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 1crk_1_D DATA FIRST_RESID 1 DATA SEQUENCE TVHEKRKLFP PSADYPDLRK HNNCMAECLT PAIYAKLRDK LTPNGYSLDQ DATA SEQUENCE CIQTGVDNPG HPFIKTVGMV AGDEESYEVF AEIFDPVIKA RHNGYDPRTM DATA SEQUENCE KHHTDLDASK ITHGQFDERY VLSSRVRTGR SIRGLSLPPA CSRAERREVE DATA SEQUENCE NVVVTALAGL KGDLSGKYYS LTNMSERDQQ QLIDDHFLFD KPVSPLLTCA DATA SEQUENCE GMARDWPDAR GIWHNNDKTF LVWINEEDHT RVISMEKGGN MKRVFERFCR DATA SEQUENCE GLKEVERLIK ERGWEFMWNE RLGYVLTCPS NLGTGLRAGV HVKLPRLSKD DATA SEQUENCE PRFPKILENL RLQKRGTGGV DTAAVADVYD ISNLDRMGRS EVELVQIVID DATA SEQUENCE GVNYLVDCEK KLEKGQDIKV PPPLPQFGRK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.639 174.700 -0.102 0.000 1.109 1 T CA 0.000 62.069 62.100 -0.051 0.000 1.349 1 T CB 0.000 68.795 68.868 -0.122 0.000 0.612 2 V N 3.831 123.645 119.914 -0.165 0.000 2.614 2 V HA 0.470 4.591 4.120 0.001 0.000 0.291 2 V C -0.074 175.852 176.094 -0.281 0.000 1.049 2 V CA -0.042 62.188 62.300 -0.117 0.000 1.038 2 V CB 0.610 32.398 31.823 -0.058 0.000 0.980 2 V HN 0.904 nan 8.190 nan 0.000 0.481 3 H N 1.355 120.435 119.070 0.017 0.000 2.690 3 H HA 0.438 4.994 4.556 0.001 0.000 0.368 3 H C -0.218 175.125 175.328 0.025 0.000 1.150 3 H CA -0.732 55.328 56.048 0.020 0.000 1.174 3 H CB 1.503 31.274 29.762 0.014 0.000 1.684 3 H HN 0.582 nan 8.280 nan 0.000 0.538 4 E N 1.697 121.989 120.200 0.152 0.000 2.390 4 E HA 0.015 4.366 4.350 0.001 0.000 0.261 4 E C 0.552 177.206 176.600 0.089 0.000 1.076 4 E CA -0.149 56.307 56.400 0.095 0.000 0.905 4 E CB 0.865 30.606 29.700 0.069 0.000 0.984 4 E HN 0.605 nan 8.360 nan 0.000 0.427 5 K N 2.047 122.487 120.400 0.065 0.000 2.283 5 K HA -0.108 4.213 4.320 0.001 0.000 0.202 5 K C 1.479 178.114 176.600 0.059 0.000 1.048 5 K CA 0.406 56.726 56.287 0.055 0.000 0.948 5 K CB 0.027 32.555 32.500 0.047 0.000 0.742 5 K HN 0.287 nan 8.250 nan 0.000 0.458 6 R N 1.489 122.026 120.500 0.061 0.000 2.425 6 R HA -0.042 4.299 4.340 0.001 0.000 0.206 6 R C 0.795 177.144 176.300 0.082 0.000 1.117 6 R CA 0.287 56.428 56.100 0.069 0.000 1.098 6 R CB 0.061 30.389 30.300 0.046 0.000 0.843 6 R HN -0.061 nan 8.270 nan 0.000 0.480 7 K N 0.594 121.035 120.400 0.068 0.000 2.675 7 K HA -0.137 4.184 4.320 0.001 0.000 0.194 7 K C 1.383 178.020 176.600 0.061 0.000 1.029 7 K CA 0.338 56.658 56.287 0.055 0.000 0.980 7 K CB -0.156 32.359 32.500 0.024 0.000 0.803 7 K HN 0.189 nan 8.250 nan 0.000 0.493 8 L N -0.566 120.724 121.223 0.112 0.000 2.044 8 L HA 0.065 4.406 4.340 0.001 0.000 0.205 8 L C 0.336 177.255 176.870 0.082 0.000 1.075 8 L CA 1.636 56.546 54.840 0.117 0.000 0.747 8 L CB -0.043 42.159 42.059 0.239 0.000 0.903 8 L HN -0.083 nan 8.230 nan 0.000 0.435 9 F N -0.775 119.188 119.950 0.022 0.000 2.575 9 F HA 0.515 5.043 4.527 0.001 0.000 0.330 9 F C -1.917 173.900 175.800 0.029 0.000 1.056 9 F CA -2.691 55.324 58.000 0.024 0.000 0.964 9 F CB -0.024 38.995 39.000 0.031 0.000 1.258 9 F HN -0.208 nan 8.300 nan 0.000 0.484 10 P HA 0.047 nan 4.420 nan 0.000 0.263 10 P C -2.017 175.382 177.300 0.165 0.000 1.195 10 P CA -0.846 62.339 63.100 0.142 0.000 0.762 10 P CB 0.094 31.859 31.700 0.109 0.000 0.799 11 P HA -0.219 nan 4.420 nan 0.000 0.217 11 P C 1.208 178.666 177.300 0.263 0.000 1.151 11 P CA 1.590 64.789 63.100 0.164 0.000 0.849 11 P CB -0.132 31.612 31.700 0.074 0.000 0.787 12 S N 0.060 115.871 115.700 0.185 0.000 2.400 12 S HA -0.102 4.369 4.470 0.001 0.000 0.232 12 S C 2.124 176.804 174.600 0.132 0.000 1.025 12 S CA 1.243 59.533 58.200 0.150 0.000 0.993 12 S CB -0.915 62.311 63.200 0.043 0.000 0.808 12 S HN 0.239 nan 8.310 nan 0.000 0.478 13 A N 0.932 123.827 122.820 0.124 0.000 2.125 13 A HA -0.111 4.210 4.320 0.001 0.000 0.219 13 A C 1.497 179.099 177.584 0.030 0.000 1.156 13 A CA 1.275 53.357 52.037 0.075 0.000 0.671 13 A CB -0.215 18.857 19.000 0.120 0.000 0.794 13 A HN 0.293 nan 8.150 nan 0.000 0.459 14 D N -2.357 118.113 120.400 0.117 0.000 2.368 14 D HA 0.127 4.767 4.640 0.001 0.000 0.218 14 D C -0.529 175.771 176.300 -0.001 0.000 1.112 14 D CA -0.193 53.866 54.000 0.098 0.000 0.834 14 D CB -0.070 40.866 40.800 0.227 0.000 0.953 14 D HN 0.462 nan 8.370 nan 0.000 0.505 15 Y N 3.127 123.298 120.300 -0.215 0.000 2.442 15 Y HA 0.184 4.734 4.550 0.001 0.000 0.330 15 Y C -1.783 173.855 175.900 -0.437 0.000 1.129 15 Y CA -1.766 56.009 58.100 -0.540 0.000 1.365 15 Y CB 0.491 38.768 38.460 -0.305 0.000 1.233 15 Y HN -0.047 nan 8.280 nan 0.000 0.529 16 P HA 0.024 nan 4.420 nan 0.000 0.272 16 P C -1.101 175.913 177.300 -0.476 0.000 1.223 16 P CA -0.270 62.457 63.100 -0.622 0.000 0.784 16 P CB 0.828 32.117 31.700 -0.685 0.000 0.923 17 D N 2.149 122.372 120.400 -0.294 0.000 2.453 17 D HA 0.109 4.749 4.640 0.001 0.000 0.223 17 D C 0.273 176.398 176.300 -0.291 0.000 1.183 17 D CA -0.082 53.805 54.000 -0.188 0.000 0.933 17 D CB -0.550 40.192 40.800 -0.096 0.000 1.038 17 D HN 0.226 nan 8.370 nan 0.000 0.513 18 L N 3.704 124.733 121.223 -0.325 0.000 2.848 18 L HA 0.288 4.629 4.340 0.001 0.000 0.240 18 L C 2.133 178.960 176.870 -0.072 0.000 1.232 18 L CA -0.331 54.239 54.840 -0.449 0.000 1.031 18 L CB 0.087 41.883 42.059 -0.438 0.000 1.338 18 L HN 0.200 nan 8.230 nan 0.000 0.509 19 R N 0.724 121.227 120.500 0.005 0.000 2.096 19 R HA -0.105 4.236 4.340 0.001 0.000 0.235 19 R C 1.132 177.478 176.300 0.076 0.000 1.127 19 R CA 1.182 57.305 56.100 0.039 0.000 0.968 19 R CB 0.008 30.322 30.300 0.023 0.000 0.861 19 R HN 0.302 nan 8.270 nan 0.000 0.440 20 K N -0.002 120.489 120.400 0.150 0.000 2.493 20 K HA 0.102 4.423 4.320 0.001 0.000 0.207 20 K C -0.681 175.926 176.600 0.011 0.000 1.033 20 K CA -0.109 56.216 56.287 0.063 0.000 1.161 20 K CB 0.493 33.001 32.500 0.014 0.000 0.873 20 K HN 0.138 nan 8.250 nan 0.000 0.491 21 H N 1.188 120.224 119.070 -0.058 0.000 2.467 21 H HA 0.231 4.788 4.556 0.001 0.000 0.331 21 H C -0.170 175.121 175.328 -0.061 0.000 1.120 21 H CA -0.720 55.291 56.048 -0.060 0.000 1.270 21 H CB 0.813 30.532 29.762 -0.071 0.000 1.466 21 H HN 0.145 nan 8.280 nan 0.000 0.504 22 N N 2.603 121.297 118.700 -0.011 0.000 2.762 22 N HA 0.161 4.902 4.740 0.001 0.000 0.252 22 N C -1.367 174.139 175.510 -0.006 0.000 1.269 22 N CA -0.755 52.283 53.050 -0.020 0.000 0.799 22 N CB 0.814 39.257 38.487 -0.073 0.000 1.173 22 N HN 0.582 nan 8.380 nan 0.000 0.516 23 N N -1.018 117.694 118.700 0.021 0.000 2.357 23 N HA 0.310 5.051 4.740 0.001 0.000 0.284 23 N C 0.306 175.820 175.510 0.007 0.000 1.236 23 N CA -0.755 52.304 53.050 0.015 0.000 0.774 23 N CB 0.810 39.313 38.487 0.026 0.000 1.534 23 N HN 0.053 nan 8.380 nan 0.000 0.478 24 C N -0.422 118.880 119.300 0.004 0.000 2.411 24 C HA -0.083 4.378 4.460 0.001 0.000 0.279 24 C C 2.490 177.474 174.990 -0.010 0.000 1.288 24 C CA 0.586 59.605 59.018 0.002 0.000 1.764 24 C CB -1.102 26.645 27.740 0.011 0.000 1.974 24 C HN 0.749 nan 8.230 nan 0.000 0.498 25 M N 1.668 121.251 119.600 -0.027 0.000 2.059 25 M HA -0.099 4.381 4.480 0.001 0.000 0.259 25 M C 2.465 178.724 176.300 -0.068 0.000 1.072 25 M CA 2.531 57.791 55.300 -0.067 0.000 1.117 25 M CB -1.271 31.273 32.600 -0.093 0.000 1.320 25 M HN 0.310 nan 8.290 nan 0.000 0.408 26 A N -0.171 122.615 122.820 -0.058 0.000 1.940 26 A HA -0.226 4.095 4.320 0.001 0.000 0.219 26 A C 2.065 179.627 177.584 -0.036 0.000 1.176 26 A CA 2.047 54.041 52.037 -0.072 0.000 0.631 26 A CB -0.964 18.027 19.000 -0.015 0.000 0.814 26 A HN 0.741 nan 8.150 nan 0.000 0.446 27 E N -1.457 118.734 120.200 -0.015 0.000 2.208 27 E HA -0.132 4.219 4.350 0.001 0.000 0.193 27 E C 1.294 177.895 176.600 0.001 0.000 0.988 27 E CA 1.129 57.526 56.400 -0.005 0.000 0.828 27 E CB -0.082 29.616 29.700 -0.004 0.000 0.763 27 E HN 0.632 nan 8.360 nan 0.000 0.478 28 C N -0.057 119.241 119.300 -0.003 0.000 3.188 28 C HA 0.278 4.739 4.460 0.001 0.000 0.315 28 C C 0.588 175.589 174.990 0.019 0.000 1.285 28 C CA -0.786 58.238 59.018 0.011 0.000 1.729 28 C CB -0.281 27.467 27.740 0.014 0.000 2.257 28 C HN 0.275 nan 8.230 nan 0.000 0.645 29 L N 2.611 123.837 121.223 0.004 0.000 2.439 29 L HA 0.434 4.775 4.340 0.001 0.000 0.269 29 L C 0.463 177.404 176.870 0.118 0.000 1.179 29 L CA 1.394 56.256 54.840 0.037 0.000 0.828 29 L CB 0.797 42.829 42.059 -0.045 0.000 1.106 29 L HN 0.393 nan 8.230 nan 0.000 0.467 30 T N 1.081 115.746 114.554 0.184 0.000 2.916 30 T HA 0.483 4.834 4.350 0.001 0.000 0.305 30 T C -2.182 172.641 174.700 0.205 0.000 1.119 30 T CA -1.582 60.622 62.100 0.174 0.000 1.008 30 T CB 1.562 70.480 68.868 0.083 0.000 1.129 30 T HN 0.356 nan 8.240 nan 0.000 0.480 31 P HA -0.180 nan 4.420 nan 0.000 0.218 31 P C 1.636 178.938 177.300 0.004 0.000 1.152 31 P CA 2.010 64.948 63.100 -0.271 0.000 0.857 31 P CB -0.145 31.325 31.700 -0.383 0.000 0.787 32 A N -1.198 121.635 122.820 0.022 0.000 1.873 32 A HA -0.150 4.171 4.320 0.001 0.000 0.215 32 A C 2.216 179.847 177.584 0.078 0.000 1.186 32 A CA 1.342 53.404 52.037 0.042 0.000 0.616 32 A CB -1.477 17.538 19.000 0.025 0.000 0.823 32 A HN 0.108 nan 8.150 nan 0.000 0.442 33 I N -2.041 118.592 120.570 0.106 0.000 2.226 33 I HA -0.255 3.916 4.170 0.001 0.000 0.245 33 I C 2.460 178.647 176.117 0.117 0.000 1.100 33 I CA 1.626 62.989 61.300 0.105 0.000 1.374 33 I CB -0.369 37.696 38.000 0.108 0.000 1.057 33 I HN 0.504 nan 8.210 nan 0.000 0.413 34 Y N 1.608 121.968 120.300 0.099 0.000 2.145 34 Y HA -0.294 4.257 4.550 0.001 0.000 0.286 34 Y C 2.531 178.482 175.900 0.084 0.000 1.145 34 Y CA 1.486 59.650 58.100 0.108 0.000 1.148 34 Y CB -0.458 38.169 38.460 0.278 0.000 0.981 34 Y HN 0.126 nan 8.280 nan 0.000 0.507 35 A N 0.017 122.888 122.820 0.084 0.000 1.933 35 A HA -0.221 4.099 4.320 0.001 0.000 0.218 35 A C 2.289 179.854 177.584 -0.031 0.000 1.175 35 A CA 1.914 53.960 52.037 0.014 0.000 0.628 35 A CB -0.737 18.299 19.000 0.060 0.000 0.814 35 A HN 0.513 nan 8.150 nan 0.000 0.444 36 K N -0.584 119.814 120.400 -0.003 0.000 2.148 36 K HA 0.034 4.355 4.320 0.001 0.000 0.204 36 K C 1.446 178.049 176.600 0.005 0.000 1.050 36 K CA 1.224 57.519 56.287 0.014 0.000 0.942 36 K CB -0.169 32.352 32.500 0.034 0.000 0.724 36 K HN 0.485 nan 8.250 nan 0.000 0.446 37 L N -0.330 120.869 121.223 -0.040 0.000 2.590 37 L HA 0.165 4.506 4.340 0.001 0.000 0.227 37 L C 2.323 179.149 176.870 -0.074 0.000 1.099 37 L CA -0.129 54.715 54.840 0.007 0.000 0.872 37 L CB -0.097 42.000 42.059 0.064 0.000 1.088 37 L HN 0.125 nan 8.230 nan 0.000 0.479 38 R N 1.180 121.522 120.500 -0.262 0.000 2.112 38 R HA -0.196 4.145 4.340 0.001 0.000 0.242 38 R C 0.767 177.004 176.300 -0.106 0.000 1.137 38 R CA 2.165 58.063 56.100 -0.337 0.000 0.944 38 R CB -0.043 30.006 30.300 -0.418 0.000 0.857 38 R HN 0.309 nan 8.270 nan 0.000 0.435 39 D N 0.492 120.885 120.400 -0.012 0.000 2.395 39 D HA 0.030 4.671 4.640 0.001 0.000 0.226 39 D C -0.429 175.905 176.300 0.057 0.000 1.146 39 D CA 0.196 54.236 54.000 0.067 0.000 0.830 39 D CB 0.389 41.275 40.800 0.142 0.000 0.958 39 D HN 0.085 nan 8.370 nan 0.000 0.501 40 K N 1.264 121.692 120.400 0.047 0.000 2.258 40 K HA 0.392 4.713 4.320 0.001 0.000 0.284 40 K C 0.319 176.970 176.600 0.085 0.000 1.051 40 K CA -0.326 55.946 56.287 -0.025 0.000 0.923 40 K CB 2.065 34.570 32.500 0.007 0.000 1.046 40 K HN 0.054 nan 8.250 nan 0.000 0.474 41 L N 1.744 122.954 121.223 -0.021 0.000 2.334 41 L HA 0.371 4.712 4.340 0.001 0.000 0.272 41 L C 0.890 177.735 176.870 -0.041 0.000 1.020 41 L CA -0.966 53.904 54.840 0.050 0.000 0.812 41 L CB 1.748 43.831 42.059 0.041 0.000 1.264 41 L HN 0.660 nan 8.230 nan 0.000 0.439 42 T N -2.019 112.549 114.554 0.024 0.000 2.868 42 T HA 0.184 4.535 4.350 0.001 0.000 0.292 42 T C -1.891 172.816 174.700 0.012 0.000 1.028 42 T CA -1.557 60.526 62.100 -0.028 0.000 1.059 42 T CB 0.900 69.806 68.868 0.064 0.000 0.991 42 T HN 0.353 nan 8.240 nan 0.000 0.531 43 P HA -0.181 nan 4.420 nan 0.000 0.219 43 P C 1.140 178.463 177.300 0.038 0.000 1.153 43 P CA 1.339 64.444 63.100 0.009 0.000 0.865 43 P CB -0.007 31.695 31.700 0.004 0.000 0.788 44 N N -2.875 115.863 118.700 0.063 0.000 2.299 44 N HA 0.097 4.838 4.740 0.001 0.000 0.187 44 N C 1.106 176.683 175.510 0.111 0.000 1.099 44 N CA 1.106 54.206 53.050 0.082 0.000 0.867 44 N CB 0.597 39.136 38.487 0.086 0.000 0.974 44 N HN 0.178 nan 8.380 nan 0.000 0.477 45 G N 0.662 109.539 108.800 0.128 0.000 2.143 45 G HA2 -0.250 3.711 3.960 0.001 0.000 0.175 45 G HA3 -0.250 3.711 3.960 0.001 0.000 0.175 45 G C -0.392 174.627 174.900 0.199 0.000 1.004 45 G CA -0.530 44.651 45.100 0.135 0.000 0.671 45 G HN 0.288 nan 8.290 nan 0.000 0.512 46 Y N 2.680 123.050 120.300 0.117 0.000 2.497 46 Y HA 0.469 5.020 4.550 0.001 0.000 0.334 46 Y C 1.043 177.093 175.900 0.250 0.000 1.199 46 Y CA -0.029 58.166 58.100 0.159 0.000 1.425 46 Y CB 0.995 39.566 38.460 0.185 0.000 1.291 46 Y HN 0.505 nan 8.280 nan 0.000 0.562 47 S N 4.551 120.085 115.700 -0.276 0.000 2.568 47 S HA 0.291 4.762 4.470 0.001 0.000 0.302 47 S C 0.510 174.794 174.600 -0.526 0.000 1.082 47 S CA -0.934 57.161 58.200 -0.176 0.000 1.009 47 S CB 1.669 64.758 63.200 -0.184 0.000 1.069 47 S HN 0.753 nan 8.310 nan 0.000 0.500 48 L N 0.928 121.726 121.223 -0.707 0.000 2.081 48 L HA -0.111 4.229 4.340 0.001 0.000 0.212 48 L C 1.712 178.296 176.870 -0.477 0.000 1.080 48 L CA 2.079 56.362 