0.209 191 L C 2.522 179.548 176.870 0.260 0.000 1.094 191 L CA 0.954 55.921 54.840 0.212 0.000 0.763 191 L CB -0.569 41.617 42.059 0.211 0.000 0.908 191 L HN 0.248 nan 8.230 nan 0.000 0.437 192 G N -0.771 108.123 108.800 0.157 0.000 2.421 192 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.216 192 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.216 192 G C 1.501 176.484 174.900 0.138 0.000 1.171 192 G CA 0.644 45.822 45.100 0.130 0.000 0.775 192 G HN 0.370 nan 8.290 nan 0.000 0.543 193 Q N -0.182 119.679 119.800 0.102 0.000 2.119 193 Q HA -0.044 4.295 4.340 -0.001 0.000 0.201 193 Q C 2.665 178.706 176.000 0.069 0.000 0.972 193 Q CA 1.171 57.014 55.803 0.066 0.000 0.847 193 Q CB -0.107 28.655 28.738 0.040 0.000 0.903 193 Q HN 0.304 nan 8.270 nan 0.000 0.433 194 V N 0.219 120.188 119.914 0.091 0.000 2.255 194 V HA -0.292 3.828 4.120 -0.001 0.000 0.247 194 V C 1.825 177.906 176.094 -0.023 0.000 1.051 194 V CA 2.027 64.344 62.300 0.028 0.000 1.018 194 V CB -0.761 31.072 31.823 0.017 0.000 0.641 194 V HN 0.453 nan 8.190 nan 0.000 0.445 195 Y N 0.143 120.482 120.300 0.064 0.000 2.224 195 Y HA -0.244 4.306 4.550 -0.001 0.000 0.289 195 Y C 2.715 178.644 175.900 0.049 0.000 1.146 195 Y CA 2.157 60.299 58.100 0.069 0.000 1.182 195 Y CB -0.307 38.202 38.460 0.082 0.000 0.983 195 Y HN 0.129 nan 8.280 nan 0.000 0.524 196 R N 1.068 121.665 120.500 0.163 0.000 2.073 196 R HA -0.105 4.235 4.340 -0.001 0.000 0.234 196 R C 1.946 178.285 176.300 0.065 0.000 1.134 196 R CA 1.644 57.803 56.100 0.098 0.000 0.952 196 R CB -0.413 29.928 30.300 0.068 0.000 0.850 196 R HN 0.208 nan 8.270 nan 0.000 0.433 197 R N -0.410 120.116 120.500 0.044 0.000 2.237 197 R HA -0.011 4.329 4.340 -0.001 0.000 0.219 197 R C 0.977 177.295 176.300 0.030 0.000 1.080 197 R CA 0.642 56.767 56.100 0.042 0.000 0.995 197 R CB -0.090 30.223 30.300 0.022 0.000 0.875 197 R HN 0.140 nan 8.270 nan 0.000 0.462 198 L N -0.984 120.243 121.223 0.007 0.000 2.592 198 L HA 0.240 4.579 4.340 -0.001 0.000 0.227 198 L C 1.298 178.182 176.870 0.024 0.000 1.127 198 L CA 0.927 55.759 54.840 -0.012 0.000 0.884 198 L CB 0.576 42.578 42.059 -0.094 0.000 1.065 198 L HN 0.396 nan 8.230 nan 0.000 0.457 199 G N -1.609 107.219 108.800 0.047 0.000 2.201 199 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.212 199 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.212 199 G C 0.511 175.454 174.900 0.072 0.000 0.994 199 G CA -0.097 45.035 45.100 0.054 0.000 0.644 199 G HN 0.574 nan 8.290 nan 0.000 0.508 200 A N 0.332 123.217 122.820 0.108 0.000 2.340 200 A HA 0.648 4.967 4.320 -0.001 0.000 0.268 200 A C 0.352 177.982 177.584 0.078 0.000 1.100 200 A CA -0.123 51.984 52.037 0.117 0.000 0.803 200 A CB 0.472 19.599 19.000 0.211 0.000 1.043 200 A HN 0.201 nan 8.150 nan 0.000 0.488 201 E N 0.598 120.824 120.200 0.044 0.000 2.289 201 E HA 0.428 4.778 4.350 -0.001 0.000 0.278 201 E C -0.915 175.691 176.600 0.010 0.000 1.032 201 E CA -0.049 56.363 56.400 0.021 0.000 0.854 201 E CB 1.433 31.134 29.700 0.003 0.000 1.046 201 E HN 0.296 nan 8.360 nan 0.000 0.409 202 V N 2.889 122.809 119.914 0.010 0.000 2.577 202 V HA 0.341 4.460 4.120 -0.001 0.000 0.303 202 V C -0.086 175.996 176.094 -0.020 0.000 1.042 202 V CA -0.716 61.581 62.300 -0.006 0.000 0.872 202 V CB 2.242 34.081 31.823 0.027 0.000 0.998 202 V HN 0.569 nan 8.190 nan 0.000 0.423 203 T N 6.010 120.537 114.554 -0.045 0.000 2.792 203 T HA 0.642 4.992 4.350 -0.001 0.000 0.280 203 T C -0.736 173.929 174.700 -0.058 0.000 0.990 203 T CA -0.234 61.838 62.100 -0.047 0.000 0.960 203 T CB 1.298 70.132 68.868 -0.055 0.000 0.939 203 T HN 0.533 nan 8.240 nan 0.000 0.439 204 L N 5.883 127.079 121.223 -0.046 0.000 2.356 204 L HA 0.745 5.085 4.340 -0.001 0.000 0.277 204 L C -0.806 176.035 176.870 -0.049 0.000 0.996 204 L CA -1.033 53.778 54.840 -0.050 0.000 0.822 204 L CB 0.846 42.887 42.059 -0.031 0.000 1.256 204 L HN 0.710 nan 8.230 nan 0.000 0.413 205 I N 1.130 121.664 120.570 -0.060 0.000 2.493 205 I HA 0.744 4.914 4.170 -0.001 0.000 0.298 205 I C -1.030 175.068 176.117 -0.033 0.000 0.998 205 I CA -0.474 60.796 61.300 -0.050 0.000 1.137 205 I CB 1.963 39.927 38.000 -0.060 0.000 1.310 205 I HN 0.587 nan 8.210 nan 0.000 0.445 206 E N 3.922 124.112 120.200 -0.016 0.000 2.246 206 E HA 0.220 4.570 4.350 -0.001 0.000 0.266 206 E C -0.648 175.982 176.600 0.050 0.000 0.880 206 E CA -0.702 55.708 56.400 0.015 0.000 0.762 206 E CB 1.316 31.014 29.700 -0.003 0.000 1.180 206 E HN 0.620 nan 8.360 nan 0.000 0.416 207 Y N 4.847 125.125 120.300 -0.036 0.000 2.181 207 Y HA 0.013 4.563 4.550 -0.001 0.000 0.288 207 Y C 0.611 176.497 175.900 -0.023 0.000 1.146 207 Y CA 1.330 59.415 58.100 -0.025 0.000 1.164 207 Y CB 0.260 38.709 38.460 -0.018 0.000 0.982 207 Y HN 0.470 nan 8.280 nan 0.000 0.515 208 M N 0.521 120.269 119.600 0.248 0.000 2.157 208 M HA 0.087 4.567 4.480 -0.001 0.000 0.304 208 M C -1.261 175.060 176.300 0.035 0.000 1.171 208 M CA -2.238 53.152 55.300 0.150 0.000 1.157 208 M CB -0.617 32.040 32.600 0.095 0.000 1.403 208 M HN -0.092 nan 8.290 nan 0.000 0.473 209 P HA -0.067 nan 4.420 nan 0.000 0.220 209 P C -0.229 177.058 177.300 -0.021 0.000 1.148 209 P CA 1.315 64.407 63.100 -0.012 0.000 0.803 209 P CB 0.357 32.053 31.700 -0.007 0.000 0.782 210 E N -1.113 119.074 120.200 -0.023 0.000 2.408 210 E HA 0.352 4.701 4.350 -0.001 0.000 0.275 210 E C -0.510 176.054 176.600 -0.059 0.000 0.935 210 E CA -1.120 55.255 56.400 -0.042 0.000 0.775 210 E CB 0.936 30.607 29.700 -0.049 0.000 1.277 210 E HN -0.101 nan 8.360 nan 0.000 0.455 211 I N 0.185 120.707 120.570 -0.079 0.000 3.004 211 I HA 0.270 4.440 4.170 -0.001 0.000 0.287 211 I C 0.312 176.322 176.117 -0.178 0.000 1.144 211 I CA -0.720 60.516 61.300 -0.107 0.000 1.353 211 I CB 0.201 38.136 38.000 -0.108 0.000 1.417 211 I HN 0.674 nan 8.210 nan 0.000 0.602 212 L N 1.646 122.744 121.223 -0.208 0.000 3.795 212 L HA -0.153 4.186 4.340 -0.001 0.000 0.489 212 L C -1.356 175.378 176.870 -0.225 0.000 1.259 212 L CA -0.361 54.295 54.840 -0.305 0.000 0.765 212 L CB -1.548 40.130 42.059 -0.635 0.000 1.519 212 L HN 0.702 nan 8.230 nan 0.000 0.842 213 P HA -0.202 nan 4.420 nan 0.000 0.222 213 P C 1.180 178.444 177.300 -0.059 0.000 1.142 213 P CA 1.252 64.307 63.100 -0.075 0.000 0.788 213 P CB 0.314 31.994 31.700 -0.034 0.000 0.767 214 Q N -0.204 119.558 119.800 -0.063 0.000 2.360 214 Q HA 0.250 4.590 4.340 -0.001 0.000 0.202 214 Q C 1.051 177.067 176.000 0.027 0.000 0.915 214 Q CA 0.157 55.956 55.803 -0.008 0.000 0.943 214 Q CB -0.120 28.627 28.738 0.014 0.000 1.064 214 Q HN 0.214 nan 8.270 nan 0.000 0.511 215 G N -0.883 107.885 108.800 -0.053 0.000 2.667 215 G HA2 0.291 4.251 3.960 -0.001 0.000 0.310 215 G HA3 0.291 4.251 3.960 -0.001 0.000 0.310 215 G C -1.294 173.552 174.900 -0.091 0.000 1.259 215 G CA -0.747 44.383 45.100 0.049 0.000 1.019 215 G HN 0.131 nan 8.290 nan 0.000 0.496 216 D N 0.304 120.563 120.400 -0.235 0.000 2.472 216 D HA 0.091 4.730 4.640 -0.001 0.000 0.248 216 D C -0.623 175.614 176.300 -0.106 0.000 1.174 216 D CA -1.052 52.695 54.000 -0.420 0.000 0.883 216 D CB 1.356 41.641 40.800 -0.857 0.000 1.149 216 D HN 0.014 nan 8.370 nan 0.000 0.488 217 P HA -0.170 nan 4.420 nan 0.000 0.218 217 P C 1.097 178.393 177.300 -0.008 0.000 1.149 217 P CA 0.971 64.039 63.100 -0.053 0.000 0.817 217 P CB 0.272 31.942 31.700 -0.050 0.000 0.785 218 E N 0.309 120.509 120.200 0.000 0.000 2.031 218 E HA -0.146 4.203 4.350 -0.001 0.000 0.193 218 E C 1.986 178.640 176.600 0.089 0.000 0.994 218 E CA 2.390 58.811 56.400 0.034 0.000 0.800 218 E CB -0.329 29.388 29.700 0.029 0.000 0.752 218 E HN 0.266 nan 8.360 nan 0.000 0.447 219 T N -1.294 113.357 114.554 0.163 0.000 2.904 219 T HA 0.051 4.401 4.350 -0.001 0.000 0.267 219 T C 1.982 176.900 174.700 0.363 0.000 1.059 219 T CA 0.906 63.174 62.100 0.280 0.000 1.137 219 T CB -0.245 68.838 68.868 0.358 0.000 0.879 219 T HN 0.219 nan 8.240 nan 0.000 0.467 220 A N 1.941 124.923 122.820 0.270 0.000 1.933 220 A HA 0.346 4.666 4.320 -0.001 0.000 0.218 220 A C 2.804 180.393 177.584 0.009 0.000 1.175 220 A CA 1.715 53.746 52.037 -0.009 0.000 0.628 220 A CB -1.354 17.523 19.000 -0.205 0.000 0.814 220 A HN 0.702 nan 8.150 nan 0.000 0.444 221 A N -0.170 122.667 122.820 0.027 0.000 1.933 221 A HA -0.044 4.276 4.320 -0.001 0.000 0.218 221 A C 2.129 179.736 177.584 0.038 0.000 1.175 221 A CA 1.452 53.499 52.037 0.017 0.000 0.628 221 A CB -0.587 18.421 19.000 0.013 0.000 0.814 221 A HN 0.479 nan 8.150 nan 0.000 0.444 222 L N -1.013 120.252 121.223 0.070 0.000 2.131 222 L HA -0.163 4.177 4.340 -0.001 0.000 0.210 222 L C 2.546 179.463 176.870 0.077 0.000 1.092 222 L CA 1.083 55.966 54.840 0.071 0.000 0.759 222 L CB -0.524 41.587 42.059 0.086 0.000 0.903 222 L HN 0.497 nan 8.230 nan 0.000 0.435 223 L N 0.259 121.543 121.223 0.103 0.000 2.056 223 L HA -0.177 4.163 4.340 -0.001 0.000 0.207 223 L C 2.713 179.609 176.870 0.044 0.000 1.078 223 L CA 1.634 56.529 54.840 0.093 0.000 0.749 223 L CB -0.641 41.488 42.059 0.117 0.000 0.901 223 L HN 0.112 nan 8.230 nan 0.000 0.433 224 R N -0.554 119.957 120.500 0.019 0.000 2.083 224 R HA -0.170 4.169 4.340 -0.001 0.000 0.237 224 R C 2.474 178.781 176.300 0.012 0.000 1.137 224 R CA 1.740 57.842 56.100 0.003 0.000 0.951 224 R CB -0.268 30.025 30.300 -0.012 0.000 0.851 224 R HN 0.337 nan 8.270 nan 0.000 0.434 225 R N -0.212 120.299 120.500 0.018 0.000 2.105 225 R HA -0.114 4.226 4.340 -0.001 0.000 0.239 225 R C 2.301 178.616 176.300 0.025 0.000 1.135 225 R CA 1.370 57.481 56.100 0.019 0.000 0.967 225 R CB -0.307 30.006 30.300 0.021 0.000 0.861 225 R HN 0.337 nan 8.270 nan 0.000 0.442 226 A N 1.037 123.876 122.820 0.033 0.000 1.898 226 A HA -0.106 