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 2zaf_1_A DATA FIRST_RESID 2 DATA SEQUENCE VDFKLSPSQL EARRHAQAFA NTVLTKASAE YSTQKDQLSR FQATRPFYRE DATA SEQUENCE AVRHGLIKAQ VPIPLGGTME SLVHESIILE ELFAVEPATS ITIVATALGL DATA SEQUENCE MPVILCDSPS LQEKFLKPFI SGEGEPLASL MHSEPNGTAN WLQKGGPGLQ DATA SEQUENCE TTARKVGNEW VISGEKLWPS NSGGWDYKGA DLACVVCRVS DDPSKPQDPN DATA SEQUENCE VDPATQIAVL LVTRETIANN KKDAYQILGE PELAGHITTS GPHTRFTEFH DATA SEQUENCE VPHENLLCTP GLKAQGLVET AFAMSAALVG AMAIGTARAA FEEALVFAKS DATA SEQUENCE DTRGGSKHII EHQSVADKLI DCKIRLETSR LLVWKAVTTL EDEALEWKVK DATA SEQUENCE LEMAMQTKIY TTDVAVECVI DAMKAVGMKS YAKDMSFPRL LNEVMCYPLF DATA SEQUENCE DGGNIGLKRR QMQRVMALED YEPWAATYGS 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 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.004 176.094 -0.149 0.000 1.182 2 V CA 0.000 62.222 62.300 -0.130 0.000 1.235 2 V CB 0.000 31.734 31.823 -0.148 0.000 1.184 3 D N 1.323 121.541 120.400 -0.304 0.000 2.937 3 D HA 0.621 5.260 4.640 -0.001 0.000 0.215 3 D C -0.606 175.493 176.300 -0.335 0.000 1.274 3 D CA -0.314 53.564 54.000 -0.202 0.000 0.869 3 D CB 1.710 42.456 40.800 -0.090 0.000 1.675 3 D HN 0.456 nan 8.370 nan 0.000 0.538 4 F N 1.278 121.272 119.950 0.073 0.000 2.704 4 F HA 0.335 4.861 4.527 -0.001 0.000 0.304 4 F C 1.128 177.004 175.800 0.128 0.000 1.094 4 F CA -0.373 57.705 58.000 0.131 0.000 1.275 4 F CB 0.348 39.430 39.000 0.137 0.000 1.073 4 F HN -0.003 nan 8.300 nan 0.000 0.586 5 K N 1.808 122.327 120.400 0.198 0.000 2.436 5 K HA 0.204 4.523 4.320 -0.001 0.000 0.275 5 K C -0.332 176.309 176.600 0.068 0.000 0.999 5 K CA 0.077 56.442 56.287 0.130 0.000 0.980 5 K CB 0.580 33.129 32.500 0.082 0.000 0.919 5 K HN 0.094 nan 8.250 nan 0.000 0.484 6 L N 2.221 123.478 121.223 0.057 0.000 2.312 6 L HA 0.167 4.507 4.340 -0.001 0.000 0.281 6 L C 0.542 177.396 176.870 -0.026 0.000 1.070 6 L CA -0.535 54.296 54.840 -0.016 0.000 0.805 6 L CB 1.512 43.576 42.059 0.009 0.000 1.174 6 L HN 0.721 nan 8.230 nan 0.000 0.434 7 S N 2.001 117.662 115.700 -0.066 0.000 2.584 7 S HA 0.297 4.767 4.470 -0.001 0.000 0.273 7 S C -1.843 172.743 174.600 -0.025 0.000 1.311 7 S CA -1.168 57.012 58.200 -0.034 0.000 1.034 7 S CB 1.235 64.420 63.200 -0.026 0.000 0.939 7 S HN 0.403 nan 8.310 nan 0.000 0.513 8 P HA -0.258 nan 4.420 nan 0.000 0.222 8 P C 1.755 179.068 177.300 0.022 0.000 1.155 8 P CA 2.299 65.408 63.100 0.015 0.000 0.890 8 P CB -0.251 31.461 31.700 0.021 0.000 0.790 9 S N -1.809 113.917 115.700 0.042 0.000 2.428 9 S HA -0.154 4.316 4.470 -0.001 0.000 0.230 9 S C 1.987 176.620 174.600 0.056 0.000 1.014 9 S CA 0.816 59.078 58.200 0.104 0.000 0.957 9 S CB -1.000 62.321 63.200 0.201 0.000 0.784 9 S HN 0.228 nan 8.310 nan 0.000 0.499 10 Q N 0.721 120.428 119.800 -0.154 0.000 2.123 10 Q HA 0.188 4.528 4.340 -0.001 0.000 0.199 10 Q C 2.154 178.079 176.000 -0.126 0.000 0.966 10 Q CA 1.245 56.821 55.803 -0.379 0.000 0.845 10 Q CB -0.355 28.083 28.738 -0.500 0.000 0.907 10 Q HN 0.529 nan 8.270 nan 0.000 0.439 11 L N 0.254 121.450 121.223 -0.046 0.000 2.109 11 L HA -0.153 4.186 4.340 -0.001 0.000 0.207 11 L C 2.383 179.283 176.870 0.050 0.000 1.086 11 L CA 0.944 55.795 54.840 0.017 0.000 0.760 11 L CB -0.196 41.879 42.059 0.028 0.000 0.910 11 L HN 0.190 nan 8.230 nan 0.000 0.437 12 E N 0.915 121.146 120.200 0.051 0.000 2.153 12 E HA -0.202 4.148 4.350 -0.001 0.000 0.194 12 E C 2.068 178.738 176.600 0.116 0.000 0.988 12 E CA 1.503 57.951 56.400 0.080 0.000 0.811 12 E CB -0.072 29.666 29.700 0.063 0.000 0.746 12 E HN 0.351 nan 8.360 nan 0.000 0.466 13 A N 0.846 123.726 122.820 0.099 0.000 1.930 13 A HA -0.130 4.190 4.320 -0.001 0.000 0.217 13 A C 2.307 179.990 177.584 0.164 0.000 1.175 13 A CA 1.536 53.655 52.037 0.137 0.000 0.627 13 A CB -0.571 18.515 19.000 0.143 0.000 0.815 13 A HN 0.279 nan 8.150 nan 0.000 0.443 14 R N -0.484 120.087 120.500 0.118 0.000 2.064 14 R HA -0.136 4.204 4.340 -0.001 0.000 0.228 14 R C 2.483 178.867 176.300 0.141 0.000 1.144 14 R CA 1.511 57.687 56.100 0.128 0.000 0.932 14 R CB -0.408 29.955 30.300 0.105 0.000 0.833 14 R HN 0.501 nan 8.270 nan 0.000 0.429 15 R N -0.450 120.128 120.500 0.130 0.000 2.133 15 R HA -0.287 4.052 4.340 -0.001 0.000 0.245 15 R C 2.306 178.702 176.300 0.159 0.000 1.137 15 R CA 2.477 58.653 56.100 0.128 0.000 0.947 15 R CB -0.656 29.715 30.300 0.118 0.000 0.865 15 R HN 0.486 nan 8.270 nan 0.000 0.437 16 H N -0.539 118.595 119.070 0.106 0.000 2.387 16 H HA 0.001 4.556 4.556 -0.001 0.000 0.299 16 H C 1.710 177.135 175.328 0.162 0.000 1.090 16 H CA 1.953 58.082 56.048 0.135 0.000 1.332 16 H CB -0.053 29.781 29.762 0.119 0.000 1.386 16 H HN 0.401 nan 8.280 nan 0.000 0.516 17 A N 0.162 123.091 122.820 0.182 0.000 1.970 17 A HA -0.106 4.214 4.320 -0.001 0.000 0.216 17 A C 2.270 179.927 177.584 0.121 0.000 1.170 17 A CA 1.141 53.269 52.037 0.153 0.000 0.645 17 A CB -0.337 18.779 19.000 0.193 0.000 0.816 17 A HN 0.585 nan 8.150 nan 0.000 0.447 18 Q N -0.506 119.354 119.800 0.100 0.000 2.050 18 Q HA -0.149 4.191 4.340 -0.001 0.000 0.202 18 Q C 2.478 178.497 176.000 0.032 0.000 0.980 18 Q CA 1.480 57.324 55.803 0.068 0.000 0.840 18 Q CB -0.364 28.416 28.738 0.069 0.000 0.898 18 Q HN 0.672 nan 8.270 nan 0.000 0.424 19 A N 0.536 123.374 122.820 0.030 0.000 1.902 19 A HA -0.208 4.111 4.320 -0.001 0.000 0.217 19 A C 1.862 179.430 177.584 -0.027 0.000 1.181 19 A CA 1.259 53.302 52.037 0.010 0.000 0.623 19 A CB -0.849 18.173 19.000 0.037 0.000 0.818 19 A HN 0.455 nan 8.150 nan 0.000 0.443 20 F N 1.047 120.866 119.950 -0.218 0.000 2.126 20 F HA -0.100 4.426 4.527 -0.002 0.000 0.299 20 F C 2.504 178.197 175.800 -0.178 0.000 1.096 20 F CA 1.248 59.058 58.000 -0.316 0.000 1.255 20 F CB -0.475 38.249 39.000 -0.460 0.000 0.997 20 F HN 0.244 nan 8.300 nan 0.000 0.479 21 A N 0.111 122.851 122.820 -0.134 0.000 1.933 21 A HA -0.213 4.107 4.320 -0.001 0.000 0.218 21 A C 2.050 179.516 177.584 -0.196 0.000 1.175 21 A CA 2.032 53.965 52.037 -0.173 0.000 0.628 21 A CB -1.108 17.881 19.000 -0.019 0.000 0.814 21 A HN 0.625 nan 8.150 nan 0.000 0.444 22 N N -0.926 117.695 118.700 -0.132 0.000 2.207 22 N HA -0.113 4.626 4.740 -0.001 0.000 0.182 22 N C 1.866 177.303 175.510 -0.122 0.000 1.020 22 N CA 1.691 54.680 53.050 -0.102 0.000 0.858 22 N CB -0.128 38.329 38.487 -0.050 0.000 0.991 22 N HN 0.670 nan 8.380 nan 0.000 0.427 23 T N -2.405 112.066 114.554 -0.139 0.000 3.054 23 T HA 0.127 4.476 4.350 -0.001 0.000 0.259 23 T C 1.687 176.292 174.700 -0.159 0.000 1.092 23 T CA 0.382 62.416 62.100 -0.109 0.000 1.121 23 T CB 0.122 68.961 68.868 -0.049 0.000 0.912 23 T HN -0.103 nan 8.240 nan 0.000 0.489 24 V N -0.023 119.693 119.914 -0.331 0.000 2.911 24 V HA 0.302 4.421 4.120 -0.001 0.000 0.237 24 V C 2.175 178.068 176.094 -0.335 0.000 1.156 24 V CA 0.146 62.234 62.300 -0.352 0.000 1.180 24 V CB 0.116 31.512 31.823 -0.713 0.000 0.932 24 V HN 0.246 nan 8.190 nan 0.000 0.483 25 L N 1.217 122.160 121.223 -0.467 0.000 2.240 25 L HA -0.044 4.295 4.340 -0.001 0.000 0.211 25 L C 2.706 179.392 176.870 -0.307 0.000 1.106 25 L CA 2.419 57.033 54.840 -0.377 0.000 0.793 25 L CB -1.266 40.613 42.059 -0.299 0.000 0.927 25 L HN 0.606 nan 8.230 nan 0.000 0.446 26 T N -3.954 110.458 114.554 -0.237 0.000 3.025 26 T HA -0.186 4.163 4.350 -0.001 0.000 0.270 26 T C 1.656 176.231 174.700 -0.207 0.000 1.126 26 T CA 1.021 63.009 62.100 -0.186 0.000 1.105 26 T CB -0.244 68.544 68.868 -0.134 0.000 0.884 26 T HN 0.272 nan 8.240 nan 0.000 0.522 27 K N 0.315 120.563 120.400 -0.252 0.000 2.367 27 K HA 0.482 4.801 4.320 -0.001 0.000 0.194 27 K C 2.468 178.814 176.600 -0.423 0.000 1.027 27 K CA 0.377 56.542 56.287 -0.202 0.000 1.075 27 K CB 0.095 32.608 32.500 0.022 0.000 0.845 27 K HN 0.376 nan 8.250 nan 0.000 0.529 28 A N 0.887 123.232 122.820 -0.792 0.000 1.898 28 A HA -0.138 4.181 4.320 -0.001 0.000 0.216 28 A C 2.177 179.428 177.584 -0.555 0.000 1.181 28 A CA 1.714 53.171 52.037 -0.966 0.000 0.620 28 A CB -0.487 18.102 19.000 -0.684 0.000 0.819 28 A HN 0.194 nan 8.150 nan 0.000 0.442 29 S N -0.509 114.800 115.700 -0.653 0.000 2.399 29 S HA -0.011 4.458 4.470 -0.001 0.000 0.231 29 S C 2.102 176.275 174.600 -0.712 0.000 1.022 29 S CA 1.276 58.803 58.200 -1.122 0.000 0.983 29 S CB -0.401 62.449 63.200 -0.583 0.000 0.803 29 S HN 0.770 nan 8.310 nan 0.000 0.480 30 A N 1.082 123.672 122.820 -0.383 0.000 2.019 30 A HA -0.073 4.246 4.320 -0.001 0.000 0.219 30 A C 2.053 179.545 177.584 -0.152 0.000 1.164 30 A CA 1.407 53.316 52.037 -0.213 0.000 0.644 30 A CB -0.314 18.616 19.000 -0.117 0.000 0.805 30 A HN 0.503 nan 8.150 nan 0.000 0.449 31 E N -0.826 119.297 120.200 -0.128 0.000 2.075 31 E HA -0.070 4.279 4.350 -0.001 0.000 0.190 31 E C 1.853 178.468 176.600 0.026 0.000 0.969 31 E CA 1.513 57.924 56.400 0.019 0.000 0.815 31 E CB -0.694 29.135 29.700 0.214 0.000 0.776 31 E HN 0.962 nan 8.360 nan 0.000 0.457 32 Y N -0.220 120.094 120.300 0.024 0.000 2.519 32 Y HA 0.285 4.834 4.550 -0.001 0.000 0.287 32 Y C 2.081 177.990 175.900 0.013 0.000 1.128 32 Y CA 0.509 58.626 58.100 0.029 0.000 1.282 32 Y CB -0.115 38.366 38.460 0.034 0.000 1.027 32 Y HN -0.212 nan 8.280 nan 0.000 0.551 33 S N 0.577 116.189 115.700 -0.147 0.000 2.406 33 S HA -0.151 4.319 4.470 -0.001 0.000 0.228 33 S C 1.939 176.539 174.600 -0.001 0.000 1.020 33 S CA 1.642 59.804 58.200 -0.064 0.000 0.965 33 S CB -0.594 62.495 63.200 -0.186 0.000 0.798 33 S HN 0.777 nan 8.310 nan 0.000 0.488 34 T N -0.164 114.384 114.554 -0.009 0.000 3.160 34 T HA 0.098 4.447 4.350 -0.001 0.000 0.257 34 T C 0.584 175.304 174.700 0.033 0.000 1.147 34 T CA 0.220 62.324 62.100 0.006 0.000 1.064 34 T CB -0.046 68.820 68.868 -0.003 0.000 0.949 34 T HN 0.093 nan 8.240 nan 0.000 0.526 35 Q N 1.398 121.237 119.800 0.064 0.000 2.227 35 Q HA 0.352 4.691 4.340 -0.001 0.000 0.245 35 Q C 1.136 177.176 176.000 0.066 0.000 0.926 35 Q CA -0.364 55.483 55.803 0.072 0.000 0.895 35 Q CB 1.825 30.625 28.738 0.103 0.000 1.230 35 Q HN 0.596 nan 8.270 nan 0.000 0.450 36 K N -0.399 120.034 120.400 0.054 0.000 2.186 36 K HA -0.023 4.297 4.320 -0.001 0.000 0.202 36 K C -0.035 176.593 176.600 0.047 0.000 1.052 36 K CA 1.110 57.423 56.287 0.044 0.000 0.965 36 K CB 0.211 32.731 32.500 0.033 0.000 0.746 36 K HN 0.564 nan 8.250 nan 0.000 0.457 37 D N -1.365 119.069 120.400 0.057 0.000 2.652 37 D HA 0.060 4.699 4.640 -0.001 0.000 0.285 37 D C 0.550 176.894 176.300 0.073 0.000 1.173 37 D CA -0.816 53.218 54.000 0.057 0.000 0.981 37 D CB 0.577 41.407 40.800 0.049 0.000 1.440 37 D HN -0.248 nan 8.370 nan 0.000 0.485 38 Q N -0.552 119.289 119.800 0.068 0.000 2.029 38 Q HA -0.163 4.177 4.340 -0.001 0.000 0.209 38 Q C 1.866 177.939 176.000 0.121 0.000 0.999 38 Q CA 1.546 57.397 55.803 0.079 0.000 0.857 38 Q CB -0.494 28.279 28.738 0.058 0.000 0.926 38 Q HN 0.578 nan 8.270 nan 0.000 0.415 39 L N 0.827 122.116 121.223 0.109 0.000 1.989 39 L HA -0.169 4.170 4.340 -0.001 0.000 0.211 39 L C 2.322 179.291 176.870 0.164 0.000 1.071 39 L CA 2.009 56.927 54.840 0.130 0.000 0.749 39 L CB -0.734 41.311 42.059 -0.022 0.000 0.890 39 L HN 0.078 nan 8.230 nan 0.000 0.431 40 S N -0.398 115.361 115.700 0.099 0.000 2.370 40 S HA -0.218 4.252 4.470 -0.001 0.000 0.226 40 S C 1.988 176.668 174.600 0.133 0.000 1.033 40 S CA 1.508 59.763 58.200 0.091 0.000 1.011 40 S CB -0.476 62.764 63.200 0.066 0.000 0.852 40 S HN 0.443 nan 8.310 nan 0.000 0.457 41 R N -0.061 120.532 120.500 0.155 0.000 2.091 41 R HA -0.083 4.256 4.340 -0.001 0.000 0.238 41 R C 2.130 178.556 176.300 0.212 0.000 1.136 41 R CA 1.548 57.757 56.100 0.182 0.000 0.959 41 R CB -0.525 29.856 30.300 0.135 0.000 0.856 41 R HN 0.435 nan 8.270 nan 0.000 0.437 42 F N 2.209 122.209 119.950 0.084 0.000 2.102 42 F HA -0.215 4.312 4.527 -0.001 0.000 0.298 42 F C 2.147 178.104 175.800 0.262 0.000 1.105 42 F CA 1.645 59.727 58.000 0.137 0.000 1.239 42 F CB -0.293 38.763 39.000 0.092 0.000 0.991 42 F HN -0.037 nan 8.300 nan 0.000 0.474 43 Q N 0.006 119.855 119.800 0.082 0.000 2.124 43 Q HA -0.124 4.215 4.340 -0.001 0.000 0.202 43 Q C 2.302 178.265 176.000 -0.061 0.000 0.977 43 Q CA 1.392 57.174 55.803 -0.034 0.000 0.850 43 Q CB -0.529 28.222 28.738 0.022 0.000 0.901 43 Q HN 0.512 nan 8.270 nan 0.000 0.429 44 A N 0.036 122.890 122.820 0.056 0.000 2.225 44 A HA -0.113 4.206 4.320 -0.001 0.000 0.215 44 A C 1.951 179.665 177.584 0.217 0.000 1.164 44 A CA 1.304 53.409 52.037 0.114 0.000 0.710 44 A CB -0.325 18.784 19.000 0.183 0.000 0.780 44 A HN 0.225 nan 8.150 nan 0.000 0.473 45 T N -1.418 113.240 114.554 0.172 0.000 3.054 45 T HA 0.021 4.370 4.350 -0.001 0.000 0.259 45 T C 1.937 176.757 174.700 0.199 0.000 1.092 45 T CA 0.608 62.896 62.100 0.313 0.000 1.121 45 T CB -0.180 68.833 68.868 0.240 0.000 0.912 45 T HN 0.585 nan 8.240 nan 0.000 0.489 46 R N 1.293 121.646 120.500 -0.245 0.000 2.113 46 R HA -0.117 4.222 4.340 -0.001 0.000 0.244 46 R C -1.000 175.097 176.300 -0.340 0.000 1.142 46 R CA 1.811 57.472 56.100 -0.731 0.000 0.953 46 R CB -0.877 