54.840 -0.928 0.000 0.754 48 L CB -0.832 40.807 42.059 -0.700 0.000 0.893 48 L HN 0.820 nan 8.230 nan 0.000 0.433 49 D N -0.831 119.383 120.400 -0.309 0.000 2.178 49 D HA -0.202 4.439 4.640 0.001 0.000 0.201 49 D C 2.067 178.233 176.300 -0.224 0.000 0.980 49 D CA 1.466 55.361 54.000 -0.175 0.000 0.842 49 D CB 0.067 40.806 40.800 -0.102 0.000 0.948 49 D HN 0.632 nan 8.370 nan 0.000 0.472 50 Q N -0.185 119.400 119.800 -0.359 0.000 2.137 50 Q HA -0.062 4.279 4.340 0.001 0.000 0.198 50 Q C 2.559 178.437 176.000 -0.204 0.000 0.960 50 Q CA 0.621 56.205 55.803 -0.366 0.000 0.847 50 Q CB 0.005 28.269 28.738 -0.791 0.000 0.915 50 Q HN 0.286 nan 8.270 nan 0.000 0.448 51 C N 1.271 120.429 119.300 -0.236 0.000 2.393 51 C HA -0.160 4.301 4.460 0.001 0.000 0.276 51 C C 2.507 177.434 174.990 -0.106 0.000 1.215 51 C CA 1.040 60.032 59.018 -0.044 0.000 1.743 51 C CB -0.985 26.626 27.740 -0.214 0.000 2.044 51 C HN 0.641 nan 8.230 nan 0.000 0.464 52 I N -0.229 120.231 120.570 -0.184 0.000 3.684 52 I HA 0.020 4.190 4.170 0.001 0.000 0.304 52 I C 2.165 178.214 176.117 -0.113 0.000 1.278 52 I CA 0.795 61.997 61.300 -0.163 0.000 1.272 52 I CB -0.618 37.268 38.000 -0.191 0.000 1.029 52 I HN 0.239 nan 8.210 nan 0.000 0.458 53 Q N 1.744 121.493 119.800 -0.086 0.000 2.020 53 Q HA -0.214 4.126 4.340 0.001 0.000 0.202 53 Q C 2.366 178.346 176.000 -0.033 0.000 0.982 53 Q CA 3.088 58.852 55.803 -0.064 0.000 0.838 53 Q CB -0.720 27.991 28.738 -0.046 0.000 0.899 53 Q HN 0.527 nan 8.270 nan 0.000 0.423 54 T N -1.275 113.275 114.554 -0.008 0.000 2.778 54 T HA -0.150 4.201 4.350 0.001 0.000 0.269 54 T C 1.545 176.252 174.700 0.012 0.000 1.050 54 T CA 1.636 63.742 62.100 0.009 0.000 1.137 54 T CB -0.684 68.199 68.868 0.024 0.000 0.860 54 T HN 0.538 nan 8.240 nan 0.000 0.468 55 G N -0.212 108.586 108.800 -0.003 0.000 2.484 55 G HA2 -0.024 3.936 3.960 0.001 0.000 0.218 55 G HA3 -0.024 3.936 3.960 0.001 0.000 0.218 55 G C 1.597 176.534 174.900 0.062 0.000 1.130 55 G CA 0.772 45.882 45.100 0.016 0.000 0.784 55 G HN 0.513 nan 8.290 nan 0.000 0.543 56 V N 0.645 120.553 119.914 -0.010 0.000 2.535 56 V HA -0.045 4.075 4.120 0.001 0.000 0.246 56 V C 2.183 178.358 176.094 0.135 0.000 1.045 56 V CA 1.506 63.782 62.300 -0.041 0.000 1.058 56 V CB -0.042 31.690 31.823 -0.153 0.000 0.689 56 V HN 0.315 nan 8.190 nan 0.000 0.461 57 D N 0.267 120.704 120.400 0.062 0.000 2.277 57 D HA -0.016 4.625 4.640 0.001 0.000 0.208 57 D C 0.283 176.604 176.300 0.036 0.000 0.962 57 D CA 0.662 54.690 54.000 0.047 0.000 0.865 57 D CB 0.122 40.929 40.800 0.013 0.000 0.939 57 D HN 0.376 nan 8.370 nan 0.000 0.510 58 N N 0.799 119.519 118.700 0.034 0.000 2.623 58 N HA 0.166 4.906 4.740 0.001 0.000 0.256 58 N C -2.077 173.379 175.510 -0.089 0.000 1.045 58 N CA -1.221 51.815 53.050 -0.024 0.000 0.863 58 N CB 2.165 40.649 38.487 -0.004 0.000 1.182 58 N HN -0.117 nan 8.380 nan 0.000 0.523 59 P HA -0.013 nan 4.420 nan 0.000 0.223 59 P C 0.907 178.070 177.300 -0.229 0.000 1.151 59 P CA 0.911 63.669 63.100 -0.571 0.000 0.787 59 P CB 0.427 31.759 31.700 -0.613 0.000 0.788 60 G N -1.003 107.734 108.800 -0.105 0.000 2.553 60 G HA2 -0.219 3.742 3.960 0.001 0.000 0.242 60 G HA3 -0.219 3.742 3.960 0.001 0.000 0.242 60 G C -0.837 174.090 174.900 0.045 0.000 1.277 60 G CA -0.236 44.858 45.100 -0.011 0.000 0.910 60 G HN 0.467 nan 8.290 nan 0.000 0.576 61 H N 0.470 119.528 119.070 -0.021 0.000 2.961 61 H HA 0.461 5.018 4.556 0.001 0.000 0.371 61 H C -1.870 173.461 175.328 0.005 0.000 1.190 61 H CA -0.981 55.073 56.048 0.009 0.000 1.138 61 H CB 2.277 32.070 29.762 0.052 0.000 1.816 61 H HN 0.169 nan 8.280 nan 0.000 0.551 62 P HA -0.086 nan 4.420 nan 0.000 0.216 62 P C 1.194 178.408 177.300 -0.144 0.000 1.153 62 P CA 1.176 64.072 63.100 -0.341 0.000 0.848 62 P CB 0.094 31.505 31.700 -0.482 0.000 0.787 63 F N -1.132 118.972 119.950 0.257 0.000 2.098 63 F HA -0.028 4.500 4.527 0.002 0.000 0.294 63 F C 1.353 177.243 175.800 0.151 0.000 1.107 63 F CA 1.037 59.182 58.000 0.243 0.000 1.234 63 F CB -0.237 38.930 39.000 0.278 0.000 1.002 63 F HN -0.194 nan 8.300 nan 0.000 0.472 64 I N 1.636 122.425 120.570 0.365 0.000 2.330 64 I HA 0.145 4.316 4.170 0.001 0.000 0.286 64 I C -0.038 176.156 176.117 0.129 0.000 1.025 64 I CA -0.511 60.891 61.300 0.170 0.000 1.197 64 I CB 0.655 38.715 38.000 0.101 0.000 1.358 64 I HN -0.023 nan 8.210 nan 0.000 0.467 65 K N 4.218 124.660 120.400 0.070 0.000 2.144 65 K HA 0.479 4.800 4.320 0.001 0.000 0.270 65 K C 0.242 176.860 176.600 0.030 0.000 1.005 65 K CA -0.298 56.012 56.287 0.038 0.000 0.932 65 K CB 1.402 33.907 32.500 0.008 0.000 1.021 65 K HN 0.624 nan 8.250 nan 0.000 0.462 66 T N -2.111 112.459 114.554 0.026 0.000 2.949 66 T HA 0.208 4.559 4.350 0.001 0.000 0.287 66 T C 1.252 175.964 174.700 0.020 0.000 1.034 66 T CA -0.998 61.116 62.100 0.024 0.000 1.018 66 T CB 1.364 70.249 68.868 0.028 0.000 1.135 66 T HN 0.164 nan 8.240 nan 0.000 0.532 67 V N 0.720 120.651 119.914 0.029 0.000 2.270 67 V HA 0.202 4.323 4.120 0.001 0.000 0.245 67 V C 2.291 178.398 176.094 0.022 0.000 1.043 67 V CA 2.525 64.847 62.300 0.036 0.000 1.014 67 V CB -1.257 30.610 31.823 0.074 0.000 0.645 67 V HN 1.426 nan 8.190 nan 0.000 0.447 68 G N -0.174 108.639 108.800 0.022 0.000 2.176 68 G HA2 -0.220 3.741 3.960 0.001 0.000 0.232 68 G HA3 -0.220 3.741 3.960 0.001 0.000 0.232 68 G C 0.082 174.966 174.900 -0.027 0.000 0.986 68 G CA 0.402 45.504 45.100 0.002 0.000 0.643 68 G HN 0.689 nan 8.290 nan 0.000 0.522 69 M N -2.453 117.139 119.600 -0.014 0.000 3.213 69 M HA 0.893 5.373 4.480 0.001 0.000 0.278 69 M C -1.564 174.780 176.300 0.072 0.000 1.332 69 M CA -1.179 54.096 55.300 -0.041 0.000 0.810 69 M CB 2.297 34.766 32.600 -0.219 0.000 1.676 69 M HN 0.480 nan 8.290 nan 0.000 0.463 70 V N 0.168 120.159 119.914 0.128 0.000 3.204 70 V HA 0.836 4.957 4.120 0.001 0.000 0.298 70 V C -1.485 174.790 176.094 0.302 0.000 1.328 70 V CA -0.401 62.023 62.300 0.207 0.000 1.035 70 V CB 2.438 34.347 31.823 0.144 0.000 1.095 70 V HN 1.125 nan 8.190 nan 0.000 0.442 71 A N 1.796 124.703 122.820 0.145 0.000 2.288 71 A HA 0.707 5.028 4.320 0.001 0.000 0.320 71 A C 0.986 178.456 177.584 -0.190 0.000 1.217 71 A CA 0.244 52.255 52.037 -0.044 0.000 0.840 71 A CB 1.382 20.096 19.000 -0.477 0.000 1.179 71 A HN 1.316 nan 8.150 nan 0.000 0.504 72 G N 1.435 109.928 108.800 -0.511 0.000 2.408 72 G HA2 0.269 4.229 3.960 0.001 0.000 0.215 72 G HA3 0.269 4.229 3.960 0.001 0.000 0.215 72 G C 0.183 174.773 174.900 -0.517 0.000 1.156 72 G CA 1.170 45.581 45.100 -1.149 0.000 0.793 72 G HN 0.864 nan 8.290 nan 0.000 0.535 73 D N -2.810 117.418 120.400 -0.287 0.000 2.626 73 D HA 0.207 4.848 4.640 0.001 0.000 0.278 73 D C 0.680 176.953 176.300 -0.045 0.000 1.211 73 D CA -0.726 53.206 54.000 -0.113 0.000 0.903 73 D CB 0.791 41.562 40.800 -0.048 0.000 1.408 73 D HN -0.016 nan 8.370 nan 0.000 0.454 74 E N -0.553 119.655 120.200 0.012 0.000 2.153 74 E HA -0.241 4.110 4.350 0.001 0.000 0.194 74 E C 0.844 177.465 176.600 0.034 0.000 0.988 74 E CA 1.314 57.747 56.400 0.056 0.000 0.811 74 E CB 0.111 29.845 29.700 0.056 0.000 0.746 74 E HN 0.477 nan 8.360 nan 0.000 0.466 75 E N -0.101 120.097 120.200 -0.004 0.000 2.347 75 E HA -0.057 4.293 4.350 0.001 0.000 0.196 75 E C 1.902 178.446 176.600 -0.093 0.000 1.008 75 E CA 0.725 57.099 56.400 -0.043 0.000 0.852 75 E CB 0.132 29.802 29.700 -0.050 0.000 0.783 75 E HN 0.111 nan 8.360 nan 0.000 0.505 76 S N 0.022 115.683 115.700 -0.066 0.000 2.383 76 S HA -0.172 4.299 4.470 0.001 0.000 0.229 76 S C 1.289 175.782 174.600 -0.178 0.000 1.030 76 S CA 0.943 59.150 58.200 0.011 0.000 1.002 76 S CB -0.321 62.946 63.200 0.113 0.000 0.829 76 S HN 0.365 nan 8.310 nan 0.000 0.467 77 Y N 1.420 121.544 120.300 -0.293 0.000 2.497 77 Y HA -0.002 4.549 4.550 0.001 0.000 0.292 77 Y C 2.447 178.248 175.900 -0.165 0.000 1.137 77 Y CA 0.870 58.697 58.100 -0.455 0.000 1.285 77 Y CB -0.039 38.165 38.460 -0.425 0.000 0.991 77 Y HN 0.372 nan 8.280 nan 0.000 0.556 78 E N -0.887 119.299 120.200 -0.022 0.000 2.175 78 E HA -0.051 4.300 4.350 0.001 0.000 0.195 78 E C 2.059 178.607 176.600 -0.086 0.000 0.934 78 E CA 0.692 57.073 56.400 -0.032 0.000 0.870 78 E CB -0.039 29.630 29.700 -0.051 0.000 0.838 78 E HN 0.148 nan 8.360 nan 0.000 0.474 79 V N 0.883 120.655 119.914 -0.235 0.000 2.343 79 V HA -0.196 3.924 4.120 0.001 0.000 0.247 79 V C 1.222 177.081 176.094 -0.392 0.000 1.051 79 V CA 1.523 63.549 62.300 -0.457 0.000 1.036 79 V CB -0.425 30.872 31.823 -0.876 0.000 0.654 79 V HN 0.255 nan 8.190 nan 0.000 0.451 80 F N -0.273 119.760 119.950 0.138 0.000 2.837 80 F HA 0.585 5.113 4.527 0.001 0.000 0.298 80 F C 1.601 177.565 175.800 0.274 0.000 1.161 80 F CA -0.150 57.962 58.000 0.186 0.000 1.353 80 F CB -0.883 38.253 39.000 0.225 0.000 0.951 80 F HN -0.012 nan 8.300 nan 0.000 0.508 81 A N -0.034 122.967 122.820 0.302 0.000 1.978 81 A HA -0.226 4.095 4.320 0.001 0.000 0.220 81 A C 2.162 179.887 177.584 0.235 0.000 1.170 81 A CA 1.674 53.873 52.037 0.269 0.000 0.636 81 A CB -0.520 18.564 19.000 0.141 0.000 0.810 81 A HN 0.462 nan 8.150 nan 0.000 0.448 82 E N -1.549 118.762 120.200 0.185 0.000 2.401 82 E HA -0.114 4.237 4.350 0.001 0.000 0.199 82 E C 1.336 178.009 176.600 0.123 0.000 1.023 82 E CA 0.937 57.417 56.400 0.132 0.000 0.859 82 E CB -0.026 29.738 29.700 0.107 0.000 0.780 82 E HN 0.660 nan 8.360 nan 0.000 0.523 83 I N -1.749 118.906 120.570 0.141 0.000 4.338 83 I HA 0.061 4.232 4.170 0.001 0.000 0.315 83 I C 0.901 177.048 176.117 0.050 0.000 1.262 83 I CA 0.287 61.615 61.300 0.047 0.000 1.298 83 I CB 0.145 38.110 38.000 -0.058 0.000 1.257 83 I HN -0.050 nan 8.210 nan 0.000 0.444 84 F N 1.480 121.499 119.950 0.116 0.000 2.146 84 F HA -0.141 4.387 4.527 0.001 0.000 0.298 84 F C 2.171 178.064 175.800 0.154 0.000 1.096 84 F CA 1.725 59.811 58.000 0.143 0.000 1.275 84 F CB -0.578 38.531 39.000 0.181 0.000 1.008 84 F HN 0.080 nan 8.300 nan 0.000 0.480 85 D N 0.047 120.642 120.400 0.324 0.000 2.104 85 D HA -0.149 4.492 4.640 0.001 0.000 0.194 85 D C -0.448 175.952 176.300 0.166 0.000 0.994 85 D CA 1.564 55.689 54.000 0.208 0.000 0.830 85 D CB -1.828 39.054 40.800 0.136 0.000 0.959 85 D HN 0.199 nan 8.370 nan 0.000 0.452 86 P HA -0.068 nan 4.420 nan 0.000 0.215 86 P C 1.837 179.208 177.300 0.120 0.000 1.157 86 P CA 0.604 63.768 63.100 0.106 0.000 0.863 86 P CB 0.074 31.820 31.700 0.077 0.000 0.787 87 V N -0.335 119.657 119.914 0.129 0.000 2.392 87 V HA -0.233 3.888 4.120 0.001 0.000 0.249 87 V C 2.379 178.583 176.094 0.183 0.000 1.059 87 V CA 1.590 63.964 62.300 0.122 0.000 1.051 87 V CB -1.063 30.818 31.823 0.096 0.000 0.658 87 V HN 0.060 nan 8.190 nan 0.000 0.455 88 I N -0.265 120.465 120.570 0.267 0.000 2.202 88 I HA -0.244 3.927 4.170 0.001 0.000 0.242 88 I C 2.591 178.912 176.117 0.340 0.000 1.091 88 I CA 1.741 63.255 61.300 0.356 0.000 1.368 88 I CB -0.347 37.861 38.000 0.346 0.000 1.058 88 I HN 0.252 nan 8.210 nan 0.000 0.410 89 K N 1.174 121.718 120.400 0.240 0.000 2.152 89 K HA -0.198 4.123 4.320 0.001 0.000 0.206 89 K C 2.078 178.780 176.600 0.170 0.000 1.048 89 K CA 1.481 57.891 56.287 0.204 0.000 0.933 89 K CB -0.034 32.542 32.500 0.127 0.000 0.721 89 K HN 0.318 nan 8.250 nan 0.000 0.447 90 A N 1.079 123.973 122.820 0.124 0.000 1.872 90 A HA -0.123 4.198 4.320 0.001 0.000 0.214 90 A C 2.085 179.690 177.584 0.036 0.000 1.187 90 A CA 1.397 53.478 52.037 0.072 0.000 0.614 90 A CB -0.483 18.548 19.000 0.051 0.000 0.826 90 A HN 0.290 nan 8.150 nan 0.000 0.442 91 R N 0.099 120.598 120.500 -0.002 0.000 2.092 91 R HA -0.096 4.245 4.340 0.001 0.000 0.231 91 R C 0.200 176.297 176.300 -0.338 0.000 1.119 91 R CA 1.614 57.609 56.100 -0.174 0.000 0.970 91 R CB -0.703 29.451 30.300 -0.244 0.000 0.864 91 R HN 0.648 nan 8.270 nan 0.000 0.440 92 H N 1.253 120.406 119.070 0.138 0.000 2.557 92 H HA 0.214 4.771 4.556 0.001 0.000 0.236 92 H C -0.677 174.779 175.328 0.212 0.000 1.676 92 H CA -0.064 56.082 56.048 0.164 0.000 1.197 92 H CB -0.907 28.962 29.762 0.178 0.000 1.604 92 H HN 0.345 nan 8.280 nan 0.000 0.509 93 N N 1.117 119.906 118.700 0.149 0.000 2.220 93 N HA -0.257 4.484 4.740 0.001 0.000 0.294 93 N C 0.860 176.486 175.510 0.194 0.000 1.243 93 N CA 0.683 53.809 53.050 0.127 0.000 0.936 93 N CB -0.114 38.403 38.487 0.050 0.000 1.228 93 N HN 0.819 nan 8.380 nan 0.000 0.527 94 G N 1.354 110.310 108.800 0.260 0.000 2.799 94 G HA2 -0.301 3.660 3.960 0.001 0.000 0.200 94 G HA3 -0.301 3.660 3.960 0.001 0.000 0.200 94 G C -0.206 174.993 174.900 0.499 0.000 1.206 94 G CA -0.167 45.148 45.100 0.358 0.000 0.827 94 G HN 0.591 nan 8.290 nan 0.000 0.511 95 Y N 3.451 124.040 120.300 0.482 0.000 2.802 95 Y HA 0.415 4.966 4.550 0.002 0.000 0.333 95 Y C -0.195 175.763 175.900 0.097 0.000 1.244 95 Y CA 0.652 58.844 58.100 0.153 0.000 1.558 95 Y CB 0.639 39.146 38.460 0.078 0.000 1.233 95 Y HN 0.230 nan 8.280 nan 0.000 0.547 96 D N 9.339 129.405 120.400 -0.556 0.000 2.461 96 D HA 0.266 4.907 4.640 0.001 0.000 0.240 96 D C -1.986 174.023 176.300 -0.484 0.000 1.094 96 D CA -2.560 51.250 54.000 -0.318 0.000 0.868 96 D CB 1.495 42.202 40.800 -0.155 0.000 1.062 96 D HN 0.304 nan 8.370 nan 0.000 0.530 97 P HA -0.128 nan 4.420 nan 0.000 0.223 97 