4.214 4.320 -0.001 0.000 0.216 226 A C 2.147 179.747 177.584 0.026 0.000 1.181 226 A CA 1.033 53.091 52.037 0.036 0.000 0.620 226 A CB -0.413 18.614 19.000 0.046 0.000 0.819 226 A HN 0.173 nan 8.150 nan 0.000 0.442 227 L N -0.667 120.568 121.223 0.021 0.000 2.093 227 L HA -0.174 4.166 4.340 -0.001 0.000 0.208 227 L C 2.508 179.386 176.870 0.013 0.000 1.085 227 L CA 1.437 56.284 54.840 0.012 0.000 0.755 227 L CB -0.627 41.438 42.059 0.012 0.000 0.904 227 L HN 0.466 nan 8.230 nan 0.000 0.435 228 E N 0.278 120.486 120.200 0.013 0.000 2.153 228 E HA -0.259 4.091 4.350 -0.001 0.000 0.194 228 E C 2.076 178.686 176.600 0.017 0.000 0.988 228 E CA 0.918 57.325 56.400 0.011 0.000 0.811 228 E CB -0.041 29.664 29.700 0.007 0.000 0.746 228 E HN 0.349 nan 8.360 nan 0.000 0.466 229 K N 1.312 121.726 120.400 0.023 0.000 2.147 229 K HA -0.159 4.160 4.320 -0.001 0.000 0.205 229 K C 1.520 178.144 176.600 0.039 0.000 1.049 229 K CA 1.081 57.386 56.287 0.030 0.000 0.936 229 K CB 0.154 32.676 32.500 0.037 0.000 0.722 229 K HN 0.073 nan 8.250 nan 0.000 0.446 230 E N -1.049 119.174 120.200 0.038 0.000 2.502 230 E HA -0.004 4.346 4.350 -0.001 0.000 0.194 230 E C 0.670 177.294 176.600 0.039 0.000 1.062 230 E CA 0.501 56.930 56.400 0.049 0.000 0.867 230 E CB 0.389 30.102 29.700 0.023 0.000 0.888 230 E HN 0.612 nan 8.360 nan 0.000 0.510 231 G N 1.554 110.371 108.800 0.028 0.000 2.179 231 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.220 231 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.220 231 G C 0.238 175.148 174.900 0.016 0.000 0.990 231 G CA -0.377 44.736 45.100 0.022 0.000 0.646 231 G HN 0.194 nan 8.290 nan 0.000 0.517 232 I N 2.344 122.923 120.570 0.015 0.000 2.379 232 I HA 0.273 4.442 4.170 -0.001 0.000 0.290 232 I C 0.443 176.560 176.117 0.001 0.000 1.063 232 I CA -0.715 60.591 61.300 0.010 0.000 1.351 232 I CB 0.618 38.625 38.000 0.012 0.000 1.410 232 I HN -0.069 nan 8.210 nan 0.000 0.505 233 R N 6.464 126.960 120.500 -0.006 0.000 2.248 233 R HA 0.306 4.645 4.340 -0.001 0.000 0.337 233 R C -0.741 175.548 176.300 -0.018 0.000 1.085 233 R CA -0.505 55.587 56.100 -0.012 0.000 0.934 233 R CB 0.167 30.457 30.300 -0.017 0.000 1.034 233 R HN 0.297 nan 8.270 nan 0.000 0.465 234 V N 5.224 125.128 119.914 -0.016 0.000 2.407 234 V HA 0.377 4.497 4.120 -0.001 0.000 0.278 234 V C 0.703 176.781 176.094 -0.025 0.000 1.037 234 V CA -0.647 61.640 62.300 -0.021 0.000 0.900 234 V CB 1.228 33.040 31.823 -0.018 0.000 0.983 234 V HN 0.524 nan 8.190 nan 0.000 0.459 235 R N 3.051 123.532 120.500 -0.031 0.000 2.358 235 R HA 0.420 4.759 4.340 -0.001 0.000 0.309 235 R C 0.201 176.478 176.300 -0.039 0.000 1.026 235 R CA -0.431 55.648 56.100 -0.035 0.000 0.909 235 R CB 1.519 31.796 30.300 -0.037 0.000 1.153 235 R HN 0.857 nan 8.270 nan 0.000 0.515 236 T N -0.815 113.716 114.554 -0.038 0.000 2.788 236 T HA 0.156 4.506 4.350 -0.001 0.000 0.280 236 T C 0.629 175.292 174.700 -0.062 0.000 0.984 236 T CA -0.730 61.346 62.100 -0.041 0.000 0.972 236 T CB 0.741 69.588 68.868 -0.034 0.000 1.039 236 T HN 0.484 nan 8.240 nan 0.000 0.530 237 K N 0.308 120.662 120.400 -0.078 0.000 3.035 237 K HA -0.138 4.181 4.320 -0.001 0.000 0.262 237 K C -0.442 176.051 176.600 -0.180 0.000 1.024 237 K CA 0.801 57.004 56.287 -0.140 0.000 0.748 237 K CB -2.246 30.193 32.500 -0.102 0.000 1.247 237 K HN 0.898 nan 8.250 nan 0.000 0.482 238 T N 0.640 115.098 114.554 -0.161 0.000 2.916 238 T HA 0.457 4.807 4.350 -0.001 0.000 0.298 238 T C -0.380 174.256 174.700 -0.107 0.000 1.031 238 T CA -0.980 61.039 62.100 -0.134 0.000 0.993 238 T CB 2.224 71.047 68.868 -0.074 0.000 1.045 238 T HN 0.259 nan 8.240 nan 0.000 0.454 239 K N 0.492 120.843 120.400 -0.082 0.000 2.385 239 K HA 0.889 5.208 4.320 -0.001 0.000 0.248 239 K C -1.073 175.559 176.600 0.053 0.000 0.955 239 K CA -1.190 55.116 56.287 0.032 0.000 0.816 239 K CB 2.157 34.731 32.500 0.123 0.000 1.250 239 K HN 0.559 nan 8.250 nan 0.000 0.434 240 A N 1.994 124.859 122.820 0.076 0.000 2.289 240 A HA 0.407 4.727 4.320 -0.001 0.000 0.298 240 A C 0.497 178.264 177.584 0.305 0.000 1.208 240 A CA -0.824 51.298 52.037 0.142 0.000 0.845 240 A CB 0.778 19.728 19.000 -0.083 0.000 1.125 240 A HN 0.563 nan 8.150 nan 0.000 0.517 241 V N 2.208 122.298 119.914 0.293 0.000 2.949 241 V HA 0.439 4.558 4.120 -0.001 0.000 0.245 241 V C 1.324 177.505 176.094 0.144 0.000 1.086 241 V CA 1.360 63.782 62.300 0.205 0.000 1.097 241 V CB -0.531 31.356 31.823 0.106 0.000 0.762 241 V HN 1.352 nan 8.190 nan 0.000 0.470 242 G N -0.842 108.027 108.800 0.115 0.000 2.317 242 G HA2 0.459 4.418 3.960 -0.001 0.000 0.293 242 G HA3 0.459 4.418 3.960 -0.001 0.000 0.293 242 G C -1.799 173.047 174.900 -0.091 0.000 1.287 242 G CA 0.045 44.952 45.100 -0.321 0.000 0.850 242 G HN 0.440 nan 8.290 nan 0.000 0.515 243 Y N -1.444 118.629 120.300 -0.378 0.000 2.788 243 Y HA 0.794 5.344 4.550 -0.001 0.000 0.335 243 Y C -1.432 174.396 175.900 -0.121 0.000 1.287 243 Y CA -0.922 57.092 58.100 -0.143 0.000 1.068 243 Y CB 0.953 39.384 38.460 -0.047 0.000 1.340 243 Y HN 1.014 nan 8.280 nan 0.000 0.449 244 E N 1.200 121.248 120.200 -0.254 0.000 2.291 244 E HA 0.316 4.665 4.350 -0.001 0.000 0.276 244 E C -1.796 174.775 176.600 -0.047 0.000 0.896 244 E CA -1.203 54.993 56.400 -0.340 0.000 0.774 244 E CB 2.453 32.024 29.700 -0.215 0.000 1.227 244 E HN 0.693 nan 8.360 nan 0.000 0.413 245 K N 2.967 123.340 120.400 -0.046 0.000 2.412 245 K HA 0.123 4.443 4.320 -0.001 0.000 0.281 245 K C -0.768 175.854 176.600 0.036 0.000 1.027 245 K CA 0.140 56.491 56.287 0.105 0.000 0.989 245 K CB 0.736 33.300 32.500 0.107 0.000 0.935 245 K HN 0.493 nan 8.250 nan 0.000 0.475 246 K N 2.271 122.720 120.400 0.081 0.000 2.261 246 K HA 0.178 4.498 4.320 -0.001 0.000 0.242 246 K C 0.599 177.234 176.600 0.058 0.000 1.083 246 K CA -0.722 55.577 56.287 0.020 0.000 0.880 246 K CB 1.209 33.674 32.500 -0.058 0.000 1.353 246 K HN 0.398 nan 8.250 nan 0.000 0.486 247 K N 0.443 120.866 120.400 0.039 0.000 2.057 247 K HA -0.122 4.198 4.320 -0.001 0.000 0.206 247 K C 0.596 177.235 176.600 0.066 0.000 1.050 247 K CA 2.142 58.456 56.287 0.045 0.000 0.935 247 K CB 0.035 32.552 32.500 0.028 0.000 0.715 247 K HN 0.657 nan 8.250 nan 0.000 0.439 248 D N -0.854 119.605 120.400 0.097 0.000 2.328 248 D HA 0.100 4.740 4.640 -0.001 0.000 0.221 248 D C 0.687 177.042 176.300 0.090 0.000 1.072 248 D CA 0.597 54.653 54.000 0.094 0.000 0.850 248 D CB 0.596 41.460 40.800 0.107 0.000 0.922 248 D HN 0.362 nan 8.370 nan 0.000 0.516 249 G N -0.140 108.731 108.800 0.120 0.000 2.346 249 G HA2 0.083 4.043 3.960 -0.001 0.000 0.294 249 G HA3 0.083 4.043 3.960 -0.001 0.000 0.294 249 G C -1.619 173.389 174.900 0.181 0.000 1.294 249 G CA -0.831 44.324 45.100 0.093 0.000 0.962 249 G HN 0.145 nan 8.290 nan 0.000 0.508 250 L N 1.460 122.755 121.223 0.119 0.000 2.265 250 L HA 0.394 4.734 4.340 -0.001 0.000 0.288 250 L C 0.110 177.094 176.870 0.189 0.000 1.058 250 L CA -0.661 54.307 54.840 0.213 0.000 0.809 250 L CB 0.942 43.060 42.059 0.099 0.000 1.179 250 L HN 0.497 nan 8.230 nan 0.000 0.429 251 H N 3.738 122.890 119.070 0.136 0.000 2.872 251 H HA 0.231 4.787 4.556 -0.001 0.000 0.273 251 H C -0.509 174.910 175.328 0.151 0.000 1.205 251 H CA -0.564 55.542 56.048 0.098 0.000 1.342 251 H CB 1.171 30.965 29.762 0.054 0.000 1.469 251 H HN 0.295 nan 8.280 nan 0.000 0.487 252 V N 4.524 124.559 119.914 0.201 0.000 2.465 252 V HA 0.141 4.260 4.120 -0.001 0.000 0.279 252 V C 0.709 176.908 176.094 0.174 0.000 1.045 252 V CA -0.589 61.859 62.300 0.246 0.000 0.938 252 V CB 1.643 33.590 31.823 0.205 0.000 0.986 252 V HN 0.648 nan 8.190 nan 0.000 0.467 253 R N 4.914 125.527 120.500 0.188 0.000 2.202 253 R HA 0.545 4.884 4.340 -0.001 0.000 0.334 253 R C -1.071 175.301 176.300 0.120 0.000 1.036 253 R CA -0.457 55.716 56.100 0.122 0.000 0.878 253 R CB 0.483 30.836 30.300 0.089 0.000 1.067 253 R HN 0.697 nan 8.270 nan 0.000 0.457 254 L N 3.057 124.323 121.223 0.072 0.000 2.375 254 L HA 0.546 4.886 4.340 -0.001 0.000 0.268 254 L C 0.424 177.310 176.870 0.027 0.000 1.058 254 L CA -0.366 54.502 54.840 0.046 0.000 0.803 254 L CB 1.667 43.735 42.059 0.015 0.000 1.212 254 L HN 0.806 nan 8.230 nan 0.000 0.451 255 E N -0.415 119.789 120.200 0.007 0.000 1.980 255 E HA 0.001 4.350 4.350 -0.001 0.000 0.139 255 E C -0.037 176.531 176.600 -0.053 0.000 1.408 255 E CA -0.176 56.217 56.400 -0.011 0.000 0.911 255 E CB 0.428 30.133 29.700 0.008 0.000 2.060 255 E HN 0.605 nan 8.360 nan 0.000 0.556 256 E N 0.405 120.499 120.200 -0.176 0.000 2.801 256 E HA -0.328 4.022 4.350 -0.001 0.000 0.300 256 E C 0.529 177.110 176.600 -0.033 0.000 1.355 256 E CA 2.010 58.374 56.400 -0.061 0.000 1.043 256 E CB -1.371 28.304 29.700 -0.042 0.000 0.824 256 E HN 0.887 nan 8.360 nan 0.000 0.351 257 G N -1.140 107.629 108.800 -0.052 0.000 2.612 257 G HA2 0.384 4.343 3.960 -0.001 0.000 0.686 257 G HA3 0.384 4.343 3.960 -0.001 0.000 0.686 257 G C 0.358 175.245 174.900 -0.022 0.000 1.274 257 G CA 0.753 45.840 45.100 -0.023 0.000 0.849 257 G HN 1.350 nan 8.290 nan 0.000 0.595 258 G N -0.668 108.125 108.800 -0.012 0.000 2.254 258 G HA2 0.316 4.275 3.960 -0.001 0.000 0.193 258 G HA3 0.316 4.275 3.960 -0.001 0.000 0.193 258 G C -0.193 174.701 174.900 -0.009 0.000 1.233 258 G CA 0.390 45.483 45.100 -0.011 0.000 1.290 258 G HN 1.570 nan 8.290 nan 0.000 0.517 259 E N 2.133 122.326 120.200 -0.012 0.000 2.924 259 E HA 0.303 4.653 4.350 -0.001 0.000 0.236 259 E C 0.889 177.486 176.600 -0.006 0.000 1.028 259 E CA 0.952 57.347 56.400 -0.009 0.000 0.952 259 E CB -0.077 29.617 29.700 -0.012 0.000 0.918 259 E HN 0.953 nan 8.360 nan 0.000 0.536 260 G N 3.124 111.924 108.800 0.001 0.000 2.415 260 G HA2 0.269 4.229 3.960 -0.001 0.000 0.269 260 G HA3 0.269 4.229 3.960 -0.001 0.000 0.269 260 G C -0.225 174.681 174.900 0.010 0.000 1.209 260 G CA -0.343 44.761 45.100 0.008 0.000 0.835 260 G HN 0.452 nan 8.290 nan 0.000 0.534 261 E N 0.486 120.695 120.200 0.015 0.000 2.367 261 E HA 0.428 4.778 4.350 -0.001 0.000 0.273 261 E C -0.861 175.756 176.600 0.028 0.000 0.903 261 E CA -0.771 55.638 56.400 0.015 0.000 0.764 261 E CB 1.922 31.625 29.700 0.004 0.000 1.252 261 E HN 0.650 nan 8.360 nan 0.000 0.446 262 E N 1.924 122.141 120.200 0.029 0.000 2.238 262 E HA 0.576 4.925 4.350 -0.001 0.000 0.267 262 E C -1.595 175.007 176.600 0.003 0.000 0.887 262 E CA -0.979 55.445 56.400 0.039 0.000 0.769 262 E CB 2.348 32.092 29.700 0.074 0.000 1.187 262 E HN 0.196 nan 8.360 nan 0.000 0.416 263 V N 3.344 123.251 119.914 -0.011 0.000 2.735 263 V HA 0.481 4.601 4.120 -0.001 0.000 0.310 263 V C -1.240 174.789 176.094 -0.108 0.000 1.061 263 V CA -0.682 61.586 62.300 -0.053 0.000 0.913 263 V CB 2.002 33.801 31.823 -0.041 0.000 1.005 263 V HN 0.699 nan 8.190 nan 0.000 0.428 264 V N 7.231 127.044 119.914 -0.169 0.000 2.370 264 V HA 0.698 4.818 4.120 -0.001 0.000 0.283 264 V C -0.048 175.957 176.094 -0.149 0.000 1.023 264 V CA -0.074 62.075 62.300 -0.251 0.000 0.857 264 V CB 1.293 32.892 31.823 -0.372 0.000 0.985 264 V HN 0.937 nan 8.190 nan 0.000 0.443 265 V N 1.003 120.843 119.914 -0.124 0.000 3.160 265 V HA 0.663 4.783 4.120 -0.001 0.000 0.310 265 V C 0.067 176.097 176.094 -0.107 0.000 1.181 265 V CA -0.642 61.589 62.300 -0.115 0.000 1.047 265 V CB 2.456 34.195 31.823 -0.139 0.000 1.068 265 V HN 0.549 nan 8.190 nan 0.000 0.441 266 D N -0.051 120.273 120.400 -0.125 0.000 2.277 266 D HA 0.188 4.828 4.640 -0.001 0.000 0.209 266 D C 0.175 176.348 176.300 -0.213 0.000 0.970 266 D CA 0.929 54.859 54.000 -0.117 0.000 0.874 266 D CB 0.441 41.192 40.800 -0.081 0.000 0.982 266 D HN 0.461 nan 8.370 nan 0.000 0.504 267 K N 0.478 120.666 120.400 -0.353 0.000 2.508 267 K HA 0.509 4.829 4.320 -0.001 0.000 0.260 267 K C -0.960 175.298 176.600 -0.571 0.000 0.949 267 K CA -0.779 55.143 56.287 -0.608 0.000 0.834 267 K CB 3.253 35.073 32.500 -1.134 0.000 1.365 267 K HN -0.261 nan 8.250 nan 0.000 0.437 268 V N 2.304 121.871 119.914 -0.578 0.000 2.540 268 V HA 0.378 4.498 4.120 -0.001 0.000 0.302 268 V C -0.853 175.028 176.094 -0.356 0.000 1.035 268 V CA -1.010 61.036 62.300 -0.424 0.000 0.873 268 V CB 1.779 33.386 31.823 -0.361 0.000 0.992 268 V HN 0.578 nan 8.190 nan 0.000 0.428 269 L N 6.825 127.894 121.223 -0.257 0.000 2.287 269 L HA 0.652 4.992 4.340 -0.001 0.000 0.287 269 L C -0.484 176.359 176.870 -0.046 0.000 1.022 269 L CA 0.033 54.833 54.840 -0.067 0.000 0.814 269 L CB 1.621 43.650 42.059 -0.051 0.000 1.217 269 L HN 0.423 nan 8.230 nan 0.000 0.420 270 V N 5.719 125.687 119.914 0.090 0.000 2.333 270 V HA 0.680 4.800 4.120 -0.001 0.000 0.274 270 V C 0.595 176.778 176.094 0.149 0.000 1.028 270 V CA 0.061 62.400 62.300 0.064 0.000 0.851 270 V CB 0.801 32.666 31.823 0.070 0.000 1.000 270 V HN 0.941 nan 8.190 nan 0.000 0.456 271 A N 4.389 127.244 122.820 0.058 0.000 3.297 271 A HA 0.520 4.840 4.320 -0.001 0.000 0.304 271 A C 0.523 178.131 177.584 0.039 0.000 0.963 271 A CA -0.048 52.029 52.037 0.067 0.000 0.935 271 A CB 0.730 19.760 19.000 0.050 0.000 1.093 271 A HN 1.045 nan 8.150 nan 0.000 0.480 272 V N -2.512 117.429 119.914 0.045 0.000 3.596 272 V HA 0.646 4.766 4.120 -0.001 0.000 0.289 272 V C 0.713 176.827 176.094 0.034 0.000 1.336 272 V CA 0.525 62.838 62.300 0.021 0.000 1.137 272 V CB -0.819 31.004 31.823 0.000 0.000 0.966 272 V HN 1.560 nan 8.190 nan 0.000 0.428 273 G N 0.151 108.985 108.800 0.057 0.000 2.340 273 G HA2 0.295 4.254 3.960 -0.001 0.000 0.282 273 G HA3 0.295 4.254 3.960 -0.001 0.000 0.282 273 G C -1.384 173.562 174.900 0.076 0.000 1.312 273 G CA -0.829 44.308 45.100 0.062 0.000 0.942 273 G HN 0.355 nan 8.290 nan 0.000 0.495 274 R N -0.360 120.187 120.500 0.078 0.000 2.836 274 R HA 0.722 5.062 4.340 -0.001 0.000 0.269 274 R C -0.928 175.397 176.300 0.041 0.000 1.010 274 R CA -0.917 55.223 56.100 0.067 0.000 0.930 274 R CB 2.206 32.548 30.300 0.071 0.000 1.218 274 R HN 0.703 nan 8.270 nan 0.000 0.473 275 K N 2.418 122.818 120.400 -0.000 0.000 2.463 275 K HA 0.390 4.710 4.320 -0.001 0.000 0.255 275 K C -2.454 174.067 176.600 -0.131 0.000 0.942 275 K CA -1.862 54.377 56.287 -0.080 0.000 0.814 275 K CB 2.030 34.507 32.500 -0.039 0.000 1.122 275 K HN 0.219 nan 8.250 nan 0.000 0.425 276 P HA 0.021 nan 4.420 nan 0.000 0.268 276 P C -1.011 176.203 177.300 -0.144 0.000 1.204 276 P CA 0.001 62.945 63.100 -0.260 0.000 0.768 276 P CB 0.492 31.852 31.700 -0.567 0.000 0.842 277 R N 2.033 122.495 120.500 -0.063 0.000 3.268 277 R HA 0.155 4.495 4.340 -0.001 0.000 0.217 277 R C 0.933 177.228 176.300 -0.008 0.000 1.568 277 R CA 0.083 56.176 56.100 -0.011 0.000 1.322 277 R CB -0.638 29.677 30.300 0.025 0.000 1.280 277 R HN 0.555 nan 8.270 nan 0.000 0.667 278 T N -3.244 111.293 114.554 -0.027 0.000 3.043 278 T HA 0.149 4.498 4.350 -0.001 0.000 0.272 278 T C 0.391 175.097 174.700 0.010 0.000 0.990 278 T CA -0.402 61.688 62.100 -0.016 0.000 0.897 278 T CB 0.457 69.297 68.868 -0.047 0.000 1.111 278 T HN 0.258 nan 8.240 nan 0.000 0.529 279 E N 0.982 121.196 120.200 0.023 0.000 2.277 279 E HA 0.508 4.858 4.350 -0.001 0.000 0.274 279 E C 0.774 177.422 176.600 0.080 0.000 1.022 279 E CA -0.430 55.990 56.400 0.033 0.000 0.853 279 E CB 1.086 30.794 29.700 0.013 0.000 1.086 279 E HN 0.361 nan 8.360 nan 0.000 0.397 280 G N 2.042 110.884 108.800 0.071 0.000 2.225 280 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.267 280 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.267 280 G C 0.366 175.389 174.900 0.206 0.000 1.024 280 G CA 0.562 45.724 45.100 0.103 0.000 0.784 280 G HN 0.426 nan 8.290 nan 0.000 0.507 281 L N -0.321 120.987 121.223 0.143 0.000 2.640 281 L HA 0.555 4.895 4.340 -0.001 0.000 0.230 281 L C 1.932 178.844 176.870 0.069 0.000 1.123 281 L CA 1.456 56.364 54.840 0.113 0.000 0.900 281 L CB 0.050 42.134 42.059 0.041 0.000 1.146 281 L HN 1.353 nan 8.230 nan 0.000 0.484 282 G N -0.487 108.353 108.800 0.067 0.000 2.136 282 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.242 282 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.242 282 G C 0.982 175.899 174.900 0.029 0.000 0.989 282 G CA 0.547 45.675 45.100 0.047 0.000 0.682 282 G HN 0.360 nan 8.290 nan 0.000 0.522 283 L N 0.599 121.837 121.223 0.024 0.000 2.131 283 L HA -0.063 4.277 4.340 -0.001 0.000 0.210 283 L C 2.865 179.743 176.870 0.013 0.000 1.092 283 L CA 1.863 56.711 54.840 0.015 0.000 0.759 283 L CB -0.348 41.718 42.059 0.011 0.000 0.903 283 L HN 0.579 nan 8.230 nan 0.000 0.435 284 E N 0.751 120.960 120.200 0.016 0.000 2.418 284 E HA -0.181 4.168 4.350 -0.001 0.000 0.197 284 E C 1.412 178.020 176.600 0.013 0.000 1.026 284 E CA 0.800 57.207 56.400 0.013 0.000 0.862 284 E CB -0.069 29.639 29.700 0.013 0.000 0.799 284 E HN 0.504 nan 8.360 nan 0.000 0.518 285 K N 0.207 120.617 120.400 0.016 0.000 2.334 285 K HA 0.248 4.567 4.320 -0.001 0.000 0.195 285 K C 1.787 178.395 176.600 0.013 0.000 1.045 285 K CA 0.640 56.937 56.287 0.016 0.000 1.004 285 K CB 0.465 32.978 32.500 0.022 0.000 0.837 285 K HN 0.132 nan 8.250 nan 0.000 0.510 286 A N 0.456 123.283 122.820 0.012 0.000 2.169 286 A HA 0.276 4.595 4.320 -0.001 0.000 0.210 286 A C 1.362 178.947 177.584 0.001 0.000 1.168 286 A CA 0.722 52.763 52.037 0.007 0.000 0.813 286 A CB 0.035 19.039 19.000 0.007 0.000 0.861 286 A HN 0.321 nan 8.150 nan 0.000 0.481 287 G N -1.071 107.730 108.800 0.002 0.000 2.132 287 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.234 287 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.234 287 G C 0.100 174.997 174.900 -0.005 0.000 0.989 287 G CA 0.081 45.180 45.100 -0.001 0.000 0.676 287 G HN 0.782 nan 8.290 nan 0.000 0.522 288 V N 1.339 121.251 119.914 -0.004 0.000 2.455 288 V HA 0.275 4.395 4.120 -0.001 0.000 0.273 288 V C 0.979 177.074 176.094 0.002 0.000 1.045 288 V CA -0.074 62.223 62.300 -0.005 0.000 0.976 288 V CB 1.200 33.021 31.823 -0.004 0.000 0.993 288 V HN 0.328 nan 8.190 nan 0.000 0.475 289 K N 3.752 124.153 120.400 0.002 0.000 2.298 289 K HA 0.536 4.855 4.320 -0.001 0.000 0.280 289 K C -0.764 175.847 176.600 0.018 0.000 1.032 289 K CA -0.310 55.983 56.287 0.009 0.000 0.958 289 K CB 1.435 33.940 32.500 0.008 0.000 0.978 289 K HN 0.457 nan 8.250 nan 0.000 0.472 290 V N 3.076 123.002 119.914 0.021 0.000 2.680 290 V HA 0.081 4.200 4.120 -0.001 0.000 0.309 290 V C -0.254 175.864 176.094 0.039 0.000 1.052 290 V CA -1.029 61.289 62.300 0.031 0.000 0.908 290 V CB 1.874 33.704 31.823 0.013 0.000 1.001 290 V HN 0.888 nan 8.190 nan 0.000 0.431 291 D N 2.046 122.487 120.400 0.069 0.000 2.414 291 D HA 0.132 4.772 4.640 -0.001 0.000 0.251 291 D C 0.887 177.222 176.300 0.058 0.000 1.252 291 D CA -0.406 53.638 54.000 0.073 0.000 0.999 291 D CB 0.687 41.552 40.800 0.109 0.000 1.093 291 D HN 0.569 nan 8.370 nan 0.000 0.515 292 E N -0.852 119.382 120.200 0.055 0.000 2.160 292 E HA -0.186 4.164 4.350 -0.001 0.000 0.195 292 E C 1.839 178.459 176.600 0.033 0.000 0.991 292 E CA 0.905 57.328 56.400 0.037 0.000 0.810 292 E CB -0.112 29.609 29.700 0.035 0.000 0.742 292 E HN 0.381 nan 8.360 nan 0.000 0.466 293 R N -0.666 119.879 120.500 0.076 0.000 2.299 293 R HA 0.045 4.384 4.340 -0.001 0.000 0.197 293 R C 1.274 177.486 176.300 -0.147 0.000 0.971 293 R CA 0.562 56.692 56.100 0.050 0.000 1.030 293 R CB 0.411 30.869 30.300 0.263 0.000 0.932 293 R HN 0.272 nan 8.270 nan 0.000 0.477 294 G N -0.056 108.673 108.800 -0.117 0.000 2.179 294 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.220 294 