28.657 30.300 -1.276 0.000 0.860 46 R HN 0.305 nan 8.270 nan 0.000 0.438 47 P HA -0.103 nan 4.420 nan 0.000 0.222 47 P C 0.437 177.486 177.300 -0.419 0.000 1.147 47 P CA 1.253 64.082 63.100 -0.451 0.000 0.790 47 P CB -0.016 31.290 31.700 -0.656 0.000 0.780 48 F N -3.191 116.800 119.950 0.068 0.000 2.387 48 F HA 0.026 4.553 4.527 -0.001 0.000 0.294 48 F C 2.387 178.353 175.800 0.276 0.000 1.093 48 F CA 0.491 58.575 58.000 0.139 0.000 1.420 48 F CB -1.315 37.749 39.000 0.106 0.000 1.086 48 F HN -0.156 nan 8.300 nan 0.000 0.531 49 Y N 1.470 121.960 120.300 0.316 0.000 2.224 49 Y HA -0.225 4.324 4.550 -0.001 0.000 0.289 49 Y C 2.732 178.763 175.900 0.218 0.000 1.146 49 Y CA 1.631 59.923 58.100 0.320 0.000 1.182 49 Y CB -0.286 38.450 38.460 0.459 0.000 0.983 49 Y HN -0.068 nan 8.280 nan 0.000 0.524 50 R N 0.740 121.353 120.500 0.188 0.000 2.105 50 R HA -0.158 4.181 4.340 -0.001 0.000 0.239 50 R C 1.950 178.289 176.300 0.065 0.000 1.135 50 R CA 1.997 58.131 56.100 0.056 0.000 0.967 50 R CB -0.462 29.813 30.300 -0.042 0.000 0.861 50 R HN 0.242 nan 8.270 nan 0.000 0.442 51 E N 0.046 120.330 120.200 0.140 0.000 2.152 51 E HA -0.058 4.292 4.350 -0.001 0.000 0.192 51 E C 1.854 178.657 176.600 0.338 0.000 0.983 51 E CA 1.178 57.745 56.400 0.279 0.000 0.818 51 E CB -0.218 29.678 29.700 0.327 0.000 0.758 51 E HN 0.476 nan 8.360 nan 0.000 0.467 52 A N 0.920 123.879 122.820 0.231 0.000 1.877 52 A HA -0.156 4.163 4.320 -0.001 0.000 0.216 52 A C 2.583 180.054 177.584 -0.187 0.000 1.186 52 A CA 1.589 53.522 52.037 -0.172 0.000 0.620 52 A CB -0.756 18.188 19.000 -0.094 0.000 0.822 52 A HN 0.140 nan 8.150 nan 0.000 0.443 53 V N -0.098 119.715 119.914 -0.167 0.000 2.332 53 V HA -0.265 3.854 4.120 -0.001 0.000 0.248 53 V C 2.629 178.703 176.094 -0.032 0.000 1.055 53 V CA 2.319 64.545 62.300 -0.123 0.000 1.038 53 V CB -0.818 30.934 31.823 -0.117 0.000 0.651 53 V HN 0.606 nan 8.190 nan 0.000 0.450 54 R N -0.920 119.596 120.500 0.026 0.000 2.115 54 R HA -0.145 4.194 4.340 -0.001 0.000 0.230 54 R C 2.136 178.451 176.300 0.025 0.000 1.111 54 R CA 1.321 57.445 56.100 0.040 0.000 0.976 54 R CB -0.168 30.176 30.300 0.074 0.000 0.870 54 R HN 0.597 nan 8.270 nan 0.000 0.445 55 H N -1.378 117.667 119.070 -0.042 0.000 2.556 55 H HA 0.155 4.710 4.556 -0.001 0.000 0.268 55 H C 0.930 176.246 175.328 -0.021 0.000 0.996 55 H CA 0.962 57.001 56.048 -0.015 0.000 1.157 55 H CB 0.570 30.235 29.762 -0.163 0.000 1.355 55 H HN 0.501 nan 8.280 nan 0.000 0.597 56 G N 0.125 108.937 108.800 0.019 0.000 2.137 56 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.237 56 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.237 56 G C 0.943 175.827 174.900 -0.026 0.000 1.002 56 G CA 0.474 45.565 45.100 -0.015 0.000 0.702 56 G HN 0.428 nan 8.290 nan 0.000 0.515 57 L N -0.329 120.857 121.223 -0.062 0.000 2.270 57 L HA 0.111 4.451 4.340 -0.001 0.000 0.210 57 L C 2.736 179.592 176.870 -0.023 0.000 1.104 57 L CA 0.368 55.169 54.840 -0.065 0.000 0.804 57 L CB -0.330 41.623 42.059 -0.177 0.000 0.937 57 L HN 0.271 nan 8.230 nan 0.000 0.450 58 I N 0.231 120.782 120.570 -0.031 0.000 2.202 58 I HA -0.261 3.909 4.170 -0.001 0.000 0.242 58 I C 2.469 178.629 176.117 0.071 0.000 1.091 58 I CA 1.399 62.726 61.300 0.045 0.000 1.368 58 I CB -0.998 37.036 38.000 0.057 0.000 1.058 58 I HN 0.249 nan 8.210 nan 0.000 0.410 59 K N 1.033 121.458 120.400 0.043 0.000 2.160 59 K HA -0.145 4.174 4.320 -0.001 0.000 0.206 59 K C 1.887 178.498 176.600 0.017 0.000 1.047 59 K CA 1.509 57.819 56.287 0.038 0.000 0.930 59 K CB -0.018 32.489 32.500 0.013 0.000 0.720 59 K HN 0.295 nan 8.250 nan 0.000 0.450 60 A N 0.192 123.015 122.820 0.006 0.000 2.235 60 A HA -0.042 4.277 4.320 -0.001 0.000 0.208 60 A C 1.392 178.980 177.584 0.007 0.000 1.172 60 A CA 0.593 52.627 52.037 -0.005 0.000 0.786 60 A CB 0.007 19.004 19.000 -0.006 0.000 0.804 60 A HN 0.256 nan 8.150 nan 0.000 0.479 61 Q N -0.625 119.189 119.800 0.023 0.000 2.403 61 Q HA 0.184 4.524 4.340 -0.001 0.000 0.203 61 Q C -0.294 175.703 176.000 -0.005 0.000 0.932 61 Q CA 0.431 56.245 55.803 0.019 0.000 0.945 61 Q CB 0.277 29.038 28.738 0.038 0.000 1.045 61 Q HN 0.358 nan 8.270 nan 0.000 0.511 62 V N 2.286 122.199 119.914 -0.002 0.000 2.540 62 V HA 0.343 4.462 4.120 -0.001 0.000 0.302 62 V C -2.365 173.718 176.094 -0.018 0.000 1.035 62 V CA -2.236 60.058 62.300 -0.010 0.000 0.873 62 V CB 2.101 33.933 31.823 0.016 0.000 0.992 62 V HN -0.037 nan 8.190 nan 0.000 0.428 63 P HA 0.278 nan 4.420 nan 0.000 0.269 63 P C 1.029 178.312 177.300 -0.029 0.000 1.215 63 P CA 0.001 63.081 63.100 -0.032 0.000 0.780 63 P CB 0.819 32.501 31.700 -0.031 0.000 0.898 64 I N 3.294 123.840 120.570 -0.039 0.000 2.163 64 I HA -0.191 3.978 4.170 -0.001 0.000 0.243 64 I C -0.630 175.473 176.117 -0.024 0.000 1.085 64 I CA 1.811 63.090 61.300 -0.035 0.000 1.347 64 I CB -1.753 36.219 38.000 -0.047 0.000 1.044 64 I HN 0.427 nan 8.210 nan 0.000 0.408 65 P HA -0.131 nan 4.420 nan 0.000 0.226 65 P C 0.963 178.256 177.300 -0.011 0.000 1.146 65 P CA 1.076 64.166 63.100 -0.017 0.000 0.773 65 P CB 0.080 31.769 31.700 -0.018 0.000 0.772 66 L N -2.095 119.122 121.223 -0.010 0.000 2.818 66 L HA 0.411 4.750 4.340 -0.001 0.000 0.243 66 L C 1.589 178.464 176.870 0.008 0.000 1.185 66 L CA 0.511 55.351 54.840 -0.001 0.000 0.988 66 L CB -1.072 40.986 42.059 -0.002 0.000 1.292 66 L HN 0.137 nan 8.230 nan 0.000 0.519 67 G N -1.391 107.410 108.800 0.002 0.000 2.195 67 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.246 67 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.246 67 G C 0.754 175.658 174.900 0.008 0.000 0.984 67 G CA 0.102 45.206 45.100 0.006 0.000 0.633 67 G HN 0.627 nan 8.290 nan 0.000 0.525 68 G N -1.031 107.771 108.800 0.004 0.000 2.543 68 G HA2 0.629 4.589 3.960 -0.001 0.000 0.267 68 G HA3 0.629 4.589 3.960 -0.001 0.000 0.267 68 G C 0.898 175.786 174.900 -0.020 0.000 1.406 68 G CA 1.078 46.179 45.100 0.002 0.000 1.048 68 G HN 1.332 nan 8.290 nan 0.000 0.548 69 T N -2.881 111.656 114.554 -0.029 0.000 3.275 69 T HA 0.323 4.673 4.350 -0.001 0.000 0.298 69 T C 0.669 175.323 174.700 -0.077 0.000 0.988 69 T CA -0.218 61.850 62.100 -0.054 0.000 0.936 69 T CB -0.337 68.498 68.868 -0.055 0.000 1.159 69 T HN 0.405 nan 8.240 nan 0.000 0.519 70 M N 2.137 121.697 119.600 -0.067 0.000 2.269 70 M HA 0.215 4.694 4.480 -0.001 0.000 0.350 70 M C 0.878 177.086 176.300 -0.154 0.000 1.429 70 M CA 0.568 55.816 55.300 -0.087 0.000 1.063 70 M CB 0.642 33.209 32.600 -0.055 0.000 1.841 70 M HN 0.229 nan 8.290 nan 0.000 0.455 71 E N 2.127 122.159 120.200 -0.280 0.000 2.099 71 E HA 0.061 4.411 4.350 -0.001 0.000 0.191 71 E C 0.109 176.486 176.600 -0.372 0.000 0.962 71 E CA 0.675 56.794 56.400 -0.468 0.000 0.826 71 E CB 0.395 29.489 29.700 -1.010 0.000 0.788 71 E HN 0.843 nan 8.360 nan 0.000 0.461 72 S N -1.298 114.238 115.700 -0.275 0.000 2.636 72 S HA 0.181 4.650 4.470 -0.001 0.000 0.266 72 S C -0.024 174.593 174.600 0.028 0.000 1.147 72 S CA -0.744 57.430 58.200 -0.044 0.000 0.815 72 S CB 0.667 63.911 63.200 0.074 0.000 1.119 72 S HN -0.009 nan 8.310 nan 0.000 0.470 73 L N 1.454 122.687 121.223 0.016 0.000 2.240 73 L HA 0.187 4.526 4.340 -0.001 0.000 0.211 73 L C 2.554 179.422 176.870 -0.002 0.000 1.106 73 L CA 1.239 56.088 54.840 0.016 0.000 0.793 73 L CB -0.596 41.472 42.059 0.014 0.000 0.927 73 L HN 0.723 nan 8.230 nan 0.000 0.446 74 V N -1.061 118.811 119.914 -0.069 0.000 2.307 74 V HA -0.320 3.800 4.120 -0.001 0.000 0.245 74 V C 2.428 178.404 176.094 -0.196 0.000 1.045 74 V CA 1.664 63.796 62.300 -0.280 0.000 1.024 74 V CB -0.646 30.879 31.823 -0.497 0.000 0.651 74 V HN 0.458 nan 8.190 nan 0.000 0.449 75 H N 0.125 119.101 119.070 -0.157 0.000 2.289 75 H HA -0.236 4.319 4.556 -0.001 0.000 0.294 75 H C 2.311 177.629 175.328 -0.016 0.000 1.095 75 H CA 2.233 58.235 56.048 -0.076 0.000 1.256 75 H CB -0.217 29.512 29.762 -0.054 0.000 1.359 75 H HN 0.463 nan 8.280 nan 0.000 0.487 76 E N 0.348 120.627 120.200 0.132 0.000 2.085 76 E HA -0.160 4.189 4.350 -0.001 0.000 0.194 76 E C 2.278 178.944 176.600 0.111 0.000 0.994 76 E CA 1.628 58.090 56.400 0.103 0.000 0.801 76 E CB -0.197 29.544 29.700 0.069 0.000 0.743 76 E HN 0.312 nan 8.360 nan 0.000 0.453 77 S N -0.222 115.538 115.700 0.100 0.000 2.370 77 S HA -0.137 4.332 4.470 -0.001 0.000 0.226 77 S C 1.950 176.679 174.600 0.214 0.000 1.033 77 S CA 1.348 59.648 58.200 0.167 0.000 1.011 77 S CB -0.328 63.020 63.200 0.247 0.000 0.852 77 S HN 0.306 nan 8.310 nan 0.000 0.457 78 I N 1.078 121.757 120.570 0.182 0.000 2.202 78 I HA -0.162 4.008 4.170 -0.001 0.000 0.242 78 I C 2.028 178.255 176.117 0.183 0.000 1.091 78 I CA 1.097 62.518 61.300 0.202 0.000 1.368 78 I CB -0.378 37.689 38.000 0.111 0.000 1.058 78 I HN 0.237 nan 8.210 nan 0.000 0.410 79 I N 0.560 121.230 120.570 0.167 0.000 2.163 79 I HA -0.323 3.847 4.170 -0.001 0.000 0.243 79 I C 2.450 178.699 176.117 0.220 0.000 1.085 79 I CA 1.579 62.989 61.300 0.184 0.000 1.347 79 I CB -0.363 37.739 38.000 0.170 0.000 1.044 79 I HN 0.196 nan 8.210 nan 0.000 0.408 80 L N 0.183 121.541 121.223 0.225 0.000 2.046 80 L HA -0.235 4.105 4.340 -0.001 0.000 0.208 80 L C 2.623 179.693 176.870 0.334 0.000 1.077 80 L CA 1.545 56.567 54.840 0.305 0.000 0.747 80 L CB -0.746 41.422 42.059 0.182 0.000 0.896 80 L HN 0.342 nan 8.230 nan 0.000 0.432 81 E N 0.242 120.577 120.200 0.226 0.000 2.058 81 E HA -0.250 4.100 4.350 -0.001 0.000 0.194 81 E C 2.091 178.824 176.600 0.222 0.000 0.997 81 E CA 1.322 57.842 56.400 0.201 0.000 0.801 81 E CB 0.163 29.963 29.700 0.168 0.000 0.746 81 E HN 0.350 nan 8.360 nan 0.000 0.450 82 E N 0.400 120.722 120.200 0.202 0.000 2.077 82 E HA -0.180 4.169 4.350 -0.001 0.000 0.193 82 E C 2.158 178.860 176.600 0.170 0.000 0.989 82 E CA 0.570 57.072 56.400 0.170 0.000 0.800 82 E CB -0.332 29.462 29.700 0.156 0.000 0.746 82 E HN 0.233 nan 8.360 nan 0.000 0.452 83 L N -0.096 121.253 121.223 0.210 0.000 1.970 83 L HA -0.146 4.193 4.340 -0.001 0.000 0.212 83 L C 2.299 179.219 176.870 0.084 0.000 1.071 83 L CA 1.575 56.507 54.840 0.153 0.000 0.751 83 L CB -1.104 41.065 42.059 0.184 0.000 0.889 83 L HN 0.090 nan 8.230 nan 0.000 0.432 84 F N -0.648 119.375 119.950 0.121 0.000 2.451 84 F HA -0.054 4.473 4.527 -0.001 0.000 0.299 84 F C 2.268 178.128 175.800 0.100 0.000 1.101 84 F CA 0.767 58.843 58.000 0.127 0.000 1.436 84 F CB -0.707 38.375 39.000 0.136 0.000 1.074 84 F HN 0.075 nan 8.300 nan 0.000 0.553 85 A N -0.858 122.092 122.820 0.217 0.000 2.168 85 A HA 0.079 4.398 4.320 -0.001 0.000 0.215 85 A C 1.936 179.556 177.584 0.061 0.000 1.152 85 A CA 1.418 53.535 52.037 0.133 0.000 0.716 85 A CB -0.487 18.586 19.000 0.121 0.000 0.794 85 A HN 0.204 nan 8.150 nan 0.000 0.465 86 V N -1.603 118.331 119.914 0.034 0.000 2.996 86 V HA 0.225 4.345 4.120 -0.001 0.000 0.235 86 V C 0.181 176.248 176.094 -0.045 0.000 1.205 86 V CA 0.904 63.193 62.300 -0.018 0.000 1.225 86 V CB 0.481 32.284 31.823 -0.034 0.000 0.995 86 V HN 0.472 nan 8.190 nan 0.000 0.484 87 E N -0.140 120.018 120.200 -0.070 0.000 2.499 87 E HA 0.322 4.671 4.350 -0.001 0.000 0.327 87 E C -2.619 173.861 176.600 -0.200 0.000 0.929 87 E CA -1.252 55.090 56.400 -0.097 0.000 0.788 87 E CB 2.001 31.640 29.700 -0.100 0.000 1.452 87 E HN 0.058 nan 8.360 nan 0.000 0.387 88 P HA 0.064 nan 4.420 nan 0.000 0.226 88 P C -0.149 177.054 177.300 -0.162 0.000 1.153 88 P CA 0.595 63.480 63.100 -0.357 0.000 0.777 88 P CB 0.258 32.019 31.700 0.102 0.000 0.794 89 A N -0.716 122.042 122.820 -0.104 0.000 2.445 89 A HA 0.292 4.611 4.320 -0.001 0.000 0.242 89 A C 1.400 178.992 177.584 0.013 0.000 1.075 89 A CA 1.047 53.038 52.037 -0.076 0.000 0.777 89 A CB -0.865 18.014 19.000 -0.202 0.000 1.013 89 A HN 0.180 nan 8.150 nan 0.000 0.493 90 T N 1.158 115.798 114.554 0.143 0.000 11.701 90 T HA -0.288 4.061 4.350 -0.001 0.000 0.417 90 T C 1.910 176.763 174.700 0.255 0.000 1.459 90 T CA 2.388 64.661 62.100 0.289 0.000 2.421 90 T CB -1.718 67.364 68.868 0.356 0.000 2.867 90 T HN 0.841 nan 8.240 nan 0.000 0.931 91 S N 0.423 116.159 115.700 0.060 0.000 2.359 91 S HA -0.045 4.425 4.470 -0.001 0.000 0.224 91 S C 1.800 176.481 174.600 0.136 0.000 1.035 91 S CA 1.645 59.819 58.200 -0.044 0.000 1.018 91 S CB -0.355 62.476 63.200 -0.615 0.000 0.876 91 S HN 0.546 nan 8.310 nan 0.000 0.448 92 I N 1.737 122.391 120.570 0.140 0.000 2.335 92 I HA -0.198 3.971 4.170 -0.001 0.000 0.251 92 I C 2.044 178.328 176.117 0.278 0.000 1.129 92 I CA 1.419 62.924 61.300 0.343 0.000 1.402 92 I CB -0.490 37.664 38.000 0.257 0.000 1.069 92 I HN 0.222 nan 8.210 nan 0.000 0.424 93 T N 0.534 115.249 114.554 0.269 0.000 2.857 93 T HA -0.043 4.306 4.350 -0.001 0.000 0.266 93 T C 1.952 176.856 174.700 0.339 0.000 1.048 93 T CA 1.674 63.922 62.100 0.247 0.000 1.139 93 T CB -0.285 68.715 68.868 0.220 0.000 0.874 93 T HN 0.302 nan 8.240 nan 0.000 0.455 94 I N 1.786 122.611 120.570 0.425 0.000 2.142 94 I HA -0.172 3.997 4.170 -0.001 0.000 0.240 94 I C 2.690 178.965 176.117 