P C 1.099 178.314 177.300 -0.142 0.000 1.144 97 P CA 0.625 63.615 63.100 -0.183 0.000 0.783 97 P CB 0.499 32.200 31.700 0.001 0.000 0.771 98 R N -0.919 119.514 120.500 -0.113 0.000 2.090 98 R HA -0.025 4.316 4.340 0.001 0.000 0.228 98 R C 2.364 178.609 176.300 -0.092 0.000 1.110 98 R CA 1.812 57.869 56.100 -0.071 0.000 0.973 98 R CB -0.703 29.574 30.300 -0.037 0.000 0.869 98 R HN 0.183 nan 8.270 nan 0.000 0.440 99 T N -1.018 113.453 114.554 -0.139 0.000 2.969 99 T HA 0.286 4.637 4.350 0.001 0.000 0.250 99 T C 0.428 175.035 174.700 -0.154 0.000 1.021 99 T CA -0.047 61.982 62.100 -0.120 0.000 1.003 99 T CB 0.392 69.204 68.868 -0.095 0.000 1.040 99 T HN -0.077 nan 8.240 nan 0.000 0.492 100 M N 1.422 120.860 119.600 -0.271 0.000 2.598 100 M HA 0.571 5.051 4.480 0.001 0.000 0.317 100 M C -0.716 175.485 176.300 -0.165 0.000 1.201 100 M CA -0.827 54.305 55.300 -0.280 0.000 0.971 100 M CB 2.103 34.357 32.600 -0.576 0.000 1.657 100 M HN -0.189 nan 8.290 nan 0.000 0.470 101 K N -0.120 120.241 120.400 -0.065 0.000 2.258 101 K HA 0.476 4.797 4.320 0.001 0.000 0.236 101 K C -1.126 175.455 176.600 -0.031 0.000 1.008 101 K CA -0.665 55.585 56.287 -0.062 0.000 0.869 101 K CB 1.297 33.723 32.500 -0.123 0.000 1.171 101 K HN 0.508 nan 8.250 nan 0.000 0.447 102 H N 1.048 119.954 119.070 -0.273 0.000 2.667 102 H HA 0.340 4.896 4.556 0.001 0.000 0.353 102 H C -1.203 173.935 175.328 -0.316 0.000 1.072 102 H CA -0.620 55.266 56.048 -0.270 0.000 1.214 102 H CB 0.898 30.514 29.762 -0.243 0.000 1.600 102 H HN 0.645 nan 8.280 nan 0.000 0.527 103 H N 2.598 121.486 119.070 -0.303 0.000 2.476 103 H HA 0.281 4.838 4.556 0.001 0.000 0.328 103 H C -0.130 175.130 175.328 -0.114 0.000 1.073 103 H CA -0.354 55.643 56.048 -0.084 0.000 1.229 103 H CB 1.454 31.173 29.762 -0.071 0.000 1.432 103 H HN 0.414 nan 8.280 nan 0.000 0.477 104 T N 2.846 117.542 114.554 0.236 0.000 2.837 104 T HA 0.190 4.540 4.350 0.001 0.000 0.285 104 T C -0.448 174.358 174.700 0.177 0.000 0.984 104 T CA -0.541 61.722 62.100 0.272 0.000 1.049 104 T CB 0.671 69.740 68.868 0.336 0.000 0.947 104 T HN 0.549 nan 8.240 nan 0.000 0.472 105 D N 3.103 123.619 120.400 0.193 0.000 2.386 105 D HA 0.240 4.881 4.640 0.001 0.000 0.247 105 D C -0.387 176.033 176.300 0.200 0.000 1.336 105 D CA -0.363 53.730 54.000 0.155 0.000 0.976 105 D CB 0.837 41.717 40.800 0.134 0.000 1.257 105 D HN 0.387 nan 8.370 nan 0.000 0.570 106 L N 2.604 123.910 121.223 0.139 0.000 3.062 106 L HA 0.223 4.564 4.340 0.001 0.000 0.255 106 L C 0.171 177.032 176.870 -0.016 0.000 1.274 106 L CA -0.226 54.678 54.840 0.107 0.000 1.047 106 L CB 0.536 42.647 42.059 0.087 0.000 1.402 106 L HN 0.172 nan 8.230 nan 0.000 0.550 107 D N 0.697 121.110 120.400 0.021 0.000 2.468 107 D HA 0.235 4.875 4.640 0.001 0.000 0.218 107 D C 1.156 177.441 176.300 -0.026 0.000 1.155 107 D CA -0.005 53.985 54.000 -0.016 0.000 0.924 107 D CB 1.620 42.431 40.800 0.018 0.000 1.029 107 D HN 0.237 nan 8.370 nan 0.000 0.515 108 A N 2.872 125.587 122.820 -0.175 0.000 1.978 108 A HA -0.209 4.112 4.320 0.001 0.000 0.220 108 A C 2.225 179.814 177.584 0.008 0.000 1.170 108 A CA 1.935 53.858 52.037 -0.190 0.000 0.636 108 A CB -0.594 18.209 19.000 -0.329 0.000 0.810 108 A HN 0.605 nan 8.150 nan 0.000 0.448 109 S N 0.260 115.957 115.700 -0.005 0.000 2.402 109 S HA -0.233 4.237 4.470 0.001 0.000 0.233 109 S C 1.747 176.379 174.600 0.053 0.000 1.030 109 S CA 1.572 59.785 58.200 0.020 0.000 1.003 109 S CB -0.473 62.731 63.200 0.006 0.000 0.813 109 S HN 0.623 nan 8.310 nan 0.000 0.477 110 K N 0.443 120.885 120.400 0.070 0.000 2.360 110 K HA 0.085 4.405 4.320 0.001 0.000 0.201 110 K C 0.179 176.842 176.600 0.105 0.000 1.046 110 K CA 0.462 56.799 56.287 0.083 0.000 0.945 110 K CB -0.245 32.309 32.500 0.090 0.000 0.750 110 K HN 0.428 nan 8.250 nan 0.000 0.464 111 I N 3.008 123.660 120.570 0.137 0.000 2.256 111 I HA -0.035 4.136 4.170 0.001 0.000 0.294 111 I C 1.739 177.922 176.117 0.110 0.000 1.127 111 I CA 0.375 61.752 61.300 0.129 0.000 1.247 111 I CB 0.161 38.283 38.000 0.203 0.000 1.460 111 I HN 0.126 nan 8.210 nan 0.000 0.511 112 T N 2.877 117.510 114.554 0.132 0.000 2.951 112 T HA -0.066 4.285 4.350 0.001 0.000 0.268 112 T C 0.508 175.328 174.700 0.200 0.000 1.073 112 T CA 0.858 63.044 62.100 0.143 0.000 1.134 112 T CB -0.208 68.740 68.868 0.134 0.000 0.884 112 T HN 0.704 nan 8.240 nan 0.000 0.479 113 H N -2.879 116.186 119.070 -0.008 0.000 3.099 113 H HA 0.597 5.154 4.556 0.001 0.000 0.342 113 H C -0.626 174.655 175.328 -0.079 0.000 1.054 113 H CA -1.113 54.914 56.048 -0.036 0.000 1.328 113 H CB 1.203 30.947 29.762 -0.030 0.000 1.876 113 H HN 0.204 nan 8.280 nan 0.000 0.495 114 G N 2.534 111.199 108.800 -0.225 0.000 3.025 114 G HA2 0.329 4.290 3.960 0.001 0.000 0.305 114 G HA3 0.329 4.290 3.960 0.001 0.000 0.305 114 G C -1.543 173.091 174.900 -0.443 0.000 1.568 114 G CA -0.615 44.227 45.100 -0.430 0.000 0.916 114 G HN 0.686 nan 8.290 nan 0.000 0.502 115 Q N 1.317 120.898 119.800 -0.364 0.000 2.333 115 Q HA 0.762 5.103 4.340 0.001 0.000 0.267 115 Q C -1.307 174.562 176.000 -0.218 0.000 1.012 115 Q CA -0.645 55.008 55.803 -0.249 0.000 0.824 115 Q CB 1.378 30.082 28.738 -0.057 0.000 1.290 115 Q HN 0.240 nan 8.270 nan 0.000 0.449 116 F N 1.013 120.980 119.950 0.029 0.000 2.403 116 F HA 0.301 4.828 4.527 0.001 0.000 0.326 116 F C 0.545 176.377 175.800 0.053 0.000 1.081 116 F CA -1.029 56.990 58.000 0.032 0.000 1.041 116 F CB 0.922 39.944 39.000 0.037 0.000 1.234 116 F HN 0.506 nan 8.300 nan 0.000 0.503 117 D N 1.896 122.466 120.400 0.283 0.000 2.342 117 D HA -0.012 4.629 4.640 0.001 0.000 0.260 117 D C 0.636 177.090 176.300 0.255 0.000 1.278 117 D CA 0.281 54.412 54.000 0.219 0.000 0.910 117 D CB 0.450 41.350 40.800 0.166 0.000 1.079 117 D HN 0.559 nan 8.370 nan 0.000 0.496 118 E N 3.047 123.365 120.200 0.197 0.000 2.515 118 E HA -0.101 4.250 4.350 0.001 0.000 0.201 118 E C 1.229 177.904 176.600 0.124 0.000 1.071 118 E CA 0.253 56.748 56.400 0.157 0.000 0.880 118 E CB 0.373 30.143 29.700 0.117 0.000 0.828 118 E HN 0.458 nan 8.360 nan 0.000 0.540 119 R N -0.540 120.059 120.500 0.165 0.000 2.210 119 R HA 0.002 4.343 4.340 0.001 0.000 0.203 119 R C 0.990 177.192 176.300 -0.164 0.000 1.010 119 R CA 0.773 56.872 56.100 -0.002 0.000 1.008 119 R CB 0.215 30.497 30.300 -0.030 0.000 0.923 119 R HN 0.240 nan 8.270 nan 0.000 0.469 120 Y N -0.543 119.767 120.300 0.017 0.000 2.594 120 Y HA 0.168 4.719 4.550 0.002 0.000 0.283 120 Y C 0.930 176.829 175.900 -0.002 0.000 1.140 120 Y CA -0.381 57.717 58.100 -0.004 0.000 1.261 120 Y CB 0.265 38.713 38.460 -0.021 0.000 1.358 120 Y HN -0.341 nan 8.280 nan 0.000 0.513 121 V N 3.496 123.524 119.914 0.189 0.000 2.415 121 V HA -0.022 4.099 4.120 0.001 0.000 0.267 121 V C 0.926 177.090 176.094 0.117 0.000 1.042 121 V CA 0.048 62.402 62.300 0.089 0.000 1.000 121 V CB 0.569 32.409 31.823 0.028 0.000 1.015 121 V HN 0.333 nan 8.190 nan 0.000 0.478 122 L N 3.974 125.268 121.223 0.118 0.000 2.270 122 L HA 0.144 4.485 4.340 0.001 0.000 0.210 122 L C 0.980 177.930 176.870 0.134 0.000 1.104 122 L CA 1.055 55.968 54.840 0.121 0.000 0.804 122 L CB -0.719 41.415 42.059 0.125 0.000 0.937 122 L HN 0.905 nan 8.230 nan 0.000 0.450 123 S N -2.803 112.977 115.700 0.133 0.000 2.578 123 S HA 0.546 5.017 4.470 0.001 0.000 0.272 123 S C -0.671 173.956 174.600 0.045 0.000 1.145 123 S CA -0.798 57.460 58.200 0.097 0.000 0.835 123 S CB 2.105 65.362 63.200 0.094 0.000 1.104 123 S HN -0.064 nan 8.310 nan 0.000 0.458 124 S N 0.793 116.529 115.700 0.060 0.000 2.538 124 S HA 0.831 5.301 4.470 0.001 0.000 0.288 124 S C -1.074 173.542 174.600 0.026 0.000 1.108 124 S CA -0.833 57.409 58.200 0.070 0.000 0.971 124 S CB 1.634 64.945 63.200 0.184 0.000 1.041 124 S HN 0.807 nan 8.310 nan 0.000 0.483 125 R N 2.053 122.542 120.500 -0.018 0.000 2.584 125 R HA 0.651 4.991 4.340 0.001 0.000 0.276 125 R C -2.396 173.857 176.300 -0.078 0.000 1.046 125 R CA -0.445 55.631 56.100 -0.040 0.000 0.906 125 R CB 1.390 31.639 30.300 -0.085 0.000 1.215 125 R HN 0.490 nan 8.270 nan 0.000 0.449 126 V N 5.171 125.028 119.914 -0.095 0.000 2.443 126 V HA 0.461 4.582 4.120 0.001 0.000 0.293 126 V C -0.565 175.437 176.094 -0.153 0.000 1.021 126 V CA -0.778 61.373 62.300 -0.249 0.000 0.848 126 V CB 1.498 33.013 31.823 -0.513 0.000 0.998 126 V HN 0.868 nan 8.190 nan 0.000 0.424 127 R N 2.886 123.329 120.500 -0.094 0.000 2.873 127 R HA 0.955 5.296 4.340 0.001 0.000 0.264 127 R C -0.503 175.876 176.300 0.133 0.000 1.026 127 R CA -0.446 55.682 56.100 0.046 0.000 1.002 127 R CB 2.090 32.359 30.300 -0.051 0.000 1.174 127 R HN 0.538 nan 8.270 nan 0.000 0.488 128 T N -0.921 113.733 114.554 0.167 0.000 2.718 128 T HA 0.663 5.014 4.350 0.001 0.000 0.306 128 T C -1.372 173.304 174.700 -0.040 0.000 1.485 128 T CA -0.375 61.781 62.100 0.093 0.000 0.997 128 T CB 1.365 70.351 68.868 0.197 0.000 1.504 128 T HN 0.935 nan 8.240 nan 0.000 0.497 129 G N 1.654 110.400 108.800 -0.090 0.000 2.452 129 G HA2 0.706 4.667 3.960 0.001 0.000 0.324 129 G HA3 0.706 4.667 3.960 0.001 0.000 0.324 129 G C -1.282 173.462 174.900 -0.259 0.000 1.214 129 G CA -0.579 44.438 45.100 -0.138 0.000 0.947 129 G HN 0.552 nan 8.290 nan 0.000 0.478 130 R N 0.607 120.912 120.500 -0.324 0.000 2.599 130 R HA 0.624 4.965 4.340 0.001 0.000 0.295 130 R C -0.885 175.277 176.300 -0.229 0.000 0.963 130 R CA -0.764 55.029 56.100 -0.512 0.000 0.883 130 R CB 1.989 31.619 30.300 -1.117 0.000 1.171 130 R HN 0.454 nan 8.270 nan 0.000 0.450 131 S N 2.762 118.400 115.700 -0.103 0.000 2.454 131 S HA 0.456 4.927 4.470 0.001 0.000 0.306 131 S C 0.211 175.017 174.600 0.343 0.000 1.100 131 S CA -0.743 57.536 58.200 0.132 0.000 1.087 131 S CB 1.086 64.286 63.200 0.001 0.000 1.019 131 S HN 0.294 nan 8.310 nan 0.000 0.480 132 I N 3.320 124.198 120.570 0.513 0.000 2.452 132 I HA 0.188 4.359 4.170 0.001 0.000 0.287 132 I C 1.063 177.385 176.117 0.341 0.000 1.079 132 I CA 0.049 61.535 61.300 0.310 0.000 1.387 132 I CB -0.163 37.779 38.000 -0.097 0.000 1.404 132 I HN 0.563 nan 8.210 nan 0.000 0.522 133 R N 4.063 124.777 120.500 0.357 0.000 2.537 133 R HA 0.340 4.681 4.340 0.001 0.000 0.280 133 R C 1.017 177.530 176.300 0.356 0.000 1.058 133 R CA 1.017 57.301 56.100 0.305 0.000 1.057 133 R CB 0.458 30.909 30.300 0.253 0.000 0.973 133 R HN 0.953 nan 8.270 nan 0.000 0.438 134 G N 3.098 112.061 108.800 0.271 0.000 2.238 134 G HA2 -0.212 3.749 3.960 0.001 0.000 0.217 134 G HA3 -0.212 3.749 3.960 0.001 0.000 0.217 134 G C -0.236 174.825 174.900 0.269 0.000 0.996 134 G CA -0.209 45.052 45.100 0.269 0.000 0.632 134 G HN 0.473 nan 8.290 nan 0.000 0.503 135 L N 1.652 123.034 121.223 0.265 0.000 2.362 135 L HA 0.667 5.008 4.340 0.001 0.000 0.271 135 L C 0.519 177.541 176.870 0.254 0.000 1.002 135 L CA -1.003 53.960 54.840 0.205 0.000 0.818 135 L CB 2.078 44.177 42.059 0.066 0.000 1.298 135 L HN 0.092 nan 8.230 nan 0.000 0.420 136 S N 2.063 117.861 115.700 0.164 0.000 2.579 136 S HA 0.375 4.846 4.470 0.001 0.000 0.275 136 S C 0.225 174.873 174.600 0.079 0.000 1.345 136 S CA -0.605 57.646 58.200 0.085 0.000 1.031 136 S CB 0.536 63.755 63.200 0.032 0.000 0.892 136 S HN 0.293 nan 8.310 nan 0.000 0.529 137 L N 2.518 123.682 121.223 -0.099 0.000 2.475 137 L HA 0.163 4.504 4.340 0.001 0.000 0.250 137 L C -1.435 175.374 176.870 -0.102 0.000 1.224 137 L CA -1.626 53.077 54.840 -0.229 0.000 0.821 137 L CB -0.299 41.627 42.059 -0.221 0.000 1.141 137 L HN 0.411 nan 8.230 nan 0.000 0.494 138 P HA -0.047 nan 4.420 nan 0.000 0.220 138 P C -1.586 175.728 177.300 0.023 0.000 1.148 138 P CA 1.032 64.140 63.100 0.014 0.000 0.803 138 P CB -0.606 31.116 31.700 0.036 0.000 0.782 139 P HA -0.058 nan 4.420 nan 0.000 0.226 139 P C 0.900 178.234 177.300 0.056 0.000 1.153 139 P CA 1.582 64.703 63.100 0.035 0.000 0.777 139 P CB -0.287 31.428 31.700 0.026 0.000 0.794 140 A N -1.512 121.286 122.820 -0.036 0.000 2.141 140 A HA 0.122 4.443 4.320 0.001 0.000 0.201 140 A C 0.889 178.503 177.584 0.051 0.000 1.344 140 A CA 0.061 52.104 52.037 0.010 0.000 0.971 140 A CB -0.772 18.096 19.000 -0.221 0.000 1.035 140 A HN 0.339 nan 8.150 nan 0.000 0.480 141 C N 2.473 121.797 119.300 0.040 0.000 2.648 141 C HA 0.554 5.015 4.460 0.001 0.000 0.419 141 C C 1.190 176.221 174.990 0.068 0.000 1.352 141 C CA -0.663 58.394 59.018 0.065 0.000 1.816 141 C CB -1.054 26.744 27.740 0.096 0.000 2.598 141 C HN 0.696 nan 8.230 nan 0.000 0.598 142 S N 3.450 119.189 115.700 0.066 0.000 2.600 142 S HA 0.239 4.709 4.470 0.001 0.000 0.265 142 S C 1.150 175.777 174.600 0.045 0.000 1.325 142 S CA -0.243 57.992 58.200 0.058 0.000 1.002 142 S CB 0.456 63.690 63.200 0.056 0.000 0.921 142 S HN 0.877 nan 8.310 nan 0.000 0.554 143 R N 0.685 121.208 120.500 0.038 0.000 2.117 143 R HA -0.137 4.204 4.340 0.001 0.000 0.243 143 R C 2.553 178.862 176.300 0.015 0.000 1.143 143 R CA 1.642 57.757 56.100 0.024 0.000 0.968 143 R CB -0.983 29.330 30.300 0.022 0.000 0.863 143 R HN 0.842 nan 8.270 nan 0.000 0.444 144 A N 0.799 123.632 122.820 0.022 0.000 1.898 144 A HA -0.158 4.163 4.320 0.001 0.000 0.216 144 A C 1.841 179.432 177.584 0.012 0.000 1.181 144 A CA 1.215 53.263 52.037 0.019 0.000 0.620 144 A CB -0.259 18.759 19.000 0.029 0.000 