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.220 294 G C -0.039 174.688 174.900 -0.288 0.000 0.990 294 G CA -0.645 44.324 45.100 -0.219 0.000 0.646 294 G HN 0.176 nan 8.290 nan 0.000 0.517 295 F N 1.034 120.982 119.950 -0.004 0.000 2.396 295 F HA 0.586 5.113 4.527 -0.001 0.000 0.343 295 F C 1.372 177.165 175.800 -0.011 0.000 1.104 295 F CA -0.842 57.152 58.000 -0.011 0.000 1.161 295 F CB 0.831 39.821 39.000 -0.018 0.000 1.146 295 F HN -0.051 nan 8.300 nan 0.000 0.522 296 I N 4.118 124.787 120.570 0.164 0.000 2.517 296 I HA 0.073 4.243 4.170 -0.001 0.000 0.285 296 I C 0.494 176.662 176.117 0.085 0.000 1.106 296 I CA -0.057 61.296 61.300 0.089 0.000 1.402 296 I CB 0.288 38.323 38.000 0.059 0.000 1.399 296 I HN 0.464 nan 8.210 nan 0.000 0.535 297 R N 5.824 126.359 120.500 0.057 0.000 2.421 297 R HA 0.313 4.652 4.340 -0.001 0.000 0.305 297 R C -0.560 175.751 176.300 0.020 0.000 1.039 297 R CA -0.098 56.024 56.100 0.037 0.000 1.003 297 R CB 0.599 30.914 30.300 0.026 0.000 0.959 297 R HN 0.565 nan 8.270 nan 0.000 0.427 298 V N 0.149 120.071 119.914 0.012 0.000 3.078 298 V HA 0.477 4.597 4.120 -0.001 0.000 0.311 298 V C -0.322 175.777 176.094 0.009 0.000 1.138 298 V CA -1.224 61.083 62.300 0.012 0.000 1.007 298 V CB 2.050 33.886 31.823 0.022 0.000 1.045 298 V HN 0.942 nan 8.190 nan 0.000 0.432 299 N N 1.714 120.428 118.700 0.024 0.000 2.643 299 N HA 0.604 5.343 4.740 -0.001 0.000 0.305 299 N C 1.152 176.693 175.510 0.050 0.000 1.283 299 N CA -0.338 52.730 53.050 0.029 0.000 0.946 299 N CB 1.940 40.444 38.487 0.030 0.000 1.149 299 N HN 0.918 nan 8.380 nan 0.000 0.600 300 A N 0.003 122.860 122.820 0.062 0.000 2.076 300 A HA -0.124 4.195 4.320 -0.001 0.000 0.220 300 A C 1.994 179.659 177.584 0.135 0.000 1.160 300 A CA 0.967 53.063 52.037 0.098 0.000 0.653 300 A CB -0.640 18.409 19.000 0.082 0.000 0.801 300 A HN 0.657 nan 8.150 nan 0.000 0.455 301 R N -1.688 118.888 120.500 0.126 0.000 2.310 301 R HA 0.144 4.484 4.340 -0.001 0.000 0.202 301 R C 0.065 176.500 176.300 0.225 0.000 0.933 301 R CA 0.304 56.504 56.100 0.167 0.000 1.054 301 R CB 0.073 30.473 30.300 0.168 0.000 0.985 301 R HN 0.365 nan 8.270 nan 0.000 0.489 302 M N -0.453 119.252 119.600 0.175 0.000 2.943 302 M HA -0.196 4.284 4.480 -0.001 0.000 0.198 302 M C -0.844 175.606 176.300 0.249 0.000 0.606 302 M CA 1.086 56.495 55.300 0.181 0.000 0.744 302 M CB -2.306 30.400 32.600 0.178 0.000 2.671 302 M HN 0.202 nan 8.290 nan 0.000 0.342 303 E N 1.208 121.510 120.200 0.169 0.000 2.331 303 E HA 0.416 4.765 4.350 -0.001 0.000 0.272 303 E C 1.067 177.630 176.600 -0.061 0.000 1.036 303 E CA 0.287 56.657 56.400 -0.051 0.000 0.864 303 E CB 1.153 30.780 29.700 -0.121 0.000 1.035 303 E HN 0.456 nan 8.360 nan 0.000 0.408 304 T N -1.295 113.188 114.554 -0.118 0.000 2.833 304 T HA 0.053 4.402 4.350 -0.001 0.000 0.292 304 T C 1.364 176.021 174.700 -0.072 0.000 1.031 304 T CA -0.186 61.875 62.100 -0.064 0.000 0.937 304 T CB 0.806 69.641 68.868 -0.056 0.000 1.256 304 T HN 0.406 nan 8.240 nan 0.000 0.551 305 S N -1.174 114.499 115.700 -0.045 0.000 2.555 305 S HA 0.103 4.572 4.470 -0.001 0.000 0.230 305 S C 0.498 175.069 174.600 -0.049 0.000 0.978 305 S CA -0.344 57.833 58.200 -0.037 0.000 0.934 305 S CB -0.529 62.659 63.200 -0.020 0.000 0.766 305 S HN 0.550 nan 8.310 nan 0.000 0.533 306 V N 3.596 123.467 119.914 -0.070 0.000 2.357 306 V HA 0.407 4.526 4.120 -0.001 0.000 0.284 306 V C -2.553 173.468 176.094 -0.121 0.000 1.018 306 V CA -2.283 59.973 62.300 -0.073 0.000 0.841 306 V CB 1.164 32.953 31.823 -0.056 0.000 0.991 306 V HN 0.116 nan 8.190 nan 0.000 0.437 307 P HA 0.170 nan 4.420 nan 0.000 0.264 307 P C 1.060 178.272 177.300 -0.147 0.000 1.183 307 P CA 1.499 64.523 63.100 -0.127 0.000 0.763 307 P CB 0.576 32.237 31.700 -0.064 0.000 0.807 308 G N 1.139 109.795 108.800 -0.240 0.000 2.225 308 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.254 308 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.254 308 G C -0.031 174.740 174.900 -0.214 0.000 0.988 308 G CA -0.050 44.958 45.100 -0.154 0.000 0.625 308 G HN 0.545 nan 8.290 nan 0.000 0.527 309 V N 1.435 121.144 119.914 -0.341 0.000 2.384 309 V HA 0.712 4.832 4.120 -0.001 0.000 0.287 309 V C -0.272 175.618 176.094 -0.340 0.000 1.020 309 V CA -0.928 61.253 62.300 -0.199 0.000 0.850 309 V CB 0.961 32.728 31.823 -0.093 0.000 0.987 309 V HN 0.269 nan 8.190 nan 0.000 0.436 310 Y N 2.315 122.619 120.300 0.008 0.000 2.549 310 Y HA 0.858 5.407 4.550 -0.001 0.000 0.339 310 Y C 0.328 176.228 175.900 0.001 0.000 1.053 310 Y CA -0.987 57.117 58.100 0.008 0.000 1.105 310 Y CB 2.024 40.492 38.460 0.012 0.000 1.258 310 Y HN 0.679 nan 8.280 nan 0.000 0.478 311 A N 2.375 125.294 122.820 0.164 0.000 2.449 311 A HA 0.896 5.216 4.320 -0.001 0.000 0.302 311 A C -1.082 176.540 177.584 0.063 0.000 1.048 311 A CA -0.646 51.442 52.037 0.085 0.000 0.708 311 A CB 0.995 20.029 19.000 0.056 0.000 1.274 311 A HN 0.782 nan 8.150 nan 0.000 0.410 312 I N -1.267 119.320 120.570 0.029 0.000 3.191 312 I HA 0.925 5.094 4.170 -0.001 0.000 0.313 312 I C 0.565 176.666 176.117 -0.027 0.000 1.193 312 I CA -0.371 60.922 61.300 -0.010 0.000 0.968 312 I CB 1.799 39.789 38.000 -0.017 0.000 1.262 312 I HN 1.813 nan 8.210 nan 0.000 0.456 313 G N 2.419 111.180 108.800 -0.066 0.000 2.575 313 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.267 313 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.267 313 G C 0.124 175.014 174.900 -0.017 0.000 1.264 313 G CA 0.814 45.875 45.100 -0.065 0.000 0.935 313 G HN 0.879 nan 8.290 nan 0.000 0.568 314 D N 0.321 120.729 120.400 0.013 0.000 2.190 314 D HA 0.052 4.692 4.640 -0.001 0.000 0.200 314 D C 2.700 179.122 176.300 0.204 0.000 0.992 314 D CA 2.455 56.514 54.000 0.099 0.000 0.854 314 D CB -0.596 40.244 40.800 0.068 0.000 0.936 314 D HN 0.921 nan 8.370 nan 0.000 0.462 315 A N 0.090 122.979 122.820 0.115 0.000 2.066 315 A HA 0.176 4.496 4.320 -0.001 0.000 0.218 315 A C 2.156 179.869 177.584 0.215 0.000 1.157 315 A CA 1.591 53.696 52.037 0.113 0.000 0.670 315 A CB -0.225 18.797 19.000 0.035 0.000 0.804 315 A HN 0.233 nan 8.150 nan 0.000 0.453 316 A N -0.313 122.611 122.820 0.172 0.000 1.911 316 A HA 0.385 4.705 4.320 -0.001 0.000 0.212 316 A C 1.047 178.673 177.584 0.071 0.000 1.189 316 A CA 0.989 53.097 52.037 0.118 0.000 0.639 316 A CB 0.079 19.085 19.000 0.010 0.000 0.839 316 A HN 0.731 nan 8.150 nan 0.000 0.449 317 R N -2.961 117.490 120.500 -0.082 0.000 3.062 317 R HA 0.320 4.660 4.340 -0.001 0.000 0.279 317 R C -3.744 172.264 176.300 -0.488 0.000 1.003 317 R CA -1.333 54.437 56.100 -0.549 0.000 0.872 317 R CB -0.012 30.071 30.300 -0.362 0.000 1.280 317 R HN -0.094 nan 8.270 nan 0.000 0.516 318 P HA 0.305 nan 4.420 nan 0.000 0.278 318 P C -2.407 174.759 177.300 -0.222 0.000 1.266 318 P CA -1.315 61.597 63.100 -0.314 0.000 0.807 318 P CB 0.262 31.787 31.700 -0.291 0.000 1.094 319 P HA 0.105 nan 4.420 nan 0.000 0.271 319 P C -0.525 176.729 177.300 -0.078 0.000 1.218 319 P CA 0.202 63.260 63.100 -0.071 0.000 0.780 319 P CB 0.506 32.197 31.700 -0.015 0.000 0.901 320 L N 3.301 124.506 121.223 -0.030 0.000 2.480 320 L HA 0.267 4.606 4.340 -0.001 0.000 0.243 320 L C 0.320 177.167 176.870 -0.038 0.000 1.315 320 L CA -0.055 54.777 54.840 -0.012 0.000 1.231 320 L CB -0.938 41.150 42.059 0.049 0.000 1.444 320 L HN 0.203 nan 8.230 nan 0.000 0.409 321 L N -0.086 121.071 121.223 -0.111 0.000 2.342 321 L HA 0.565 4.904 4.340 -0.001 0.000 0.271 321 L C 1.250 177.964 176.870 -0.261 0.000 1.008 321 L CA -0.449 54.275 54.840 -0.194 0.000 0.818 321 L CB 1.899 43.751 42.059 -0.344 0.000 1.296 321 L HN 0.339 nan 8.230 nan 0.000 0.427 322 A N 1.205 123.904 122.820 -0.201 0.000 1.858 322 A HA -0.191 4.129 4.320 -0.001 0.000 0.216 322 A C 2.037 179.514 177.584 -0.179 0.000 1.190 322 A CA 1.733 53.688 52.037 -0.136 0.000 0.617 322 A CB -0.873 18.120 19.000 -0.011 0.000 0.827 322 A HN 0.954 nan 8.150 nan 0.000 0.443 323 H N -0.246 118.801 119.070 -0.038 0.000 2.456 323 H HA -0.106 4.450 4.556 -0.001 0.000 0.296 323 H C 1.829 177.138 175.328 -0.031 0.000 1.079 323 H CA 1.514 57.527 56.048 -0.058 0.000 1.322 323 H CB -0.479 29.276 29.762 -0.011 0.000 1.388 323 H HN 0.646 nan 8.280 nan 0.000 0.538 324 K N 1.687 121.933 120.400 -0.255 0.000 2.031 324 K HA -0.014 4.305 4.320 -0.001 0.000 0.205 324 K C 2.531 179.098 176.600 -0.056 0.000 1.049 324 K CA 1.095 57.358 56.287 -0.040 0.000 0.939 324 K CB -0.183 32.232 32.500 -0.141 0.000 0.717 324 K HN 0.197 nan 8.250 nan 0.000 0.438 325 A N 1.490 124.220 122.820 -0.151 0.000 1.908 325 A HA -0.168 4.152 4.320 -0.001 0.000 0.218 325 A C 2.182 179.655 177.584 -0.184 0.000 1.181 325 A CA 1.897 53.844 52.037 -0.149 0.000 0.627 325 A CB -0.544 18.365 19.000 -0.153 0.000 0.818 325 A HN 0.413 nan 8.150 nan 0.000 0.445 326 M N -1.556 117.866 119.600 -0.296 0.000 2.086 326 M HA -0.156 4.324 4.480 -0.001 0.000 0.261 326 M C 2.356 178.508 176.300 -0.247 0.000 1.067 326 M CA 2.020 56.984 55.300 -0.559 0.000 1.116 326 M CB -0.296 31.767 32.600 -0.895 0.000 1.348 326 M HN 0.373 nan 8.290 nan 0.000 0.407 327 R N 1.032 121.481 120.500 -0.085 0.000 2.075 327 R HA -0.105 4.235 4.340 -0.001 0.000 0.232 327 R C 1.677 178.060 176.300 0.138 0.000 1.126 327 R CA 1.784 57.896 56.100 0.020 0.000 0.963 327 R CB -0.506 29.822 30.300 0.048 0.000 0.858 327 R HN 0.439 nan 8.270 nan 0.000 0.435 328 E N -1.091 119.218 120.200 0.180 0.000 2.110 328 E HA -0.109 4.241 4.350 -0.001 0.000 0.193 328 E C 1.838 178.466 176.600 0.047 0.000 0.988 328 E CA 1.131 57.614 56.400 0.138 0.000 0.804 328 E CB -0.261 29.423 29.700 -0.028 0.000 0.745 328 E HN 0.609 nan 8.360 nan 0.000 0.458 329 G N 1.382 110.179 108.800 -0.005 0.000 2.422 329 