0.263 0.000 1.078 94 I CA 1.233 62.763 61.300 0.384 0.000 1.343 94 I CB -0.565 37.611 38.000 0.292 0.000 1.046 94 I HN 0.169 nan 8.210 nan 0.000 0.405 95 V N -0.877 119.193 119.914 0.259 0.000 2.759 95 V HA -0.076 4.043 4.120 -0.001 0.000 0.256 95 V C 2.429 178.593 176.094 0.117 0.000 1.080 95 V CA 1.469 63.880 62.300 0.185 0.000 1.101 95 V CB -1.057 30.896 31.823 0.216 0.000 0.698 95 V HN 0.322 nan 8.190 nan 0.000 0.477 96 A N 0.753 123.655 122.820 0.137 0.000 1.929 96 A HA -0.069 4.250 4.320 -0.001 0.000 0.216 96 A C 2.319 179.923 177.584 0.033 0.000 1.176 96 A CA 2.177 54.255 52.037 0.069 0.000 0.628 96 A CB -1.102 17.941 19.000 0.072 0.000 0.816 96 A HN 0.537 nan 8.150 nan 0.000 0.444 97 T N 0.360 114.970 114.554 0.093 0.000 2.777 97 T HA 0.006 4.356 4.350 -0.001 0.000 0.266 97 T C 2.251 176.931 174.700 -0.033 0.000 1.040 97 T CA 1.435 63.584 62.100 0.082 0.000 1.141 97 T CB -0.428 68.607 68.868 0.278 0.000 0.868 97 T HN 0.573 nan 8.240 nan 0.000 0.444 98 A N 1.810 124.634 122.820 0.007 0.000 1.883 98 A HA -0.037 4.283 4.320 -0.001 0.000 0.217 98 A C 2.281 179.799 177.584 -0.109 0.000 1.186 98 A CA 1.193 53.204 52.037 -0.044 0.000 0.624 98 A CB -0.934 18.069 19.000 0.005 0.000 0.822 98 A HN 0.438 nan 8.150 nan 0.000 0.444 99 L N -0.397 120.759 121.223 -0.111 0.000 2.131 99 L HA -0.113 4.226 4.340 -0.001 0.000 0.210 99 L C 2.346 179.081 176.870 -0.225 0.000 1.092 99 L CA 2.046 56.768 54.840 -0.197 0.000 0.759 99 L CB -1.200 40.734 42.059 -0.208 0.000 0.903 99 L HN 0.452 nan 8.230 nan 0.000 0.435 100 G N -0.328 108.368 108.800 -0.173 0.000 2.421 100 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.217 100 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.217 100 G C 1.589 176.352 174.900 -0.228 0.000 1.143 100 G CA 0.354 45.347 45.100 -0.178 0.000 0.784 100 G HN 0.398 nan 8.290 nan 0.000 0.541 101 L N -0.369 120.696 121.223 -0.265 0.000 2.375 101 L HA 0.186 4.525 4.340 -0.001 0.000 0.215 101 L C 2.885 179.636 176.870 -0.198 0.000 1.108 101 L CA 0.036 54.699 54.840 -0.295 0.000 0.830 101 L CB -0.271 41.565 42.059 -0.371 0.000 0.959 101 L HN 0.175 nan 8.230 nan 0.000 0.457 102 M N 0.370 119.860 119.600 -0.184 0.000 2.088 102 M HA -0.209 4.271 4.480 -0.001 0.000 0.256 102 M C -0.399 175.815 176.300 -0.145 0.000 1.071 102 M CA 2.478 57.683 55.300 -0.158 0.000 1.097 102 M CB -1.264 31.227 32.600 -0.181 0.000 1.315 102 M HN 0.102 nan 8.290 nan 0.000 0.406 103 P HA -0.062 nan 4.420 nan 0.000 0.221 103 P C 1.450 178.685 177.300 -0.109 0.000 1.150 103 P CA 1.012 64.032 63.100 -0.133 0.000 0.800 103 P CB -0.069 31.548 31.700 -0.138 0.000 0.787 104 V N -0.473 119.376 119.914 -0.108 0.000 2.453 104 V HA -0.179 3.941 4.120 -0.001 0.000 0.247 104 V C 2.283 178.347 176.094 -0.051 0.000 1.048 104 V CA 1.407 63.668 62.300 -0.065 0.000 1.049 104 V CB -0.982 30.816 31.823 -0.043 0.000 0.672 104 V HN 0.053 nan 8.190 nan 0.000 0.457 105 I N -0.527 120.000 120.570 -0.072 0.000 2.394 105 I HA -0.195 3.975 4.170 -0.001 0.000 0.251 105 I C 1.920 178.003 176.117 -0.057 0.000 1.136 105 I CA 1.562 62.827 61.300 -0.059 0.000 1.425 105 I CB -0.013 37.944 38.000 -0.070 0.000 1.079 105 I HN 0.259 nan 8.210 nan 0.000 0.425 106 L N -0.082 121.097 121.223 -0.073 0.000 2.590 106 L HA 0.113 4.452 4.340 -0.001 0.000 0.227 106 L C 1.209 178.033 176.870 -0.078 0.000 1.099 106 L CA -0.445 54.347 54.840 -0.080 0.000 0.872 106 L CB -0.005 41.992 42.059 -0.103 0.000 1.088 106 L HN 0.393 nan 8.230 nan 0.000 0.479 107 C N -0.626 118.634 119.300 -0.066 0.000 2.604 107 C HA 0.278 4.737 4.460 -0.001 0.000 0.396 107 C C 1.159 176.124 174.990 -0.041 0.000 1.282 107 C CA -0.620 58.364 59.018 -0.057 0.000 2.292 107 C CB 0.438 28.148 27.740 -0.051 0.000 2.633 107 C HN 0.567 nan 8.230 nan 0.000 0.620 108 D N 0.713 121.091 120.400 -0.036 0.000 2.460 108 D HA 0.155 4.794 4.640 -0.001 0.000 0.229 108 D C 0.318 176.609 176.300 -0.014 0.000 1.170 108 D CA 0.123 54.107 54.000 -0.027 0.000 0.827 108 D CB -0.277 40.505 40.800 -0.029 0.000 0.973 108 D HN 0.560 nan 8.370 nan 0.000 0.496 109 S N 0.576 116.271 115.700 -0.008 0.000 2.505 109 S HA 0.349 4.818 4.470 -0.001 0.000 0.280 109 S C -1.744 172.865 174.600 0.014 0.000 1.197 109 S CA -1.469 56.733 58.200 0.004 0.000 1.138 109 S CB 1.098 64.302 63.200 0.007 0.000 1.010 109 S HN -0.183 nan 8.310 nan 0.000 0.480 110 P HA -0.147 nan 4.420 nan 0.000 0.217 110 P C 1.622 178.928 177.300 0.011 0.000 1.148 110 P CA 1.306 64.411 63.100 0.008 0.000 0.828 110 P CB 0.020 31.721 31.700 0.003 0.000 0.783 111 S N -1.654 114.053 115.700 0.012 0.000 2.406 111 S HA -0.076 4.393 4.470 -0.001 0.000 0.228 111 S C 1.828 176.431 174.600 0.005 0.000 1.020 111 S CA 0.774 58.974 58.200 0.001 0.000 0.965 111 S CB -1.375 61.825 63.200 0.001 0.000 0.798 111 S HN -0.067 nan 8.310 nan 0.000 0.488 112 L N 2.085 123.345 121.223 0.061 0.000 1.994 112 L HA -0.022 4.317 4.340 -0.001 0.000 0.208 112 L C 2.951 179.920 176.870 0.164 0.000 1.071 112 L CA 1.768 56.712 54.840 0.172 0.000 0.745 112 L CB -1.183 41.000 42.059 0.206 0.000 0.892 112 L HN 0.384 nan 8.230 nan 0.000 0.431 113 Q N -1.059 118.798 119.800 0.095 0.000 2.112 113 Q HA -0.254 4.085 4.340 -0.001 0.000 0.206 113 Q C 2.179 178.212 176.000 0.056 0.000 0.987 113 Q CA 1.550 57.398 55.803 0.075 0.000 0.858 113 Q CB -0.267 28.492 28.738 0.036 0.000 0.905 113 Q HN 0.457 nan 8.270 nan 0.000 0.420 114 E N 1.172 121.383 120.200 0.017 0.000 2.051 114 E HA -0.190 4.159 4.350 -0.001 0.000 0.192 114 E C 1.867 178.442 176.600 -0.042 0.000 0.991 114 E CA 1.118 57.514 56.400 -0.008 0.000 0.799 114 E CB 0.069 29.755 29.700 -0.022 0.000 0.748 114 E HN 0.207 nan 8.360 nan 0.000 0.449 115 K N -0.753 119.572 120.400 -0.126 0.000 2.007 115 K HA -0.098 4.221 4.320 -0.001 0.000 0.206 115 K C 2.120 178.537 176.600 -0.305 0.000 1.047 115 K CA 1.245 57.340 56.287 -0.320 0.000 0.937 115 K CB -0.145 31.985 32.500 -0.616 0.000 0.718 115 K HN 0.011 nan 8.250 nan 0.000 0.438 116 F N 0.864 120.857 119.950 0.072 0.000 2.416 116 F HA 0.080 4.607 4.527 -0.001 0.000 0.296 116 F C 1.762 177.681 175.800 0.199 0.000 1.099 116 F CA 0.477 58.547 58.000 0.116 0.000 1.427 116 F CB -0.014 39.032 39.000 0.077 0.000 1.079 116 F HN -0.049 nan 8.300 nan 0.000 0.536 117 L N -0.206 121.188 121.223 0.286 0.000 2.554 117 L HA -0.041 4.298 4.340 -0.001 0.000 0.226 117 L C 2.374 179.424 176.870 0.300 0.000 1.137 117 L CA 0.452 55.467 54.840 0.292 0.000 0.863 117 L CB -0.483 41.662 42.059 0.144 0.000 0.985 117 L HN 0.084 nan 8.230 nan 0.000 0.451 118 K N 1.264 121.775 120.400 0.185 0.000 2.044 118 K HA -0.185 4.134 4.320 -0.001 0.000 0.210 118 K C -0.512 176.139 176.600 0.085 0.000 1.049 118 K CA 1.654 58.001 56.287 0.100 0.000 0.927 118 K CB -0.697 31.823 32.500 0.033 0.000 0.713 118 K HN 0.220 nan 8.250 nan 0.000 0.443 119 P HA -0.085 nan 4.420 nan 0.000 0.221 119 P C 0.653 177.849 177.300 -0.173 0.000 1.150 119 P CA 1.110 64.136 63.100 -0.124 0.000 0.800 119 P CB -0.028 31.497 31.700 -0.291 0.000 0.787 120 F N -0.595 119.400 119.950 0.074 0.000 2.661 120 F HA 0.086 4.613 4.527 -0.001 0.000 0.298 120 F C 1.890 177.713 175.800 0.039 0.000 1.137 120 F CA 0.547 58.589 58.000 0.070 0.000 1.454 120 F CB -0.735 38.312 39.000 0.078 0.000 1.103 120 F HN -0.075 nan 8.300 nan 0.000 0.577 121 I N -3.174 117.498 120.570 0.170 0.000 4.082 121 I HA 0.177 4.346 4.170 -0.001 0.000 0.337 121 I C 1.889 178.033 176.117 0.045 0.000 1.352 121 I CA 0.410 61.767 61.300 0.096 0.000 1.097 121 I CB -0.296 37.755 38.000 0.084 0.000 1.048 121 I HN -0.004 nan 8.210 nan 0.000 0.393 122 S N 1.306 117.024 115.700 0.029 0.000 2.428 122 S HA 0.136 4.605 4.470 -0.001 0.000 0.230 122 S C 1.814 176.413 174.600 -0.002 0.000 1.014 122 S CA 0.679 58.882 58.200 0.004 0.000 0.957 122 S CB -0.703 62.490 63.200 -0.012 0.000 0.784 122 S HN 0.938 nan 8.310 nan 0.000 0.499 123 G N 0.649 109.448 108.800 -0.001 0.000 2.198 123 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.257 123 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.257 123 G C -0.297 174.595 174.900 -0.014 0.000 1.042 123 G CA 0.387 45.482 45.100 -0.009 0.000 0.791 123 G HN 0.760 nan 8.290 nan 0.000 0.502 124 E N -1.012 119.178 120.200 -0.016 0.000 2.372 124 E HA 0.540 4.889 4.350 -0.001 0.000 0.279 124 E C 0.718 177.313 176.600 -0.009 0.000 0.946 124 E CA 0.124 56.516 56.400 -0.014 0.000 0.769 124 E CB 1.515 31.205 29.700 -0.016 0.000 1.230 124 E HN 1.668 nan 8.360 nan 0.000 0.442 125 G N 2.678 111.478 108.800 0.001 0.000 2.601 125 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.252 125 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.252 125 G C -0.541 174.409 174.900 0.083 0.000 1.294 125 G CA 0.270 45.385 45.100 0.024 0.000 0.912 125 G HN 0.522 nan 8.290 nan 0.000 0.574 126 E N 1.271 121.581 120.200 0.184 0.000 3.898 126 E HA 0.386 4.735 4.350 -0.001 0.000 0.219 126 E C -2.438 174.524 176.600 0.603 0.000 1.207 126 E CA -1.148 55.531 56.400 0.466 0.000 1.240 126 E CB 1.534 31.521 29.700 0.479 0.000 1.239 126 E HN 0.524 nan 8.360 nan 0.000 0.422 127 P HA 0.146 nan 4.420 nan 0.000 0.275 127 P C -0.529 176.970 177.300 0.332 0.000 1.227 127 P CA -0.174 62.970 63.100 0.073 0.000 0.781 127 P CB 1.212 32.574 31.700 -0.565 0.000 0.906 128 L N 1.808 123.189 121.223 0.263 0.000 2.362 128 L HA 0.808 5.147 4.340 -0.001 0.000 0.271 128 L C 0.236 177.355 176.870 0.416 0.000 1.002 128 L CA -0.863 54.139 54.840 0.270 0.000 0.818 128 L CB 2.090 44.057 42.059 -0.153 0.000 1.298 128 L HN 0.391 nan 8.230 nan 0.000 0.420 129 A N 1.406 124.417 122.820 0.319 0.000 2.430 129 A HA 0.901 5.220 4.320 -0.001 0.000 0.300 129 A C -0.938 176.658 177.584 0.019 0.000 1.124 129 A CA -0.563 51.548 52.037 0.124 0.000 0.766 129 A CB 2.140 21.050 19.000 -0.149 0.000 1.328 129 A HN 0.506 nan 8.150 nan 0.000 0.424 130 S N -0.369 115.324 115.700 -0.013 0.000 2.543 130 S HA 0.510 4.979 4.470 -0.001 0.000 0.271 130 S C -1.959 172.614 174.600 -0.045 0.000 1.148 130 S CA -0.420 57.766 58.200 -0.022 0.000 0.914 130 S CB 1.221 64.425 63.200 0.007 0.000 1.096 130 S HN 1.300 nan 8.310 nan 0.000 0.471 131 L N 5.904 127.090 121.223 -0.061 0.000 2.287 131 L HA 0.571 4.910 4.340 -0.001 0.000 0.280 131 L C -0.531 176.357 176.870 0.031 0.000 1.055 131 L CA 0.008 54.807 54.840 -0.067 0.000 0.863 131 L CB 0.151 42.089 42.059 -0.201 0.000 1.245 131 L HN 0.757 nan 8.230 nan 0.000 0.432 132 M N 4.940 124.566 119.600 0.044 0.000 2.557 132 M HA 0.155 4.634 4.480 -0.001 0.000 0.328 132 M C 0.572 176.927 176.300 0.092 0.000 1.423 132 M CA 0.097 55.444 55.300 0.077 0.000 1.418 132 M CB 0.100 32.750 32.600 0.084 0.000 1.381 132 M HN 0.617 nan 8.290 nan 0.000 0.467 133 H N 0.232 119.308 119.070 0.011 0.000 2.545 133 H HA 0.275 4.830 4.556 -0.001 0.000 0.251 133 H C 0.160 175.421 175.328 -0.112 0.000 0.934 133 H CA 0.220 56.222 56.048 -0.077 0.000 1.116 133 H CB 0.837 30.556 29.762 -0.073 0.000 1.439 133 H HN 0.455 nan 8.280 nan 0.000 0.445 134 S N 1.225 116.970 115.700 0.075 0.000 2.579 134 S HA 0.180 4.650 4.470 -0.001 0.000 0.275 134 S C -0.153 174.465 174.600 0.029 0.000 1.345 134 S CA 0.039 58.281 58.200 0.071 0.000 1.031 134 S CB 1.239 64.571 63.200 0.219 0.000 0.892 134 S HN 0.376 nan 8.310 nan 0.000 0.529 135 E N 0.871 121.091 120.200 0.033 0.000 2.383 135 E HA 0.248 4.597 4.350 -0.001 0.000 0.275 135 E C -2.076 174.506 176.600 -0.030 0.000 0.918 135 E CA -2.035 54.339 56.400 -0.043 0.000 0.764 135 E CB 1.646 31.307 29.700 -0.066 0.000 1.252 135 E HN 0.172 nan 8.360 nan 0.000 0.449 136 P HA -0.214 nan 4.420 nan 0.000 0.217 136 P C 0.209 177.500 177.300 -0.015 0.000 1.158 136 P CA 1.620 64.637 63.100 -0.139 0.000 0.887 136 P CB 0.098 31.691 31.700 -0.178 0.000 0.792 137 N N -1.216 117.481 118.700 -0.005 0.000 2.461 137 N HA 0.191 4.931 4.740 -0.001 0.000 0.188 137 N C 0.782 176.313 175.510 0.035 0.000 1.134 137 N CA 0.229 53.290 53.050 0.019 0.000 0.878 137 N CB 0.029 38.525 38.487 0.016 0.000 0.972 137 N HN 0.154 nan 8.380 nan 0.000 0.456 138 G N 0.517 109.345 108.800 0.047 0.000 2.757 138 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.638 138 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.638 138 G C 0.300 175.210 174.900 0.017 0.000 1.344 138 G CA -0.028 45.099 45.100 0.046 0.000 0.855 138 G HN 0.214 nan 8.290 nan 0.000 0.537 139 T N -3.661 110.892 114.554 -0.001 0.000 3.131 139 T HA 0.575 4.924 4.350 -0.001 0.000 0.283 139 T C 2.136 176.879 174.700 0.071 0.000 0.906 139 T CA 1.376 63.469 62.100 -0.011 0.000 0.882 139 T CB 0.351 69.123 68.868 -0.161 0.000 1.208 139 T HN 2.120 nan 8.240 nan 0.000 0.561 140 A N 2.231 125.078 122.820 0.046 0.000 2.186 140 A HA 0.004 4.323 4.320 -0.001 0.000 0.219 140 A C 1.563 179.241 177.584 0.156 0.000 1.159 140 A CA 1.412 53.493 52.037 0.072 0.000 0.680 140 A CB -0.751 18.259 19.000 0.017 0.000 0.787 140 A HN 0.619 nan 8.150 nan 0.000 0.467 141 N N -1.176 117.631 118.700 0.178 0.000 2.197 141 N HA 0.071 4.810 4.740 -0.001 0.000 0.228 141 N C 0.971 