0.819 144 A HN 0.320 nan 8.150 nan 0.000 0.442 145 E N -0.688 119.526 120.200 0.024 0.000 2.077 145 E HA -0.204 4.147 4.350 0.001 0.000 0.193 145 E C 2.311 178.895 176.600 -0.026 0.000 0.989 145 E CA 1.116 57.527 56.400 0.018 0.000 0.800 145 E CB -0.191 29.541 29.700 0.053 0.000 0.746 145 E HN 0.578 nan 8.360 nan 0.000 0.452 146 R N 0.996 121.493 120.500 -0.006 0.000 2.075 146 R HA -0.122 4.219 4.340 0.001 0.000 0.232 146 R C 2.249 178.512 176.300 -0.062 0.000 1.126 146 R CA 1.191 57.278 56.100 -0.021 0.000 0.963 146 R CB 0.053 30.355 30.300 0.003 0.000 0.858 146 R HN -0.060 nan 8.270 nan 0.000 0.435 147 R N 0.279 120.750 120.500 -0.047 0.000 2.081 147 R HA -0.153 4.188 4.340 0.001 0.000 0.235 147 R C 2.125 178.368 176.300 -0.095 0.000 1.131 147 R CA 1.817 57.885 56.100 -0.054 0.000 0.960 147 R CB -0.207 30.076 30.300 -0.028 0.000 0.856 147 R HN 0.231 nan 8.270 nan 0.000 0.436 148 E N -0.240 119.894 120.200 -0.110 0.000 2.106 148 E HA -0.108 4.243 4.350 0.001 0.000 0.192 148 E C 1.686 178.087 176.600 -0.333 0.000 0.984 148 E CA 1.092 57.389 56.400 -0.172 0.000 0.806 148 E CB -0.015 29.618 29.700 -0.112 0.000 0.750 148 E HN 0.068 nan 8.360 nan 0.000 0.458 149 V N 1.185 120.887 119.914 -0.354 0.000 2.287 149 V HA -0.278 3.843 4.120 0.001 0.000 0.248 149 V C 2.462 178.354 176.094 -0.337 0.000 1.053 149 V CA 2.327 64.347 62.300 -0.466 0.000 1.027 149 V CB -0.631 30.878 31.823 -0.524 0.000 0.646 149 V HN 0.433 nan 8.190 nan 0.000 0.447 150 E N 0.329 120.397 120.200 -0.221 0.000 2.077 150 E HA -0.298 4.053 4.350 0.001 0.000 0.193 150 E C 2.052 178.513 176.600 -0.232 0.000 0.989 150 E CA 1.834 58.129 56.400 -0.175 0.000 0.800 150 E CB -0.161 29.496 29.700 -0.072 0.000 0.746 150 E HN 0.696 nan 8.360 nan 0.000 0.452 151 N N -0.521 118.051 118.700 -0.213 0.000 2.142 151 N HA -0.133 4.608 4.740 0.001 0.000 0.186 151 N C 1.785 177.144 175.510 -0.251 0.000 1.023 151 N CA 1.322 54.254 53.050 -0.196 0.000 0.852 151 N CB 0.139 38.545 38.487 -0.135 0.000 0.998 151 N HN -0.011 nan 8.380 nan 0.000 0.424 152 V N -0.313 119.379 119.914 -0.369 0.000 2.261 152 V HA -0.173 3.948 4.120 0.001 0.000 0.246 152 V C 2.173 178.059 176.094 -0.346 0.000 1.047 152 V CA 1.343 63.367 62.300 -0.460 0.000 1.015 152 V CB -0.446 30.841 31.823 -0.893 0.000 0.642 152 V HN 0.195 nan 8.190 nan 0.000 0.446 153 V N -0.574 119.138 119.914 -0.337 0.000 2.358 153 V HA -0.176 3.945 4.120 0.001 0.000 0.246 153 V C 2.393 178.285 176.094 -0.337 0.000 1.047 153 V CA 1.641 63.770 62.300 -0.286 0.000 1.035 153 V CB -0.158 31.521 31.823 -0.239 0.000 0.658 153 V HN 0.386 nan 8.190 nan 0.000 0.452 154 V N -0.113 119.567 119.914 -0.390 0.000 2.358 154 V HA -0.258 3.862 4.120 0.001 0.000 0.246 154 V C 2.590 178.495 176.094 -0.315 0.000 1.047 154 V CA 2.603 64.616 62.300 -0.477 0.000 1.035 154 V CB -0.887 30.559 31.823 -0.630 0.000 0.658 154 V HN 0.611 nan 8.190 nan 0.000 0.452 155 T N 0.399 114.814 114.554 -0.233 0.000 2.720 155 T HA -0.198 4.153 4.350 0.001 0.000 0.268 155 T C 2.060 176.669 174.700 -0.152 0.000 1.037 155 T CA 1.652 63.661 62.100 -0.152 0.000 1.144 155 T CB -0.444 68.357 68.868 -0.111 0.000 0.864 155 T HN 0.580 nan 8.240 nan 0.000 0.444 156 A N 1.338 124.046 122.820 -0.187 0.000 1.865 156 A HA -0.032 4.289 4.320 0.001 0.000 0.217 156 A C 2.313 179.770 177.584 -0.211 0.000 1.191 156 A CA 1.370 53.301 52.037 -0.175 0.000 0.623 156 A CB -0.938 17.951 19.000 -0.185 0.000 0.826 156 A HN 0.482 nan 8.150 nan 0.000 0.444 157 L N -0.826 120.195 121.223 -0.337 0.000 2.131 157 L HA -0.165 4.175 4.340 0.001 0.000 0.210 157 L C 2.935 179.663 176.870 -0.237 0.000 1.092 157 L CA 0.893 55.426 54.840 -0.512 0.000 0.759 157 L CB -0.450 40.968 42.059 -1.068 0.000 0.903 157 L HN 0.443 nan 8.230 nan 0.000 0.435 158 A N -0.067 122.670 122.820 -0.139 0.000 2.172 158 A HA -0.033 4.288 4.320 0.001 0.000 0.216 158 A C 2.146 179.739 177.584 0.016 0.000 1.154 158 A CA 1.380 53.420 52.037 0.006 0.000 0.701 158 A CB -0.705 18.286 19.000 -0.015 0.000 0.789 158 A HN 0.444 nan 8.150 nan 0.000 0.465 159 G N -1.039 107.744 108.800 -0.028 0.000 3.088 159 G HA2 0.371 4.332 3.960 0.001 0.000 0.217 159 G HA3 0.371 4.332 3.960 0.001 0.000 0.217 159 G C 0.456 175.356 174.900 -0.000 0.000 1.159 159 G CA -0.390 44.702 45.100 -0.014 0.000 0.760 159 G HN 0.371 nan 8.290 nan 0.000 0.550 160 L N 1.477 122.708 121.223 0.013 0.000 2.461 160 L HA 0.318 4.659 4.340 0.001 0.000 0.272 160 L C 0.435 177.361 176.870 0.093 0.000 1.197 160 L CA 0.066 54.937 54.840 0.052 0.000 0.836 160 L CB 0.803 42.923 42.059 0.101 0.000 1.105 160 L HN 0.179 nan 8.230 nan 0.000 0.477 161 K N 1.833 122.273 120.400 0.067 0.000 2.522 161 K HA 0.793 5.114 4.320 0.001 0.000 0.275 161 K C -0.052 176.576 176.600 0.046 0.000 1.006 161 K CA 0.028 56.351 56.287 0.060 0.000 0.890 161 K CB 1.690 34.210 32.500 0.034 0.000 1.475 161 K HN 0.688 nan 8.250 nan 0.000 0.441 162 G N 1.668 110.492 108.800 0.041 0.000 2.496 162 G HA2 -0.309 3.652 3.960 0.001 0.000 0.243 162 G HA3 -0.309 3.652 3.960 0.001 0.000 0.243 162 G C 0.216 175.139 174.900 0.039 0.000 1.176 162 G CA 0.549 45.666 45.100 0.029 0.000 0.940 162 G HN 0.867 nan 8.290 nan 0.000 0.573 163 D N 0.845 121.261 120.400 0.026 0.000 2.363 163 D HA 0.062 4.703 4.640 0.001 0.000 0.220 163 D C 2.186 178.518 176.300 0.054 0.000 0.994 163 D CA 0.842 54.863 54.000 0.034 0.000 0.890 163 D CB 0.099 40.909 40.800 0.016 0.000 0.906 163 D HN 0.450 nan 8.370 nan 0.000 0.530 164 L N 0.919 122.179 121.223 0.062 0.000 2.640 164 L HA 0.099 4.440 4.340 0.001 0.000 0.230 164 L C 1.072 178.135 176.870 0.322 0.000 1.123 164 L CA -0.253 54.666 54.840 0.133 0.000 0.900 164 L CB 0.232 42.293 42.059 0.004 0.000 1.146 164 L HN -0.000 nan 8.230 nan 0.000 0.484 165 S N -0.793 115.039 115.700 0.220 0.000 2.617 165 S HA 0.760 5.231 4.470 0.001 0.000 0.269 165 S C 0.140 174.831 174.600 0.151 0.000 1.292 165 S CA 0.145 58.501 58.200 0.260 0.000 1.010 165 S CB 2.292 65.579 63.200 0.146 0.000 0.944 165 S HN 0.208 nan 8.310 nan 0.000 0.536 166 G N 1.095 109.950 108.800 0.091 0.000 2.450 166 G HA2 0.553 4.513 3.960 0.001 0.000 0.273 166 G HA3 0.553 4.513 3.960 0.001 0.000 0.273 166 G C -1.665 173.056 174.900 -0.299 0.000 1.221 166 G CA -0.479 44.446 45.100 -0.291 0.000 0.900 166 G HN 1.043 nan 8.290 nan 0.000 0.483 167 K N -1.726 118.274 120.400 -0.667 0.000 2.495 167 K HA 0.741 5.062 4.320 0.001 0.000 0.268 167 K C -2.070 174.261 176.600 -0.448 0.000 1.008 167 K CA -1.011 55.017 56.287 -0.432 0.000 0.882 167 K CB 2.536 34.766 32.500 -0.449 0.000 1.443 167 K HN 0.608 nan 8.250 nan 0.000 0.447 168 Y N 0.956 121.069 120.300 -0.312 0.000 2.409 168 Y HA 0.458 5.008 4.550 0.001 0.000 0.343 168 Y C -1.890 173.832 175.900 -0.297 0.000 0.973 168 Y CA -0.929 57.121 58.100 -0.083 0.000 1.064 168 Y CB 1.456 40.019 38.460 0.171 0.000 1.207 168 Y HN 0.558 nan 8.280 nan 0.000 0.452 169 Y N 3.119 123.112 120.300 -0.512 0.000 2.328 169 Y HA 0.416 4.967 4.550 0.001 0.000 0.336 169 Y C 0.102 175.581 175.900 -0.702 0.000 0.960 169 Y CA -0.861 56.972 58.100 -0.444 0.000 1.134 169 Y CB 2.036 40.376 38.460 -0.200 0.000 1.166 169 Y HN 0.556 nan 8.280 nan 0.000 0.464 170 S N 4.241 119.718 115.700 -0.370 0.000 2.430 170 S HA 0.254 4.725 4.470 0.001 0.000 0.289 170 S C 1.202 175.702 174.600 -0.168 0.000 1.143 170 S CA -0.596 57.425 58.200 -0.298 0.000 1.067 170 S CB 0.230 63.351 63.200 -0.132 0.000 0.964 170 S HN 0.837 nan 8.310 nan 0.000 0.485 171 L N 4.015 125.125 121.223 -0.190 0.000 2.197 171 L HA -0.122 4.218 4.340 0.001 0.000 0.215 171 L C 2.719 179.516 176.870 -0.123 0.000 1.095 171 L CA 1.827 56.556 54.840 -0.184 0.000 0.764 171 L CB -0.950 40.955 42.059 -0.257 0.000 0.897 171 L HN 0.730 nan 8.230 nan 0.000 0.436 172 T N -1.042 113.446 114.554 -0.110 0.000 2.942 172 T HA -0.033 4.318 4.350 0.001 0.000 0.265 172 T C 0.918 175.592 174.700 -0.044 0.000 1.062 172 T CA 0.723 62.778 62.100 -0.075 0.000 1.139 172 T CB 0.064 68.892 68.868 -0.067 0.000 0.883 172 T HN 0.237 nan 8.240 nan 0.000 0.468 173 N N 1.850 120.525 118.700 -0.042 0.000 2.726 173 N HA 0.283 5.024 4.740 0.001 0.000 0.253 173 N C -1.063 174.437 175.510 -0.018 0.000 1.530 173 N CA -0.176 52.861 53.050 -0.023 0.000 0.772 173 N CB 1.224 39.704 38.487 -0.012 0.000 1.220 173 N HN 0.622 nan 8.380 nan 0.000 0.508 174 M N -0.816 118.772 119.600 -0.020 0.000 2.465 174 M HA 0.595 5.076 4.480 0.001 0.000 0.316 174 M C 0.165 176.462 176.300 -0.005 0.000 1.121 174 M CA -0.664 54.635 55.300 -0.002 0.000 0.934 174 M CB 1.905 34.503 32.600 -0.004 0.000 1.692 174 M HN 0.077 nan 8.290 nan 0.000 0.444 175 S N 1.273 116.978 115.700 0.010 0.000 2.576 175 S HA 0.129 4.600 4.470 0.001 0.000 0.272 175 S C 0.502 175.095 174.600 -0.012 0.000 1.352 175 S CA -0.061 58.141 58.200 0.003 0.000 1.021 175 S CB 0.683 63.891 63.200 0.013 0.000 0.887 175 S HN 0.906 nan 8.310 nan 0.000 0.542 176 E N 0.504 120.696 120.200 -0.014 0.000 2.209 176 E HA -0.162 4.188 4.350 0.001 0.000 0.196 176 E C 2.208 178.791 176.600 -0.029 0.000 0.993 176 E CA 0.896 57.282 56.400 -0.023 0.000 0.819 176 E CB -0.072 29.618 29.700 -0.018 0.000 0.745 176 E HN 0.634 nan 8.360 nan 0.000 0.477 177 R N 0.850 121.338 120.500 -0.020 0.000 2.062 177 R HA -0.159 4.182 4.340 0.001 0.000 0.231 177 R C 1.358 177.634 176.300 -0.039 0.000 1.136 177 R CA 1.783 57.870 56.100 -0.023 0.000 0.948 177 R CB -0.046 30.250 30.300 -0.005 0.000 0.845 177 R HN 0.083 nan 8.270 nan 0.000 0.430 178 D N 0.357 120.741 120.400 -0.027 0.000 2.158 178 D HA -0.222 4.419 4.640 0.001 0.000 0.197 178 D C 1.823 178.029 176.300 -0.156 0.000 0.995 178 D CA 1.170 55.125 54.000 -0.074 0.000 0.846 178 D CB -0.172 40.636 40.800 0.013 0.000 0.941 178 D HN 0.377 nan 8.370 nan 0.000 0.456 179 Q N -0.043 119.694 119.800 -0.105 0.000 1.967 179 Q HA -0.248 4.093 4.340 0.001 0.000 0.202 179 Q C 2.118 178.052 176.000 -0.109 0.000 0.985 179 Q CA 1.585 57.322 55.803 -0.111 0.000 0.839 179 Q CB -0.041 28.653 28.738 -0.074 0.000 0.906 179 Q HN 0.043 nan 8.270 nan 0.000 0.423 180 Q N 0.131 119.880 119.800 -0.085 0.000 2.096 180 Q HA -0.218 4.123 4.340 0.001 0.000 0.204 180 Q C 2.004 177.936 176.000 -0.114 0.000 0.982 180 Q CA 1.804 57.558 55.803 -0.082 0.000 0.850 180 Q CB -0.272 28.429 28.738 -0.061 0.000 0.901 180 Q HN 0.360 nan 8.270 nan 0.000 0.422 181 Q N -0.204 119.521 119.800 -0.125 0.000 2.096 181 Q HA -0.127 4.214 4.340 0.001 0.000 0.204 181 Q C 2.019 177.886 176.000 -0.221 0.000 0.982 181 Q CA 1.479 57.189 55.803 -0.156 0.000 0.850 181 Q CB -0.214 28.451 28.738 -0.123 0.000 0.901 181 Q HN 0.515 nan 8.270 nan 0.000 0.422 182 L N -0.006 121.086 121.223 -0.218 0.000 2.291 182 L HA -0.108 4.233 4.340 0.001 0.000 0.214 182 L C 2.272 179.058 176.870 -0.140 0.000 1.120 182 L CA 0.349 55.075 54.840 -0.191 0.000 0.799 182 L CB -0.210 41.741 42.059 -0.181 0.000 0.925 182 L HN 0.183 nan 8.230 nan 0.000 0.446 183 I N -0.587 119.905 120.570 -0.130 0.000 2.406 183 I HA -0.210 3.960 4.170 0.001 0.000 0.249 183 I C 1.949 177.958 176.117 -0.181 0.000 1.122 183 I CA 0.926 62.182 61.300 -0.073 0.000 1.431 183 I CB -0.267 37.707 38.000 -0.044 0.000 1.087 183 I HN 0.221 nan 8.210 nan 0.000 0.424 184 D N 0.963 121.196 120.400 -0.278 0.000 2.123 184 D HA -0.153 4.488 4.640 0.001 0.000 0.200 184 D C 1.584 177.419 176.300 -0.774 0.000 0.976 184 D CA 1.194 54.946 54.000 -0.414 0.000 0.831 184 D CB -0.284 40.359 40.800 -0.262 0.000 0.974 184 D HN 0.278 nan 8.370 nan 0.000 0.469 185 D N 0.168 120.161 120.400 -0.680 0.000 2.264 185 D HA -0.110 4.530 4.640 0.001 0.000 0.208 185 D C 0.151 175.957 176.300 -0.823 0.000 0.966 185 D CA 0.708 54.164 54.000 -0.905 0.000 0.864 185 D CB -0.071 39.939 40.800 -1.315 0.000 0.933 185 D HN 0.322 nan 8.370 nan 0.000 0.499 186 H N -1.590 117.358 119.070 -0.203 0.000 2.882 186 H HA -0.171 4.386 4.556 0.001 0.000 0.314 186 H C 0.262 175.841 175.328 0.418 0.000 1.270 186 H CA 0.264 56.360 56.048 0.080 0.000 1.165 186 H CB -2.043 27.780 29.762 0.102 0.000 1.436 186 H HN 0.202 nan 8.280 nan 0.000 0.431 187 F N -0.720 119.378 119.950 0.246 0.000 2.720 187 F HA 0.214 4.742 4.527 0.002 0.000 0.301 187 F C 1.344 177.456 175.800 0.521 0.000 1.103 187 F CA -0.487 57.760 58.000 0.411 0.000 1.291 187 F CB 0.298 39.451 39.000 0.254 0.000 1.086 187 F HN 0.091 nan 8.300 nan 0.000 0.592 188 L N 1.345 122.808 121.223 0.400 0.000 2.417 188 L HA 0.347 4.688 4.340 0.001 0.000 0.268 188 L C -0.320 176.543 176.870 -0.012 0.000 1.158 188 L CA -0.409 54.466 54.840 0.059 0.000 0.819 188 L CB 0.283 42.322 42.059 -0.033 0.000 1.112 188 L HN 0.034 nan 8.230 nan 0.000 0.458 189 F N 1.732 121.488 119.950 -0.324 0.000 2.640 189 F HA 0.855 5.383 4.527 0.002 0.000 0.324 189 F C -0.706 175.019 175.800 -0.126 0.000 1.077 189 F CA -0.946 56.836 58.000 -0.363 0.000 0.965 189 F CB 1.363 39.850 39.000 -0.856 0.000 1.351 189 F HN 0.620 nan 8.300 nan 0.000 0.487 190 D N -0.573 119.875 120.400 0.080 0.000 2.825 190 D HA 0.158 4.798 4.640 0.001 0.000 0.327 190 D C -1.472 174.589 176.300 -0.398 0.000 1.277 190 D CA -0.828 53.204 54.000 0.054 0.000 0.950 190 D CB 1.500 42.275 40.800 -0.042 0.000 1.438 190 D HN 0.747 nan 8.370 nan 0.000 0.526 191 K N 0.813 120.533 120.400 -1.134 0.000 2.477 