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.218 329 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.218 329 G C 1.591 176.488 174.900 -0.004 0.000 1.146 329 G CA 0.376 45.466 45.100 -0.017 0.000 0.769 329 G HN 0.080 nan 8.290 nan 0.000 0.547 330 L N 0.430 121.667 121.223 0.023 0.000 2.046 330 L HA -0.060 4.279 4.340 -0.001 0.000 0.208 330 L C 2.815 179.683 176.870 -0.003 0.000 1.077 330 L CA 0.470 55.319 54.840 0.016 0.000 0.747 330 L CB -0.443 41.630 42.059 0.023 0.000 0.896 330 L HN 0.116 nan 8.230 nan 0.000 0.432 331 I N 0.497 121.086 120.570 0.032 0.000 2.179 331 I HA -0.242 3.927 4.170 -0.001 0.000 0.242 331 I C 2.886 178.967 176.117 -0.059 0.000 1.088 331 I CA 1.663 62.989 61.300 0.044 0.000 1.357 331 I CB -1.523 36.571 38.000 0.157 0.000 1.051 331 I HN 0.174 nan 8.210 nan 0.000 0.409 332 A N 0.962 123.714 122.820 -0.113 0.000 1.902 332 A HA -0.106 4.213 4.320 -0.001 0.000 0.217 332 A C 2.583 179.887 177.584 -0.466 0.000 1.181 332 A CA 2.062 53.876 52.037 -0.371 0.000 0.623 332 A CB -0.803 18.053 19.000 -0.239 0.000 0.818 332 A HN 0.419 nan 8.150 nan 0.000 0.443 333 A N -0.232 122.452 122.820 -0.227 0.000 1.902 333 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 333 A C 1.920 179.420 177.584 -0.140 0.000 1.181 333 A CA 1.676 53.614 52.037 -0.164 0.000 0.623 333 A CB -0.534 18.419 19.000 -0.078 0.000 0.818 333 A HN 0.637 nan 8.150 nan 0.000 0.443 334 E N -0.126 120.011 120.200 -0.105 0.000 2.077 334 E HA -0.163 4.187 4.350 -0.001 0.000 0.193 334 E C 1.701 178.261 176.600 -0.067 0.000 0.989 334 E CA 1.106 57.470 56.400 -0.060 0.000 0.800 334 E CB -0.167 29.518 29.700 -0.025 0.000 0.746 334 E HN 0.527 nan 8.360 nan 0.000 0.452 335 N N 0.582 119.208 118.700 -0.123 0.000 2.270 335 N HA -0.081 4.658 4.740 -0.001 0.000 0.181 335 N C 1.622 177.102 175.510 -0.049 0.000 1.016 335 N CA 1.093 54.103 53.050 -0.066 0.000 0.870 335 N CB -0.172 38.299 38.487 -0.026 0.000 0.979 335 N HN 0.107 nan 8.380 nan 0.000 0.431 336 A N 0.646 123.325 122.820 -0.235 0.000 2.015 336 A HA 0.123 4.443 4.320 -0.001 0.000 0.219 336 A C 2.031 179.623 177.584 0.014 0.000 1.163 336 A CA 1.450 53.453 52.037 -0.057 0.000 0.646 336 A CB -0.369 18.550 19.000 -0.135 0.000 0.806 336 A HN 0.272 nan 8.150 nan 0.000 0.448 337 A N -1.864 120.944 122.820 -0.019 0.000 2.238 337 A HA 0.428 4.748 4.320 -0.001 0.000 0.208 337 A C 1.689 179.285 177.584 0.020 0.000 1.177 337 A CA 1.133 53.173 52.037 0.005 0.000 0.804 337 A CB -0.830 18.165 19.000 -0.008 0.000 0.823 337 A HN 1.774 nan 8.150 nan 0.000 0.482 338 G N -0.776 108.044 108.800 0.034 0.000 2.176 338 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.232 338 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.232 338 G C 0.429 175.351 174.900 0.036 0.000 0.986 338 G CA 0.451 45.576 45.100 0.042 0.000 0.643 338 G HN 0.561 nan 8.290 nan 0.000 0.522 339 K N -0.122 120.294 120.400 0.026 0.000 2.440 339 K HA 0.485 4.804 4.320 -0.001 0.000 0.252 339 K C -0.621 176.002 176.600 0.038 0.000 1.044 339 K CA -0.164 56.138 56.287 0.025 0.000 0.962 339 K CB 0.396 32.905 32.500 0.015 0.000 1.269 339 K HN 0.050 nan 8.250 nan 0.000 0.505 340 D N 0.524 120.946 120.400 0.037 0.000 2.400 340 D HA 0.195 4.834 4.640 -0.001 0.000 0.272 340 D C -1.356 174.973 176.300 0.048 0.000 1.220 340 D CA -0.117 53.911 54.000 0.047 0.000 0.897 340 D CB 0.551 41.375 40.800 0.040 0.000 1.134 340 D HN 0.278 nan 8.370 nan 0.000 0.507 341 S N 0.487 116.221 115.700 0.058 0.000 2.593 341 S HA 0.957 5.426 4.470 -0.001 0.000 0.297 341 S C -0.407 174.250 174.600 0.095 0.000 1.112 341 S CA -0.665 57.578 58.200 0.072 0.000 1.043 341 S CB 1.876 65.119 63.200 0.071 0.000 1.054 341 S HN 0.537 nan 8.310 nan 0.000 0.516 342 A N 1.306 124.188 122.820 0.102 0.000 2.498 342 A HA 0.753 5.073 4.320 -0.001 0.000 0.298 342 A C -1.572 176.107 177.584 0.158 0.000 1.075 342 A CA -0.617 51.489 52.037 0.116 0.000 0.714 342 A CB 0.858 19.889 19.000 0.052 0.000 1.299 342 A HN 0.680 nan 8.150 nan 0.000 0.407 343 F N 2.886 122.875 119.950 0.065 0.000 2.390 343 F HA 0.475 5.001 4.527 -0.000 0.000 0.361 343 F C -0.050 175.702 175.800 -0.080 0.000 1.124 343 F CA -0.637 57.430 58.000 0.112 0.000 1.149 343 F CB 1.105 40.190 39.000 0.141 0.000 1.160 343 F HN 0.560 nan 8.300 nan 0.000 0.501 344 D N 3.378 123.489 120.400 -0.483 0.000 2.785 344 D HA 0.092 4.732 4.640 -0.001 0.000 0.324 344 D C -0.922 175.013 176.300 -0.609 0.000 1.523 344 D CA -0.141 53.631 54.000 -0.380 0.000 0.789 344 D CB -1.012 39.572 40.800 -0.360 0.000 1.171 344 D HN 0.285 nan 8.370 nan 0.000 0.447 348 V N 4.129 124.157 119.914 0.189 0.000 2.334 348 V HA 0.472 4.592 4.120 -0.001 0.000 0.281 348 V C -1.842 174.372 176.094 0.200 0.000 1.016 348 V CA -1.160 61.286 62.300 0.244 0.000 0.832 348 V CB 1.303 33.293 31.823 0.278 0.000 0.999 348 V HN 0.527 nan 8.190 nan 0.000 0.439 349 P HA 0.455 nan 4.420 nan 0.000 0.278 349 P C -0.754 176.693 177.300 0.245 0.000 1.258 349 P CA -0.383 62.774 63.100 0.096 0.000 0.811 349 P CB 1.639 33.305 31.700 -0.058 0.000 1.063 350 S N -0.304 115.524 115.700 0.213 0.000 2.538 350 S HA 0.642 5.112 4.470 -0.001 0.000 0.288 350 S C -0.688 174.085 174.600 0.289 0.000 1.108 350 S CA -0.687 57.704 58.200 0.319 0.000 0.971 350 S CB 1.134 64.558 63.200 0.373 0.000 1.041 350 S HN 0.224 nan 8.310 nan 0.000 0.483 351 V N 2.222 122.290 119.914 0.257 0.000 2.735 351 V HA 0.625 4.745 4.120 -0.001 0.000 0.310 351 V C -0.762 175.444 176.094 0.187 0.000 1.061 351 V CA -0.753 61.614 62.300 0.111 0.000 0.913 351 V CB 2.043 33.729 31.823 -0.229 0.000 1.005 351 V HN 0.856 nan 8.190 nan 0.000 0.428 352 V N 4.248 124.271 119.914 0.182 0.000 2.378 352 V HA 0.319 4.439 4.120 -0.001 0.000 0.288 352 V C -0.488 175.668 176.094 0.104 0.000 1.016 352 V CA -0.431 62.006 62.300 0.229 0.000 0.840 352 V CB 1.313 33.287 31.823 0.253 0.000 0.994 352 V HN 0.859 nan 8.190 nan 0.000 0.431 353 Y N 2.384 122.764 120.300 0.134 0.000 2.496 353 Y HA 0.094 4.644 4.550 -0.001 0.000 0.313 353 Y C 1.809 177.767 175.900 0.097 0.000 1.184 353 Y CA -0.421 57.745 58.100 0.110 0.000 1.275 353 Y CB -0.806 37.712 38.460 0.097 0.000 1.103 353 Y HN 0.739 nan 8.280 nan 0.000 0.513 354 T N -2.958 111.713 114.554 0.195 0.000 2.698 354 T HA 0.210 4.560 4.350 -0.001 0.000 0.295 354 T C 0.332 175.093 174.700 0.103 0.000 1.007 354 T CA -0.781 61.398 62.100 0.132 0.000 0.980 354 T CB 1.400 70.331 68.868 0.105 0.000 1.036 354 T HN 0.140 nan 8.240 nan 0.000 0.526 355 S N 2.235 117.970 115.700 0.058 0.000 2.707 355 S HA 0.468 4.938 4.470 -0.001 0.000 0.312 355 S C -2.593 172.023 174.600 0.027 0.000 1.116 355 S CA -1.577 56.648 58.200 0.042 0.000 1.078 355 S CB 0.511 63.721 63.200 0.017 0.000 0.997 355 S HN 0.677 nan 8.310 nan 0.000 0.477 356 P HA 0.182 nan 4.420 nan 0.000 0.272 356 P C -0.505 176.845 177.300 0.084 0.000 1.230 356 P CA -0.277 62.862 63.100 0.066 0.000 0.788 356 P CB 0.642 32.384 31.700 0.070 0.000 0.949 357 E N 0.070 120.308 120.200 0.062 0.000 2.345 357 E HA 0.258 4.607 4.350 -0.001 0.000 0.259 357 E C -0.928 175.740 176.600 0.114 0.000 1.117 357 E CA -0.211 56.223 56.400 0.058 0.000 0.913 357 E CB 0.818 30.491 29.700 -0.045 0.000 1.057 357 E HN 0.484 nan 8.360 nan 0.000 0.432 358 W N 0.288 121.563 121.300 -0.043 0.000 2.785 358 W HA 0.565 5.225 4.660 -0.001 0.000 0.333 358 W C -1.588 174.914 176.519 -0.028 0.000 1.062 358 W CA -0.345 56.996 57.345 -0.005 0.000 1.233 358 W CB 1.567 31.042 29.460 0.026 0.000 1.413 358 W HN 0.530 nan 8.180 nan 0.000 0.489 359 A N 3.402 125.679 122.820 -0.904 0.000 2.574 359 A HA 0.887 5.207 4.320 -0.001 0.000 0.297 359 A C -0.934 175.936 177.584 -1.190 0.000 1.062 359 A CA -0.321 51.264 52.037 -0.754 0.000 0.686 359 A CB 1.304 20.065 19.000 -0.398 0.000 1.285 359 A HN 1.258 nan 8.150 nan 0.000 0.403 360 G N -0.849 107.525 108.800 -0.710 0.000 2.718 360 G HA2 0.746 4.706 3.960 -0.001 0.000 0.295 360 G HA3 0.746 4.706 3.960 -0.001 0.000 0.295 360 G C -1.848 172.870 174.900 -0.304 0.000 1.421 360 G CA -0.157 44.615 45.100 -0.546 0.000 0.902 360 G HN 1.932 nan 8.290 nan 0.000 0.501 361 V N 0.359 119.957 119.914 -0.526 0.000 3.000 361 V HA 0.851 4.971 4.120 -0.001 0.000 0.300 361 V C 0.533 176.442 176.094 -0.308 0.000 1.251 361 V CA 1.394 63.539 62.300 -0.259 0.000 0.972 361 V CB 1.499 33.202 31.823 -0.200 0.000 1.065 361 V HN 2.834 nan 8.190 nan 0.000 0.431 362 G N 4.562 113.305 108.800 -0.095 0.000 2.545 362 G HA2 -0.104 3.856 3.960 -0.001 0.000 0.216 362 G HA3 -0.104 3.856 3.960 -0.001 0.000 0.216 362 G C -0.954 173.997 174.900 0.086 0.000 1.314 362 G CA -0.212 44.858 45.100 -0.050 0.000 0.906 362 G HN 1.311 nan 8.290 nan 0.000 0.563 363 L N 1.594 122.880 121.223 0.106 0.000 2.312 363 L HA 0.562 4.901 4.340 -0.001 0.000 0.281 363 L C 1.562 178.660 176.870 0.379 0.000 1.070 363 L CA -0.296 54.669 54.840 0.208 0.000 0.805 363 L CB 1.476 43.601 42.059 0.110 0.000 1.174 363 L HN 1.008 nan 8.230 nan 0.000 0.434 364 T N -2.013 112.741 114.554 0.334 0.000 2.788 364 T HA 0.136 4.486 4.350 -0.001 0.000 0.287 364 T C 0.933 175.704 174.700 0.119 0.000 1.007 364 T CA -0.633 61.554 62.100 0.145 0.000 1.005 364 T CB 1.017 69.854 68.868 -0.052 0.000 1.012 364 T HN 0.654 nan 8.240 nan 0.000 0.530 365 E N 0.124 120.357 120.200 0.055 0.000 2.085 365 E HA -0.211 4.138 4.350 -0.001 0.000 0.194 365 E C 2.085 178.727 176.600 0.070 0.000 0.994 365 E CA 1.428 57.871 56.400 0.071 0.000 0.801 365 E CB -0.104 29.623 29.700 0.044 0.000 0.743 365 E HN 0.892 nan 8.360 nan 0.000 0.453 366 E N 1.247 121.474 120.200 0.045 0.000 2.051 366 E HA -0.241 4.108 4.350 -0.001 0.000 0.192 366 E C 1.828 178.472 176.600 0.073 0.000 0.991 366 E CA 1.240 57.669 56.400 0.048 0.000 0.799 366 E CB 0.087 29.803 29.700 