176.589 175.510 0.180 0.000 1.212 141 N CA 0.102 53.238 53.050 0.143 0.000 0.883 141 N CB 0.179 38.711 38.487 0.075 0.000 1.107 141 N HN 0.784 nan 8.380 nan 0.000 0.519 142 W N 0.471 121.769 121.300 -0.003 0.000 2.387 142 W HA -0.026 4.633 4.660 -0.001 0.000 0.272 142 W C -0.090 176.431 176.519 0.003 0.000 1.224 142 W CA 0.530 57.873 57.345 -0.003 0.000 1.210 142 W CB -0.680 28.784 29.460 0.007 0.000 1.125 142 W HN 0.086 nan 8.180 nan 0.000 0.572 143 L N 1.035 121.993 121.223 -0.443 0.000 2.769 143 L HA 0.208 4.548 4.340 -0.001 0.000 0.240 143 L C 1.172 177.905 176.870 -0.228 0.000 1.163 143 L CA -0.061 54.464 54.840 -0.526 0.000 0.962 143 L CB -0.351 41.280 42.059 -0.712 0.000 1.258 143 L HN -0.112 nan 8.230 nan 0.000 0.513 144 Q N 2.598 122.330 119.800 -0.114 0.000 2.281 144 Q HA 0.024 4.364 4.340 -0.001 0.000 0.267 144 Q C 0.063 176.026 176.000 -0.062 0.000 1.053 144 Q CA -0.019 55.745 55.803 -0.065 0.000 0.905 144 Q CB 0.779 29.504 28.738 -0.022 0.000 1.195 144 Q HN 0.080 nan 8.270 nan 0.000 0.398 145 K N 3.106 123.469 120.400 -0.062 0.000 2.419 145 K HA 0.058 4.377 4.320 -0.001 0.000 0.282 145 K C 0.523 177.104 176.600 -0.031 0.000 1.056 145 K CA 1.183 57.441 56.287 -0.049 0.000 1.035 145 K CB -0.160 32.313 32.500 -0.045 0.000 0.921 145 K HN 0.917 nan 8.250 nan 0.000 0.472 146 G N 2.466 111.251 108.800 -0.025 0.000 2.231 146 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.206 146 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.206 146 G C 0.309 175.204 174.900 -0.009 0.000 0.996 146 G CA -0.305 44.786 45.100 -0.015 0.000 0.645 146 G HN 0.927 nan 8.290 nan 0.000 0.498 147 G N 0.134 108.928 108.800 -0.009 0.000 2.522 147 G HA2 0.653 4.613 3.960 -0.001 0.000 0.304 147 G HA3 0.653 4.613 3.960 -0.001 0.000 0.304 147 G C -0.443 174.461 174.900 0.007 0.000 1.210 147 G CA -0.322 44.779 45.100 0.002 0.000 0.960 147 G HN 0.058 nan 8.290 nan 0.000 0.497 148 P HA 0.064 nan 4.420 nan 0.000 0.226 148 P C 1.245 178.563 177.300 0.029 0.000 1.153 148 P CA 1.190 64.303 63.100 0.021 0.000 0.777 148 P CB -0.085 31.629 31.700 0.024 0.000 0.794 149 G N 0.548 109.372 108.800 0.039 0.000 2.806 149 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.236 149 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.236 149 G C -0.361 174.590 174.900 0.085 0.000 1.387 149 G CA -0.516 44.623 45.100 0.064 0.000 0.884 149 G HN 0.288 nan 8.290 nan 0.000 0.560 150 L N 0.211 121.508 121.223 0.123 0.000 2.554 150 L HA -0.007 4.333 4.340 -0.001 0.000 0.293 150 L C 1.672 178.565 176.870 0.038 0.000 1.252 150 L CA 0.433 55.316 54.840 0.071 0.000 0.862 150 L CB 0.289 42.389 42.059 0.069 0.000 1.113 150 L HN 0.622 nan 8.230 nan 0.000 0.510 151 Q N 0.378 120.187 119.800 0.015 0.000 2.282 151 Q HA 0.124 4.463 4.340 -0.001 0.000 0.206 151 Q C -0.020 175.994 176.000 0.023 0.000 0.878 151 Q CA 0.213 56.028 55.803 0.021 0.000 0.944 151 Q CB 0.594 29.343 28.738 0.018 0.000 1.100 151 Q HN 0.632 nan 8.270 nan 0.000 0.509 152 T N 2.566 117.124 114.554 0.007 0.000 2.729 152 T HA 0.329 4.678 4.350 -0.001 0.000 0.296 152 T C 0.272 174.969 174.700 -0.005 0.000 0.928 152 T CA -0.108 61.994 62.100 0.004 0.000 1.045 152 T CB 0.842 69.693 68.868 -0.028 0.000 0.902 152 T HN 0.182 nan 8.240 nan 0.000 0.500 153 T N 0.161 114.724 114.554 0.015 0.000 2.924 153 T HA 0.849 5.199 4.350 -0.001 0.000 0.291 153 T C -0.631 174.096 174.700 0.046 0.000 1.045 153 T CA -1.109 61.011 62.100 0.033 0.000 1.015 153 T CB 1.994 70.891 68.868 0.049 0.000 1.103 153 T HN 0.623 nan 8.240 nan 0.000 0.496 154 A N 2.001 124.875 122.820 0.090 0.000 2.414 154 A HA 0.865 5.184 4.320 -0.001 0.000 0.306 154 A C -0.292 177.460 177.584 0.279 0.000 1.054 154 A CA -1.288 50.861 52.037 0.187 0.000 0.724 154 A CB 1.330 20.441 19.000 0.185 0.000 1.267 154 A HN 1.135 nan 8.150 nan 0.000 0.418 155 R N 1.299 121.952 120.500 0.254 0.000 2.686 155 R HA 0.642 4.981 4.340 -0.001 0.000 0.286 155 R C -0.813 175.460 176.300 -0.046 0.000 0.969 155 R CA -0.821 55.359 56.100 0.134 0.000 0.898 155 R CB 1.730 32.053 30.300 0.039 0.000 1.183 155 R HN 0.535 nan 8.270 nan 0.000 0.456 156 K N 2.214 122.353 120.400 -0.435 0.000 2.312 156 K HA 0.215 4.534 4.320 -0.001 0.000 0.287 156 K C -1.090 175.271 176.600 -0.399 0.000 1.062 156 K CA -0.429 55.350 56.287 -0.847 0.000 0.934 156 K CB 1.150 32.941 32.500 -1.182 0.000 1.027 156 K HN 0.440 nan 8.250 nan 0.000 0.478 157 V N 5.424 125.153 119.914 -0.307 0.000 2.325 157 V HA 0.307 4.426 4.120 -0.001 0.000 0.280 157 V C 0.837 176.847 176.094 -0.140 0.000 1.016 157 V CA 0.336 62.543 62.300 -0.156 0.000 0.818 157 V CB 0.380 32.172 31.823 -0.051 0.000 1.019 157 V HN 1.212 nan 8.190 nan 0.000 0.434 158 G N 4.816 113.525 108.800 -0.151 0.000 2.675 158 G HA2 -0.390 3.570 3.960 -0.001 0.000 0.312 158 G HA3 -0.390 3.570 3.960 -0.001 0.000 0.312 158 G C 0.932 175.728 174.900 -0.173 0.000 1.186 158 G CA 0.965 45.989 45.100 -0.128 0.000 0.965 158 G HN 0.665 nan 8.290 nan 0.000 0.548 159 N N 2.145 120.774 118.700 -0.119 0.000 2.205 159 N HA 0.150 4.889 4.740 -0.001 0.000 0.201 159 N C 0.402 175.895 175.510 -0.028 0.000 1.128 159 N CA 0.926 53.917 53.050 -0.099 0.000 0.867 159 N CB 0.288 38.752 38.487 -0.040 0.000 0.996 159 N HN 0.816 nan 8.380 nan 0.000 0.503 160 E N -0.776 119.393 120.200 -0.052 0.000 2.445 160 E HA 0.240 4.589 4.350 -0.001 0.000 0.273 160 E C -1.511 175.044 176.600 -0.075 0.000 0.961 160 E CA -0.960 55.481 56.400 0.068 0.000 0.807 160 E CB 0.706 30.497 29.700 0.152 0.000 1.362 160 E HN -0.013 nan 8.360 nan 0.000 0.453 161 W N 0.570 121.919 121.300 0.082 0.000 2.551 161 W HA 0.507 5.167 4.660 -0.001 0.000 0.330 161 W C -0.884 175.617 176.519 -0.030 0.000 1.063 161 W CA -0.602 56.766 57.345 0.037 0.000 1.222 161 W CB 2.013 31.500 29.460 0.045 0.000 1.349 161 W HN 0.224 nan 8.180 nan 0.000 0.536 162 V N 5.040 125.035 119.914 0.135 0.000 2.417 162 V HA 0.428 4.548 4.120 -0.001 0.000 0.291 162 V C -0.131 176.011 176.094 0.079 0.000 1.024 162 V CA -1.014 61.263 62.300 -0.038 0.000 0.861 162 V CB 1.153 32.856 31.823 -0.198 0.000 0.985 162 V HN 0.365 nan 8.190 nan 0.000 0.436 163 I N 3.721 124.356 120.570 0.108 0.000 2.354 163 I HA 0.475 4.644 4.170 -0.001 0.000 0.292 163 I C -0.081 176.118 176.117 0.136 0.000 0.989 163 I CA 0.068 61.420 61.300 0.087 0.000 1.188 163 I CB 1.826 39.796 38.000 -0.051 0.000 1.342 163 I HN 0.590 nan 8.210 nan 0.000 0.457 164 S N 4.366 120.124 115.700 0.096 0.000 2.659 164 S HA 0.898 5.367 4.470 -0.001 0.000 0.312 164 S C -0.026 174.641 174.600 0.111 0.000 1.114 164 S CA -0.750 57.521 58.200 0.119 0.000 1.063 164 S CB 1.803 65.052 63.200 0.082 0.000 0.996 164 S HN 1.099 nan 8.310 nan 0.000 0.478 165 G N 2.312 111.208 108.800 0.160 0.000 2.369 165 G HA2 0.283 4.242 3.960 -0.001 0.000 0.295 165 G HA3 0.283 4.242 3.960 -0.001 0.000 0.295 165 G C -2.186 172.827 174.900 0.188 0.000 1.298 165 G CA -0.945 44.235 45.100 0.133 0.000 0.940 165 G HN 0.543 nan 8.290 nan 0.000 0.536 166 E N 0.097 120.364 120.200 0.111 0.000 2.199 166 E HA 0.572 4.921 4.350 -0.001 0.000 0.269 166 E C -0.595 176.014 176.600 0.014 0.000 0.899 166 E CA -0.948 55.490 56.400 0.064 0.000 0.772 166 E CB 1.968 31.703 29.700 0.059 0.000 1.155 166 E HN 0.275 nan 8.360 nan 0.000 0.408 167 K N 2.146 122.536 120.400 -0.017 0.000 2.259 167 K HA 0.567 4.886 4.320 -0.001 0.000 0.249 167 K C -0.926 175.532 176.600 -0.238 0.000 0.942 167 K CA -0.757 55.491 56.287 -0.066 0.000 0.816 167 K CB 1.905 34.442 32.500 0.062 0.000 1.155 167 K HN 0.442 nan 8.250 nan 0.000 0.428 168 L N 2.064 123.139 121.223 -0.247 0.000 2.431 168 L HA 0.320 4.659 4.340 -0.001 0.000 0.266 168 L C -0.732 176.024 176.870 -0.191 0.000 0.978 168 L CA -0.167 54.400 54.840 -0.455 0.000 0.822 168 L CB 1.189 42.800 42.059 -0.746 0.000 1.310 168 L HN 0.938 nan 8.230 nan 0.000 0.409 169 W N 0.721 121.962 121.300 -0.099 0.000 0.539 169 W HA -0.204 4.455 4.660 -0.001 0.000 0.218 169 W C -1.717 174.781 176.519 -0.035 0.000 0.924 169 W CA -0.241 57.072 57.345 -0.053 0.000 0.335 169 W CB -2.015 27.427 29.460 -0.030 0.000 1.919 169 W HN 0.330 nan 8.180 nan 0.000 1.141 170 P HA 0.087 nan 4.420 nan 0.000 0.258 170 P C 0.313 177.642 177.300 0.048 0.000 1.172 170 P CA 1.182 64.348 63.100 0.110 0.000 0.762 170 P CB 0.896 32.642 31.700 0.077 0.000 0.764 171 S N 3.392 119.118 115.700 0.043 0.000 2.585 171 S HA 0.075 4.544 4.470 -0.001 0.000 0.273 171 S C 1.097 175.645 174.600 -0.086 0.000 1.339 171 S CA -0.114 58.069 58.200 -0.028 0.000 1.028 171 S CB -0.218 62.990 63.200 0.013 0.000 0.906 171 S HN 0.501 nan 8.310 nan 0.000 0.528 172 N N 0.423 118.993 118.700 -0.217 0.000 2.895 172 N HA -0.232 4.507 4.740 -0.001 0.000 0.237 172 N C 1.362 176.808 175.510 -0.107 0.000 0.934 172 N CA 1.514 54.431 53.050 -0.222 0.000 0.984 172 N CB -1.958 36.445 38.487 -0.140 0.000 1.089 172 N HN 0.705 nan 8.380 nan 0.000 0.604 173 S N -0.815 114.850 115.700 -0.059 0.000 2.392 173 S HA -0.120 4.349 4.470 -0.001 0.000 0.232 173 S C 1.808 176.453 174.600 0.075 0.000 1.041 173 S CA 1.583 59.792 58.200 0.014 0.000 1.026 173 S CB -0.708 62.499 63.200 0.011 0.000 0.845 173 S HN 0.596 nan 8.310 nan 0.000 0.465 174 G N 0.161 109.006 108.800 0.075 0.000 3.189 174 G HA2 0.512 4.471 3.960 -0.001 0.000 0.225 174 G HA3 0.512 4.471 3.960 -0.001 0.000 0.225 174 G C 0.849 175.903 174.900 0.257 0.000 1.159 174 G CA 0.127 45.348 45.100 0.202 0.000 0.763 174 G HN 1.208 nan 8.290 nan 0.000 0.549 175 G N -0.659 108.214 108.800 0.122 0.000 2.645 175 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.239 175 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.239 175 G C 0.613 175.601 174.900 0.147 0.000 1.331 175 G CA 0.109 45.242 45.100 0.056 0.000 0.890 175 G HN 0.273 nan 8.290 nan 0.000 0.572 176 W N 0.309 121.744 121.300 0.225 0.000 2.658 176 W HA 0.266 4.926 4.660 -0.000 0.000 0.263 176 W C 1.996 178.557 176.519 0.069 0.000 1.274 176 W CA 0.865 58.289 57.345 0.131 0.000 1.343 176 W CB 0.281 29.734 29.460 -0.012 0.000 1.106 176 W HN 0.664 nan 8.180 nan 0.000 0.615 177 D N -3.358 117.223 120.400 0.301 0.000 2.556 177 D HA -0.049 4.591 4.640 -0.001 0.000 0.237 177 D C 0.126 176.562 176.300 0.228 0.000 1.296 177 D CA -0.631 53.475 54.000 0.178 0.000 0.807 177 D CB -0.945 39.962 40.800 0.178 0.000 1.084 177 D HN 0.027 nan 8.370 nan 0.000 0.510 178 Y N 0.736 121.140 120.300 0.174 0.000 4.409 178 Y HA -0.244 4.305 4.550 -0.001 0.000 0.228 178 Y C 0.437 176.453 175.900 0.194 0.000 1.108 178 Y CA 0.067 58.256 58.100 0.148 0.000 1.955 178 Y CB -2.514 36.003 38.460 0.096 0.000 1.615 178 Y HN 0.263 nan 8.280 nan 0.000 0.665 179 K N 0.355 120.947 120.400 0.320 0.000 2.437 179 K HA 0.481 4.801 4.320 -0.001 0.000 0.205 179 K C 1.046 177.733 176.600 0.145 0.000 1.026 179 K CA 0.518 56.940 56.287 0.225 0.000 1.153 179 K CB 0.469 33.069 32.500 0.167 0.000 0.863 179 K HN 0.426 nan 8.250 nan 0.000 0.502 180 G N 1.077 110.006 108.800 0.215 0.000 2.697 180 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.686 180 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.686 180 G C -0.498 174.477 174.900 0.124 0.000 1.179 180 G CA -0.727 44.455 45.100 0.137 0.000 0.765 180 G HN 0.246 nan 8.290 nan 0.000 0.649 181 A N 0.724 123.612 122.820 0.114 0.000 2.483 181 A HA 0.519 4.838 4.320 -0.001 0.000 0.238 181 A C 1.302 178.960 177.584 0.123 0.000 1.070 181 A CA 1.223 53.316 52.037 0.093 0.000 0.770 181 A CB 0.071 19.121 19.000 0.083 0.000 1.008 181 A HN 0.904 nan 8.150 nan 0.000 0.497 182 D N -0.651 119.845 120.400 0.160 0.000 2.182 182 D HA 0.018 4.657 4.640 -0.001 0.000 0.201 182 D C 0.159 176.608 176.300 0.249 0.000 0.986 182 D CA 1.471 55.585 54.000 0.190 0.000 0.847 182 D CB -0.049 40.845 40.800 0.157 0.000 0.942 182 D HN 0.278 nan 8.370 nan 0.000 0.467 183 L N -0.449 120.938 121.223 0.273 0.000 2.439 183 L HA 0.631 4.971 4.340 -0.001 0.000 0.270 183 L C -1.695 175.213 176.870 0.064 0.000 0.972 183 L CA -0.968 53.973 54.840 0.169 0.000 0.836 183 L CB 1.656 43.840 42.059 0.209 0.000 1.255 183 L HN -0.132 nan 8.230 nan 0.000 0.404 184 A N 4.090 126.917 122.820 0.010 0.000 2.318 184 A HA 0.659 4.979 4.320 -0.001 0.000 0.317 184 A C -0.728 176.815 177.584 -0.069 0.000 1.159 184 A CA -0.446 51.591 52.037 0.001 0.000 0.799 184 A CB 0.944 19.983 19.000 0.065 0.000 1.194 184 A HN 0.770 nan 8.150 nan 0.000 0.479 185 C N 3.557 122.810 119.300 -0.079 0.000 2.125 185 C HA 0.409 4.868 4.460 -0.001 0.000 0.355 185 C C 0.490 175.433 174.990 -0.078 0.000 1.047 185 C CA -0.698 58.254 59.018 -0.111 0.000 1.501 185 C CB -1.235 26.430 27.740 -0.124 0.000 1.783 185 C HN 0.583 nan 8.230 nan 0.000 0.455 186 V N 4.106 123.956 119.914 -0.105 0.000 2.446 186 V HA 0.115 4.235 4.120 -0.001 0.000 0.276 186 V C 0.403 176.420 176.094 -0.128 0.000 1.030 186 V CA 0.145 62.364 62.300 -0.135 0.000 1.033 186 V CB 0.533 32.178 31.823 -0.296 0.000 0.993 186 V HN 0.588 nan 8.190 nan 0.000 0.477 187 V N 5.358 125.227 119.914 -0.075 0.000 2.385 187 V HA 0.314 4.433 4.120 -0.001 0.000 0.269 187 V C 0.217 176.269 176.094 -0.068 0.000 1.043 187 V CA -0.249 62.033 62.300 -0.030 0.000 0.906 187 V CB 0.714 32.587 31.823 0.084 0.000 0.995 187 V HN 1.034 nan 8.190 nan 0.000 0.467 188 C N 4.596 123.865 119.300 -0.051 0.000 2.667 188 C HA 0.670 5.129 4.460 -0.001 0.000 0.323 188 C C 0.281 175.283 174.990 0.020 0.000 1.214 188 C CA -1.149 57.843 59.018 -0.045 0.000 1.721 188 C CB 1.687 29.373 27.740 -0.090 0.000 2.275 188 C HN 0.921 nan 8.230 nan 0.000 0.491 189 R N 0.807 121.328 120.500 0.034 0.000 2.312 189 R HA 0.587 4.926 4.340 -0.001 0.000 0.311 189 R C -1.096 175.234 176.300 0.051 0.000 1.004 189 R CA -0.239 55.890 56.100 0.049 0.000 0.902 189 R CB 0.789 31.122 30.300 0.055 0.000 1.073 189 R HN 0.659 nan 8.270 nan 0.000 0.457 190 V N 3.447 123.397 119.914 0.061 0.000 2.508 190 V HA 0.182 4.301 4.120 -0.001 0.000 0.281 190 V C -0.016 176.133 176.094 0.091 0.000 1.041 190 V CA 0.389 62.755 62.300 0.111 0.000 1.016 190 V CB 1.209 33.116 31.823 0.140 0.000 0.984 190 V HN 0.750 nan 8.190 nan 0.000 0.478 191 S N 2.757 118.517 115.700 0.100 0.000 2.689 191 S HA 0.272 4.742 4.470 -0.001 0.000 0.274 191 S C 0.499 175.137 174.600 0.064 0.000 1.176 191 S CA -0.732 57.509 58.200 0.068 0.000 1.014 191 S CB 1.234 64.466 63.200 0.052 0.000 1.071 191 S HN 0.839 nan 8.310 nan 0.000 0.478 192 D N 1.943 122.370 120.400 0.045 0.000 2.117 192 D HA -0.087 4.552 4.640 -0.001 0.000 0.197 192 D C 0.281 176.594 176.300 0.021 0.000 0.987 192 D CA 1.223 55.237 54.000 0.023 0.000 0.829 192 D CB 0.114 40.919 40.800 0.008 0.000 0.961 192 D HN 0.516 nan 8.370 nan 0.000 0.460 193 D N 0.086 120.500 120.400 0.023 0.000 2.473 193 D HA 0.114 4.753 4.640 -0.001 0.000 0.226 193 D C -1.629 174.687 176.300 0.027 0.000 1.089 193 D CA -2.301 51.712 54.000 0.021 0.000 0.883 193 D CB 1.669 42.479 40.800 0.016 0.000 1.029 193 D HN -0.150 nan 8.370 nan 0.000 0.517 194 P HA -0.197 nan 4.420 nan 0.000 0.217 194 P C 1.220 178.538 177.300 0.029 0.000 1.148 194 P CA 0.970 64.091 63.100 0.035 0.000 0.828 194 P CB 0.092 31.815 31.700 0.039 0.000 0.783 195 S N -1.882 113.833 115.700 0.025 0.000 2.515 195 S HA -0.032 4.437 4.470 -0.001 0.000 0.231 195 S C 1.049 175.660 174.600 0.018 0.000 0.987 195 S CA 0.330 58.543 58.200 0.021 0.000 0.936 195 S CB -0.648 62.563 63.200 0.018 0.000 0.766 195 S HN 0.053 nan 8.310 nan 0.000 0.528 196 K N 3.199 123.610 120.400 0.019 0.000 2.234 196 K HA 0.329 4.648 4.320 -0.001 0.000 0.282 196 K C -2.571 174.039 176.600 0.017 0.000 1.039 196 K CA -2.066 54.231 56.287 0.016 0.000 0.928 196 K CB 0.743 33.252 32.500 0.015 0.000 1.039 196 K HN 0.262 nan 8.250 nan 0.000 0.470 197 P HA -0.056 nan 4.420 nan 0.000 0.268 197 P C -0.557 176.750 177.300 0.012 0.000 1.205 197 P CA -0.086 63.022 63.100 0.013 0.000 0.771 197 P CB 0.522 32.228 31.700 0.010 0.000 0.858 198 Q N 1.724 121.532 119.800 0.012 0.000 2.283 198 Q HA -0.082 4.258 4.340 -0.001 0.000 0.301 198 Q C 0.210 176.212 176.000 0.003 0.000 1.063 198 Q CA 0.143 55.952 55.803 0.009 0.000 0.952 198 Q CB 0.145 28.886 28.738 0.006 0.000 1.166 198 Q HN 0.372 nan 8.270 nan 0.000 0.381 199 D N 5.815 126.216 120.400 0.002 0.000 2.472 199 D HA -0.030 4.610 4.640 -0.001 0.000 0.248 199 D C -1.632 174.664 176.300 -0.006 0.000 1.174 199 D CA -1.371 52.628 54.000 -0.001 0.000 0.883 199 D CB 1.079 41.880 40.800 0.000 0.000 1.149 199 D HN 0.430 nan 8.370 nan 0.000 0.488 200 P HA -0.057 nan 4.420 nan 0.000 0.239 200 P C 0.526 177.818 177.300 -0.013 0.000 1.184 200 P CA 0.563 63.657 63.100 -0.010 0.000 0.760 200 P CB 0.451 32.147 31.700 -0.007 0.000 0.884 201 N N -0.694 117.999 118.700 -0.011 0.000 2.220 201 N HA 0.057 4.796 4.740 -0.001 0.000 0.195 201 N C -0.064 175.437 175.510 -0.015 0.000 1.123 201 N CA -0.007 53.036 53.050 -0.012 0.000 0.874 201 N CB 1.297 39.779 38.487 -0.008 0.000 0.995 201 N HN 0.017 nan 8.380 nan 0.000 0.498 202 V N 1.763 121.667 119.914 -0.017 0.000 2.465 202 V HA 0.126 4.245 4.120 -0.001 0.000 0.279 202 V C -0.307 175.767 176.094 -0.034 0.000 1.045 202 V CA -0.639 61.649 62.300 -0.020 0.000 0.938 202 V CB 1.493 33.307 31.823 -0.014 0.000 0.986 202 V HN 0.061 nan 8.190 nan 0.000 0.467 203 D N 8.002 128.378 120.400 -0.040 0.000 2.412 203 D HA 0.130 4.769 4.640 -0.001 0.000 0.257 203 D C -1.676 174.576 176.300 -0.079 0.000 1.217 203 D CA -1.360 52.605 54.000 -0.059 0.000 0.897 203 D CB 1.935 42.701 40.800 -0.057 0.000 1.132 203 D HN 0.382 nan 8.370 nan 0.000 0.493 204 P HA -0.138 nan 4.420 nan 0.000 0.217 204 P C 0.977 178.174 177.300 -0.171 0.000 1.148 204 P CA 1.412 64.434 63.100 -0.131 0.000 0.828 204 P CB 0.128 31.726 31.700 -0.169 0.000 0.783 205 A N -0.376 122.323 122.820 -0.200 0.000 2.076 205 A HA -0.191 4.128 4.320 -0.001 0.000 0.220 205 A C 2.162 179.678 177.584 -0.113 0.000 1.160 205 A CA 2.218 54.133 52.037 -0.202 0.000 0.653 205 A CB -1.881 17.011 19.000 -0.179 0.000 0.801 205 A HN 0.366 nan 8.150 nan 0.000 0.455 206 T N -3.531 110.976 114.554 -0.079 0.000 3.118 206 T HA -0.009 4.341 4.350 -0.001 0.000 0.260 206 T C 1.173 175.858 174.700 -0.025 0.000 1.139 206 T CA 1.076 63.150 62.100 -0.043 0.000 1.085 206 T CB -0.085 68.766 68.868 -0.029 0.000 0.934 206 T HN 0.384 nan 8.240 nan 0.000 0.518 207 Q N 0.471 120.251 119.800 -0.034 0.000 2.198 207 Q HA 0.354 4.693 4.340 -0.001 0.000 0.209 207 Q C -0.149 175.852 176.000 0.001 0.000 0.848 207 Q CA -0.176 55.624 55.803 -0.004 0.000 0.974 207 Q CB 0.457 29.195 28.738 0.001 0.000 1.115 207 Q HN 0.496 nan 8.270 nan 0.000 0.494 208 I N 1.343 121.907 120.570 -0.010 0.000 2.395 208 I HA 0.433 4.602 4.170 -0.001 0.000 0.289 208 I C 0.186 176.297 176.117 -0.010 0.000 1.023 208 I CA -0.747 60.569 61.300 0.028 0.000 1.350 208 I CB 0.709 38.752 38.000 0.072 0.000 1.409 208 I HN -0.118 nan 8.210 nan 0.000 0.507 209 A N 6.575 129.370 122.820 -0.043 0.000 2.435 209 A HA 0.795 5.114 4.320 -0.001 0.000 0.304 209 A C -1.001 176.496 177.584 -0.145 0.000 1.064 209 A CA -0.523 51.421 52.037 -0.156 0.000 0.727 209 A CB 1.754 20.563 19.000 -0.318 0.000 1.284 209 A HN 0.373 nan 8.150 nan 0.000 0.415 210 V N 2.775 122.581 119.914 -0.179 0.000 2.378 210 V HA 0.436 4.555 4.120 -0.001 0.000 0.288 210 V C -0.519 175.434 176.094 -0.236 0.000 1.016 210 V CA -0.180 62.024 62.300 -0.159 0.000 0.840 210 V CB 1.027 32.788 31.823 -0.104 0.000 0.994 210 V HN 0.741 nan 8.190 nan 0.000 0.431 211 L N 5.337 126.419 121.223 -0.234 0.000 2.329 211 L HA 0.534 4.873 4.340 -0.001 0.000 0.279 211 L C -0.818 175.931 176.870 -0.202 0.000 1.014 211 L CA -0.768 53.927 54.840 -0.243 0.000 0.814 211 L CB 1.788 43.709 42.059 -0.229 0.000 1.257 211 L HN 0.352 nan 8.230 nan 0.000 0.424 212 L N 4.389 125.471 121.223 -0.235 0.000 2.265 212 L HA 0.402 4.742 4.340 -0.001 0.000 0.288 212 L C -0.214 176.548 176.870 -0.179 0.000 1.058 212 L CA -0.085 54.570 54.840 -0.309 0.000 0.809 212 L CB 1.342 43.015 42.059 -0.643 0.000 1.179 212 L HN 0.203 nan 8.230 nan 0.000 0.429 213 V N 3.079 122.940 119.914 -0.089 0.000 2.409 213 V HA 0.595 4.714 4.120 -0.001 0.000 0.291 213 V C 0.461 176.588 176.094 0.055 0.000 1.020 213 V CA -0.639 61.693 62.300 0.053 0.000 0.848 213 V CB 1.726 33.628 31.823 0.131 0.000 0.990 213 V HN 0.906 nan 8.190 nan 0.000 0.430 214 T N 2.075 116.693 114.554 0.106 0.000 2.893 214 T HA 0.446 4.796 4.350 -0.001 0.000 0.279 214 T C 1.012 175.775 174.700 0.104 0.000 0.991 214 T CA -0.598 61.584 62.100 0.136 0.000 0.950 214 T CB 1.389 70.387 68.868 0.216 0.000 1.223 214 T HN 0.419 nan 8.240 nan 0.000 0.585 215 R N -0.180 120.381 120.500 0.102 0.000 2.148 215 R HA 0.046 4.386 4.340 -0.001 0.000 0.223 215 R C 2.483 178.825 176.300 0.070 0.000 1.088 215 R CA 0.991 57.133 56.100 0.070 0.000 0.985 215 R CB -0.146 30.205 30.300 0.085 0.000 0.880 215 R HN 0.755 nan 8.270 nan 0.000 0.451 216 E N -0.025 120.230 120.200 0.091 0.000 2.072 216 E HA -0.131 4.218 4.350 -0.001 0.000 0.191 216 E C 1.312 177.959 176.600 0.078 0.000 0.985 216 E CA 1.478 57.927 56.400 0.081 0.000 0.801 216 E CB 0.204 29.959 29.700 0.091 0.000 0.750 216 E HN 0.252 nan 8.360 nan 0.000 0.452 217 T N 1.194 115.812 114.554 0.106 0.000 2.759 217 T HA -0.162 4.187 4.350 -0.001 0.000 0.269 217 T C 1.875 176.628 174.700 0.089 0.000 1.042 217 T CA 1.142 63.301 62.100 0.100 0.000 1.140 217 T CB -0.125 68.849 68.868 0.177 0.000 0.864 217 T HN 0.164 nan 8.240 nan 0.000 0.455 218 I N 1.005 121.656 120.570 0.134 0.000 2.333 218 I HA -0.038 4.132 4.170 -0.001 0.000 0.246 218 I C 2.893 179.060 176.117 0.084 0.000 1.106 218 I CA 0.794 62.174 61.300 0.134 0.000 1.411 218 I CB -0.418 37.506 38.000 -0.127 0.000 1.082 218 I HN 0.169 nan 8.210 nan 0.000 0.420 219 A N 1.010 123.864 122.820 0.057 0.000 1.940 219 A HA -0.207 4.113 4.320 -0.001 0.000 0.219 219 A C 1.730 179.336 177.584 0.036 0.000 1.176 219 A CA 1.881 53.950 52.037 0.053 0.000 0.631 219 A CB -0.653 18.376 19.000 0.049 0.000 0.814 219 A HN 0.433 nan 8.150 nan 0.000 0.446 220 N N 0.654 119.364 118.700 0.017 0.000 2.434 220 N HA 0.041 4.780 4.740 -0.001 0.000 0.196 220 N C -0.269 175.213 175.510 -0.046 0.000 1.183 220 N CA 0.185 53.229 53.050 -0.011 0.000 0.849 220 N CB -0.200 38.279 38.487 -0.014 0.000 0.992 220 N HN 0.472 nan 8.380 nan 0.000 0.460 221 N N 0.402 119.083 118.700 -0.031 0.000 2.402 221 N HA 0.232 4.972 4.740 -0.001 0.000 0.294 221 N C -0.180 175.365 175.510 0.058 0.000 1.203 221 N CA -0.494 52.535 53.050 -0.035 0.000 0.838 221 N CB 1.928 40.326 38.487 -0.148 0.000 1.306 221 N HN -0.143 nan 8.380 nan 0.000 0.510 222 K N 0.929 121.379 120.400 0.082 0.000 2.336 222 K HA 0.016 4.335 4.320 -0.001 0.000 0.262 222 K C 1.358 178.043 176.600 0.141 0.000 0.992 222 K CA -0.009 56.337 56.287 0.098 0.000 0.927 222 K CB 0.849 33.407 32.500 0.096 0.000 0.956 222 K HN 0.338 nan 8.250 nan 0.000 0.495 223 K N 1.516 121.984 120.400 0.114 0.000 2.063 223 K HA -0.173 4.146 4.320 -0.001 0.000 0.208 223 K C 0.622 177.305 176.600 0.138 0.000 1.048 223 K CA 2.142 58.502 56.287 0.122 0.000 0.928 223 K CB -0.038 32.513 32.500 0.086 0.000 0.713 223 K HN 0.703 nan 8.250 nan 0.000 0.442 224 D N -1.225 119.245 120.400 0.117 0.000 2.358 224 D HA 0.071 4.710 4.640 -0.001 0.000 0.224 224 D C 0.969 177.350 176.300 0.135 0.000 1.123 224 D CA 0.113 54.171 54.000 0.096 0.000 0.833 224 D CB 0.410 41.242 40.800 0.054 0.000 0.946 224 D HN 0.046 nan 8.370 nan 0.000 0.505 225 A N -0.318 122.642 122.820 0.233 0.000 2.067 225 A HA 0.028 4.347 4.320 -0.001 0.000 0.217 225 A C 0.170 177.990 177.584 0.393 0.000 1.156 225 A CA 0.386 52.636 52.037 0.355 0.000 0.683 225 A CB -0.425 18.857 19.000 0.469 0.000 0.808 225 A HN 0.381 nan 8.150 nan 0.000 0.455 226 Y N 0.700 121.071 120.300 0.117 0.000 2.488 226 Y HA 0.478 5.028 4.550 -0.001 0.000 0.330 226 Y C -0.758 175.044 175.900 -0.163 0.000 1.013 226 Y CA -0.725 57.296 58.100 -0.132 0.000 1.304 226 Y CB 0.672 39.103 38.460 -0.048 0.000 1.098 226 Y HN 0.257 nan 8.280 nan 0.000 0.498 227 Q N 6.167 125.687 119.800 -0.467 0.000 2.330 227 Q HA 0.487 4.826 4.340 -0.001 0.000 0.269 227 Q C -0.940 174.710 176.000 -0.583 0.000 1.022 227 Q CA -1.075 54.489 55.803 -0.397 0.000 0.796 227 Q CB 2.484 31.078 28.738 -0.241 0.000 1.271 227 Q HN 0.538 nan 8.270 nan 0.000 0.450 228 I N 4.247 124.491 120.570 -0.544 0.000 2.347 228 I HA 0.005 4.175 4.170 -0.001 0.000 0.294 228 I C 1.018 176.872 176.117 -0.438 0.000 1.090 228 I CA 0.346 61.280 61.300 -0.610 0.000 1.314 228 I CB 0.084 37.532 38.000 -0.919 0.000 1.423 228 I HN 0.732 nan 8.210 nan 0.000 0.503 229 L N 5.387 126.352 121.223 -0.431 0.000 2.395 229 L HA 0.222 4.562 4.340 -0.001 0.000 0.218 229 L C 1.036 177.714 176.870 -0.319 0.000 1.130 229 L CA 0.239 54.821 54.840 -0.430 0.000 0.826 229 L CB -0.192 41.418 42.059 -0.749 0.000 0.941 229 L HN 0.859 nan 8.230 nan 0.000 0.451 230 G N -0.080 108.571 108.800 -0.249 0.000 2.358 230 G HA2 0.187 4.146 3.960 -0.001 0.000 0.303 230 G HA3 0.187 4.146 3.960 -0.001 0.000 0.303 230 G C -1.845 172.996 174.900 -0.097 0.000 1.537 230 G CA -0.748 44.272 45.100 -0.134 0.000 0.928 230 G HN -0.127 nan 8.290 nan 0.000 0.656 231 E N 1.126 121.311 120.200 -0.026 0.000 2.102 231 E HA 0.638 4.988 4.350 -0.001 0.000 0.263 231 E C -2.193 174.384 176.600 -0.040 0.000 0.894 231 E CA -1.826 54.569 56.400 -0.008 0.000 0.746 231 E CB 1.239 31.003 29.700 0.106 0.000 1.129 231 E HN 0.291 nan 8.360 nan 0.000 0.416 232 P HA -0.001 nan 4.420 nan 0.000 0.262 232 P C -0.826 176.473 177.300 -0.002 0.000 1.182 232 P CA 0.176 63.218 63.100 -0.098 0.000 0.761 232 P CB 0.512 32.073 31.700 -0.231 0.000 0.795 233 E N 3.268 123.479 120.200 0.018 0.000 2.105 233 E HA 0.191 4.541 4.350 -0.001 0.000 0.285 233 E C 0.044 176.681 176.600 0.062 0.000 1.055 233 E CA -0.124 56.299 56.400 0.039 0.000 0.843 233 E CB 0.467 30.185 29.700 0.030 0.000 1.067 233 E HN 0.401 nan 8.360 nan 0.000 0.398 234 L N 1.159 122.425 121.223 0.072 0.000 2.375 234 L HA 0.341 4.680 4.340 -0.001 0.000 0.268 234 L C 1.564 178.459 176.870 0.043 0.000 1.058 234 L CA -0.543 54.350 54.840 0.089 0.000 0.803 234 L CB 1.101 43.228 42.059 0.114 0.000 1.212 234 L HN 0.503 nan 8.230 nan 0.000 0.451 235 A N 1.788 124.624 122.820 0.028 0.000 1.873 235 A HA 0.164 4.484 4.320 -0.001 0.000 0.215 235 A C 0.948 178.501 177.584 -0.050 0.000 1.186 235 A CA 1.529 53.559 52.037 -0.011 0.000 0.616 235 A CB -0.485 18.502 19.000 -0.022 0.000 0.823 235 A HN 0.818 nan 8.150 nan 0.000 0.442 236 G N -4.385 104.370 108.800 -0.075 0.000 2.733 236 G HA2 0.484 4.443 3.960 -0.001 0.000 0.288 236 G HA3 0.484 4.443 3.960 -0.001 0.000 0.288 236 G C -0.593 174.234 174.900 -0.121 0.000 1.373 236 G CA -0.131 44.861 45.100 -0.180 0.000 0.895 236 G HN 0.477 nan 8.290 nan 0.000 0.479 237 H N -0.748 118.268 119.070 -0.089 0.000 2.677 237 H HA -0.168 4.387 4.556 -0.001 0.000 0.321 237 H C 1.501 176.790 175.328 -0.065 0.000 1.171 237 H CA 1.023 57.027 56.048 -0.073 0.000 1.139 237 H CB -1.452 28.276 29.762 -0.055 0.000 1.515 237 H HN 0.715 nan 8.280 nan 0.000 0.423 238 I N -1.981 118.567 120.570 -0.036 0.000 3.334 238 I HA -0.060 4.109 4.170 -0.001 0.000 0.282 238 I C 1.862 177.958 176.117 -0.035 0.000 1.313 238 I CA 1.433 62.719 61.300 -0.023 0.000 1.396 238 I CB 0.014 38.000 38.000 -0.022 0.000 1.054 238 I HN 0.261 nan 8.210 nan 0.000 0.495 239 T N -2.957 111.547 114.554 -0.084 0.000 3.069 239 T HA 0.115 4.464 4.350 -0.001 0.000 0.252 239 T C 0.873 175.666 174.700 0.155 0.000 1.053 239 T CA 0.028 62.105 62.100 -0.039 0.000 0.964 239 T CB -0.282 68.416 68.868 -0.283 0.000 1.005 239 T HN 0.310 nan 8.240 nan 0.000 0.532 240 T N 1.636 116.234 114.554 0.074 0.000 2.899 240 T HA 0.511 4.860 4.350 -0.001 0.000 0.284 240 T C -0.406 174.143 174.700 -0.250 0.000 1.004 240 T CA -0.388 61.694 62.100 -0.031 0.000 1.043 240 T CB 1.181 70.049 68.868 -0.000 0.000 1.013 240 T HN 0.298 nan 8.240 nan 0.000 0.518 241 S N 1.016 116.295 115.700 -0.702 0.000 2.454 241 S HA 0.695 5.164 4.470 -0.001 0.000 0.306 241 S C 0.003 174.404 174.600 -0.332 0.000 1.100 241 S CA -0.326 57.506 58.200 -0.614 0.000 1.087 241 S CB 0.872 63.361 63.200 -1.186 0.000 1.019 241 S HN 1.004 nan 8.310 nan 0.000 0.480 242 G N 4.984 113.699 108.800 -0.141 0.000 4.341 242 G HA2 0.406 4.366 3.960 -0.001 0.000 0.251 242 G HA3 0.406 4.366 3.960 -0.001 0.000 0.251 242 G C -3.247 171.597 174.900 -0.093 0.000 1.036 242 G CA -0.886 44.183 45.100 -0.053 0.000 0.708 242 G HN 0.538 nan 8.290 nan 0.000 0.510 243 P HA 0.015 nan 4.420 nan 0.000 0.269 243 P C -0.222 176.937 177.300 -0.234 0.000 1.217 243 P CA 0.141 63.125 63.100 -0.194 0.000 0.783 243 P CB 0.487 32.018 31.700 -0.282 0.000 0.898 244 H N 0.245 119.103 119.070 -0.354 0.000 2.668 244 H HA 0.349 4.904 4.556 -0.001 0.000 0.303 244 H C -0.638 174.443 175.328 -0.411 0.000 1.074 244 H CA -0.180 55.653 56.048 -0.357 0.000 1.406 244 H CB 0.266 29.835 29.762 -0.322 0.000 1.442 244 H HN 0.215 nan 8.280 nan 0.000 0.482 245 T N 6.176 120.652 114.554 -0.130 0.000 2.881 245 T HA 0.256 4.605 4.350 -0.001 0.000 0.290 245 T C -0.666 173.779 174.700 -0.424 0.000 1.000 245 T CA -0.792 61.034 62.100 -0.458 0.000 0.978 245 T CB 1.261 69.740 68.868 -0.649 0.000 0.997 245 T HN 0.595 nan 8.240 nan 0.000 0.443 246 R N 2.653 122.819 120.500 -0.556 0.000 2.343 246 R HA 0.510 4.850 4.340 -0.001 0.000 0.320 246 R C -1.419 174.571 176.300 -0.517 0.000 0.956 246 R CA -0.634 55.237 56.100 -0.382 0.000 0.836 246 R CB 0.496 30.663 30.300 -0.222 0.000 1.151 246 R HN 0.462 nan 8.270 nan 0.000 0.450 247 F N 2.614 122.498 119.950 -0.111 0.000 2.391 247 F HA 0.292 4.818 4.527 -0.001 0.000 0.359 247 F C 0.188 176.016 175.800 0.046 0.000 1.122 247 F CA -0.314 57.661 58.000 -0.041 0.000 1.120 247 F CB 2.104 41.071 39.000 -0.054 0.000 1.142 247 F HN 0.293 nan 8.300 nan 0.000 0.483 248 T N 3.496 118.198 114.554 0.246 0.000 2.864 248 T HA 0.245 4.594 4.350 -0.001 0.000 0.310 248 T C -0.391 174.443 174.700 0.223 0.000 1.040 248 T CA -0.779 61.432 62.100 0.186 0.000 0.977 248 T CB 0.899 69.831 68.868 0.107 0.000 0.976 248 T HN 0.507 nan 8.240 nan 0.000 0.459 249 E N 0.998 121.304 120.200 0.175 0.000 2.320 249 E HA -0.198 4.151 4.350 -0.001 0.000 0.234 249 E C -0.627 176.030 176.600 0.095 0.000 1.183 249 E CA 0.325 56.782 56.400 0.096 0.000 0.713 249 E CB -1.356 28.403 29.700 0.099 0.000 1.226 249 E HN 0.758 nan 8.360 nan 0.000 0.382 250 F N 1.760 121.732 119.950 0.037 0.000 2.421 250 F HA 0.140 4.667 4.527 -0.001 0.000 0.358 250 F C 1.036 176.837 175.800 0.001 0.000 1.115 250 F CA -0.379 57.693 58.000 0.120 0.000 1.160 250 F CB 0.494 39.677 39.000 0.306 0.000 1.123 250 F HN -0.022 nan 8.300 nan 0.000 0.508 251 H N 5.866 124.702 119.070 -0.389 0.000 2.604 251 H HA 0.415 4.970 4.556 -0.001 0.000 0.306 251 H C -0.705 174.475 175.328 -0.245 0.000 1.075 251 H CA -0.307 55.614 56.048 -0.213 0.000 1.357 251 H CB 1.475 31.141 29.762 -0.159 0.000 1.426 251 H HN 0.328 nan 8.280 nan 0.000 0.470 252 V N 6.591 126.559 119.914 0.089 0.000 2.531 252 V HA 0.196 4.315 4.120 -0.001 0.000 0.301 252 V C -2.185 174.042 176.094 0.222 0.000 1.034 252 V CA -2.059 60.323 62.300 0.136 0.000 0.865 252 V CB 2.084 34.011 31.823 0.174 0.000 0.995 252 V HN 0.631 nan 8.190 nan 0.000 0.424 253 P HA 0.017 nan 4.420 nan 0.000 0.264 253 P C 0.596 178.077 177.300 0.301 0.000 1.183 253 P CA 0.331 63.558 63.100 0.210 0.000 0.763 253 P CB 0.411 32.207 31.700 0.160 0.000 0.807 254 H N 3.921 123.155 119.070 0.273 0.000 2.387 254 H HA -0.204 4.351 4.556 -0.001 0.000 0.299 254 H C 1.524 176.994 175.328 0.237 0.000 1.099 254 H CA 2.330 58.603 56.048 0.375 0.000 1.315 254 H CB -0.003 29.922 29.762 0.272 0.000 1.380 254 H HN 0.552 nan 8.280 nan 0.000 0.513 255 E N -0.544 119.726 120.200 0.116 0.000 2.333 255 E HA -0.161 4.188 4.350 -0.001 0.000 0.198 255 E C 1.326 177.958 176.600 0.053 0.000 1.007 255 E CA 1.177 57.604 56.400 0.044 0.000 0.845 255 E CB -0.277 29.492 29.700 0.115 0.000 0.766 255 E HN 0.626 nan 8.360 nan 0.000 0.507 256 N N 0.480 119.221 118.700 0.067 0.000 2.461 256 N HA 0.038 4.777 4.740 -0.001 0.000 0.188 256 N C -0.266 175.167 175.510 -0.129 0.000 1.134 256 N CA -0.337 52.726 53.050 0.022 0.000 0.878 256 N CB 0.169 38.679 38.487 0.040 0.000 0.972 256 N HN 0.125 nan 8.380 nan 0.000 0.456 257 L N 1.906 123.013 121.223 -0.193 0.000 2.418 257 L HA 0.029 4.368 4.340 -0.001 0.000 0.274 257 L C 1.089 177.828 176.870 -0.220 0.000 1.135 257 L CA 0.144 54.797 54.840 -0.312 0.000 0.870 257 L CB 0.784 42.579 42.059 -0.440 0.000 1.154 257 L HN -0.010 nan 8.230 nan 0.000 0.462 258 L N 6.228 127.326 121.223 -0.209 0.000 2.056 258 L HA 0.023 4.362 4.340 -0.001 0.000 0.207 258 L C 0.763 177.568 176.870 -0.109 0.000 1.078 258 L CA 1.625 56.378 54.840 -0.145 0.000 0.749 258 L CB -0.122 41.848 42.059 -0.148 0.000 0.901 258 L HN 0.931 nan 8.230 nan 0.000 0.433 259 C N -5.184 114.043 119.300 -0.123 0.000 3.272 259 C HA 0.506 4.965 4.460 -0.001 0.000 0.363 259 C C 0.122 175.066 174.990 -0.076 0.000 1.514 259 C CA -0.594 58.375 59.018 -0.082 0.000 1.185 259 C CB 0.580 28.280 27.740 -0.066 0.000 1.716 259 C HN 0.187 nan 8.230 nan 0.000 0.440 260 T N 3.113 117.646 114.554 -0.034 0.000 2.853 260 T HA 0.387 4.737 4.350 -0.001 0.000 0.298 260 T C -2.401 172.284 174.700 -0.025 0.000 0.978 260 T CA 0.279 62.377 62.100 -0.003 0.000 1.152 260 T CB -0.147 68.733 68.868 0.020 0.000 0.914 260 T HN 0.698 nan 8.240 nan 0.000 0.539 261 P HA 0.254 nan 4.420 nan 0.000 0.268 261 P C 0.871 178.167 177.300 -0.008 0.000 1.189 261 P CA 1.143 64.225 63.100 -0.030 0.000 0.771 261 P CB 0.153 31.860 31.700 0.011 0.000 0.822 262 G N 0.282 109.073 108.800 -0.016 0.000 2.416 262 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.203 262 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.203 262 G C 0.581 175.463 174.900 -0.029 0.000 1.227 262 G CA -0.244 44.845 45.100 -0.019 0.000 1.041 262 G HN 0.429 nan 8.290 nan 0.000 0.546 263 L N -0.105 121.099 121.223 -0.033 0.000 2.137 263 L HA -0.133 4.207 4.340 -0.001 0.000 0.213 263 L C 2.924 179.770 176.870 -0.040 0.000 1.085 263 L CA 2.243 57.060 54.840 -0.039 0.000 0.760 263 L CB -0.414 41.624 42.059 -0.035 0.000 0.893 263 L HN 0.517 nan 8.230 nan 0.000 0.434 264 K N -0.074 120.304 120.400 -0.037 0.000 2.025 264 K HA -0.076 4.243 4.320 -0.001 0.000 0.207 264 K C 2.173 178.745 176.600 -0.046 0.000 1.049 264 K CA 1.456 57.715 56.287 -0.047 0.000 0.933 264 K CB -0.500 31.977 32.500 -0.040 0.000 0.714 264 K HN 0.263 nan 8.250 nan 0.000 0.438 265 A N 0.646 123.446 122.820 -0.032 0.000 1.858 265 A HA -0.224 4.095 4.320 -0.001 0.000 0.216 265 A C 2.181 179.785 177.584 0.033 0.000 1.190 265 A CA 1.640 53.667 52.037 -0.017 0.000 0.617 265 A CB -0.720 18.266 19.000 -0.023 0.000 0.827 265 A HN 0.355 nan 8.150 nan 0.000 0.443 266 Q N -0.074 119.753 119.800 0.044 0.000 2.096 266 Q HA -0.207 4.132 4.340 -0.001 0.000 0.208 266 Q C 2.120 178.169 176.000 0.082 0.000 0.993 266 Q CA 2.363 58.226 55.803 0.099 0.000 0.862 266 Q CB -0.936 27.794 28.738 -0.013 0.000 0.915 266 Q HN 0.586 nan 8.270 nan 0.000 0.416 267 G N 1.148 109.943 108.800 -0.008 0.000 2.476 267 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.218 267 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.218 267 G C 1.653 176.488 174.900 -0.109 0.000 1.164 267 G CA 0.973 46.022 45.100 -0.085 0.000 0.768 267 G HN 0.374 nan 8.290 nan 0.000 0.560 268 L N 0.132 121.310 121.223 -0.076 0.000 2.042 268 L HA -0.132 4.207 4.340 -0.001 0.000 0.210 268 L C 3.046 179.898 176.870 -0.030 0.000 1.076 268 L CA 0.747 55.539 54.840 -0.081 0.000 0.749 268 L CB -0.521 41.496 42.059 -0.070 0.000 0.893 268 L HN 0.133 nan 8.230 nan 0.000 0.432 269 V N -0.349 119.605 119.914 0.066 0.000 2.270 269 V HA -0.295 3.824 4.120 -0.001 0.000 0.245 269 V C 2.437 178.675 176.094 0.240 0.000 1.043 269 V CA 1.992 64.388 62.300 0.160 0.000 1.014 269 V CB -0.561 31.442 31.823 0.300 0.000 0.645 269 V HN 0.495 nan 8.190 nan 0.000 0.447 270 E N 0.004 120.346 120.200 0.235 0.000 2.118 270 E HA -0.236 4.113 4.350 -0.001 0.000 0.195 270 E C 2.181 178.959 176.600 0.297 0.000 0.992 270 E CA 1.952 58.522 56.400 0.284 0.000 0.804 270 E CB -0.050 29.808 29.700 0.263 0.000 0.741 270 E HN 0.666 nan 8.360 nan 0.000 0.458 271 T N 0.385 114.993 114.554 0.090 0.000 2.770 271 T HA -0.028 4.321 4.350 -0.001 0.000 0.258 271 T C 1.885 176.632 174.700 0.078 0.000 1.039 271 T CA 1.086 63.195 62.100 0.015 0.000 1.143 271 T CB -0.339 68.324 68.868 -0.342 0.000 0.866 271 T HN 0.322 nan 8.240 nan 0.000 0.428 272 A N 1.238 124.032 122.820 -0.043 0.000 1.884 272 A HA -0.138 4.181 4.320 -0.001 0.000 0.219 272 A C 2.024 179.508 177.584 -0.167 0.000 1.197 272 A CA 1.792 53.730 52.037 -0.165 0.000 0.637 272 A CB -1.286 17.519 19.000 -0.325 0.000 0.827 272 A HN 0.514 nan 8.150 nan 0.000 0.450 273 F N -0.292 119.634 119.950 -0.040 0.000 2.293 273 F HA -0.040 4.486 4.527 -0.001 0.000 0.300 273 F C 2.685 178.471 175.800 -0.023 0.000 1.086 273 F CA 0.779 58.734 58.000 -0.075 0.000 1.375 273 F CB -0.041 38.880 39.000 -0.132 0.000 1.045 273 F HN 0.290 nan 8.300 nan 0.000 0.516 274 A N -0.503 122.467 122.820 0.250 0.000 1.970 274 A HA -0.118 4.201 4.320 -0.001 0.000 0.216 274 A C 2.162 179.817 177.584 0.119 0.000 1.170 274 A CA 1.042 53.191 52.037 0.186 0.000 0.645 274 A CB -0.498 18.672 19.000 0.283 0.000 0.816 274 A HN 0.324 nan 8.150 nan 0.000 0.447 275 M N 0.209 119.885 119.600 0.125 0.000 2.098 275 M HA -0.141 4.338 4.480 -0.001 0.000 0.262 275 M C 2.597 178.903 176.300 0.010 0.000 1.072 275 M CA 1.806 57.146 55.300 0.067 0.000 1.133 275 M CB -0.267 32.366 32.600 0.055 0.000 1.344 275 M HN 0.621 nan 8.290 nan 0.000 0.414 276 S N 0.772 116.452 115.700 -0.033 0.000 2.387 276 S HA -0.170 4.299 4.470 -0.001 0.000 0.230 276 S C 2.039 176.606 174.600 -0.054 0.000 1.035 276 S CA 1.246 59.405 58.200 -0.067 0.000 1.014 276 S CB -0.863 62.258 63.200 -0.133 0.000 0.836 276 S HN 0.475 nan 8.310 nan 0.000 0.466 277 A N 2.312 125.120 122.820 -0.020 0.000 1.908 277 A HA 0.160 4.479 4.320 -0.001 0.000 0.218 277 A C 2.581 180.152 177.584 -0.022 0.000 1.181 277 A CA 2.085 54.105 52.037 -0.028 0.000 0.627 277 A CB -1.554 17.445 19.000 -0.003 0.000 0.818 277 A HN 0.940 nan 8.150 nan 0.000 0.445 278 A N -0.361 122.456 122.820 -0.004 0.000 1.877 278 A HA -0.022 4.297 4.320 -0.001 0.000 0.216 278 A C 2.199 179.788 177.584 0.009 0.000 1.186 278 A CA 1.504 53.548 52.037 0.011 0.000 0.620 278 A CB -0.584 18.431 19.000 0.025 0.000 0.822 278 A HN 0.476 nan 8.150 nan 0.000 0.443 279 L N -0.828 120.392 121.223 -0.006 0.000 2.027 279 L HA -0.142 4.197 4.340 -0.001 0.000 0.206 279 L C 2.468 179.297 176.870 -0.068 0.000 1.074 279 L CA 0.974 55.806 54.840 -0.013 0.000 0.745 279 L CB -0.741 41.311 42.059 -0.012 0.000 0.898 279 L HN 0.218 nan 8.230 nan 0.000 0.433 280 V N 0.885 120.738 119.914 -0.101 0.000 2.357 280 V HA -0.370 3.749 4.120 -0.001 0.000 0.257 280 V C 2.561 178.525 176.094 -0.216 0.000 1.082 280 V CA 2.212 64.418 62.300 -0.156 0.000 1.078 280 V CB -1.212 30.540 31.823 -0.118 0.000 0.663 280 V HN 0.660 nan 8.190 nan 0.000 0.455 281 G N -1.155 107.572 108.800 -0.121 0.000 2.442 281 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.219 281 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.219 281 G C 1.746 176.567 174.900 -0.132 0.000 1.141 281 G CA 1.082 46.119 45.100 -0.105 0.000 0.763 281 G HN 0.689 nan 8.290 nan 0.000 0.554 282 A N 0.679 123.438 122.820 -0.101 0.000 1.902 282 A HA -0.012 4.307 4.320 -0.001 0.000 0.217 282 A C 2.469 179.937 177.584 -0.194 0.000 1.181 282 A CA 1.900 53.897 52.037 -0.068 0.000 0.623 282 A CB -0.383 18.628 19.000 0.018 0.000 0.818 282 A HN 0.392 nan 8.150 nan 0.000 0.443 283 M N -0.429 118.904 119.600 -0.445 0.000 2.080 283 M HA -0.194 4.285 4.480 -0.001 0.000 0.260 283 M C 2.520 178.421 176.300 -0.665 0.000 1.068 283 M CA 1.690 56.467 55.300 -0.872 0.000 1.109 283 M CB -0.450 31.357 32.600 -1.321 0.000 1.342 283 M HN 0.473 nan 8.290 nan 0.000 0.405 284 A N 0.410 122.812 122.820 -0.696 0.000 1.902 284 A HA -0.122 4.198 4.320 -0.001 0.000 0.217 284 A C 2.081 179.610 177.584 -0.093 0.000 1.181 284 A CA 1.462 53.239 52.037 -0.433 0.000 0.623 284 A CB -0.915 17.916 19.000 -0.282 0.000 0.818 284 A HN 0.460 nan 8.150 nan 0.000 0.443 285 I N -0.186 120.328 120.570 -0.093 0.000 2.163 285 I HA -0.230 3.939 4.170 -0.001 0.000 0.243 285 I C 2.733 178.877 176.117 0.045 0.000 1.085 285 I CA 1.205 62.492 61.300 -0.021 0.000 1.347 285 I CB -0.691 37.291 38.000 -0.031 0.000 1.044 285 I HN 0.388 nan 8.210 nan 0.000 0.408 286 G N 0.177 109.019 108.800 0.071 0.000 2.491 286 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.218 286 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.218 286 G C 1.642 176.654 174.900 0.187 0.000 1.180 286 G CA 1.611 46.810 45.100 0.165 0.000 0.774 286 G HN 0.295 nan 8.290 nan 0.000 0.562 287 T N 1.715 116.409 114.554 0.234 0.000 2.607 287 T HA -0.087 4.262 4.350 -0.001 0.000 0.267 287 T C 2.808 177.609 174.700 0.168 0.000 1.049 287 T CA 2.024 64.271 62.100 0.246 0.000 1.162 287 T CB -0.547 68.563 68.868 0.404 0.000 0.863 287 T HN 0.400 nan 8.240 nan 0.000 0.424 288 A N 1.209 124.122 122.820 0.154 0.000 1.933 288 A HA -0.086 4.234 4.320 -0.001 0.000 0.218 288 A C 2.295 179.974 177.584 0.158 0.000 1.175 288 A CA 1.758 53.875 52.037 0.134 0.000 0.628 288 A CB -0.581 18.468 19.000 0.081 0.000 0.814 288 A HN 0.421 nan 8.150 nan 0.000 0.444 289 R N -0.414 120.170 120.500 0.141 0.000 2.081 289 R HA -0.107 4.232 4.340 -0.001 0.000 0.235 289 R C 2.347 178.763 176.300 0.193 0.000 1.131 289 R CA 1.384 57.596 56.100 0.186 0.000 0.960 289 R CB -0.411 29.971 30.300 0.138 0.000 0.856 289 R HN 0.448 nan 8.270 nan 0.000 0.436 290 A N 0.805 123.698 122.820 0.121 0.000 1.883 290 A HA -0.188 4.132 4.320 -0.001 0.000 0.217 290 A C 2.361 179.943 177.584 -0.003 0.000 1.186 290 A CA 1.942 54.005 52.037 0.044 0.000 0.624 290 A CB -0.904 18.106 19.000 0.016 0.000 0.822 290 A HN 0.550 nan 8.150 nan 0.000 0.444 291 A N -1.091 121.765 122.820 0.059 0.000 1.865 291 A HA -0.066 4.253 4.320 -0.001 0.000 0.217 291 A C 2.093 179.845 177.584 0.280 0.000 1.191 291 A CA 1.773 53.895 52.037 0.142 0.000 0.623 291 A CB -0.819 18.355 19.000 0.289 0.000 0.826 291 A HN 0.806 nan 8.150 nan 0.000 0.444 292 F N 0.980 121.008 119.950 0.130 0.000 2.102 292 F HA -0.155 4.371 4.527 -0.001 0.000 0.298 292 F C 2.145 178.010 175.800 0.108 0.000 1.105 292 F CA 2.240 60.312 58.000 0.120 0.000 1.239 292 F CB -0.423 38.621 39.000 0.074 0.000 0.991 292 F HN 0.376 nan 8.300 nan 0.000 0.474 293 E N -0.184 119.964 120.200 -0.086 0.000 2.110 293 E HA -0.260 4.089 4.350 -0.001 0.000 0.193 293 E C 2.146 178.668 176.600 -0.129 0.000 0.988 293 E CA 1.377 57.663 56.400 -0.190 0.000 0.804 293 E CB -0.267 29.422 29.700 -0.018 0.000 0.745 293 E HN 0.598 nan 8.360 nan 0.000 0.458 294 E N 0.420 120.586 120.200 -0.058 0.000 2.072 294 E HA -0.159 4.191 4.350 -0.001 0.000 0.191 294 E C 1.956 178.657 176.600 0.168 0.000 0.985 294 E CA 0.954 57.340 56.400 -0.022 0.000 0.801 294 E CB -0.009 29.532 29.700 -0.265 0.000 0.750 294 E HN 0.221 nan 8.360 nan 0.000 0.452 295 A N 0.700 123.684 122.820 0.273 0.000 1.930 295 A HA -0.118 4.201 4.320 -0.001 0.000 0.217 295 A C 2.090 179.723 177.584 0.082 0.000 1.175 295 A CA 1.043 53.225 52.037 0.240 0.000 0.627 295 A CB -0.552 18.561 19.000 0.189 0.000 0.815 295 A HN 0.374 nan 8.150 nan 0.000 0.443 296 L N -0.108 121.021 121.223 -0.156 0.000 1.994 296 L HA -0.105 4.234 4.340 -0.001 0.000 0.208 296 L C 2.379 179.185 176.870 -0.107 0.000 1.071 296 L CA 1.962 56.655 54.840 -0.246 0.000 0.745 296 L CB -0.524 41.188 42.059 -0.577 0.000 0.892 296 L HN 0.139 nan 8.230 nan 0.000 0.431 297 V N -0.478 119.391 119.914 -0.074 0.000 2.332 297 V HA -0.317 3.802 4.120 -0.001 0.000 0.248 297 V C 2.327 178.420 176.094 -0.002 0.000 1.055 297 V CA 2.133 64.407 62.300 -0.042 0.000 1.038 297 V CB -0.883 30.928 31.823 -0.020 0.000 0.651 297 V HN 0.545 nan 8.190 nan 0.000 0.450 298 F N 1.505 121.421 119.950 -0.056 0.000 2.069 298 F HA -0.223 4.303 4.527 -0.001 0.000 0.298 298 F C 2.275 178.041 175.800 -0.058 0.000 1.113 298 F CA 1.750 59.732 58.000 -0.031 0.000 1.214 298 F CB -0.585 38.432 39.000 0.030 0.000 0.978 298 F HN 0.082 nan 8.300 nan 0.000 0.474 299 A N -0.290 122.521 122.820 -0.015 0.000 1.969 299 A HA -0.157 4.162 4.320 -0.001 0.000 0.218 299 A C 2.123 179.588 177.584 -0.198 0.000 1.169 299 A CA 1.525 53.504 52.037 -0.097 0.000 0.635 299 A CB -0.618 18.401 19.000 0.032 0.000 0.810 299 A HN 0.457 nan 8.150 nan 0.000 0.445 300 K N 0.054 120.324 120.400 -0.218 0.000 2.486 300 K HA -0.008 4.311 4.320 -0.001 0.000 0.194 300 K C 1.239 177.413 176.600 -0.711 0.000 1.033 300 K CA 1.020 57.121 56.287 -0.309 0.000 1.004 300 K CB 0.067 32.451 32.500 -0.193 0.000 0.798 300 K HN 0.623 nan 8.250 nan 0.000 0.495 301 S N -1.217 114.091 115.700 -0.652 0.000 2.817 301 S HA 0.101 4.571 4.470 -0.001 0.000 0.262 301 S C -0.380 173.969 174.600 -0.418 0.000 1.051 301 S CA -0.685 57.101 58.200 -0.690 0.000 1.185 301 S CB 0.568 63.567 63.200 -0.334 0.000 1.152 301 S HN 0.030 nan 8.310 nan 0.000 0.653 302 D N 1.590 121.737 120.400 -0.421 0.000 2.780 302 D HA 0.364 5.003 4.640 -0.001 0.000 0.242 302 D C 0.439 176.638 176.300 -0.167 0.000 1.135 302 D CA -0.046 53.737 54.000 -0.361 0.000 0.859 302 D CB 2.541 42.807 40.800 -0.891 0.000 1.530 302 D HN 0.169 nan 8.370 nan 0.000 0.493 303 T N 0.486 115.013 114.554 -0.044 0.000 3.040 303 T HA 0.124 4.473 4.350 -0.001 0.000 0.250 303 T C 1.038 175.750 174.700 0.019 0.000 1.058 303 T CA -0.166 61.939 62.100 0.008 0.000 0.988 303 T CB 0.194 69.062 68.868 -0.001 0.000 0.993 303 T HN 0.512 nan 8.240 nan 0.000 0.519 304 R N 0.856 121.355 120.500 -0.001 0.000 3.333 304 R HA -0.123 4.217 4.340 -0.001 0.000 0.256 304 R C 1.193 177.521 176.300 0.047 0.000 1.010 304 R CA 0.909 57.037 56.100 0.046 0.000 0.680 304 R CB -2.013 28.338 30.300 0.084 0.000 1.102 304 R HN 1.129 nan 8.270 nan 0.000 0.440 305 G N -2.742 106.078 108.800 0.032 0.000 2.162 305 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.260 305 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.260 305 G C 0.539 175.454 174.900 0.026 0.000 0.976 305 G CA 0.387 45.503 45.100 0.027 0.000 0.655 305 G HN 0.956 nan 8.290 nan 0.000 0.533 306 G N -0.989 107.832 108.800 0.036 0.000 2.795 306 G HA2 0.693 4.652 3.960 -0.001 0.000 0.267 306 G HA3 0.693 4.652 3.960 -0.001 0.000 0.267 306 G C 1.095 175.999 174.900 0.007 0.000 1.362 306 G CA 0.849 45.974 45.100 0.042 0.000 1.048 306 G HN 1.094 nan 8.290 nan 0.000 0.547 307 S N -1.642 114.054 115.700 -0.007 0.000 2.497 307 S HA 0.179 4.648 4.470 -0.001 0.000 0.218 307 S C 0.718 175.256 174.600 -0.104 0.000 1.023 307 S CA 0.101 58.272 58.200 -0.047 0.000 0.913 307 S CB -0.090 63.088 63.200 -0.036 0.000 0.800 307 S HN 0.693 nan 8.310 nan 0.000 0.505 308 K N 0.779 121.111 120.400 -0.115 0.000 2.267 308 K HA 0.464 4.783 4.320 -0.001 0.000 0.246 308 K C -1.072 175.428 176.600 -0.167 0.000 0.954 308 K CA -0.923 55.246 56.287 -0.197 0.000 0.824 308 K CB 0.610 32.990 32.500 -0.200 0.000 1.167 308 K HN -0.030 nan 8.250 nan 0.000 0.431 309 H N 1.253 120.244 119.070 -0.133 0.000 3.038 309 H HA -0.053 4.503 4.556 -0.001 0.000 0.338 309 H C 1.049 176.277 175.328 -0.166 0.000 1.041 309 H CA 0.029 55.993 56.048 -0.140 0.000 1.394 309 H CB 0.492 30.181 29.762 -0.121 0.000 1.357 309 H HN 0.589 nan 8.280 nan 0.000 0.600 310 I N 2.898 123.476 120.570 0.015 0.000 2.700 310 I HA -0.172 3.997 4.170 -0.001 0.000 0.261 310 I C 2.433 178.574 176.117 0.039 0.000 1.219 310 I CA 0.745 62.074 61.300 0.049 0.000 1.463 310 I CB -0.437 37.611 38.000 0.079 0.000 1.092 310 I HN 0.631 nan 8.210 nan 0.000 0.452 311 I N 0.216 120.788 120.570 0.004 0.000 2.916 311 I HA -0.197 3.972 4.170 -0.001 0.000 0.267 311 I C 1.702 177.807 176.117 -0.021 0.000 1.263 311 I CA 0.944 62.251 61.300 0.011 0.000 1.471 311 I CB -0.125 37.877 38.000 0.004 0.000 1.089 311 I HN 0.174 nan 8.210 nan 0.000 0.468 312 E N -0.079 120.050 120.200 -0.119 0.000 2.427 312 E HA -0.039 4.310 4.350 -0.001 0.000 0.196 312 E C 0.196 176.698 176.600 -0.165 0.000 1.028 312 E CA 0.426 56.729 56.400 -0.161 0.000 0.864 312 E CB -0.276 29.294 29.700 -0.218 0.000 0.813 312 E HN 0.525 nan 8.360 nan 0.000 0.514 313 H N 1.423 120.506 119.070 0.020 0.000 2.690 313 H HA 0.150 4.705 4.556 -0.001 0.000 0.314 313 H C 1.255 176.595 175.328 0.021 0.000 1.069 313 H CA 0.094 56.152 56.048 0.017 0.000 1.436 313 H CB 0.953 30.726 29.762 0.017 0.000 1.462 313 H HN 0.117 nan 8.280 nan 0.000 0.511 314 Q N 1.911 121.798 119.800 0.145 0.000 2.124 314 Q HA -0.105 4.234 4.340 -0.001 0.000 0.202 314 Q C 1.734 177.779 176.000 0.075 0.000 0.977 314 Q CA 1.548 57.401 55.803 0.084 0.000 0.850 314 Q CB 0.189 28.963 28.738 0.060 0.000 0.901 314 Q HN 0.524 nan 8.270 nan 0.000 0.429 315 S N 0.155 115.899 115.700 0.072 0.000 2.423 315 S HA -0.082 4.388 4.470 -0.001 0.000 0.231 315 S C 2.072 176.708 174.600 0.061 0.000 1.014 315 S CA 0.846 59.076 58.200 0.049 0.000 0.965 315 S CB -0.017 63.196 63.200 0.022 0.000 0.785 315 S HN 0.145 nan 8.310 nan 0.000 0.495 316 V N 1.848 121.817 119.914 0.092 0.000 2.323 316 V HA -0.094 4.025 4.120 -0.001 0.000 0.244 316 V C 2.666 178.814 176.094 0.089 0.000 1.041 316 V CA 1.537 63.895 62.300 0.095 0.000 1.025 316 V CB -1.196 30.705 31.823 0.130 0.000 0.656 316 V HN 0.520 nan 8.190 nan 0.000 0.451 317 A N 0.031 122.903 122.820 0.086 0.000 1.902 317 A HA -0.252 4.067 4.320 -0.001 0.000 0.217 317 A C 1.986 179.616 177.584 0.077 0.000 1.181 317 A CA 2.003 54.087 52.037 0.078 0.000 0.623 317 A CB -0.673 18.365 19.000 0.063 0.000 0.818 317 A HN 0.520 nan 8.150 nan 0.000 0.443 318 D N 0.137 120.575 120.400 0.064 0.000 2.106 318 D HA -0.163 4.476 4.640 -0.001 0.000 0.191 318 D C 1.891 178.227 176.300 0.059 0.000 0.997 318 D CA 1.352 55.384 54.000 0.053 0.000 0.834 318 D CB -0.211 40.614 40.800 0.041 0.000 0.956 318 D HN 0.225 nan 8.370 nan 0.000 0.448 319 K N 0.395 120.834 120.400 0.065 0.000 2.044 319 K HA -0.103 4.216 4.320 -0.001 0.000 0.210 319 K C 2.421 179.089 176.600 0.114 0.000 1.049 319 K CA 0.610 56.940 56.287 0.072 0.000 0.927 319 K CB -0.707 31.832 32.500 0.064 0.000 0.713 319 K HN 0.288 nan 8.250 nan 0.000 0.443 320 L N 0.222 121.537 121.223 0.153 0.000 2.109 320 L HA -0.073 4.266 4.340 -0.001 0.000 0.207 320 L C 2.433 179.448 176.870 0.242 0.000 1.086 320 L CA 0.564 55.571 54.840 0.279 0.000 0.760 320 L CB -0.398 41.818 42.059 0.261 0.000 0.910 320 L HN 0.047 nan 8.230 nan 0.000 0.437 321 I N 0.183 120.833 120.570 0.133 0.000 2.127 321 I HA -0.330 3.840 4.170 -0.001 0.000 0.241 321 I C 2.197 178.322 176.117 0.014 0.000 1.075 321 I CA 1.448 62.787 61.300 0.065 0.000 1.334 321 I CB -0.429 37.601 38.000 0.049 0.000 1.040 321 I HN 0.270 nan 8.210 nan 0.000 0.405 322 D N 0.508 120.924 120.400 0.025 0.000 2.104 322 D HA -0.179 4.460 4.640 -0.001 0.000 0.194 322 D C 2.300 178.580 176.300 -0.032 0.000 0.994 322 D CA 1.398 55.400 54.000 0.002 0.000 0.830 322 D CB -0.682 40.127 40.800 0.016 0.000 0.959 322 D HN 0.398 nan 8.370 nan 0.000 0.452 323 C N 0.823 120.115 119.300 -0.013 0.000 2.386 323 C HA -0.183 4.276 4.460 -0.001 0.000 0.279 323 C C 2.588 177.376 174.990 -0.337 0.000 1.208 323 C CA 0.839 59.807 59.018 -0.082 0.000 1.747 323 C CB -0.769 27.045 27.740 0.122 0.000 2.046 323 C HN 0.272 nan 8.230 nan 0.000 0.453 324 K N 1.117 121.199 120.400 -0.530 0.000 2.034 324 K HA -0.158 4.161 4.320 -0.001 0.000 0.214 324 K C 1.546 177.966 176.600 -0.300 0.000 1.051 324 K CA 1.841 57.758 56.287 -0.617 0.000 0.931 324 K CB -0.820 31.466 32.500 -0.355 0.000 0.715 324 K HN 0.576 nan 8.250 nan 0.000 0.446 325 I N 0.132 120.604 120.570 -0.164 0.000 2.286 325 I HA -0.290 3.880 4.170 -0.001 0.000 0.248 325 I C 2.362 178.444 176.117 -0.058 0.000 1.115 325 I CA 1.271 62.517 61.300 -0.090 0.000 1.392 325 I CB -0.209 37.767 38.000 -0.040 0.000 1.065 325 I HN 0.180 nan 8.210 nan 0.000 0.418 326 R N 