191 K HA 0.031 4.352 4.320 0.001 0.000 0.275 191 K C -2.090 174.033 176.600 -0.794 0.000 1.054 191 K CA -0.466 54.749 56.287 -1.786 0.000 1.135 191 K CB -0.231 31.481 32.500 -1.314 0.000 0.854 191 K HN 0.171 nan 8.250 nan 0.000 0.484 192 P HA -0.114 nan 4.420 nan 0.000 0.268 192 P C 0.313 177.489 177.300 -0.206 0.000 1.208 192 P CA -0.136 62.801 63.100 -0.270 0.000 0.777 192 P CB 0.617 32.226 31.700 -0.151 0.000 0.875 193 V N -1.510 118.329 119.914 -0.125 0.000 3.539 193 V HA 0.138 4.259 4.120 0.001 0.000 0.262 193 V C 0.878 176.940 176.094 -0.055 0.000 1.381 193 V CA 0.241 62.486 62.300 -0.092 0.000 1.060 193 V CB -0.359 31.413 31.823 -0.084 0.000 0.842 193 V HN 0.516 nan 8.190 nan 0.000 0.445 194 S N 3.991 119.666 115.700 -0.041 0.000 2.546 194 S HA 0.147 4.618 4.470 0.001 0.000 0.290 194 S C -0.442 174.149 174.600 -0.016 0.000 1.262 194 S CA -0.277 57.910 58.200 -0.022 0.000 1.083 194 S CB 0.811 64.005 63.200 -0.010 0.000 0.859 194 S HN 0.476 nan 8.310 nan 0.000 0.495 195 P HA -0.132 nan 4.420 nan 0.000 0.221 195 P C 1.419 178.721 177.300 0.004 0.000 1.145 195 P CA 0.971 64.067 63.100 -0.006 0.000 0.795 195 P CB 0.004 31.699 31.700 -0.008 0.000 0.775 196 L N -1.807 119.420 121.223 0.006 0.000 2.083 196 L HA -0.173 4.168 4.340 0.001 0.000 0.209 196 L C 2.464 179.349 176.870 0.025 0.000 1.083 196 L CA 1.146 55.995 54.840 0.017 0.000 0.752 196 L CB -0.766 41.304 42.059 0.019 0.000 0.899 196 L HN -0.009 nan 8.230 nan 0.000 0.433 197 L N -1.067 120.168 121.223 0.020 0.000 2.200 197 L HA -0.054 4.287 4.340 0.001 0.000 0.200 197 L C 2.808 179.697 176.870 0.032 0.000 1.072 197 L CA 1.914 56.771 54.840 0.030 0.000 0.787 197 L CB -0.878 41.194 42.059 0.021 0.000 0.957 197 L HN 0.320 nan 8.230 nan 0.000 0.459 198 T N -4.553 110.010 114.554 0.014 0.000 2.867 198 T HA -0.193 4.158 4.350 0.001 0.000 0.268 198 T C 1.910 176.626 174.700 0.027 0.000 1.057 198 T CA 1.210 63.320 62.100 0.016 0.000 1.136 198 T CB -1.134 67.728 68.868 -0.009 0.000 0.874 198 T HN 0.278 nan 8.240 nan 0.000 0.466 199 C N 1.631 120.944 119.300 0.022 0.000 2.491 199 C HA 0.575 5.036 4.460 0.001 0.000 0.277 199 C C 2.759 177.771 174.990 0.036 0.000 1.455 199 C CA 0.017 59.049 59.018 0.024 0.000 1.758 199 C CB -1.647 26.101 27.740 0.014 0.000 1.745 199 C HN 0.753 nan 8.230 nan 0.000 0.558 200 A N -0.468 122.382 122.820 0.049 0.000 2.379 200 A HA 0.484 4.805 4.320 0.001 0.000 0.236 200 A C 1.502 179.142 177.584 0.093 0.000 1.272 200 A CA 0.829 52.910 52.037 0.073 0.000 0.886 200 A CB -0.598 18.446 19.000 0.074 0.000 0.962 200 A HN 1.036 nan 8.150 nan 0.000 0.504 201 G N -0.429 108.420 108.800 0.081 0.000 2.246 201 G HA2 -0.269 3.691 3.960 0.001 0.000 0.273 201 G HA3 -0.269 3.691 3.960 0.001 0.000 0.273 201 G C 0.472 175.435 174.900 0.106 0.000 1.055 201 G CA 0.604 45.761 45.100 0.095 0.000 0.851 201 G HN 0.435 nan 8.290 nan 0.000 0.500 202 M N -0.566 119.096 119.600 0.103 0.000 2.383 202 M HA 0.379 4.860 4.480 0.001 0.000 0.247 202 M C 1.812 178.229 176.300 0.195 0.000 1.117 202 M CA 0.881 56.257 55.300 0.128 0.000 0.995 202 M CB 0.700 33.362 32.600 0.103 0.000 1.480 202 M HN 0.544 nan 8.290 nan 0.000 0.485 203 A N 0.319 123.246 122.820 0.179 0.000 2.538 203 A HA 0.331 4.652 4.320 0.001 0.000 0.269 203 A C 0.382 178.137 177.584 0.286 0.000 1.231 203 A CA -0.446 51.743 52.037 0.254 0.000 0.948 203 A CB 0.156 19.201 19.000 0.074 0.000 1.110 203 A HN 0.286 nan 8.150 nan 0.000 0.529 204 R N 1.469 122.096 120.500 0.212 0.000 2.643 204 R HA 0.262 4.603 4.340 0.001 0.000 0.270 204 R C -0.304 176.101 176.300 0.175 0.000 1.061 204 R CA 0.370 56.569 56.100 0.165 0.000 1.107 204 R CB 0.110 30.482 30.300 0.120 0.000 0.999 204 R HN 0.357 nan 8.270 nan 0.000 0.460 205 D N -0.216 120.269 120.400 0.141 0.000 2.911 205 D HA -0.248 4.393 4.640 0.001 0.000 0.227 205 D C -0.714 175.647 176.300 0.102 0.000 1.164 205 D CA 0.810 54.870 54.000 0.100 0.000 0.782 205 D CB -0.733 40.098 40.800 0.052 0.000 1.094 205 D HN 0.528 nan 8.370 nan 0.000 0.425 206 W N 2.069 123.390 121.300 0.036 0.000 2.210 206 W HA 0.160 4.820 4.660 0.001 0.000 0.330 206 W C -1.509 175.024 176.519 0.023 0.000 1.334 206 W CA -0.784 56.583 57.345 0.037 0.000 1.227 206 W CB 0.533 30.014 29.460 0.035 0.000 1.178 206 W HN -0.007 nan 8.180 nan 0.000 0.560 207 P HA 0.016 nan 4.420 nan 0.000 0.276 207 P C -0.094 176.866 177.300 -0.568 0.000 1.585 207 P CA -0.038 62.460 63.100 -1.004 0.000 1.162 207 P CB -0.037 31.324 31.700 -0.566 0.000 1.556 208 D N 1.734 121.955 120.400 -0.298 0.000 2.586 208 D HA -0.010 4.631 4.640 0.001 0.000 0.234 208 D C 0.826 177.020 176.300 -0.176 0.000 1.132 208 D CA 1.272 55.171 54.000 -0.169 0.000 0.860 208 D CB 0.513 41.262 40.800 -0.084 0.000 1.159 208 D HN 0.232 nan 8.370 nan 0.000 0.490 209 A N 3.307 126.061 122.820 -0.110 0.000 2.861 209 A HA -0.243 4.078 4.320 0.001 0.000 0.261 209 A C 0.395 177.948 177.584 -0.053 0.000 1.351 209 A CA 1.164 53.167 52.037 -0.056 0.000 0.904 209 A CB -1.080 17.891 19.000 -0.049 0.000 1.076 209 A HN 0.678 nan 8.150 nan 0.000 0.729 210 R N -0.332 120.081 120.500 -0.144 0.000 2.596 210 R HA 0.767 5.107 4.340 0.001 0.000 0.267 210 R C 0.481 176.812 176.300 0.050 0.000 1.026 210 R CA 0.132 56.206 56.100 -0.043 0.000 1.087 210 R CB 0.705 30.881 30.300 -0.207 0.000 1.132 210 R HN 1.427 nan 8.270 nan 0.000 0.531 211 G N 0.286 109.221 108.800 0.226 0.000 2.489 211 G HA2 0.457 4.417 3.960 0.001 0.000 0.291 211 G HA3 0.457 4.417 3.960 0.001 0.000 0.291 211 G C -1.616 173.490 174.900 0.344 0.000 1.487 211 G CA -0.784 44.367 45.100 0.084 0.000 0.795 211 G HN 0.304 nan 8.290 nan 0.000 0.513 212 I N 0.197 120.895 120.570 0.212 0.000 2.441 212 I HA 0.633 4.804 4.170 0.001 0.000 0.295 212 I C -0.754 175.735 176.117 0.620 0.000 0.994 212 I CA -0.512 61.107 61.300 0.531 0.000 1.144 212 I CB 2.066 40.340 38.000 0.456 0.000 1.314 212 I HN 0.661 nan 8.210 nan 0.000 0.445 213 W N 7.340 128.922 121.300 0.470 0.000 2.785 213 W HA 0.596 5.257 4.660 0.002 0.000 0.333 213 W C -1.197 175.453 176.519 0.219 0.000 1.062 213 W CA -0.290 57.253 57.345 0.330 0.000 1.233 213 W CB 0.962 30.606 29.460 0.307 0.000 1.413 213 W HN 0.616 nan 8.180 nan 0.000 0.489 214 H N 3.544 122.300 119.070 -0.524 0.000 2.961 214 H HA 0.381 4.938 4.556 0.001 0.000 0.371 214 H C -0.515 174.094 175.328 -1.198 0.000 1.190 214 H CA -1.072 54.541 56.048 -0.725 0.000 1.138 214 H CB 1.175 30.751 29.762 -0.311 0.000 1.816 214 H HN 0.585 nan 8.280 nan 0.000 0.551 215 N N 1.598 119.904 118.700 -0.656 0.000 2.326 215 N HA -0.096 4.645 4.740 0.001 0.000 0.239 215 N C 0.293 175.827 175.510 0.040 0.000 1.301 215 N CA -0.241 52.635 53.050 -0.289 0.000 0.909 215 N CB 0.444 38.983 38.487 0.085 0.000 1.156 215 N HN 0.630 nan 8.380 nan 0.000 0.462 216 N N -0.242 118.482 118.700 0.041 0.000 2.244 216 N HA -0.155 4.586 4.740 0.001 0.000 0.183 216 N C -0.276 175.313 175.510 0.132 0.000 1.016 216 N CA 1.398 54.505 53.050 0.095 0.000 0.866 216 N CB -0.286 38.233 38.487 0.054 0.000 0.980 216 N HN 0.761 nan 8.380 nan 0.000 0.430 217 D N -0.190 120.278 120.400 0.112 0.000 2.587 217 D HA 0.152 4.793 4.640 0.001 0.000 0.233 217 D C -0.481 175.894 176.300 0.125 0.000 1.213 217 D CA -0.315 53.746 54.000 0.102 0.000 0.827 217 D CB -0.153 40.694 40.800 0.078 0.000 1.006 217 D HN -0.072 nan 8.370 nan 0.000 0.490 218 K N -0.447 120.051 120.400 0.164 0.000 3.077 218 K HA -0.197 4.124 4.320 0.001 0.000 0.264 218 K C 0.241 176.980 176.600 0.231 0.000 1.008 218 K CA 1.153 57.569 56.287 0.215 0.000 0.740 218 K CB -2.500 30.115 32.500 0.192 0.000 1.273 218 K HN 0.584 nan 8.250 nan 0.000 0.477 219 T N -3.046 111.626 114.554 0.197 0.000 3.091 219 T HA 0.304 4.655 4.350 0.001 0.000 0.277 219 T C -0.276 174.612 174.700 0.314 0.000 0.996 219 T CA -0.401 61.825 62.100 0.210 0.000 0.897 219 T CB 0.145 69.116 68.868 0.172 0.000 1.109 219 T HN 0.199 nan 8.240 nan 0.000 0.534 220 F N 1.591 121.584 119.950 0.071 0.000 2.671 220 F HA 0.629 5.156 4.527 0.001 0.000 0.332 220 F C -1.423 174.441 175.800 0.107 0.000 1.189 220 F CA -2.023 56.057 58.000 0.133 0.000 0.988 220 F CB 1.522 40.676 39.000 0.257 0.000 1.258 220 F HN 0.042 nan 8.300 nan 0.000 0.471 221 L N 6.213 127.292 121.223 -0.241 0.000 2.317 221 L HA 0.757 5.098 4.340 0.001 0.000 0.281 221 L C -1.252 175.445 176.870 -0.287 0.000 1.024 221 L CA -0.940 53.722 54.840 -0.297 0.000 0.810 221 L CB 1.913 43.640 42.059 -0.553 0.000 1.240 221 L HN 0.323 nan 8.230 nan 0.000 0.427 222 V N 2.926 122.874 119.914 0.056 0.000 2.483 222 V HA 0.358 4.479 4.120 0.001 0.000 0.297 222 V C -1.148 175.153 176.094 0.344 0.000 1.027 222 V CA -0.589 61.738 62.300 0.045 0.000 0.855 222 V CB 1.949 33.779 31.823 0.011 0.000 0.995 222 V HN 0.585 nan 8.190 nan 0.000 0.424 223 W N 5.564 126.915 121.300 0.086 0.000 2.314 223 W HA 0.616 5.276 4.660 0.001 0.000 0.310 223 W C -0.217 176.348 176.519 0.076 0.000 1.075 223 W CA -1.522 55.913 57.345 0.149 0.000 1.253 223 W CB 1.233 30.670 29.460 -0.037 0.000 1.238 223 W HN 0.343 nan 8.180 nan 0.000 0.440 224 I N 5.574 126.386 120.570 0.404 0.000 2.304 224 I HA 0.066 4.237 4.170 0.001 0.000 0.291 224 I C 0.397 176.615 176.117 0.168 0.000 1.018 224 I CA -0.281 61.158 61.300 0.232 0.000 1.260 224 I CB 0.601 38.741 38.000 0.234 0.000 1.390 224 I HN 0.429 nan 8.210 nan 0.000 0.475 225 N N 3.585 122.342 118.700 0.095 0.000 2.869 225 N HA -0.174 4.566 4.740 0.001 0.000 0.249 225 N C 0.750 176.280 175.510 0.033 0.000 1.104 225 N CA 0.873 53.964 53.050 0.068 0.000 0.760 225 N CB -0.602 37.905 38.487 0.034 0.000 1.108 225 N HN 0.735 nan 8.380 nan 0.000 0.555 226 E N 1.160 121.331 120.200 -0.049 0.000 2.179 226 E HA -0.067 4.284 4.350 0.001 0.000 0.236 226 E C 0.927 177.560 176.600 0.056 0.000 0.843 226 E CA 0.973 57.311 56.400 -0.104 0.000 1.245 226 E CB 0.021 29.354 29.700 -0.611 0.000 1.113 226 E HN 0.526 nan 8.360 nan 0.000 0.548 227 E N 0.491 120.703 120.200 0.019 0.000 2.423 227 E HA 0.200 4.551 4.350 0.001 0.000 0.198 227 E C -0.789 175.829 176.600 0.030 0.000 1.038 227 E CA -0.187 56.243 56.400 0.050 0.000 1.011 227 E CB 0.510 30.239 29.700 0.049 0.000 1.118 227 E HN 0.033 nan 8.360 nan 0.000 0.451 228 D N -1.258 119.156 120.400 0.023 0.000 2.884 228 D HA 0.022 4.663 4.640 0.001 0.000 0.255 228 D C 0.052 176.380 176.300 0.047 0.000 1.142 228 D CA -0.555 53.439 54.000 -0.010 0.000 0.726 228 D CB 0.547 41.337 40.800 -0.017 0.000 1.436 228 D HN -0.039 nan 8.370 nan 0.000 0.441 229 H N 0.365 119.423 119.070 -0.021 0.000 2.292 229 H HA -0.080 4.477 4.556 0.001 0.000 0.292 229 H C 0.781 176.084 175.328 -0.040 0.000 1.100 229 H CA 2.217 58.244 56.048 -0.035 0.000 1.238 229 H CB -0.012 29.725 29.762 -0.043 0.000 1.355 229 H HN 0.460 nan 8.280 nan 0.000 0.484 230 T N -0.997 113.601 114.554 0.073 0.000 2.912 230 T HA 0.621 4.972 4.350 0.001 0.000 0.299 230 T C -0.366 174.313 174.700 -0.036 0.000 1.052 230 T CA -1.202 60.900 62.100 0.002 0.000 0.996 230 T CB 2.889 71.714 68.868 -0.071 0.000 1.070 230 T HN -0.059 nan 8.240 nan 0.000 0.465 231 R N 2.209 122.704 120.500 -0.008 0.000 2.288 231 R HA 0.581 4.922 4.340 0.001 0.000 0.326 231 R C -0.874 175.332 176.300 -0.155 0.000 0.959 231 R CA -0.764 55.295 56.100 -0.068 0.000 0.834 231 R CB 1.426 31.709 30.300 -0.028 0.000 1.157 231 R HN 0.656 nan 8.270 nan 0.000 0.470 232 V N 5.555 125.355 119.914 -0.190 0.000 2.481 232 V HA 0.527 4.647 4.120 0.001 0.000 0.286 232 V C 0.569 176.546 176.094 -0.195 0.000 1.042 232 V CA -0.518 61.611 62.300 -0.285 0.000 0.928 232 V CB 1.680 33.314 31.823 -0.314 0.000 0.986 232 V HN 0.537 nan 8.190 nan 0.000 0.462 233 I N 3.291 123.675 120.570 -0.309 0.000 2.534 233 I HA 0.381 4.552 4.170 0.001 0.000 0.288 233 I C -0.375 175.736 176.117 -0.011 0.000 1.077 233 I CA -0.285 60.935 61.300 -0.133 0.000 1.051 233 I CB 2.224 40.058 38.000 -0.278 0.000 1.234 233 I HN 0.586 nan 8.210 nan 0.000 0.425 234 S N 8.607 124.476 115.700 0.282 0.000 2.474 234 S HA 0.754 5.225 4.470 0.001 0.000 0.321 234 S C -0.548 174.166 174.600 0.191 0.000 1.080 234 S CA -0.650 57.786 58.200 0.393 0.000 1.106 234 S CB 0.668 64.213 63.200 0.575 0.000 0.984 234 S HN 0.622 nan 8.310 nan 0.000 0.464 235 M N 3.754 123.449 119.600 0.159 0.000 2.550 235 M HA 0.669 5.150 4.480 0.001 0.000 0.292 235 M C -1.627 174.752 176.300 0.131 0.000 1.221 235 M CA -0.414 54.950 55.300 0.108 0.000 0.873 235 M CB 1.842 34.482 32.600 0.067 0.000 1.727 235 M HN 0.695 nan 8.290 nan 0.000 0.459 236 E N 1.577 121.844 120.200 0.112 0.000 2.390 236 E HA 0.438 4.789 4.350 0.001 0.000 0.277 236 E C -1.734 174.928 176.600 0.104 0.000 0.939 236 E CA -0.688 55.780 56.400 0.113 0.000 0.769 236 E CB 3.339 33.104 29.700 0.109 0.000 1.251 236 E HN 0.791 nan 8.360 nan 0.000 0.450 237 K N 0.650 121.111 120.400 0.101 0.000 2.168 237 K HA 0.515 4.836 4.320 0.001 0.000 0.258 237 K C 0.368 177.029 176.600 0.103 0.000 1.010 237 K CA 1.058 57.404 56.287 0.099 0.000 0.929 237 K CB 0.891 33.444 32.500 0.087 0.000 0.998 237 K HN 0.723 nan 8.250 nan 0.000 0.479 238 G N 0.589 109.455 108.800 0.111 0.000 2.488 238 G HA2 -0.170 3.791 3.960 0.001 0.000 0.237 238 G HA3 -0.170 3.791 3.960 0.001 0.000 0.237 238 G C 0.265 175.268 174.900 0.172 0.000 1.209 238 G CA -0.237 44.938 45.100 