0.026 0.000 0.748 366 E HN 0.286 nan 8.360 nan 0.000 0.449 367 E N 0.228 120.480 120.200 0.087 0.000 2.072 367 E HA -0.165 4.185 4.350 -0.001 0.000 0.191 367 E C 2.085 178.777 176.600 0.153 0.000 0.985 367 E CA 0.828 57.294 56.400 0.110 0.000 0.801 367 E CB -0.140 29.633 29.700 0.121 0.000 0.750 367 E HN 0.363 nan 8.360 nan 0.000 0.452 368 A N 1.948 124.868 122.820 0.167 0.000 1.902 368 A HA -0.243 4.076 4.320 -0.001 0.000 0.217 368 A C 2.096 179.856 177.584 0.294 0.000 1.181 368 A CA 1.735 53.922 52.037 0.250 0.000 0.623 368 A CB -0.400 18.682 19.000 0.136 0.000 0.818 368 A HN 0.093 nan 8.150 nan 0.000 0.443 369 K N -0.593 119.912 120.400 0.175 0.000 2.026 369 K HA -0.206 4.113 4.320 -0.001 0.000 0.208 369 K C 2.269 178.928 176.600 0.098 0.000 1.048 369 K CA 1.680 58.045 56.287 0.130 0.000 0.929 369 K CB -0.183 32.369 32.500 0.087 0.000 0.713 369 K HN 0.290 nan 8.250 nan 0.000 0.439 370 R N 0.313 120.867 120.500 0.090 0.000 2.127 370 R HA -0.070 4.270 4.340 -0.001 0.000 0.238 370 R C 1.698 178.028 176.300 0.049 0.000 1.134 370 R CA 1.572 57.709 56.100 0.061 0.000 0.975 370 R CB -0.368 29.969 30.300 0.061 0.000 0.865 370 R HN 0.323 nan 8.270 nan 0.000 0.447 371 A N -1.115 121.756 122.820 0.085 0.000 2.238 371 A HA 0.279 4.599 4.320 -0.001 0.000 0.208 371 A C 1.355 178.839 177.584 -0.167 0.000 1.177 371 A CA 0.642 52.690 52.037 0.018 0.000 0.804 371 A CB -0.355 18.746 19.000 0.168 0.000 0.823 371 A HN 0.544 nan 8.150 nan 0.000 0.482 372 G N -2.394 106.351 108.800 -0.092 0.000 2.141 372 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.231 372 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.231 372 G C -0.042 174.757 174.900 -0.169 0.000 0.984 372 G CA 0.179 45.192 45.100 -0.146 0.000 0.660 372 G HN 0.447 nan 8.290 nan 0.000 0.525 373 Y N 0.440 120.765 120.300 0.042 0.000 2.300 373 Y HA 0.531 5.081 4.550 -0.001 0.000 0.328 373 Y C 1.091 177.022 175.900 0.052 0.000 1.270 373 Y CA -0.526 57.604 58.100 0.050 0.000 1.352 373 Y CB 0.722 39.219 38.460 0.061 0.000 1.286 373 Y HN -0.160 nan 8.280 nan 0.000 0.536 374 K N 2.551 123.091 120.400 0.233 0.000 2.142 374 K HA 0.200 4.520 4.320 -0.001 0.000 0.250 374 K C -0.896 175.798 176.600 0.156 0.000 1.148 374 K CA -0.221 56.154 56.287 0.146 0.000 1.040 374 K CB -0.160 32.410 32.500 0.116 0.000 1.569 374 K HN 0.387 nan 8.250 nan 0.000 0.361 375 V N 2.698 122.699 119.914 0.146 0.000 2.617 375 V HA -0.014 4.106 4.120 -0.001 0.000 0.304 375 V C 0.664 176.808 176.094 0.082 0.000 1.040 375 V CA 0.413 62.790 62.300 0.128 0.000 1.149 375 V CB -0.021 31.870 31.823 0.113 0.000 0.914 375 V HN 0.533 nan 8.190 nan 0.000 0.487 376 K N 3.775 124.237 120.400 0.104 0.000 2.498 376 K HA 0.749 5.068 4.320 -0.001 0.000 0.254 376 K C -1.291 175.362 176.600 0.089 0.000 0.933 376 K CA -0.665 55.601 56.287 -0.035 0.000 0.806 376 K CB 2.452 34.787 32.500 -0.275 0.000 1.301 376 K HN 0.579 nan 8.250 nan 0.000 0.432 377 V N -0.948 118.961 119.914 -0.008 0.000 3.074 377 V HA 0.954 5.074 4.120 -0.001 0.000 0.314 377 V C -0.385 175.779 176.094 0.116 0.000 1.117 377 V CA -0.633 61.757 62.300 0.150 0.000 1.014 377 V CB 1.761 33.650 31.823 0.110 0.000 1.057 377 V HN 0.814 nan 8.190 nan 0.000 0.438 378 G N 1.285 110.225 108.800 0.232 0.000 2.617 378 G HA2 0.733 4.692 3.960 -0.001 0.000 0.306 378 G HA3 0.733 4.692 3.960 -0.001 0.000 0.306 378 G C -1.285 173.700 174.900 0.141 0.000 1.360 378 G CA -0.955 44.252 45.100 0.180 0.000 0.983 378 G HN 0.830 nan 8.290 nan 0.000 0.496 379 K N 0.686 121.164 120.400 0.128 0.000 2.427 379 K HA 0.528 4.847 4.320 -0.001 0.000 0.252 379 K C -2.019 174.698 176.600 0.196 0.000 0.931 379 K CA -0.754 55.612 56.287 0.132 0.000 0.793 379 K CB 3.005 35.555 32.500 0.082 0.000 1.211 379 K HN 0.365 nan 8.250 nan 0.000 0.426 380 F N 4.647 124.610 119.950 0.021 0.000 2.539 380 F HA 0.359 4.885 4.527 -0.000 0.000 0.328 380 F C -2.534 173.276 175.800 0.016 0.000 1.148 380 F CA -2.176 55.836 58.000 0.019 0.000 0.940 380 F CB 1.641 40.645 39.000 0.008 0.000 1.194 380 F HN 0.298 nan 8.300 nan 0.000 0.438 381 P HA 0.172 nan 4.420 nan 0.000 0.285 381 P C 0.685 177.717 177.300 -0.446 0.000 1.259 381 P CA -0.210 62.672 63.100 -0.364 0.000 0.794 381 P CB 1.930 33.460 31.700 -0.283 0.000 0.940 382 L N 2.619 123.743 121.223 -0.165 0.000 2.353 382 L HA -0.174 4.166 4.340 -0.001 0.000 0.220 382 L C 2.414 179.231 176.870 -0.087 0.000 1.133 382 L CA 1.352 56.150 54.840 -0.070 0.000 0.798 382 L CB -0.620 41.439 42.059 0.000 0.000 0.922 382 L HN 0.426 nan 8.230 nan 0.000 0.445 383 A N -0.110 122.638 122.820 -0.120 0.000 2.076 383 A HA -0.123 4.197 4.320 -0.001 0.000 0.220 383 A C 2.207 179.738 177.584 -0.089 0.000 1.160 383 A CA 1.585 53.573 52.037 -0.081 0.000 0.653 383 A CB -0.374 18.580 19.000 -0.076 0.000 0.801 383 A HN 0.415 nan 8.150 nan 0.000 0.455 384 A N -0.956 121.755 122.820 -0.181 0.000 2.275 384 A HA 0.403 4.723 4.320 -0.001 0.000 0.212 384 A C 1.147 178.748 177.584 0.027 0.000 1.201 384 A CA 0.614 52.587 52.037 -0.108 0.000 0.843 384 A CB -0.299 18.552 19.000 -0.248 0.000 0.873 384 A HN 0.379 nan 8.150 nan 0.000 0.492 385 S N -0.327 115.396 115.700 0.038 0.000 2.465 385 S HA 0.439 4.909 4.470 -0.001 0.000 0.279 385 S C 1.449 176.057 174.600 0.013 0.000 1.201 385 S CA 0.017 58.269 58.200 0.086 0.000 1.053 385 S CB 1.044 64.316 63.200 0.120 0.000 0.953 385 S HN 0.448 nan 8.310 nan 0.000 0.488 386 G N 4.660 113.449 108.800 -0.020 0.000 2.408 386 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.217 386 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.217 386 G C 1.509 176.375 174.900 -0.055 0.000 1.150 386 G CA 0.496 45.580 45.100 -0.028 0.000 0.776 386 G HN 0.649 nan 8.290 nan 0.000 0.542 387 R N 1.341 121.787 120.500 -0.090 0.000 2.081 387 R HA 0.097 4.437 4.340 -0.001 0.000 0.235 387 R C 2.753 179.036 176.300 -0.029 0.000 1.131 387 R CA 1.803 57.853 56.100 -0.082 0.000 0.960 387 R CB -1.073 29.172 30.300 -0.093 0.000 0.856 387 R HN 0.223 nan 8.270 nan 0.000 0.436 388 A N 0.385 123.202 122.820 -0.005 0.000 1.940 388 A HA -0.154 4.165 4.320 -0.001 0.000 0.219 388 A C 2.100 179.701 177.584 0.028 0.000 1.176 388 A CA 1.612 53.659 52.037 0.018 0.000 0.631 388 A CB -0.702 18.314 19.000 0.026 0.000 0.814 388 A HN 0.352 nan 8.150 nan 0.000 0.446 389 L N 0.308 121.543 121.223 0.019 0.000 2.093 389 L HA -0.100 4.240 4.340 -0.001 0.000 0.208 389 L C 2.785 179.675 176.870 0.033 0.000 1.085 389 L CA 2.610 57.468 54.840 0.030 0.000 0.755 389 L CB -0.771 41.301 42.059 0.021 0.000 0.904 389 L HN 0.594 nan 8.230 nan 0.000 0.435 390 T N -3.505 111.052 114.554 0.006 0.000 3.051 390 T HA -0.108 4.242 4.350 -0.001 0.000 0.269 390 T C 1.550 176.253 174.700 0.004 0.000 1.127 390 T CA 0.902 62.995 62.100 -0.012 0.000 1.107 390 T CB -0.478 68.365 68.868 -0.042 0.000 0.898 390 T HN 0.340 nan 8.240 nan 0.000 0.517 391 L N 0.417 121.664 121.223 0.040 0.000 2.628 391 L HA 0.427 4.766 4.340 -0.001 0.000 0.229 391 L C 1.938 178.930 176.870 0.204 0.000 1.137 391 L CA 0.266 55.152 54.840 0.077 0.000 0.909 391 L CB -0.296 41.783 42.059 0.035 0.000 1.137 391 L HN 0.565 nan 8.230 nan 0.000 0.470 392 G N 0.022 108.939 108.800 0.194 0.000 2.176 392 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.253 392 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.253 392 G C 0.403 175.411 174.900 0.180 0.000 0.979 392 G CA -0.202 45.050 45.100 0.253 0.000 0.641 392 G HN 0.674 nan 8.290 nan 0.000 0.530 393 G N -1.462 107.421 108.800 0.137 0.000 2.299 393 G HA2 0.669 4.629 3.960 -0.001 0.000 0.312 393 G HA3 0.669 4.629 3.960 -0.001 0.000 0.312 393 G C -0.620 174.325 174.900 0.074 0.000 1.654 393 G CA 0.699 45.860 45.100 0.102 0.000 0.912 393 G HN 1.814 nan 8.290 nan 0.000 0.667 394 A N 1.536 124.386 122.820 0.049 0.000 2.654 394 A HA 0.776 5.096 4.320 -0.001 0.000 0.345 394 A C -0.257 177.340 177.584 0.023 0.000 1.368 394 A CA -0.436 51.619 52.037 0.030 0.000 0.895 394 A CB 0.925 19.932 19.000 0.013 0.000 1.143 394 A HN 0.515 nan 8.150 nan 0.000 0.490 395 E N 1.200 121.420 120.200 0.034 0.000 2.235 395 E HA 0.630 4.980 4.350 -0.001 0.000 0.252 395 E C 0.140 176.759 176.600 0.032 0.000 0.886 395 E CA 0.632 57.051 56.400 0.032 0.000 0.767 395 E CB 1.222 30.951 29.700 0.048 0.000 1.205 395 E HN 1.129 nan 8.360 nan 0.000 0.421 396 G N 2.211 111.023 108.800 0.020 0.000 2.352 396 G HA2 0.415 4.375 3.960 -0.001 0.000 0.283 396 G HA3 0.415 4.375 3.960 -0.001 0.000 0.283 396 G C -1.271 173.636 174.900 0.012 0.000 1.308 396 G CA -0.232 44.885 45.100 0.027 0.000 0.892 396 G HN 0.730 nan 8.290 nan 0.000 0.504 397 M N -1.973 117.642 119.600 0.026 0.000 2.790 397 M HA 0.748 5.227 4.480 -0.001 0.000 0.272 397 M C -2.003 174.326 176.300 0.049 0.000 1.168 397 M CA -1.017 54.302 55.300 0.031 0.000 0.829 397 M CB 1.866 34.481 32.600 0.025 0.000 1.675 397 M HN 0.856 nan 8.290 nan 0.000 0.505 398 V N 1.783 121.747 119.914 0.085 0.000 2.540 398 V HA 0.665 4.784 4.120 -0.001 0.000 0.302 398 V C -0.857 175.292 176.094 0.092 0.000 1.035 398 V CA -0.498 61.842 62.300 0.065 0.000 0.873 398 V CB 1.953 33.813 31.823 0.062 0.000 0.992 398 V HN 0.800 nan 8.190 nan 0.000 0.428 399 K N 4.013 124.469 120.400 0.094 0.000 2.376 399 K HA 0.739 5.058 4.320 -0.001 0.000 0.257 399 K C -1.179 175.495 176.600 0.123 0.000 0.939 399 K CA -0.506 55.859 56.287 0.131 0.000 0.809 399 K CB 2.126 34.729 32.500 0.171 0.000 1.121 399 K HN 0.607 nan 8.250 nan 0.000 0.425 400 V N 1.003 120.978 119.914 0.102 0.000 2.513 400 V HA 0.621 4.741 4.120 -0.001 0.000 0.299 400 V C -0.563 175.604 176.094 0.123 0.000 1.035 400 V CA -0.826 61.502 62.300 0.047 0.000 0.889 400 V CB 1.564 33.358 31.823 -0.048 0.000 0.988 400 V HN 0.384 nan 8.190 nan 0.000 0.440 401 V