0.124 0.000 0.929 238 G HN 0.929 nan 8.290 nan 0.000 0.578 239 G N -0.670 108.249 108.800 0.197 0.000 5.129 239 G HA2 0.375 4.336 3.960 0.001 0.000 0.253 239 G HA3 0.375 4.336 3.960 0.001 0.000 0.253 239 G C 0.108 175.101 174.900 0.153 0.000 0.912 239 G CA 0.894 46.197 45.100 0.339 0.000 0.729 239 G HN 0.857 nan 8.290 nan 0.000 0.373 240 N N 1.547 120.294 118.700 0.078 0.000 3.178 240 N HA 0.090 4.831 4.740 0.001 0.000 0.300 240 N C 1.662 177.156 175.510 -0.027 0.000 1.242 240 N CA -0.418 52.629 53.050 -0.004 0.000 1.192 240 N CB 0.448 38.952 38.487 0.029 0.000 1.463 240 N HN 0.224 nan 8.380 nan 0.000 0.539 241 M N 1.917 121.428 119.600 -0.148 0.000 2.108 241 M HA -0.156 4.325 4.480 0.001 0.000 0.261 241 M C 1.869 178.148 176.300 -0.036 0.000 1.066 241 M CA 1.732 56.969 55.300 -0.105 0.000 1.107 241 M CB -0.154 32.260 32.600 -0.309 0.000 1.356 241 M HN 0.370 nan 8.290 nan 0.000 0.406 242 K N -0.673 119.685 120.400 -0.070 0.000 2.097 242 K HA -0.229 4.092 4.320 0.001 0.000 0.206 242 K C 2.324 178.974 176.600 0.084 0.000 1.049 242 K CA 1.683 57.989 56.287 0.032 0.000 0.933 242 K CB -0.233 32.267 32.500 0.000 0.000 0.717 242 K HN 0.439 nan 8.250 nan 0.000 0.442 243 R N 0.228 120.759 120.500 0.052 0.000 2.073 243 R HA -0.066 4.275 4.340 0.001 0.000 0.229 243 R C 2.066 178.423 176.300 0.094 0.000 1.120 243 R CA 1.195 57.331 56.100 0.060 0.000 0.967 243 R CB -0.164 30.164 30.300 0.046 0.000 0.862 243 R HN 0.050 nan 8.270 nan 0.000 0.436 244 V N 1.050 121.031 119.914 0.111 0.000 2.282 244 V HA -0.278 3.843 4.120 0.001 0.000 0.249 244 V C 2.126 178.360 176.094 0.233 0.000 1.057 244 V CA 2.004 64.394 62.300 0.150 0.000 1.032 244 V CB -0.699 31.197 31.823 0.121 0.000 0.645 244 V HN 0.334 nan 8.190 nan 0.000 0.447 245 F N 0.996 120.958 119.950 0.021 0.000 2.186 245 F HA -0.085 4.443 4.527 0.001 0.000 0.299 245 F C 2.389 178.261 175.800 0.120 0.000 1.090 245 F CA 1.660 59.682 58.000 0.036 0.000 1.307 245 F CB -0.469 38.520 39.000 -0.019 0.000 1.019 245 F HN 0.252 nan 8.300 nan 0.000 0.489 246 E N -0.360 119.871 120.200 0.051 0.000 2.209 246 E HA -0.254 4.096 4.350 0.001 0.000 0.196 246 E C 2.267 178.830 176.600 -0.061 0.000 0.993 246 E CA 1.064 57.420 56.400 -0.074 0.000 0.819 246 E CB -0.125 29.564 29.700 -0.019 0.000 0.745 246 E HN 0.374 nan 8.360 nan 0.000 0.477 247 R N -0.113 120.396 120.500 0.015 0.000 2.112 247 R HA -0.054 4.287 4.340 0.001 0.000 0.216 247 R C 2.119 178.402 176.300 -0.028 0.000 1.080 247 R CA 0.379 56.451 56.100 -0.047 0.000 0.996 247 R CB -0.214 30.068 30.300 -0.030 0.000 0.902 247 R HN 0.107 nan 8.270 nan 0.000 0.449 248 F N 1.083 121.039 119.950 0.010 0.000 2.065 248 F HA -0.318 4.210 4.527 0.001 0.000 0.298 248 F C 1.991 177.806 175.800 0.025 0.000 1.112 248 F CA 1.883 59.981 58.000 0.163 0.000 1.212 248 F CB -0.530 38.632 39.000 0.270 0.000 0.975 248 F HN 0.061 nan 8.300 nan 0.000 0.476 249 C N 0.366 119.703 119.300 0.063 0.000 2.419 249 C HA -0.092 4.369 4.460 0.001 0.000 0.281 249 C C 2.784 177.681 174.990 -0.155 0.000 1.336 249 C CA 1.254 60.184 59.018 -0.146 0.000 1.770 249 C CB -1.512 26.046 27.740 -0.304 0.000 1.929 249 C HN 0.535 nan 8.230 nan 0.000 0.509 250 R N 0.755 121.164 120.500 -0.152 0.000 2.075 250 R HA 0.003 4.344 4.340 0.001 0.000 0.226 250 R C 2.284 178.475 176.300 -0.182 0.000 1.114 250 R CA 1.544 57.551 56.100 -0.155 0.000 0.972 250 R CB -0.517 29.690 30.300 -0.154 0.000 0.869 250 R HN 0.494 nan 8.270 nan 0.000 0.437 251 G N 0.392 109.023 108.800 -0.282 0.000 2.421 251 G HA2 -0.154 3.807 3.960 0.001 0.000 0.217 251 G HA3 -0.154 3.807 3.960 0.001 0.000 0.217 251 G C 1.356 176.244 174.900 -0.021 0.000 1.143 251 G CA 0.202 45.134 45.100 -0.279 0.000 0.784 251 G HN 0.206 nan 8.290 nan 0.000 0.541 252 L N -0.338 120.847 121.223 -0.064 0.000 2.141 252 L HA 0.035 4.376 4.340 0.001 0.000 0.209 252 L C 2.836 179.692 176.870 -0.023 0.000 1.094 252 L CA 0.951 55.743 54.840 -0.078 0.000 0.763 252 L CB -0.097 41.781 42.059 -0.302 0.000 0.908 252 L HN 0.169 nan 8.230 nan 0.000 0.437 253 K N -0.755 119.607 120.400 -0.063 0.000 2.243 253 K HA -0.135 4.186 4.320 0.001 0.000 0.201 253 K C 1.855 178.417 176.600 -0.063 0.000 1.051 253 K CA 0.541 56.795 56.287 -0.054 0.000 0.970 253 K CB 0.243 32.703 32.500 -0.067 0.000 0.755 253 K HN 0.027 nan 8.250 nan 0.000 0.465 254 E N 0.657 120.816 120.200 -0.067 0.000 2.170 254 E HA -0.048 4.303 4.350 0.001 0.000 0.191 254 E C 1.673 178.229 176.600 -0.074 0.000 0.981 254 E CA 0.529 56.887 56.400 -0.070 0.000 0.830 254 E CB 0.160 29.818 29.700 -0.071 0.000 0.775 254 E HN -0.085 nan 8.360 nan 0.000 0.470 255 V N 0.867 120.747 119.914 -0.056 0.000 2.270 255 V HA -0.208 3.913 4.120 0.001 0.000 0.245 255 V C 2.386 178.393 176.094 -0.146 0.000 1.043 255 V CA 2.159 64.418 62.300 -0.067 0.000 1.014 255 V CB -0.488 31.343 31.823 0.013 0.000 0.645 255 V HN 0.387 nan 8.190 nan 0.000 0.447 256 E N 0.209 120.305 120.200 -0.175 0.000 2.118 256 E HA -0.293 4.058 4.350 0.001 0.000 0.195 256 E C 2.409 178.848 176.600 -0.269 0.000 0.992 256 E CA 1.512 57.656 56.400 -0.426 0.000 0.804 256 E CB -0.134 29.379 29.700 -0.312 0.000 0.741 256 E HN 0.457 nan 8.360 nan 0.000 0.458 257 R N 0.127 120.532 120.500 -0.158 0.000 2.073 257 R HA -0.138 4.203 4.340 0.001 0.000 0.234 257 R C 2.345 178.580 176.300 -0.110 0.000 1.134 257 R CA 1.494 57.524 56.100 -0.117 0.000 0.952 257 R CB -0.181 30.068 30.300 -0.085 0.000 0.850 257 R HN 0.252 nan 8.270 nan 0.000 0.433 258 L N 0.903 122.060 121.223 -0.110 0.000 2.313 258 L HA -0.046 4.295 4.340 0.001 0.000 0.214 258 L C 2.315 179.136 176.870 -0.081 0.000 1.119 258 L CA 0.594 55.381 54.840 -0.088 0.000 0.809 258 L CB -0.223 41.784 42.059 -0.086 0.000 0.933 258 L HN 0.352 nan 8.230 nan 0.000 0.449 259 I N -3.175 117.322 120.570 -0.122 0.000 2.406 259 I HA -0.138 4.033 4.170 0.001 0.000 0.249 259 I C 2.323 178.435 176.117 -0.008 0.000 1.122 259 I CA 1.111 62.371 61.300 -0.066 0.000 1.431 259 I CB -0.389 37.521 38.000 -0.151 0.000 1.087 259 I HN 0.032 nan 8.210 nan 0.000 0.424 260 K N 1.044 121.390 120.400 -0.091 0.000 2.209 260 K HA -0.177 4.143 4.320 0.001 0.000 0.204 260 K C 2.080 178.652 176.600 -0.048 0.000 1.048 260 K CA 1.498 57.742 56.287 -0.071 0.000 0.940 260 K CB -0.087 32.350 32.500 -0.105 0.000 0.729 260 K HN 0.472 nan 8.250 nan 0.000 0.451 261 E N 0.315 120.490 120.200 -0.043 0.000 2.150 261 E HA -0.126 4.225 4.350 0.001 0.000 0.193 261 E C 1.466 178.055 176.600 -0.018 0.000 0.985 261 E CA 0.735 57.114 56.400 -0.034 0.000 0.814 261 E CB 0.359 30.037 29.700 -0.036 0.000 0.752 261 E HN 0.116 nan 8.360 nan 0.000 0.466 262 R N -1.345 119.166 120.500 0.018 0.000 2.312 262 R HA 0.153 4.494 4.340 0.001 0.000 0.205 262 R C 1.146 177.446 176.300 -0.000 0.000 0.904 262 R CA 0.817 56.946 56.100 0.047 0.000 1.052 262 R CB 1.290 31.668 30.300 0.130 0.000 1.014 262 R HN 0.288 nan 8.270 nan 0.000 0.503 263 G N 0.012 108.792 108.800 -0.034 0.000 2.205 263 G HA2 -0.173 3.788 3.960 0.001 0.000 0.180 263 G HA3 -0.173 3.788 3.960 0.001 0.000 0.180 263 G C -0.596 174.158 174.900 -0.242 0.000 1.004 263 G CA -0.652 44.339 45.100 -0.183 0.000 0.670 263 G HN 0.175 nan 8.290 nan 0.000 0.496 264 W N 1.326 122.579 121.300 -0.079 0.000 2.512 264 W HA 0.731 5.392 4.660 0.001 0.000 0.335 264 W C 0.558 177.015 176.519 -0.103 0.000 1.088 264 W CA -0.650 56.653 57.345 -0.070 0.000 1.236 264 W CB 0.912 30.329 29.460 -0.071 0.000 1.307 264 W HN 0.103 nan 8.180 nan 0.000 0.567 265 E N 0.880 121.201 120.200 0.202 0.000 2.299 265 E HA 0.461 4.812 4.350 0.001 0.000 0.260 265 E C -1.210 175.520 176.600 0.218 0.000 0.944 265 E CA -1.201 55.253 56.400 0.090 0.000 0.815 265 E CB 1.426 31.185 29.700 0.099 0.000 1.252 265 E HN 0.029 nan 8.360 nan 0.000 0.418 266 F N 1.069 121.122 119.950 0.172 0.000 2.399 266 F HA 0.263 4.790 4.527 0.001 0.000 0.342 266 F C 0.756 176.704 175.800 0.246 0.000 1.106 266 F CA -0.765 57.365 58.000 0.216 0.000 1.196 266 F CB 0.399 39.569 39.000 0.283 0.000 1.163 266 F HN 0.216 nan 8.300 nan 0.000 0.547 267 M N 2.956 122.809 119.600 0.421 0.000 2.246 267 M HA 0.089 4.570 4.480 0.001 0.000 0.350 267 M C -0.985 175.498 176.300 0.305 0.000 1.406 267 M CA 0.760 56.226 55.300 0.277 0.000 1.089 267 M CB 0.329 33.031 32.600 0.169 0.000 1.782 267 M HN 0.713 nan 8.290 nan 0.000 0.457 268 W N 5.086 126.376 121.300 -0.017 0.000 3.571 268 W HA 0.435 5.096 4.660 0.001 0.000 0.294 268 W C -1.790 174.629 176.519 -0.167 0.000 1.257 268 W CA -0.558 56.665 57.345 -0.203 0.000 1.206 268 W CB 1.171 30.411 29.460 -0.367 0.000 1.325 268 W HN 0.748 nan 8.180 nan 0.000 0.546 269 N N 1.229 119.274 118.700 -1.091 0.000 2.610 269 N HA 0.306 5.047 4.740 0.001 0.000 0.264 269 N C 0.087 174.676 175.510 -1.535 0.000 1.348 269 N CA -0.383 52.091 53.050 -0.960 0.000 0.819 269 N CB 1.523 39.736 38.487 -0.458 0.000 1.521 269 N HN 0.557 nan 8.380 nan 0.000 0.497 270 E N -0.229 119.443 120.200 -0.880 0.000 2.285 270 E HA -0.141 4.210 4.350 0.001 0.000 0.194 270 E C 1.142 177.506 176.600 -0.394 0.000 0.997 270 E CA 0.704 56.742 56.400 -0.604 0.000 0.845 270 E CB -0.130 29.489 29.700 -0.136 0.000 0.782 270 E HN 0.732 nan 8.360 nan 0.000 0.491 271 R N 0.505 120.796 120.500 -0.347 0.000 2.265 271 R HA 0.205 4.546 4.340 0.001 0.000 0.194 271 R C 1.685 177.869 176.300 -0.192 0.000 0.931 271 R CA 0.347 56.334 56.100 -0.189 0.000 1.032 271 R CB 0.020 30.236 30.300 -0.141 0.000 0.980 271 R HN 0.176 nan 8.270 nan 0.000 0.497 272 L N 0.075 121.041 121.223 -0.429 0.000 2.781 272 L HA 0.401 4.741 4.340 0.001 0.000 0.245 272 L C 0.944 177.366 176.870 -0.747 0.000 1.118 272 L CA 0.186 54.719 54.840 -0.511 0.000 0.918 272 L CB 0.555 42.280 42.059 -0.556 0.000 1.246 272 L HN 0.522 nan 8.230 nan 0.000 0.526 273 G N 0.289 108.519 108.800 -0.951 0.000 2.527 273 G HA2 -0.356 3.604 3.960 0.001 0.000 0.268 273 G HA3 -0.356 3.604 3.960 0.001 0.000 0.268 273 G C -0.522 173.794 174.900 -0.972 0.000 1.175 273 G CA -0.176 44.295 45.100 -1.049 0.000 0.962 273 G HN 0.066 nan 8.290 nan 0.000 0.560 274 Y N 0.883 120.990 120.300 -0.322 0.000 2.539 274 Y HA 0.431 4.982 4.550 0.002 0.000 0.352 274 Y C 1.194 176.955 175.900 -0.231 0.000 1.004 274 Y CA -0.089 57.953 58.100 -0.097 0.000 1.278 274 Y CB 0.872 39.358 38.460 0.044 0.000 1.136 274 Y HN 0.417 nan 8.280 nan 0.000 0.528 275 V N 6.888 126.730 119.914 -0.120 0.000 2.485 275 V HA 0.045 4.166 4.120 0.001 0.000 0.287 275 V C 0.244 176.283 176.094 -0.092 0.000 1.022 275 V CA 0.194 62.363 62.300 -0.219 0.000 1.067 275 V CB -0.169 31.539 31.823 -0.191 0.000 0.967 275 V HN 0.588 nan 8.190 nan 0.000 0.479 276 L N 3.399 124.560 121.223 -0.103 0.000 2.303 276 L HA 0.435 4.776 4.340 0.001 0.000 0.256 276 L C 1.426 178.338 176.870 0.069 0.000 1.034 276 L CA -0.391 54.431 54.840 -0.029 0.000 0.832 276 L CB 2.060 44.099 42.059 -0.032 0.000 1.403 276 L HN 0.590 nan 8.230 nan 0.000 0.419 277 T N -1.936 112.642 114.554 0.041 0.000 2.951 277 T HA -0.082 4.269 4.350 0.001 0.000 0.268 277 T C 0.488 175.280 174.700 0.153 0.000 1.073 277 T CA 0.539 62.682 62.100 0.072 0.000 1.134 277 T CB -0.058 68.806 68.868 -0.007 0.000 0.884 277 T HN 0.434 nan 8.240 nan 0.000 0.479 278 C N 2.301 121.689 119.300 0.148 0.000 2.303 278 C HA 0.614 5.075 4.460 0.001 0.000 0.326 278 C C -1.282 173.853 174.990 0.241 0.000 1.285 278 C CA -2.041 57.089 59.018 0.186 0.000 1.675 278 C CB 1.260 29.075 27.740 0.125 0.000 2.289 278 C HN 0.329 nan 8.230 nan 0.000 0.512 279 P HA -0.152 nan 4.420 nan 0.000 0.217 279 P C 1.573 179.090 177.300 0.362 0.000 1.148 279 P CA 1.972 65.308 63.100 0.393 0.000 0.828 279 P CB 0.050 32.036 31.700 0.477 0.000 0.783 280 S N -2.024 113.841 115.700 0.274 0.000 2.507 280 S HA -0.068 4.403 4.470 0.001 0.000 0.235 280 S C 1.310 176.100 174.600 0.317 0.000 0.988 280 S CA 0.905 59.261 58.200 0.261 0.000 0.944 280 S CB -0.906 62.353 63.200 0.098 0.000 0.762 280 S HN 0.095 nan 8.310 nan 0.000 0.526 281 N N 0.749 119.552 118.700 0.172 0.000 2.275 281 N HA 0.365 5.106 4.740 0.001 0.000 0.236 281 N C -0.437 175.051 175.510 -0.035 0.000 1.154 281 N CA -0.245 52.851 53.050 0.076 0.000 0.866 281 N CB 0.020 38.536 38.487 0.049 0.000 1.093 281 N HN 0.239 nan 8.380 nan 0.000 0.515 282 L N -0.177 120.968 121.223 -0.130 0.000 2.425 282 L HA 0.314 4.655 4.340 0.001 0.000 0.225 282 L C 2.020 178.652 176.870 -0.397 0.000 1.222 282 L CA 1.094 55.744 54.840 -0.317 0.000 0.832 282 L CB -0.813 40.989 42.059 -0.427 0.000 1.238 282 L HN 0.448 nan 8.230 nan 0.000 0.533 283 G N -0.182 108.266 108.800 -0.587 0.000 4.610 283 G HA2 -0.425 3.536 3.960 0.001 0.000 0.323 283 G HA3 -0.425 3.536 3.960 0.001 0.000 0.323 283 G C 0.892 175.603 174.900 -0.315 0.000 1.377 283 G CA 1.518 46.072 45.100 -0.909 0.000 1.023 283 G HN 0.906 nan 8.290 nan 0.000 0.755 284 T N -1.564 112.986 114.554 -0.006 0.000 3.000 284 T HA 0.451 4.802 4.350 0.001 0.000 0.248 284 T C 2.666 177.442 174.700 0.127 0.000 1.034 284 T CA 1.676 63.899 62.100 0.205 0.000 1.060 284 T CB 0.330 69.323 68.868 0.209 0.000 0.983 284 T HN 2.590 nan 8.240 nan 0.000 0.482 285 G N 1.564 110.390 108.800 0.043 0.000 2.212 285 G HA2 -0.246 3.715 3.960 0.001 0.000 0.267 285 G HA3 -0.246 3.715 3.960 0.001 0.000 0.267 285 G C -0.113 174.817 174.900 0.050 0.000 1.002 285 G CA 0.624 45.742 45.100 0.028 0.000 0.729 285 G HN 0.788 nan 8.290 nan 0.000 0.517 286 L N -0.285 120.976 121.223 0.063 0.000 2.289 286 L HA 0.763 5.104 4.340 0.001 0.000 0.285 286 L C 0.551 177.418 176.870 -0.004 0.000 1.049 286 L CA -0.881 53.988 54.840 0.047 0.000 0.804 286 L CB 1.058 43.150 42.059 0.054 0.000 1.195 286 L HN 0.118 nan 8.230 nan 0.000 0.428 287 R N 4.586 125.063 120.500 -0.038 0.000 2.415 287 R HA 0.553 4.894 4.340 0.001 0.000 0.292 287 R C -1.096 175.142 176.300 -0.105 0.000 1.295 287 R CA -0.532 55.535 56.100 -0.055 0.000 1.137 287 R CB 1.257 31.538 30.300 -0.032 0.000 1.135 287 R HN 0.755 nan 8.270 nan 0.000 0.560 288 A N 1.841 124.581 122.820 -0.133 0.000 2.320 288 A HA 0.740 5.061 4.320 0.001 0.000 0.287 288 A C -0.034 177.497 177.584 -0.088 0.000 1.181 288 A CA -0.181 51.763 52.037 -0.155 0.000 0.831 288 A CB 1.221 20.087 19.000 -0.222 0.000 1.102 288 A HN 0.756 nan 8.150 nan 0.000 0.513 289 G N -0.186 108.570 108.800 -0.073 0.000 2.660 289 G HA2 0.706 4.667 3.960 0.001 0.000 0.290 289 G HA3 0.706 4.667 3.960 0.001 0.000 0.290 289 G C -1.075 173.780 174.900 -0.075 0.000 1.432 289 G CA 0.144 45.207 45.100 -0.062 0.000 0.807 289 G HN 1.872 nan 8.290 nan 0.000 0.485 290 V N -2.694 117.166 119.914 -0.092 0.000 2.971 290 V HA 0.649 4.770 4.120 0.001 0.000 0.309 290 V C -1.113 174.971 176.094 -0.016 0.000 1.130 290 V CA -1.344 60.889 62.300 -0.112 0.000 0.964 290 V CB 1.876 33.545 31.823 -0.258 0.000 1.029 290 V HN 0.759 nan 8.190 nan 0.000 0.427 291 H N 2.997 122.067 119.070 0.000 0.000 2.969 291 H HA 0.568 5.124 4.556 0.001 0.000 0.269 291 H C 0.053 175.398 175.328 0.027 0.000 1.223 291 H CA -0.168 55.898 56.048 0.030 0.000 1.400 291 H CB 0.900 30.685 29.762 0.039 0.000 1.500 291 H HN 0.765 nan 8.280 nan 0.000 0.486 292 V N 1.528 121.543 119.914 0.168 0.000 2.617 292 V HA 0.349 4.470 4.120 0.001 0.000 0.298 292 V C 0.611 176.765 176.094 0.100 0.000 1.048 292 V CA -1.167 61.192 62.300 0.099 0.000 0.964 292 V CB 1.865 33.718 31.823 0.050 0.000 1.004 292 V HN 0.416 nan 8.190 nan 0.000 0.466 293 K N 2.998 123.445 120.400 0.080 0.000 2.264 293 K HA 0.627 4.948 4.320 0.001 0.000 0.277 293 K C -0.783 175.828 176.600 0.018 0.000 1.067 293 K CA -0.357 55.945 56.287 0.026 0.000 0.900 293 K CB 0.612 33.096 32.500 -0.026 0.000 1.124 293 K HN 0.758 nan 8.250 nan 0.000 0.469 294 L N 7.128 128.281 121.223 -0.117 0.000 2.861 294 L HA 0.228 4.569 4.340 0.001 0.000 0.290 294 L C -1.733 174.943 176.870 -0.323 0.000 1.346 294 L CA -1.190 53.517 54.840 -0.222 0.000 0.779 294 L CB 1.180 43.017 42.059 -0.369 0.000 1.143 294 L HN 0.526 nan 8.230 nan 0.000 0.548 295 P HA -0.137 nan 4.420 nan 0.000 0.217 295 P C 1.344 178.534 177.300 -0.184 0.000 1.150 295 P CA 1.179 64.176 63.100 -0.171 0.000 0.832 295 P CB 0.476 32.117 31.700 -0.097 0.000 0.787 296 R N -0.446 119.957 120.500 -0.160 0.000 2.055 296 R HA 0.022 4.363 4.340 0.001 0.000 0.228 296 R C 2.421 178.595 176.300 -0.211 0.000 1.143 296 R CA 0.783 56.798 56.100 -0.142 0.000 0.945 296 R CB -1.771 28.475 30.300 -0.091 0.000 0.841 296 R HN 0.089 nan 8.270 nan 0.000 0.429 297 L N 0.473 121.521 121.223 -0.291 0.000 2.191 297 L HA -0.076 4.264 4.340 0.001 0.000 0.212 297 L C 2.057 178.496 176.870 -0.719 0.000 1.103 297 L CA 1.608 56.205 54.840 -0.404 0.000 0.769 297 L CB -0.791 41.020 42.059 -0.413 0.000 0.908 297 L HN 0.178 nan 8.230 nan 0.000 0.438 298 S N -0.991 114.242 115.700 -0.777 0.000 2.368 298 S HA -0.158 4.313 4.470 0.001 0.000 0.225 298 S C 1.952 176.382 174.600 -0.283 0.000 1.030 298 S CA 1.222 58.978 58.200 -0.740 0.000 0.999 298 S CB -0.120 62.744 63.200 -0.559 0.000 0.844 298 S HN 0.391 nan 8.310 nan 0.000 0.459 299 K N 1.548 121.831 120.400 -0.194 0.000 2.305 299 K HA 0.187 4.507 4.320 0.001 0.000 0.199 299 K C 0.521 177.095 176.600 -0.043 0.000 1.047 299 K CA 0.082 56.322 56.287 -0.078 0.000 0.976 299 K CB -0.790 31.671 32.500 -0.065 0.000 0.765 299 K HN 0.413 nan 8.250 nan 0.000 0.474 300 D N 2.500 122.860 120.400 -0.068 0.000 2.425 300 D HA -0.009 4.632 4.640 0.001 0.000 0.247 300 D C -1.691 174.642 176.300 0.054 0.000 1.147 300 D CA -1.310 52.683 54.000 -0.011 0.000 0.879 300 D CB 1.376 42.165 40.800 -0.019 0.000 1.179 300 D HN -0.038 nan 8.370 nan 0.000 0.456 301 P HA 0.080 nan 4.420 nan 0.000 0.253 301 P C 0.448 177.804 177.300 0.094 0.000 1.281 301 P CA 0.224 63.372 63.100 0.080 0.000 0.792 301 P CB 0.292 32.023 31.700 0.052 0.000 1.193 302 R N -2.278 118.288 120.500 0.110 0.000 2.397 302 R HA 0.183 4.524 4.340 0.001 0.000 0.241 302 R C 1.625 178.037 176.300 0.187 0.000 0.914 302 R CA -0.230 55.940 56.100 0.116 0.000 1.071 302 R CB -0.607 29.749 30.300 0.094 0.000 1.116 302 R HN -0.005 nan 8.270 nan 0.000 0.524 303 F N 2.837 122.799 119.950 0.020 0.000 2.043 303 F HA -0.104 4.424 4.527 0.002 0.000 0.297 303 F C -0.993 174.822 175.800 0.025 0.000 1.121 303 F CA 1.124 59.136 58.000 0.019 0.000 1.199 303 F CB -1.088 37.917 39.000 0.008 0.000 0.968 303 F HN -0.089 nan 8.300 nan 0.000 0.478 304 P HA -0.192 nan 4.420 nan 0.000 0.215 304 P C 1.731 178.982 177.300 -0.082 0.000 1.153 304 P CA 1.956 64.991 63.100 -0.109 0.000 0.853 304 P CB -0.112 31.580 31.700 -0.013 0.000 0.788 305 K N -0.612 119.780 120.400 -0.014 0.000 2.217 305 K HA 0.021 4.342 4.320 0.001 0.000 0.202 305 K C 2.025 178.606 176.600 -0.031 0.000 1.051 305 K CA 0.805 57.083 56.287 -0.016 0.000 0.952 305 K CB -0.673 31.833 32.500 0.009 0.000 0.736 305 K HN 0.211 nan 8.250 nan 0.000 0.453 306 I N 0.564 121.129 120.570 -0.007 0.000 2.202 306 I HA -0.287 3.884 4.170 0.001 0.000 0.242 306 I C 2.093 178.154 176.117 -0.093 0.000 1.091 306 I CA 0.526 61.811 61.300 -0.024 0.000 1.368 306 I CB -0.178 37.883 38.000 0.102 0.000 1.058 306 I HN 0.018 nan 8.210 nan 0.000 0.410 307 L N 0.819 121.960 121.223 -0.137 0.000 1.989 307 L HA -0.271 4.070 4.340 0.001 0.000 0.211 307 L C 2.539 179.329 176.870 -0.133 0.000 1.071 307 L CA 1.908 56.632 54.840 -0.192 0.000 0.749 307 L CB -0.935 40.908 42.059 -0.360 0.000 0.890 307 L HN 0.280 nan 8.230 nan 0.000 0.431 308 E N -0.931 119.201 120.200 -0.113 0.000 2.118 308 E HA -0.254 4.097 4.350 0.001 0.000 0.195 308 E C 1.814 178.369 176.600 -0.074 0.000 0.992 308 E CA 1.459 57.811 56.400 -0.080 0.000 0.804 308 E CB 0.057 29.721 29.700 -0.060 0.000 0.741 308 E HN 0.494 nan 8.360 nan 0.000 0.458 309 N N -0.043 118.607 118.700 -0.083 0.000 2.270 309 N HA -0.038 4.703 4.740 0.001 0.000 0.181 309 N C 1.434 176.880 175.510 -0.107 0.000 1.016 309 N CA 0.603 53.600 53.050 -0.088 0.000 0.870 309 N CB 0.079 38.510 38.487 -0.095 0.000 0.979 309 N HN 0.158 nan 8.380 nan 0.000 0.431 310 L N 0.455 121.601 121.223 -0.128 0.000 2.599 310 L HA 0.197 4.537 4.340 0.001 0.000 0.230 310 L C -0.056 176.767 176.870 -0.080 0.000 1.141 310 L CA 0.095 54.858 54.840 -0.130 0.000 0.877 310 L CB -0.110 41.855 42.059 -0.157 0.000 1.009 310 L HN 0.156 nan 8.230 nan 0.000 0.447 311 R N -0.063 120.396 120.500 -0.068 0.000 3.422 311 R HA -0.176 4.165 4.340 0.001 0.000 0.267 311 R C -0.663 175.613 176.300 -0.041 0.000 1.074 311 R CA 0.415 56.488 56.100 -0.044 0.000 0.718 311 R CB -2.545 27.740 30.300 -0.025 0.000 1.157 311 R HN 0.306 nan 8.270 nan 0.000 0.440 312 L N 0.349 121.538 121.223 -0.058 0.000 2.322 312 L HA 0.454 4.795 4.340 0.001 0.000 0.269 312 L C 0.551 177.382 176.870 -0.064 0.000 1.012 312 L CA -0.919 53.890 54.840 -0.052 0.000 0.815 312 L CB 1.773 43.801 42.059 -0.053 0.000 1.295 312 L HN 0.158 nan 8.230 nan 0.000 0.438 313 Q N 0.821 120.592 119.800 -0.048 0.000 2.394 313 Q HA 0.624 4.965 4.340 0.001 0.000 0.273 313 Q C -1.541 174.438 176.000 -0.036 0.000 1.089 313 Q CA -1.145 54.627 55.803 -0.052 0.000 0.812 313 Q CB 2.459 31.180 28.738 -0.029 0.000 1.353 313 Q HN 0.536 nan 8.270 nan 0.000 0.438 314 K N 1.481 121.854 120.400 -0.044 0.000 2.323 314 K HA 0.638 4.959 4.320 0.001 0.000 0.259 314 K C -0.803 175.784 176.600 -0.021 0.000 0.947 314 K CA -0.878 55.417 56.287 0.013 0.000 0.819 314 K CB 2.213 34.755 32.500 0.070 0.000 1.109 314 K HN 0.811 nan 8.250 nan 0.000 0.429 315 R N 1.105 121.586 120.500 -0.031 0.000 2.922 315 R HA 0.577 4.917 4.340 0.001 0.000 0.256 315 R C -0.773 175.443 176.300 -0.141 0.000 1.138 315 R CA -0.850 55.205 56.100 -0.075 0.000 0.995 315 R CB 1.332 31.615 30.300 -0.029 0.000 1.226 315 R HN 0.731 nan 8.270 nan 0.000 0.481 316 G N -0.370 108.347 108.800 -0.139 0.000 2.476 316 G HA2 0.314 4.275 3.960 0.001 0.000 0.286 316 G HA3 0.314 4.275 3.960 0.001 0.000 0.286 316 G C 0.347 175.189 174.900 -0.096 0.000 1.177 316 G CA -0.369 44.627 45.100 -0.174 0.000 0.870 316 G HN 0.635 nan 8.290 nan 0.000 0.528 317 T N 0.246 114.719 114.554 -0.135 0.000 2.770 317 T HA 0.219 4.570 4.350 0.001 0.000 0.258 317 T C 2.188 176.836 174.700 -0.087 0.000 1.039 317 T CA 1.768 63.784 62.100 -0.141 0.000 1.143 317 T CB -0.619 68.078 68.868 -0.285 0.000 0.866 317 T HN 1.671 nan 8.240 nan 0.000 0.428 318 G N 1.388 110.132 108.800 -0.093 0.000 5.353 318 G HA2 -0.184 3.777 3.960 0.001 0.000 0.283 318 G HA3 -0.184 3.777 3.960 0.001 0.000 0.283 318 G C 0.553 175.411 174.900 -0.070 0.000 1.457 318 G CA 0.015 45.074 45.100 -0.067 0.000 0.951 318 G HN 0.958 nan 8.290 nan 0.000 0.731 319 G N 1.279 110.031 108.800 -0.080 0.000 2.356 319 G HA2 0.630 4.590 3.960 0.001 0.000 0.273 319 G HA3 0.630 4.590 3.960 0.001 0.000 0.273 319 G C 0.489 175.319 174.900 -0.115 0.000 1.213 319 G CA 0.947 45.982 45.100 -0.108 0.000 0.955 319 G HN 1.752 nan 8.290 nan 0.000 0.454 320 V N 0.746 120.612 119.914 -0.079 0.000 3.463 320 V HA 0.941 5.062 4.120 0.001 0.000 0.302 320 V C 0.046 176.117 176.094 -0.037 0.000 1.097 320 V CA -0.371 61.892 62.300 -0.061 0.000 1.003 320 V CB 1.916 33.713 31.823 -0.044 0.000 1.229 320 V HN 0.682 nan 8.190 nan 0.000 0.444 321 D N -1.803 118.583 120.400 -0.023 0.000 4.547 321 D HA 0.109 4.750 4.640 0.001 0.000 0.361 321 D C 0.907 177.202 176.300 -0.007 0.000 1.690 321 D CA 0.303 54.301 54.000 -0.002 0.000 0.989 321 D CB 0.479 41.292 40.800 0.022 0.000 1.506 321 D HN 0.737 nan 8.370 nan 0.000 0.645 322 T N -0.704 113.850 114.554 0.000 0.000 2.897 322 T HA 0.027 4.378 4.350 0.001 0.000 0.271 322 T C 0.818 175.512 174.700 -0.010 0.000 1.084 322 T CA 1.373 63.470 62.100 -0.005 0.000 1.123 322 T CB -0.631 68.238 68.868 0.000 0.000 0.865 322 T HN 0.443 nan 8.240 nan 0.000 0.496 323 A N 1.342 124.157 122.820 -0.009 0.000 2.897 323 A HA 0.607 4.928 4.320 0.001 0.000 0.287 323 A C 0.713 178.271 177.584 -0.045 0.000 1.748 323 A CA 0.141 52.162 52.037 -0.027 0.000 1.397 323 A CB -0.974 18.009 19.000 -0.029 0.000 1.049 323 A HN 0.588 nan 8.150 nan 0.000 0.592 324 A N 2.656 125.454 122.820 -0.036 0.000 2.545 324 A HA 0.382 4.703 4.320 0.001 0.000 0.297 324 A C 1.351 178.910 177.584 -0.042 0.000 1.340 324 A CA -0.224 51.792 52.037 -0.035 0.000 1.016 324 A CB -0.327 18.658 19.000 -0.025 0.000 1.122 324 A HN 0.926 nan 8.150 nan 0.000 0.537 325 V N 2.910 122.788 119.914 -0.060 0.000 2.511 325 V HA -0.402 3.719 4.120 0.001 0.000 0.257 325 V C 2.869 178.946 176.094 -0.029 0.000 1.088 325 V CA 2.477 64.733 62.300 -0.074 0.000 1.098 325 V CB -1.327 30.443 31.823 -0.088 0.000 0.674 325 V HN 0.958 nan 8.190 nan 0.000 0.470 326 A N 1.136 123.951 122.820 -0.010 0.000 1.892 326 A HA -0.291 4.030 4.320 0.001 0.000 0.218 326 A C 2.023 179.654 177.584 0.079 0.000 1.188 326 A CA 2.225 54.275 52.037 0.023 0.000 0.631 326 A CB -0.560 18.444 19.000 0.006 0.000 0.822 326 A HN 0.738 nan 8.150 nan 0.000 0.447 327 D N -0.641 119.789 120.400 0.051 0.000 2.271 327 D HA 0.064 4.705 4.640 0.001 0.000 0.206 327 D C 0.576 176.949 176.300 0.122 0.000 0.967 327 D CA 0.516 54.547 54.000 0.052 0.000 0.867 327 D CB -0.541 40.256 40.800 -0.005 0.000 0.960 327 D HN 0.262 nan 8.370 nan 0.000 0.509 328 V N 0.930 120.920 119.914 0.126 0.000 2.567 328 V HA 0.257 4.378 4.120 0.001 0.000 0.289 328 V C -0.606 175.676 176.094 0.314 0.000 1.049 328 V CA -0.622 61.761 62.300 0.139 0.000 0.969 328 V CB 0.805 32.598 31.823 -0.051 0.000 0.995 328 V HN -0.028 nan 8.190 nan 0.000 0.471 329 Y N 0.567 120.870 120.300 0.005 0.000 2.598 329 Y HA 0.470 5.020 4.550 0.001 0.000 0.340 329 Y C 0.127 176.110 175.900 0.138 0.000 1.038 329 Y CA -1.700 56.439 58.100 0.065 0.000 1.100 329 Y CB 1.642 40.182 38.460 0.132 0.000 1.281 329 Y HN 0.579 nan 8.280 nan 0.000 0.488 330 D N 2.261 122.797 120.400 0.226 0.000 2.485 330 D HA 0.238 4.879 4.640 0.001 0.000 0.256 330 D C -1.039 175.341 176.300 0.134 0.000 1.141 330 D CA -0.034 54.099 54.000 0.221 0.000 0.942 330 D CB 0.103 41.000 40.800 0.161 0.000 1.003 330 D HN 0.256 nan 8.370 nan 0.000 0.507 331 I N 2.765 123.413 120.570 0.130 0.000 2.312 331 I HA 0.164 4.335 4.170 0.001 0.000 0.291 331 I C 0.762 176.885 176.117 0.011 0.000 1.031 331 I CA -0.238 61.106 61.300 0.072 0.000 1.293 331 I CB 0.699 38.747 38.000 0.080 0.000 1.403 331 I HN 0.190 nan 8.210 nan 0.000 0.484 332 S N 5.964 121.663 115.700 -0.002 0.000 2.697 332 S HA 0.527 4.998 4.470 0.001 0.000 0.289 332 S C -0.494 174.093 174.600 -0.022 0.000 1.149 332 S CA -1.122 57.065 58.200 -0.021 0.000 0.850 332 S CB 2.049 65.237 63.200 -0.021 0.000 1.151 332 S HN 0.634 nan 8.310 nan 0.000 0.491 333 