N 4.259 124.227 119.914 0.091 0.000 2.417 401 V HA 0.951 5.070 4.120 -0.001 0.000 0.291 401 V C 0.763 176.877 176.094 0.034 0.000 1.024 401 V CA 0.562 62.942 62.300 0.133 0.000 0.861 401 V CB 0.982 32.907 31.823 0.170 0.000 0.985 401 V HN 1.366 nan 8.190 nan 0.000 0.436 402 G N 2.287 111.176 108.800 0.149 0.000 2.727 402 G HA2 0.467 4.427 3.960 -0.001 0.000 0.289 402 G HA3 0.467 4.427 3.960 -0.001 0.000 0.289 402 G C -1.872 173.137 174.900 0.181 0.000 1.418 402 G CA -0.438 44.674 45.100 0.020 0.000 0.818 402 G HN 0.528 nan 8.290 nan 0.000 0.486 403 D N -0.303 120.164 120.400 0.112 0.000 2.274 403 D HA 0.129 4.769 4.640 -0.001 0.000 0.239 403 D C 0.949 177.424 176.300 0.292 0.000 1.104 403 D CA -0.302 53.817 54.000 0.199 0.000 0.840 403 D CB 2.063 42.985 40.800 0.203 0.000 1.100 403 D HN 0.553 nan 8.370 nan 0.000 0.477 404 E N 3.023 123.376 120.200 0.256 0.000 2.153 404 E HA -0.223 4.127 4.350 -0.001 0.000 0.194 404 E C 1.273 177.980 176.600 0.178 0.000 0.988 404 E CA 1.072 57.596 56.400 0.207 0.000 0.811 404 E CB 0.297 30.047 29.700 0.084 0.000 0.746 404 E HN 0.650 nan 8.360 nan 0.000 0.466 405 E N -0.573 119.717 120.200 0.151 0.000 2.076 405 E HA -0.112 4.237 4.350 -0.001 0.000 0.190 405 E C 1.885 178.556 176.600 0.117 0.000 0.979 405 E CA 1.632 58.102 56.400 0.117 0.000 0.807 405 E CB 0.103 29.861 29.700 0.097 0.000 0.761 405 E HN 0.350 nan 8.360 nan 0.000 0.454 406 T N -2.696 111.938 114.554 0.132 0.000 3.037 406 T HA 0.047 4.396 4.350 -0.001 0.000 0.251 406 T C 0.713 175.473 174.700 0.099 0.000 1.079 406 T CA 0.731 62.894 62.100 0.106 0.000 1.067 406 T CB 0.207 69.140 68.868 0.108 0.000 0.948 406 T HN 0.250 nan 8.240 nan 0.000 0.496 407 D N -0.754 119.728 120.400 0.137 0.000 3.028 407 D HA -0.151 4.489 4.640 -0.001 0.000 0.207 407 D C -0.250 176.031 176.300 -0.031 0.000 1.100 407 D CA 0.536 54.605 54.000 0.115 0.000 0.995 407 D CB -1.829 39.057 40.800 0.144 0.000 1.108 407 D HN 0.545 nan 8.370 nan 0.000 0.421 408 L N 0.681 121.894 121.223 -0.016 0.000 2.453 408 L HA 0.389 4.729 4.340 -0.001 0.000 0.272 408 L C -0.086 176.687 176.870 -0.162 0.000 1.182 408 L CA -0.269 54.528 54.840 -0.071 0.000 0.858 408 L CB 0.546 42.588 42.059 -0.028 0.000 1.120 408 L HN 0.222 nan 8.230 nan 0.000 0.474 409 L N 5.515 126.628 121.223 -0.184 0.000 2.410 409 L HA 0.190 4.529 4.340 -0.001 0.000 0.273 409 L C 0.321 177.072 176.870 -0.199 0.000 1.152 409 L CA 0.698 55.407 54.840 -0.218 0.000 0.855 409 L CB 0.576 42.519 42.059 -0.193 0.000 1.129 409 L HN 0.804 nan 8.230 nan 0.000 0.463 410 L N 4.005 125.106 121.223 -0.203 0.000 2.547 410 L HA 0.523 4.863 4.340 -0.001 0.000 0.218 410 L C 0.849 177.640 176.870 -0.132 0.000 1.048 410 L CA 0.294 55.007 54.840 -0.212 0.000 0.859 410 L CB 0.135 42.015 42.059 -0.299 0.000 1.128 410 L HN 0.773 nan 8.230 nan 0.000 0.483 411 G N -0.411 108.319 108.800 -0.117 0.000 2.673 411 G HA2 0.566 4.525 3.960 -0.001 0.000 0.292 411 G HA3 0.566 4.525 3.960 -0.001 0.000 0.292 411 G C -1.991 172.734 174.900 -0.292 0.000 1.450 411 G CA -0.316 44.672 45.100 -0.187 0.000 0.837 411 G HN -0.278 nan 8.290 nan 0.000 0.505 412 V N 0.324 119.847 119.914 -0.653 0.000 2.733 412 V HA 0.703 4.822 4.120 -0.001 0.000 0.306 412 V C -1.370 174.139 176.094 -0.975 0.000 1.084 412 V CA -0.684 61.293 62.300 -0.538 0.000 0.905 412 V CB 1.603 33.218 31.823 -0.347 0.000 1.010 412 V HN 0.638 nan 8.190 nan 0.000 0.424 413 F N 4.463 124.322 119.950 -0.152 0.000 2.547 413 F HA 0.754 5.281 4.527 -0.000 0.000 0.316 413 F C -0.169 175.458 175.800 -0.288 0.000 1.121 413 F CA -0.631 57.204 58.000 -0.276 0.000 0.911 413 F CB 1.902 40.828 39.000 -0.122 0.000 1.179 413 F HN 0.211 nan 8.300 nan 0.000 0.443 414 I N 3.350 123.711 120.570 -0.348 0.000 2.582 414 I HA 0.607 4.777 4.170 -0.001 0.000 0.292 414 I C -1.368 174.559 176.117 -0.316 0.000 1.066 414 I CA -1.180 59.963 61.300 -0.261 0.000 1.053 414 I CB 2.364 40.221 38.000 -0.238 0.000 1.241 414 I HN 0.340 nan 8.210 nan 0.000 0.421 415 V N 5.228 125.078 119.914 -0.106 0.000 2.525 415 V HA 1.006 5.125 4.120 -0.001 0.000 0.299 415 V C -0.232 175.871 176.094 0.016 0.000 1.034 415 V CA 0.402 62.702 62.300 -0.000 0.000 0.863 415 V CB 1.226 33.130 31.823 0.135 0.000 0.999 415 V HN 1.068 nan 8.190 nan 0.000 0.423 416 G N 6.535 115.348 108.800 0.021 0.000 2.369 416 G HA2 0.244 4.203 3.960 -0.001 0.000 0.293 416 G HA3 0.244 4.203 3.960 -0.001 0.000 0.293 416 G C -3.489 171.418 174.900 0.012 0.000 1.301 416 G CA -0.313 44.801 45.100 0.023 0.000 0.913 416 G HN 0.675 nan 8.290 nan 0.000 0.540 417 P HA 0.212 nan 4.420 nan 0.000 0.271 417 P C -0.211 177.084 177.300 -0.008 0.000 1.216 417 P CA 0.686 63.793 63.100 0.011 0.000 0.776 417 P CB 1.161 32.870 31.700 0.014 0.000 0.881 418 Q N 0.243 120.035 119.800 -0.012 0.000 2.452 418 Q HA -0.271 4.068 4.340 -0.001 0.000 0.248 418 Q C 1.367 177.327 176.000 -0.067 0.000 0.874 418 Q CA 1.393 57.179 55.803 -0.029 0.000 1.208 418 Q CB -2.797 25.930 28.738 -0.018 0.000 1.569 418 Q HN 0.712 nan 8.270 nan 0.000 0.579 419 A N 0.098 122.866 122.820 -0.086 0.000 1.948 419 A HA -0.052 4.267 4.320 -0.001 0.000 0.220 419 A C 2.194 179.672 177.584 -0.177 0.000 1.177 419 A CA 2.201 54.157 52.037 -0.135 0.000 0.636 419 A CB -0.813 18.095 19.000 -0.154 0.000 0.815 419 A HN 0.615 nan 8.150 nan 0.000 0.449 420 G N -0.975 107.702 108.800 -0.205 0.000 2.443 420 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.219 420 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.219 420 G C 1.375 176.184 174.900 -0.152 0.000 1.131 420 G CA 0.901 45.855 45.100 -0.245 0.000 0.775 420 G HN 0.523 nan 8.290 nan 0.000 0.547 421 E N 0.300 120.438 120.200 -0.104 0.000 2.140 421 E HA 0.088 4.438 4.350 -0.001 0.000 0.191 421 E C 2.656 179.210 176.600 -0.077 0.000 0.973 421 E CA 0.136 56.495 56.400 -0.068 0.000 0.829 421 E CB -0.174 29.504 29.700 -0.037 0.000 0.781 421 E HN 0.433 nan 8.360 nan 0.000 0.466 422 L N 0.457 121.629 121.223 -0.085 0.000 2.217 422 L HA -0.075 4.264 4.340 -0.001 0.000 0.211 422 L C 2.422 179.228 176.870 -0.108 0.000 1.107 422 L CA 0.275 55.068 54.840 -0.079 0.000 0.783 422 L CB -0.316 41.699 42.059 -0.075 0.000 0.919 422 L HN 0.057 nan 8.230 nan 0.000 0.442 423 I N 0.643 121.125 120.570 -0.147 0.000 2.454 423 I HA -0.217 3.952 4.170 -0.001 0.000 0.254 423 I C 2.549 178.579 176.117 -0.145 0.000 1.156 423 I CA 1.053 62.247 61.300 -0.177 0.000 1.433 423 I CB -0.303 37.566 38.000 -0.220 0.000 1.082 423 I HN 0.134 nan 8.210 nan 0.000 0.432 424 A N -0.412 122.335 122.820 -0.122 0.000 1.940 424 A HA -0.284 4.036 4.320 -0.001 0.000 0.219 424 A C 2.374 179.905 177.584 -0.089 0.000 1.176 424 A CA 1.958 53.932 52.037 -0.105 0.000 0.631 424 A CB -0.761 18.185 19.000 -0.089 0.000 0.814 424 A HN 0.571 nan 8.150 nan 0.000 0.446 425 E N -0.185 119.968 120.200 -0.079 0.000 2.077 425 E HA -0.150 4.199 4.350 -0.001 0.000 0.193 425 E C 2.144 178.700 176.600 -0.073 0.000 0.989 425 E CA 1.029 57.391 56.400 -0.063 0.000 0.800 425 E CB -0.236 29.445 29.700 -0.031 0.000 0.746 425 E HN 0.557 nan 8.360 nan 0.000 0.452 426 A N 1.159 123.919 122.820 -0.099 0.000 1.898 426 A HA -0.078 4.242 4.320 -0.001 0.000 0.216 426 A C 2.380 179.894 177.584 -0.117 0.000 1.181 426 A CA 1.703 53.665 52.037 -0.125 0.000 0.620 426 A CB -0.689 18.202 19.000 -0.181 0.000 0.819 426 A HN 0.405 nan 8.150 nan 0.000 0.442 427 A N -0.377 122.378 122.820 -0.109 0.000 1.877 427 A HA -0.060 4.260 4.320 -0.001 0.000 0.216 427 A C 2.143 179.690 177.584 -0.062 0.000 1.186 427 A CA 1.792 53.779 52.037 -0.083 0.000 0.620 427 A CB -0.655 18.299 19.000 -0.077 0.000 0.822 427 A HN 0.729 nan 8.150 nan 0.000 0.443 428 L N -0.199 120.986 121.223 -0.063 0.000 2.046 428 L HA -0.050 4.290 4.340 -0.001 0.000 0.208 428 L C 2.663 179.503 176.870 -0.050 0.000 1.077 428 L CA 2.211 57.021 54.840 -0.050 0.000 0.747 428 L CB -0.918 41.109 42.059 -0.053 0.000 0.896 428 L HN 0.353 nan 8.230 nan 0.000 0.432 429 A N -0.282 122.502 122.820 -0.061 0.000 1.892 429 A HA -0.224 4.095 4.320 -0.001 0.000 0.218 429 A C 2.283 179.827 177.584 -0.065 0.000 1.188 429 A CA 2.304 54.303 52.037 -0.064 0.000 0.631 429 A CB -1.041 17.913 19.000 -0.076 0.000 0.822 429 A HN 0.524 nan 8.150 nan 0.000 0.447 430 L N -0.775 120.404 121.223 -0.073 0.000 2.046 430 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 430 L C 2.665 179.509 176.870 -0.043 0.000 1.077 430 L CA 1.312 56.112 54.840 -0.067 0.000 0.747 430 L CB -0.636 41.380 42.059 -0.072 0.000 0.896 430 L HN 0.353 nan 8.230 nan 0.000 0.432 431 E N -0.097 120.085 120.200 -0.031 0.000 2.118 431 E HA -0.186 4.164 4.350 -0.001 0.000 0.195 431 E C 1.985 178.573 176.600 -0.019 0.000 0.992 431 E CA 1.140 57.532 56.400 -0.013 0.000 0.804 431 E CB -0.113 29.593 29.700 0.011 0.000 0.741 431 E HN 0.423 nan 8.360 nan 0.000 0.458 432 M N -0.752 118.832 119.600 -0.027 0.000 2.561 432 M HA 0.142 4.622 4.480 -0.001 0.000 0.238 432 M C 0.847 177.130 176.300 -0.028 0.000 1.131 432 M CA 0.409 55.694 55.300 -0.026 0.000 1.046 432 M CB -0.418 32.164 32.600 -0.029 0.000 1.532 432 M HN 0.124 nan 8.290 nan 0.000 0.497 433 G N 1.749 110.529 108.800 -0.033 0.000 2.295 433 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.287 433 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.287 433 G C 0.339 175.217 174.900 -0.038 0.000 1.055 433 G CA 0.306 45.387 45.100 -0.032 0.000 0.922 433 G HN 0.785 nan 8.290 nan 0.000 0.503 434 A N -0.103 122.687 122.820 -0.051 0.000 2.386 434 A HA 0.789 5.109 4.320 -0.001 0.000 0.248 434 A C 1.080 178.621 177.584 -0.073 0.000 1.082 434 A CA 0.982 52.986 52.037 -0.055 0.000 0.789 434 A CB 0.383 19.347 19.000 -0.060 0.000 1.025 434 A HN 1.809 nan 8.150 nan 0.000 0.490 435 T N -0.469 114.046 