N N 0.904 119.587 118.700 -0.028 0.000 2.518 333 N HA 0.047 4.788 4.740 0.001 0.000 0.266 333 N C 0.512 176.019 175.510 -0.006 0.000 1.196 333 N CA -0.685 52.352 53.050 -0.021 0.000 0.947 333 N CB 0.829 39.298 38.487 -0.029 0.000 1.098 333 N HN 0.619 nan 8.380 nan 0.000 0.450 334 L N 0.609 121.832 121.223 0.000 0.000 2.145 334 L HA 0.102 4.443 4.340 0.001 0.000 0.201 334 L C 0.119 177.014 176.870 0.042 0.000 1.075 334 L CA 1.275 56.122 54.840 0.011 0.000 0.773 334 L CB -0.540 41.519 42.059 0.000 0.000 0.936 334 L HN 0.543 nan 8.230 nan 0.000 0.451 335 D N -0.060 120.372 120.400 0.053 0.000 2.363 335 D HA 0.068 4.709 4.640 0.001 0.000 0.240 335 D C 0.643 176.999 176.300 0.095 0.000 1.236 335 D CA 0.152 54.209 54.000 0.096 0.000 0.927 335 D CB 1.634 42.494 40.800 0.101 0.000 1.150 335 D HN 0.071 nan 8.370 nan 0.000 0.458 336 R N -0.750 119.822 120.500 0.120 0.000 2.773 336 R HA 0.259 4.600 4.340 0.001 0.000 0.196 336 R C 1.569 177.859 176.300 -0.017 0.000 0.938 336 R CA 0.068 56.212 56.100 0.073 0.000 1.265 336 R CB 0.494 30.871 30.300 0.129 0.000 1.668 336 R HN 0.292 nan 8.270 nan 0.000 0.583 337 M N -1.399 118.149 119.600 -0.087 0.000 2.470 337 M HA 0.257 4.738 4.480 0.001 0.000 0.262 337 M C 1.694 177.854 176.300 -0.233 0.000 1.211 337 M CA 0.706 55.808 55.300 -0.329 0.000 1.125 337 M CB 0.951 33.063 32.600 -0.813 0.000 1.480 337 M HN 0.285 nan 8.290 nan 0.000 0.541 338 G N 1.560 110.353 108.800 -0.012 0.000 2.440 338 G HA2 -0.102 3.858 3.960 0.001 0.000 0.218 338 G HA3 -0.102 3.858 3.960 0.001 0.000 0.218 338 G C 0.884 175.809 174.900 0.042 0.000 1.154 338 G CA 0.595 45.758 45.100 0.106 0.000 0.767 338 G HN 0.307 nan 8.290 nan 0.000 0.552 339 R N -0.598 119.929 120.500 0.045 0.000 2.902 339 R HA 0.535 4.876 4.340 0.001 0.000 0.258 339 R C 0.060 176.345 176.300 -0.024 0.000 1.071 339 R CA -0.340 55.775 56.100 0.025 0.000 1.024 339 R CB 1.590 31.927 30.300 0.062 0.000 1.184 339 R HN 0.247 nan 8.270 nan 0.000 0.492 340 S N -0.168 115.526 115.700 -0.011 0.000 2.655 340 S HA 0.065 4.536 4.470 0.001 0.000 0.265 340 S C 0.906 175.568 174.600 0.103 0.000 1.240 340 S CA -0.674 57.544 58.200 0.029 0.000 0.986 340 S CB 0.837 64.071 63.200 0.057 0.000 0.985 340 S HN 0.639 nan 8.310 nan 0.000 0.562 341 E N 0.277 120.590 120.200 0.187 0.000 2.072 341 E HA -0.085 4.266 4.350 0.001 0.000 0.191 341 E C 2.143 178.829 176.600 0.143 0.000 0.985 341 E CA 0.851 57.383 56.400 0.219 0.000 0.801 341 E CB -0.900 29.038 29.700 0.397 0.000 0.750 341 E HN 0.432 nan 8.360 nan 0.000 0.452 342 V N 2.234 122.284 119.914 0.226 0.000 2.237 342 V HA -0.268 3.853 4.120 0.001 0.000 0.245 342 V C 2.326 178.434 176.094 0.023 0.000 1.046 342 V CA 2.119 64.524 62.300 0.174 0.000 1.007 342 V CB -0.579 31.372 31.823 0.213 0.000 0.638 342 V HN 0.233 nan 8.190 nan 0.000 0.445 343 E N -0.243 119.980 120.200 0.040 0.000 2.114 343 E HA -0.258 4.093 4.350 0.001 0.000 0.199 343 E C 2.218 178.808 176.600 -0.018 0.000 1.008 343 E CA 1.552 57.961 56.400 0.015 0.000 0.810 343 E CB -0.222 29.496 29.700 0.030 0.000 0.739 343 E HN 0.494 nan 8.360 nan 0.000 0.456 344 L N 0.274 121.480 121.223 -0.029 0.000 2.109 344 L HA -0.133 4.207 4.340 0.001 0.000 0.207 344 L C 2.472 179.265 176.870 -0.129 0.000 1.086 344 L CA 0.584 55.392 54.840 -0.054 0.000 0.760 344 L CB -0.228 41.811 42.059 -0.032 0.000 0.910 344 L HN 0.070 nan 8.230 nan 0.000 0.437 345 V N -0.363 119.401 119.914 -0.250 0.000 2.427 345 V HA -0.285 3.836 4.120 0.001 0.000 0.248 345 V C 2.416 178.377 176.094 -0.223 0.000 1.051 345 V CA 1.620 63.692 62.300 -0.381 0.000 1.048 345 V CB -0.237 31.047 31.823 -0.898 0.000 0.666 345 V HN 0.437 nan 8.190 nan 0.000 0.456 346 Q N -0.081 119.627 119.800 -0.153 0.000 2.079 346 Q HA -0.160 4.181 4.340 0.001 0.000 0.200 346 Q C 2.025 177.997 176.000 -0.047 0.000 0.974 346 Q CA 1.800 57.551 55.803 -0.085 0.000 0.840 346 Q CB -0.244 28.468 28.738 -0.042 0.000 0.898 346 Q HN 0.488 nan 8.270 nan 0.000 0.430 347 I N -0.243 120.303 120.570 -0.040 0.000 2.194 347 I HA -0.256 3.915 4.170 0.001 0.000 0.246 347 I C 2.141 178.253 176.117 -0.007 0.000 1.093 347 I CA 1.090 62.377 61.300 -0.020 0.000 1.355 347 I CB -1.279 36.710 38.000 -0.020 0.000 1.046 347 I HN 0.123 nan 8.210 nan 0.000 0.413 348 V N 0.838 120.744 119.914 -0.013 0.000 2.453 348 V HA -0.210 3.910 4.120 0.001 0.000 0.247 348 V C 2.470 178.648 176.094 0.140 0.000 1.048 348 V CA 1.262 63.580 62.300 0.031 0.000 1.049 348 V CB -0.173 31.655 31.823 0.008 0.000 0.672 348 V HN 0.255 nan 8.190 nan 0.000 0.457 349 I N 0.151 120.789 120.570 0.112 0.000 2.099 349 I HA -0.255 3.916 4.170 0.001 0.000 0.239 349 I C 2.342 178.564 176.117 0.175 0.000 1.066 349 I CA 1.904 63.295 61.300 0.151 0.000 1.324 349 I CB -0.468 37.465 38.000 -0.111 0.000 1.037 349 I HN 0.335 nan 8.210 nan 0.000 0.401 350 D N 0.904 121.345 120.400 0.070 0.000 2.092 350 D HA -0.155 4.486 4.640 0.001 0.000 0.193 350 D C 2.133 178.503 176.300 0.117 0.000 0.994 350 D CA 1.694 55.742 54.000 0.081 0.000 0.828 350 D CB -0.867 39.959 40.800 0.043 0.000 0.963 350 D HN 0.410 nan 8.370 nan 0.000 0.450 351 G N 0.566 109.409 108.800 0.071 0.000 2.442 351 G HA2 -0.214 3.747 3.960 0.001 0.000 0.219 351 G HA3 -0.214 3.747 3.960 0.001 0.000 0.219 351 G C 1.847 176.804 174.900 0.095 0.000 1.141 351 G CA 0.847 45.975 45.100 0.048 0.000 0.763 351 G HN 0.250 nan 8.290 nan 0.000 0.554 352 V N 1.125 121.088 119.914 0.081 0.000 2.379 352 V HA -0.151 3.970 4.120 0.001 0.000 0.245 352 V C 2.678 178.798 176.094 0.042 0.000 1.044 352 V CA 1.701 63.990 62.300 -0.018 0.000 1.036 352 V CB -0.421 31.221 31.823 -0.301 0.000 0.664 352 V HN 0.289 nan 8.190 nan 0.000 0.453 353 N N -0.418 118.393 118.700 0.185 0.000 2.069 353 N HA -0.220 4.521 4.740 0.001 0.000 0.191 353 N C 1.777 177.351 175.510 0.108 0.000 1.031 353 N CA 1.894 55.047 53.050 0.171 0.000 0.852 353 N CB -0.515 38.087 38.487 0.192 0.000 1.018 353 N HN 0.609 nan 8.380 nan 0.000 0.423 354 Y N 1.188 121.500 120.300 0.020 0.000 2.128 354 Y HA -0.185 4.366 4.550 0.002 0.000 0.284 354 Y C 2.149 178.040 175.900 -0.015 0.000 1.154 354 Y CA 1.231 59.333 58.100 0.004 0.000 1.149 354 Y CB -0.561 37.908 38.460 0.016 0.000 0.976 354 Y HN -0.042 nan 8.280 nan 0.000 0.505 355 L N -0.772 120.620 121.223 0.282 0.000 2.043 355 L HA -0.231 4.109 4.340 0.001 0.000 0.212 355 L C 2.553 179.408 176.870 -0.024 0.000 1.075 355 L CA 1.463 56.405 54.840 0.170 0.000 0.752 355 L CB -1.200 40.948 42.059 0.149 0.000 0.891 355 L HN 0.191 nan 8.230 nan 0.000 0.432 356 V N -0.387 119.468 119.914 -0.097 0.000 2.358 356 V HA -0.296 3.825 4.120 0.001 0.000 0.246 356 V C 2.370 178.269 176.094 -0.325 0.000 1.047 356 V CA 1.986 64.121 62.300 -0.275 0.000 1.035 356 V CB -0.519 31.133 31.823 -0.284 0.000 0.658 356 V HN 0.605 nan 8.190 nan 0.000 0.452 357 D N -0.765 119.493 120.400 -0.238 0.000 2.123 357 D HA -0.215 4.425 4.640 0.001 0.000 0.196 357 D C 2.122 178.270 176.300 -0.254 0.000 0.992 357 D CA 1.911 55.763 54.000 -0.247 0.000 0.833 357 D CB 0.030 40.680 40.800 -0.251 0.000 0.954 357 D HN 0.504 nan 8.370 nan 0.000 0.455 358 C N 0.480 119.619 119.300 -0.269 0.000 2.435 358 C HA -0.076 4.384 4.460 0.001 0.000 0.279 358 C C 2.554 177.462 174.990 -0.137 0.000 1.321 358 C CA 0.800 59.697 59.018 -0.200 0.000 1.752 358 C CB -0.813 26.854 27.740 -0.122 0.000 1.959 358 C HN 0.471 nan 8.230 nan 0.000 0.500 359 E N 1.464 121.576 120.200 -0.147 0.000 2.047 359 E HA -0.167 4.184 4.350 0.001 0.000 0.191 359 E C 2.058 178.618 176.600 -0.067 0.000 0.987 359 E CA 1.574 57.912 56.400 -0.104 0.000 0.799 359 E CB -0.209 29.441 29.700 -0.084 0.000 0.752 359 E HN 0.500 nan 8.360 nan 0.000 0.449 360 K N 0.100 120.423 120.400 -0.128 0.000 2.009 360 K HA -0.193 4.128 4.320 0.001 0.000 0.210 360 K C 2.238 178.806 176.600 -0.053 0.000 1.049 360 K CA 1.645 57.890 56.287 -0.070 0.000 0.929 360 K CB -0.172 32.253 32.500 -0.125 0.000 0.714 360 K HN -0.078 nan 8.250 nan 0.000 0.440 361 K N 1.153 121.502 120.400 -0.085 0.000 2.034 361 K HA -0.108 4.213 4.320 0.001 0.000 0.214 361 K C 1.861 178.432 176.600 -0.048 0.000 1.051 361 K CA 1.383 57.628 56.287 -0.070 0.000 0.931 361 K CB -0.343 32.102 32.500 -0.093 0.000 0.715 361 K HN 0.079 nan 8.250 nan 0.000 0.446 362 L N 0.448 121.641 121.223 -0.051 0.000 2.362 362 L HA -0.155 4.186 4.340 0.001 0.000 0.219 362 L C 1.916 178.770 176.870 -0.027 0.000 1.134 362 L CA 1.060 55.876 54.840 -0.040 0.000 0.807 362 L CB -0.329 41.699 42.059 -0.051 0.000 0.927 362 L HN 0.345 nan 8.230 nan 0.000 0.447 363 E N 0.130 120.320 120.200 -0.017 0.000 2.046 363 E HA -0.138 4.213 4.350 0.001 0.000 0.190 363 E C 1.096 177.693 176.600 -0.006 0.000 0.982 363 E CA 0.723 57.122 56.400 -0.003 0.000 0.800 363 E CB 0.172 29.887 29.700 0.025 0.000 0.756 363 E HN 0.222 nan 8.360 nan 0.000 0.449 364 K N 0.269 120.664 120.400 -0.009 0.000 2.627 364 K HA 0.143 4.464 4.320 0.001 0.000 0.212 364 K C 0.981 177.573 176.600 -0.014 0.000 1.041 364 K CA 0.665 56.946 56.287 -0.010 0.000 1.205 364 K CB 0.388 32.882 32.500 -0.011 0.000 0.936 364 K HN 0.304 nan 8.250 nan 0.000 0.489 365 G N 2.019 110.810 108.800 -0.015 0.000 4.148 365 G HA2 -0.418 3.543 3.960 0.001 0.000 0.221 365 G HA3 -0.418 3.543 3.960 0.001 0.000 0.221 365 G C 0.107 174.997 174.900 -0.017 0.000 1.373 365 G CA 0.425 45.516 45.100 -0.015 0.000 0.940 365 G HN 0.573 nan 8.290 nan 0.000 0.610 366 Q N 1.779 121.568 119.800 -0.018 0.000 2.431 366 Q HA 0.247 4.588 4.340 0.001 0.000 0.349 366 Q C -0.610 175.376 176.000 -0.023 0.000 1.119 366 Q CA 1.057 56.849 55.803 -0.019 0.000 1.065 366 Q CB 0.246 28.971 28.738 -0.022 0.000 1.149 366 Q HN 0.500 nan 8.270 nan 0.000 0.403 367 D N 1.650 122.039 120.400 -0.018 0.000 2.253 367 D HA 0.307 4.948 4.640 0.001 0.000 0.249 367 D C 0.340 176.629 176.300 -0.019 0.000 1.049 367 D CA -0.582 53.409 54.000 -0.015 0.000 0.929 367 D CB 0.816 41.613 40.800 -0.005 0.000 1.176 367 D HN 0.551 nan 8.370 nan 0.000 0.437 368 I N -1.342 119.219 120.570 -0.015 0.000 3.653 368 I HA 0.502 4.673 4.170 0.001 0.000 0.268 368 I C -0.161 175.974 176.117 0.031 0.000 1.287 368 I CA -0.445 60.848 61.300 -0.012 0.000 0.839 368 I CB 0.552 38.547 38.000 -0.009 0.000 1.644 368 I HN 0.424 nan 8.210 nan 0.000 0.767 369 K N 0.243 120.691 120.400 0.081 0.000 2.507 369 K HA 0.582 4.903 4.320 0.001 0.000 0.284 369 K C -1.848 174.861 176.600 0.182 0.000 1.038 369 K CA -0.814 55.540 56.287 0.111 0.000 0.903 369 K CB 1.634 34.191 32.500 0.095 0.000 1.531 369 K HN 0.379 nan 8.250 nan 0.000 0.430 370 V N 2.834 122.822 119.914 0.123 0.000 2.347 370 V HA 0.309 4.430 4.120 0.001 0.000 0.280 370 V C -1.997 174.124 176.094 0.044 0.000 1.021 370 V CA -1.480 60.871 62.300 0.086 0.000 0.847 370 V CB 0.906 32.757 31.823 0.046 0.000 0.990 370 V HN 0.709 nan 8.190 nan 0.000 0.444 371 P HA 0.273 nan 4.420 nan 0.000 0.272 371 P C -2.714 174.542 177.300 -0.074 0.000 1.223 371 P CA -1.539 61.508 63.100 -0.088 0.000 0.784 371 P CB 0.202 31.680 31.700 -0.370 0.000 0.923 372 P HA 0.177 nan 4.420 nan 0.000 0.276 372 P C -2.304 174.966 177.300 -0.051 0.000 1.235 372 P CA -1.457 61.623 63.100 -0.033 0.000 0.772 372 P CB -0.604 31.088 31.700 -0.013 0.000 0.871 373 P HA 0.094 nan 4.420 nan 0.000 0.271 373 P C 0.012 177.283 177.300 -0.048 0.000 1.216 373 P CA -0.171 62.896 63.100 -0.055 0.000 0.776 373 P CB 0.545 32.217 31.700 -0.047 0.000 0.881 374 L N 4.996 126.188 121.223 -0.052 0.000 2.461 374 L HA 0.192 4.533 4.340 0.001 0.000 0.272 374 L C -1.458 175.389 176.870 -0.038 0.000 1.197 374 L CA -1.328 53.490 54.840 -0.037 0.000 0.836 374 L CB -0.708 41.331 42.059 -0.033 0.000 1.105 374 L HN 0.368 nan 8.230 nan 0.000 0.477 375 P HA 0.019 nan 4.420 nan 0.000 0.267 375 P C -0.281 176.987 177.300 -0.055 0.000 1.200 375 P CA -0.267 62.806 63.100 -0.044 0.000 0.772 375 P CB 0.358 32.055 31.700 -0.005 0.000 0.855 376 Q N 0.544 120.246 119.800 -0.164 0.000 2.369 376 Q HA 0.099 4.440 4.340 0.001 0.000 0.206 376 Q C 0.146 176.140 176.000 -0.011 0.000 0.963 376 Q CA 1.332 57.021 55.803 -0.190 0.000 0.894 376 Q CB -0.437 28.066 28.738 -0.393 0.000 0.965 376 Q HN 0.316 nan 8.270 nan 0.000 0.475 377 F N -0.466 119.524 119.950 0.067 0.000 2.572 377 F HA 0.792 5.319 4.527 0.001 0.000 0.342 377 F C 1.134 176.969 175.800 0.059 0.000 1.064 377 F CA -1.837 56.214 58.000 0.084 0.000 1.008 377 F CB 0.622 39.686 39.000 0.107 0.000 1.303 377 F HN -0.005 nan 8.300 nan 0.000 0.492 378 G N 0.035 109.006 108.800 0.286 0.000 2.828 378 G HA2 0.522 4.483 3.960 0.001 0.000 0.244 378 G HA3 0.522 4.483 3.960 0.001 0.000 0.244 378 G C -0.282 174.686 174.900 0.113 0.000 1.365 378 G CA -0.505 44.683 45.100 0.147 0.000 1.041 378 G HN 0.250 nan 8.290 nan 0.000 0.560 379 R N -0.420 120.112 120.500 0.054 0.000 2.517 379 R HA 0.514 4.855 4.340 0.001 0.000 0.250 379 R C 0.245 176.527 176.300 -0.030 0.000 1.213 379 R CA -0.453 55.658 56.100 0.018 0.000 1.146 379 R CB -0.096 30.200 30.300 -0.007 0.000 1.279 379 R HN 0.747 nan 8.270 nan 0.000 0.597 380 K N 0.000 120.353 120.400 -0.078 0.000 2.780 380 K HA 0.000 4.321 4.320 0.001 0.000 0.191 380 K CA 0.000 56.179 56.287 -0.179 0.000 0.838 380 K CB 0.000 32.174 32.500 -0.543 0.000 1.064 380 K HN 0.000 nan 8.250 nan 0.000 0.543