114.554 -0.065 0.000 2.923 435 T HA 0.455 4.804 4.350 -0.001 0.000 0.281 435 T C 1.037 175.663 174.700 -0.124 0.000 0.995 435 T CA -0.853 61.199 62.100 -0.082 0.000 0.985 435 T CB 0.495 69.346 68.868 -0.028 0.000 1.114 435 T HN 0.289 nan 8.240 nan 0.000 0.548 436 L N 0.510 121.606 121.223 -0.211 0.000 2.141 436 L HA -0.041 4.298 4.340 -0.001 0.000 0.209 436 L C 2.769 179.618 176.870 -0.034 0.000 1.094 436 L CA 1.718 56.369 54.840 -0.315 0.000 0.763 436 L CB -1.909 39.636 42.059 -0.857 0.000 0.908 436 L HN 0.874 nan 8.230 nan 0.000 0.437 437 T N -0.833 113.796 114.554 0.125 0.000 2.821 437 T HA -0.142 4.208 4.350 -0.001 0.000 0.267 437 T C 1.489 176.216 174.700 0.046 0.000 1.046 437 T CA 1.118 63.303 62.100 0.143 0.000 1.139 437 T CB -0.053 68.851 68.868 0.060 0.000 0.871 437 T HN 0.282 nan 8.240 nan 0.000 0.454 438 D N 0.983 121.387 120.400 0.008 0.000 2.117 438 D HA -0.047 4.592 4.640 -0.001 0.000 0.197 438 D C 2.064 178.366 176.300 0.004 0.000 0.987 438 D CA 0.677 54.674 54.000 -0.004 0.000 0.829 438 D CB -0.374 40.413 40.800 -0.022 0.000 0.961 438 D HN 0.178 nan 8.370 nan 0.000 0.460 439 L N 1.033 122.248 121.223 -0.014 0.000 2.046 439 L HA -0.070 4.269 4.340 -0.001 0.000 0.208 439 L C 2.138 179.035 176.870 0.046 0.000 1.077 439 L CA 1.757 56.601 54.840 0.006 0.000 0.747 439 L CB -0.761 41.260 42.059 -0.064 0.000 0.896 439 L HN -0.042 nan 8.230 nan 0.000 0.432 440 A N -1.016 121.813 122.820 0.015 0.000 1.969 440 A HA -0.073 4.246 4.320 -0.001 0.000 0.218 440 A C 2.154 179.769 177.584 0.051 0.000 1.169 440 A CA 1.477 53.527 52.037 0.022 0.000 0.635 440 A CB -0.699 18.338 19.000 0.062 0.000 0.810 440 A HN 0.485 nan 8.150 nan 0.000 0.445 441 L N -0.155 121.098 121.223 0.050 0.000 2.492 441 L HA 0.011 4.351 4.340 -0.001 0.000 0.223 441 L C 0.372 177.268 176.870 0.043 0.000 1.132 441 L CA 0.096 54.959 54.840 0.039 0.000 0.850 441 L CB -0.535 41.536 42.059 0.019 0.000 0.966 441 L HN 0.151 nan 8.230 nan 0.000 0.454 442 T N 0.986 115.581 114.554 0.068 0.000 2.870 442 T HA 0.136 4.485 4.350 -0.001 0.000 0.300 442 T C 0.274 175.017 174.700 0.073 0.000 0.989 442 T CA -0.162 61.948 62.100 0.016 0.000 1.139 442 T CB 1.731 70.569 68.868 -0.051 0.000 0.920 442 T HN -0.208 nan 8.240 nan 0.000 0.537 443 V N 5.925 125.837 119.914 -0.002 0.000 2.370 443 V HA 0.114 4.234 4.120 -0.001 0.000 0.257 443 V C 0.232 176.320 176.094 -0.010 0.000 1.064 443 V CA -0.450 61.873 62.300 0.038 0.000 0.975 443 V CB -0.838 30.991 31.823 0.009 0.000 1.067 443 V HN 0.791 nan 8.190 nan 0.000 0.485 444 H N 5.392 124.454 119.070 -0.014 0.000 2.582 444 H HA 0.384 4.939 4.556 -0.001 0.000 0.345 444 H C -2.108 173.227 175.328 0.012 0.000 1.104 444 H CA -1.739 54.302 56.048 -0.012 0.000 1.390 444 H CB 0.357 30.103 29.762 -0.026 0.000 1.461 444 H HN 0.455 nan 8.280 nan 0.000 0.551 445 P HA 0.064 nan 4.420 nan 0.000 0.269 445 P C -0.777 176.589 177.300 0.109 0.000 1.209 445 P CA 0.094 63.239 63.100 0.074 0.000 0.776 445 P CB 0.468 32.183 31.700 0.024 0.000 0.876 446 H N 2.263 121.345 119.070 0.020 0.000 2.529 446 H HA 0.522 5.077 4.556 -0.001 0.000 0.348 446 H C -2.301 173.030 175.328 0.005 0.000 1.079 446 H CA -1.841 54.214 56.048 0.012 0.000 1.198 446 H CB 0.975 30.750 29.762 0.021 0.000 1.521 446 H HN 0.301 nan 8.280 nan 0.000 0.514 447 P HA 0.302 nan 4.420 nan 0.000 0.301 447 P C -1.313 175.833 177.300 -0.258 0.000 1.338 447 P CA -0.567 62.113 63.100 -0.701 0.000 0.834 447 P CB 1.735 33.006 31.700 -0.715 0.000 0.967 448 T N -1.123 113.337 114.554 -0.156 0.000 2.843 448 T HA 0.361 4.710 4.350 -0.001 0.000 0.302 448 T C 1.023 175.701 174.700 -0.037 0.000 1.232 448 T CA -0.893 61.167 62.100 -0.067 0.000 1.009 448 T CB 0.836 69.693 68.868 -0.018 0.000 1.254 448 T HN 0.103 nan 8.240 nan 0.000 0.504 449 L N 1.336 122.548 121.223 -0.019 0.000 2.217 449 L HA 0.004 4.344 4.340 -0.001 0.000 0.211 449 L C 3.048 179.916 176.870 -0.003 0.000 1.107 449 L CA 1.327 56.165 54.840 -0.002 0.000 0.783 449 L CB -0.590 41.468 42.059 -0.003 0.000 0.919 449 L HN 0.951 nan 8.230 nan 0.000 0.442 450 S N -0.281 115.425 115.700 0.010 0.000 2.419 450 S HA -0.236 4.234 4.470 -0.001 0.000 0.235 450 S C 1.646 176.224 174.600 -0.036 0.000 1.019 450 S CA 1.231 59.456 58.200 0.042 0.000 0.982 450 S CB -0.397 62.885 63.200 0.137 0.000 0.789 450 S HN 0.496 nan 8.310 nan 0.000 0.490 451 E N 1.134 121.297 120.200 -0.062 0.000 2.209 451 E HA -0.092 4.258 4.350 -0.001 0.000 0.196 451 E C 2.017 178.408 176.600 -0.349 0.000 0.993 451 E CA 1.149 57.427 56.400 -0.204 0.000 0.819 451 E CB -0.286 29.367 29.700 -0.078 0.000 0.745 451 E HN 0.611 nan 8.360 nan 0.000 0.477 452 S N 0.590 116.168 115.700 -0.203 0.000 2.419 452 S HA -0.127 4.343 4.470 -0.001 0.000 0.233 452 S C 1.762 176.241 174.600 -0.202 0.000 1.016 452 S CA 0.698 58.806 58.200 -0.153 0.000 0.974 452 S CB -0.017 63.264 63.200 0.136 0.000 0.786 452 S HN 0.110 nan 8.310 nan 0.000 0.492 453 L N 0.873 121.953 121.223 -0.238 0.000 2.072 453 L HA 0.105 4.444 4.340 -0.001 0.000 0.205 453 L C 2.347 179.026 176.870 -0.318 0.000 1.079 453 L CA 1.376 56.083 54.840 -0.222 0.000 0.752 453 L CB -0.630 41.331 42.059 -0.164 0.000 0.906 453 L HN 0.329 nan 8.230 nan 0.000 0.436 454 M N -0.842 118.413 119.600 -0.574 0.000 2.086 454 M HA -0.213 4.267 4.480 -0.001 0.000 0.261 454 M C 2.120 178.226 176.300 -0.322 0.000 1.067 454 M CA 1.732 56.730 55.300 -0.504 0.000 1.116 454 M CB -0.062 32.111 32.600 -0.710 0.000 1.348 454 M HN 0.214 nan 8.290 nan 0.000 0.407 455 E N 0.184 120.120 120.200 -0.439 0.000 2.152 455 E HA -0.106 4.243 4.350 -0.001 0.000 0.192 455 E C 1.967 178.432 176.600 -0.226 0.000 0.983 455 E CA 1.206 57.325 56.400 -0.468 0.000 0.818 455 E CB -0.170 28.809 29.700 -1.201 0.000 0.758 455 E HN 0.657 nan 8.360 nan 0.000 0.467 456 A N 1.426 124.155 122.820 -0.151 0.000 1.969 456 A HA -0.040 4.280 4.320 -0.001 0.000 0.218 456 A C 2.384 179.971 177.584 0.005 0.000 1.169 456 A CA 1.621 53.677 52.037 0.032 0.000 0.635 456 A CB -0.346 18.679 19.000 0.041 0.000 0.810 456 A HN 0.255 nan 8.150 nan 0.000 0.445 457 A N -0.353 122.417 122.820 -0.082 0.000 1.898 457 A HA -0.116 4.203 4.320 -0.001 0.000 0.216 457 A C 1.948 179.495 177.584 -0.062 0.000 1.181 457 A CA 1.494 53.457 52.037 -0.124 0.000 0.620 457 A CB -0.399 18.512 19.000 -0.148 0.000 0.819 457 A HN 0.460 nan 8.150 nan 0.000 0.442 458 E N 0.001 120.197 120.200 -0.006 0.000 2.110 458 E HA -0.156 4.194 4.350 -0.001 0.000 0.193 458 E C 2.310 178.973 176.600 0.105 0.000 0.988 458 E CA 1.188 57.633 56.400 0.076 0.000 0.804 458 E CB -0.449 29.265 29.700 0.025 0.000 0.745 458 E HN 0.582 nan 8.360 nan 0.000 0.458 459 A N 0.832 123.706 122.820 0.091 0.000 1.972 459 A HA -0.165 4.154 4.320 -0.001 0.000 0.219 459 A C 2.002 179.647 177.584 0.102 0.000 1.169 459 A CA 0.981 53.086 52.037 0.113 0.000 0.635 459 A CB -0.771 18.318 19.000 0.148 0.000 0.810 459 A HN 0.291 nan 8.150 nan 0.000 0.446 460 F N 0.566 120.455 119.950 -0.100 0.000 2.202 460 F HA -0.194 4.333 4.527 -0.001 0.000 0.301 460 F C 1.803 177.519 175.800 -0.140 0.000 1.082 460 F CA 2.058 59.957 58.000 -0.169 0.000 1.313 460 F CB -0.324 38.486 39.000 -0.318 0.000 1.024 460 F HN 0.447 nan 8.300 nan 0.000 0.495 461 H N 0.435 119.661 119.070 0.261 0.000 2.538 461 H HA 0.151 4.707 4.556 -0.001 0.000 0.286 461 H C 0.200 175.561 175.328 0.054 0.000 1.035 461 H CA -0.188 55.950 56.048 0.149 0.000 1.169 461 H CB 0.072 29.933 29.762 0.165 0.000 1.417 461 H HN -0.095 nan 8.280 nan 0.000 0.567 462 K N 0.796 121.266 120.400 0.116 0.000 3.088 462 K HA -0.247 4.073 4.320 -0.001 0.000 0.273 462 K C 0.027 176.673 176.600 0.075 0.000 1.111 462 K CA 1.105 57.433 56.287 0.068 0.000 0.803 462 K CB -2.015 30.507 32.500 0.037 0.000 1.226 462 K HN 0.775 nan 8.250 nan 0.000 0.485 463 Q N -1.853 118.005 119.800 0.097 0.000 2.088 463 Q HA 0.533 4.873 4.340 -0.001 0.000 0.270 463 Q C 0.073 176.106 176.000 0.056 0.000 0.854 463 Q CA -0.017 55.827 55.803 0.068 0.000 1.104 463 Q CB 0.926 29.704 28.738 0.066 0.000 1.251 463 Q HN 0.242 nan 8.270 nan 0.000 0.436 464 A N 0.996 123.859 122.820 0.072 0.000 2.483 464 A HA 0.241 4.561 4.320 -0.001 0.000 0.238 464 A C 0.845 178.454 177.584 0.042 0.000 1.070 464 A CA -0.254 51.827 52.037 0.072 0.000 0.770 464 A CB 0.212 19.309 19.000 0.161 0.000 1.008 464 A HN 0.467 nan 8.150 nan 0.000 0.497 465 I N 0.682 121.243 120.570 -0.016 0.000 2.429 465 I HA -0.057 4.113 4.170 -0.001 0.000 0.247 465 I C 1.557 177.594 176.117 -0.133 0.000 1.099 465 I CA 1.503 62.723 61.300 -0.132 0.000 1.422 465 I CB -1.602 36.219 38.000 -0.299 0.000 1.112 465 I HN 0.830 nan 8.210 nan 0.000 0.430 466 H N 1.375 120.543 119.070 0.162 0.000 2.553 466 H HA 0.260 4.815 4.556 -0.001 0.000 0.269 466 H C 0.213 175.659 175.328 0.196 0.000 1.011 466 H CA 0.143 56.319 56.048 0.214 0.000 1.150 466 H CB -0.180 29.778 29.762 0.326 0.000 1.339 466 H HN 0.324 nan 8.280 nan 0.000 0.604 467 I N -3.401 117.312 120.570 0.238 0.000 2.913 467 I HA 0.295 4.464 4.170 -0.001 0.000 0.302 467 I C -1.007 175.164 176.117 0.089 0.000 1.246 467 I CA -1.374 60.006 61.300 0.134 0.000 1.010 467 I CB 2.187 40.252 38.000 0.108 0.000 1.259 467 I HN -0.200 nan 8.210 nan 0.000 0.434 468 L N 3.771 125.025 121.223 0.052 0.000 2.439 468 L HA 0.345 4.684 4.340 -0.001 0.000 0.269 468 L C 0.359 177.253 176.870 0.041 0.000 1.179 468 L CA -0.072 54.790 54.840 0.037 0.000 0.828 468 L CB 0.131 42.204 42.059 0.023 0.000 1.106 468 L HN 0.658 nan 8.230 nan 0.000 0.467 469 N N 0.000 118.721 118.700 0.035 0.000 1.763 469 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 469 N CA 0.000 53.071 53.050 0.034 0.000 0.885 469 N CB 0.000 38.510 38.487 0.038 0.000 1.341 469 N HN 0.000 nan 8.380 nan 0.000 0.667