0.527 120.983 120.500 -0.074 0.000 2.066 326 R HA -0.105 4.234 4.340 -0.001 0.000 0.232 326 R C 2.344 178.607 176.300 -0.061 0.000 1.131 326 R CA 1.215 57.286 56.100 -0.048 0.000 0.955 326 R CB -0.424 29.813 30.300 -0.106 0.000 0.851 326 R HN 0.317 nan 8.270 nan 0.000 0.432 327 L N 0.473 121.609 121.223 -0.146 0.000 2.017 327 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 327 L C 2.583 179.369 176.870 -0.140 0.000 1.073 327 L CA 1.305 56.054 54.840 -0.152 0.000 0.745 327 L CB -0.402 41.511 42.059 -0.243 0.000 0.894 327 L HN 0.149 nan 8.230 nan 0.000 0.432 328 E N 0.315 120.419 120.200 -0.160 0.000 2.023 328 E HA -0.223 4.127 4.350 -0.001 0.000 0.196 328 E C 2.145 178.659 176.600 -0.144 0.000 1.003 328 E CA 2.344 58.642 56.400 -0.169 0.000 0.809 328 E CB -0.360 29.244 29.700 -0.160 0.000 0.755 328 E HN 0.531 nan 8.360 nan 0.000 0.449 329 T N -1.944 112.570 114.554 -0.066 0.000 2.699 329 T HA -0.167 4.182 4.350 -0.001 0.000 0.268 329 T C 2.198 176.907 174.700 0.015 0.000 1.036 329 T CA 1.752 63.831 62.100 -0.034 0.000 1.147 329 T CB -0.672 68.216 68.868 0.035 0.000 0.862 329 T HN 0.034 nan 8.240 nan 0.000 0.446 330 S N 1.087 116.861 115.700 0.124 0.000 2.368 330 S HA -0.007 4.462 4.470 -0.001 0.000 0.225 330 S C 2.148 176.729 174.600 -0.033 0.000 1.030 330 S CA 1.156 59.438 58.200 0.136 0.000 0.999 330 S CB -0.375 62.869 63.200 0.073 0.000 0.844 330 S HN 0.570 nan 8.310 nan 0.000 0.459 331 R N 0.356 120.759 120.500 -0.161 0.000 2.092 331 R HA 0.000 4.340 4.340 -0.001 0.000 0.231 331 R C 2.001 178.036 176.300 -0.443 0.000 1.119 331 R CA 0.836 56.723 56.100 -0.355 0.000 0.970 331 R CB -0.290 29.706 30.300 -0.507 0.000 0.864 331 R HN 0.220 nan 8.270 nan 0.000 0.440 332 L N 0.765 121.804 121.223 -0.308 0.000 2.012 332 L HA -0.172 4.167 4.340 -0.001 0.000 0.210 332 L C 2.188 179.049 176.870 -0.015 0.000 1.073 332 L CA 1.418 56.161 54.840 -0.162 0.000 0.748 332 L CB -0.977 41.005 42.059 -0.128 0.000 0.891 332 L HN 0.255 nan 8.230 nan 0.000 0.431 333 L N -1.248 119.956 121.223 -0.032 0.000 2.042 333 L HA -0.182 4.157 4.340 -0.001 0.000 0.210 333 L C 2.453 179.361 176.870 0.063 0.000 1.076 333 L CA 1.498 56.342 54.840 0.006 0.000 0.749 333 L CB -0.554 41.491 42.059 -0.023 0.000 0.893 333 L HN 0.044 nan 8.230 nan 0.000 0.432 334 V N -1.518 118.439 119.914 0.071 0.000 2.295 334 V HA -0.286 3.833 4.120 -0.001 0.000 0.246 334 V C 2.248 178.506 176.094 0.274 0.000 1.049 334 V CA 1.909 64.292 62.300 0.138 0.000 1.024 334 V CB -0.851 31.052 31.823 0.134 0.000 0.648 334 V HN 0.546 nan 8.190 nan 0.000 0.447 335 W N 0.643 121.966 121.300 0.038 0.000 2.358 335 W HA -0.121 4.538 4.660 -0.001 0.000 0.303 335 W C 2.535 179.070 176.519 0.027 0.000 1.208 335 W CA 1.468 58.838 57.345 0.041 0.000 1.274 335 W CB -0.996 28.507 29.460 0.071 0.000 1.138 335 W HN 0.205 nan 8.180 nan 0.000 0.515 336 K N 0.718 121.273 120.400 0.258 0.000 2.103 336 K HA -0.125 4.195 4.320 -0.001 0.000 0.207 336 K C 2.043 178.695 176.600 0.085 0.000 1.048 336 K CA 2.038 58.405 56.287 0.133 0.000 0.930 336 K CB -0.681 31.875 32.500 0.094 0.000 0.716 336 K HN -0.060 nan 8.250 nan 0.000 0.444 337 A N 0.416 123.290 122.820 0.090 0.000 1.841 337 A HA -0.093 4.226 4.320 -0.001 0.000 0.214 337 A C 2.328 179.943 177.584 0.052 0.000 1.195 337 A CA 2.053 54.122 52.037 0.053 0.000 0.611 337 A CB -1.226 17.802 19.000 0.047 0.000 0.835 337 A HN 0.288 nan 8.150 nan 0.000 0.443 338 V N -2.609 117.351 119.914 0.076 0.000 2.392 338 V HA -0.211 3.908 4.120 -0.001 0.000 0.249 338 V C 2.182 178.298 176.094 0.036 0.000 1.059 338 V CA 2.826 65.159 62.300 0.055 0.000 1.051 338 V CB -1.868 29.990 31.823 0.058 0.000 0.658 338 V HN 0.427 nan 8.190 nan 0.000 0.455 339 T N 0.502 115.078 114.554 0.037 0.000 2.708 339 T HA -0.157 4.193 4.350 -0.001 0.000 0.266 339 T C 1.946 176.655 174.700 0.014 0.000 1.037 339 T CA 2.461 64.569 62.100 0.014 0.000 1.146 339 T CB -0.558 68.318 68.868 0.013 0.000 0.865 339 T HN 0.714 nan 8.240 nan 0.000 0.435 340 T N 2.144 116.709 114.554 0.018 0.000 2.788 340 T HA 0.040 4.389 4.350 -0.001 0.000 0.268 340 T C 1.896 176.609 174.700 0.021 0.000 1.044 340 T CA 0.836 62.941 62.100 0.009 0.000 1.139 340 T CB -0.360 68.506 68.868 -0.004 0.000 0.867 340 T HN 0.250 nan 8.240 nan 0.000 0.454 341 L N 0.576 121.818 121.223 0.031 0.000 2.201 341 L HA -0.042 4.297 4.340 -0.001 0.000 0.212 341 L C 2.498 179.413 176.870 0.075 0.000 1.105 341 L CA 1.232 56.114 54.840 0.070 0.000 0.775 341 L CB -0.375 41.733 42.059 0.082 0.000 0.913 341 L HN 0.313 nan 8.230 nan 0.000 0.440 342 E N -1.044 119.182 120.200 0.043 0.000 2.442 342 E HA -0.079 4.270 4.350 -0.001 0.000 0.195 342 E C 0.377 176.993 176.600 0.027 0.000 1.030 342 E CA -0.154 56.264 56.400 0.031 0.000 0.869 342 E CB 0.177 29.884 29.700 0.012 0.000 0.857 342 E HN 0.278 nan 8.360 nan 0.000 0.505 343 D N 1.299 121.717 120.400 0.029 0.000 2.371 343 D HA -0.027 4.612 4.640 -0.001 0.000 0.256 343 D C 0.290 176.614 176.300 0.039 0.000 1.193 343 D CA 0.384 54.399 54.000 0.025 0.000 0.881 343 D CB 1.012 41.823 40.800 0.019 0.000 1.143 343 D HN 0.025 nan 8.370 nan 0.000 0.473 344 E N 2.025 122.244 120.200 0.031 0.000 2.385 344 E HA 0.014 4.363 4.350 -0.001 0.000 0.194 344 E C 1.590 178.212 176.600 0.038 0.000 1.013 344 E CA 0.169 56.591 56.400 0.037 0.000 0.866 344 E CB 0.325 30.040 29.700 0.024 0.000 0.832 344 E HN 0.550 nan 8.360 nan 0.000 0.500 345 A N 0.591 123.430 122.820 0.031 0.000 2.066 345 A HA 0.033 4.352 4.320 -0.001 0.000 0.218 345 A C 0.944 178.549 177.584 0.036 0.000 1.157 345 A CA 0.456 52.510 52.037 0.029 0.000 0.670 345 A CB -0.096 18.918 19.000 0.022 0.000 0.804 345 A HN 0.079 nan 8.150 nan 0.000 0.453 346 L N 0.366 121.614 121.223 0.042 0.000 2.379 346 L HA 0.297 4.636 4.340 -0.001 0.000 0.269 346 L C 0.114 177.025 176.870 0.069 0.000 1.084 346 L CA -0.723 54.142 54.840 0.043 0.000 0.802 346 L CB 0.947 43.023 42.059 0.028 0.000 1.175 346 L HN 0.271 nan 8.230 nan 0.000 0.448 347 E N 0.688 120.926 120.200 0.064 0.000 2.349 347 E HA -0.079 4.270 4.350 -0.001 0.000 0.265 347 E C 0.246 176.931 176.600 0.142 0.000 1.064 347 E CA -0.298 56.165 56.400 0.105 0.000 0.886 347 E CB 1.125 30.872 29.700 0.078 0.000 1.036 347 E HN 0.682 nan 8.360 nan 0.000 0.413 348 W N 3.771 125.078 121.300 0.011 0.000 2.321 348 W HA -0.281 4.378 4.660 -0.001 0.000 0.306 348 W C 1.595 178.125 176.519 0.018 0.000 1.217 348 W CA 1.885 59.237 57.345 0.013 0.000 1.257 348 W CB 0.114 29.580 29.460 0.011 0.000 1.145 348 W HN 0.587 nan 8.180 nan 0.000 0.509 349 K N -0.246 120.091 120.400 -0.104 0.000 2.211 349 K HA -0.139 4.181 4.320 -0.001 0.000 0.203 349 K C 1.622 178.100 176.600 -0.203 0.000 1.050 349 K CA 1.705 57.872 56.287 -0.200 0.000 0.945 349 K CB -0.940 31.548 32.500 -0.020 0.000 0.732 349 K HN 0.076 nan 8.250 nan 0.000 0.451 350 V N 2.009 121.840 119.914 -0.139 0.000 2.323 350 V HA -0.181 3.939 4.120 -0.001 0.000 0.244 350 V C 2.178 178.164 176.094 -0.180 0.000 1.041 350 V CA 1.742 63.975 62.300 -0.111 0.000 1.025 350 V CB -0.424 31.363 31.823 -0.060 0.000 0.656 350 V HN 0.344 nan 8.190 nan 0.000 0.451 351 K N -0.073 120.172 120.400 -0.259 0.000 2.057 351 K HA -0.191 4.128 4.320 -0.001 0.000 0.207 351 K C 2.116 178.416 176.600 -0.501 0.000 1.049 351 K CA 1.527 57.616 56.287 -0.330 0.000 0.931 351 K CB -0.396 31.918 32.500 -0.311 0.000 0.714 351 K HN 0.285 nan 8.250 nan 0.000 0.440 352 L N 1.775 122.525 121.223 -0.790 0.000 2.027 352 L HA -0.137 4.203 4.340 -0.001 0.000 0.206 352 L C 2.326 179.012 176.870 -0.306 0.000 1.074 352 L CA 1.750 56.201 54.840 -0.648 0.000 0.745 352 L CB -0.337 41.273 42.059 -0.749 0.000 0.898 352 L HN 0.163 nan 8.230 nan 0.000 0.433 353 E N -0.743 119.317 120.200 -0.233 0.000 2.160 353 E HA -0.295 4.054 4.350 -0.001 0.000 0.195 353 E C 2.081 178.626 176.600 -0.092 0.000 0.991 353 E CA 1.759 58.087 56.400 -0.120 0.000 0.810 353 E CB -0.056 29.622 29.700 -0.037 0.000 0.742 353 E HN 0.497 nan 8.360 nan 0.000 0.466 354 M N 0.419 119.954 119.600 -0.108 0.000 2.160 354 M HA 0.004 4.483 4.480 -0.001 0.000 0.264 354 M C 2.054 178.320 176.300 -0.056 0.000 1.073 354 M CA 1.819 57.080 55.300 -0.065 0.000 1.142 354 M CB -0.452 32.111 32.600 -0.061 0.000 1.358 354 M HN 0.067 nan 8.290 nan 0.000 0.422 355 A N 0.288 123.054 122.820 -0.090 0.000 1.902 355 A HA -0.150 4.169 4.320 -0.001 0.000 0.217 355 A C 2.095 179.654 177.584 -0.042 0.000 1.181 355 A CA 1.960 53.962 52.037 -0.059 0.000 0.623 355 A CB -0.662 18.292 19.000 -0.078 0.000 0.818 355 A HN 0.554 nan 8.150 nan 0.000 0.443 356 M N -0.626 118.938 119.600 -0.061 0.000 2.065 356 M HA -0.209 4.270 4.480 -0.001 0.000 0.259 356 M C 2.244 178.536 176.300 -0.014 0.000 1.069 356 M CA 1.727 57.003 55.300 -0.041 0.000 1.110 356 M CB -1.712 30.852 32.600 -0.059 0.000 1.328 356 M HN 0.534 nan 8.290 nan 0.000 0.405 357 Q N -0.708 119.084 119.800 -0.013 0.000 2.173 357 Q HA -0.184 4.155 4.340 -0.001 0.000 0.208 357 Q C 1.944 177.976 176.000 0.053 0.000 0.989 357 Q CA 2.323 58.135 55.803 0.016 0.000 0.872 357 Q CB -0.218 28.521 28.738 0.003 0.000 0.909 357 Q HN 0.553 nan 8.270 nan 0.000 0.420 358 T N 0.257 114.834 114.554 0.038 0.000 2.809 358 T HA -0.081 4.268 4.350 -0.001 0.000 0.260 358 T C 1.662 176.404 174.700 0.071 0.000 1.039 358 T CA 0.694 62.832 62.100 0.064 0.000 1.141 358 T CB -0.020 68.871 68.868 0.039 0.000 0.869 358 T HN 0.078 nan 8.240 nan 0.000 0.437 359 K N 1.163 121.583 120.400 0.034 0.000 2.057 359 K HA -0.014 4.305 4.320 -0.001 0.000 0.207 359 K C 2.165 178.790 176.600 0.043 0.000 1.049 359 K CA 1.210 57.510 56.287 0.023 0.000 0.931 359 K CB -0.592 31.906 32.500 -0.003 0.000 0.714 359 K HN 0.359 nan 8.250 nan 0.000 0.440 360 I N -0.273 120.328 120.570 0.053 0.000 2.090 360 I HA -0.316 3.853 4.170 -0.001 0.000 0.236 360 I C 2.411 178.578 176.117 0.084 0.000 1.064 360 I CA 1.465 62.800 61.300 0.059 0.000 1.324 360 I CB -0.569 37.463 38.000 0.054 0.000 1.044 360 I HN 0.109 nan 8.210 nan 0.000 0.399 361 Y N 1.839 122.139 120.300 0.000 0.000 2.081 361 Y HA -0.381 4.168 4.550 -0.001 0.000 0.280 361 Y C 2.959 178.859 175.900 0.000 0.000 1.163 361 Y CA 2.550 60.651 58.100 0.000 0.000 1.135 361 Y CB -0.775 37.683 38.460 -0.004 0.000 0.970 361 Y HN 0.372 nan 8.280 nan 0.000 0.498 362 T N -3.301 111.272 114.554 0.032 0.000 2.737 362 T HA -0.187 4.162 4.350 -0.001 0.000 0.265 362 T C 1.911 176.557 174.700 -0.090 0.000 1.038 362 T CA 2.068 64.130 62.100 -0.063 0.000 1.144 362 T CB -1.380 67.498 68.868 0.016 0.000 0.866 362 T HN 0.548 nan 8.240 nan 0.000 0.434 363 T N -0.026 114.517 114.554 -0.018 0.000 2.812 363 T HA -0.094 4.255 4.350 -0.001 0.000 0.264 363 T C 1.695 176.402 174.700 0.012 0.000 1.042 363 T CA 1.263 63.392 62.100 0.048 0.000 1.140 363 T CB -0.697 68.245 68.868 0.123 0.000 0.870 363 T HN 0.212 nan 8.240 nan 0.000 0.445 364 D N 0.952 121.328 120.400 -0.041 0.000 2.104 364 D HA -0.043 4.596 4.640 -0.001 0.000 0.194 364 D C 2.192 178.425 176.300 -0.111 0.000 0.994 364 D CA 0.834 54.797 54.000 -0.061 0.000 0.830 364 D CB -0.582 40.181 40.800 -0.062 0.000 0.959 364 D HN 0.283 nan 8.370 nan 0.000 0.452 365 V N 0.540 120.311 119.914 -0.239 0.000 2.951 365 V HA -0.030 4.089 4.120 -0.001 0.000 0.255 365 V C 2.177 178.173 176.094 -0.164 0.000 1.088 365 V CA 1.204 63.328 62.300 -0.293 0.000 1.109 365 V CB -0.145 31.268 31.823 -0.683 0.000 0.724 365 V HN 0.160 nan 8.190 nan 0.000 0.471 366 A N -0.292 122.469 122.820 -0.099 0.000 1.969 366 A HA -0.125 4.194 4.320 -0.001 0.000 0.218 366 A C 2.287 179.891 177.584 0.032 0.000 1.169 366 A CA 1.881 53.914 52.037 -0.006 0.000 0.635 366 A CB -0.417 18.620 19.000 0.061 0.000 0.810 366 A HN 0.366 nan 8.150 nan 0.000 0.445 367 V N -0.024 119.902 119.914 0.020 0.000 2.307 367 V HA -0.259 3.860 4.120 -0.001 0.000 0.245 367 V C 2.321 178.422 176.094 0.011 0.000 1.045 367 V CA 2.227 64.539 62.300 0.020 0.000 1.024 367 V CB -0.893 30.934 31.823 0.006 0.000 0.651 367 V HN 0.625 nan 8.190 nan 0.000 0.449 368 E N -1.002 119.190 120.200 -0.013 0.000 2.204 368 E HA -0.229 4.120 4.350 -0.001 0.000 0.195 368 E C 2.214 178.818 176.600 0.007 0.000 0.990 368 E CA 1.420 57.814 56.400 -0.010 0.000 0.821 368 E CB -0.292 29.390 29.700 -0.031 0.000 0.750 368 E HN 0.675 nan 8.360 nan 0.000 0.477 369 C N -0.035 119.271 119.300 0.010 0.000 2.462 369 C HA -0.091 4.369 4.460 -0.001 0.000 0.278 369 C C 2.623 177.670 174.990 0.096 0.000 1.253 369 C CA 0.560 59.603 59.018 0.042 0.000 1.713 369 C CB -0.741 27.013 27.740 0.023 0.000 2.049 369 C HN 0.203 nan 8.230 nan 0.000 0.477 370 V N 1.444 121.421 119.914 0.105 0.000 2.287 370 V HA -0.234 3.886 4.120 -0.001 0.000 0.248 370 V C 2.274 178.429 176.094 0.103 0.000 1.053 370 V CA 2.568 64.958 62.300 0.149 0.000 1.027 370 V CB -0.631 31.274 31.823 0.137 0.000 0.646 370 V HN 0.580 nan 8.190 nan 0.000 0.447 371 I N -0.121 120.482 120.570 0.055 0.000 2.226 371 I HA -0.216 3.953 4.170 -0.001 0.000 0.245 371 I C 2.309 178.423 176.117 -0.004 0.000 1.100 371 I CA 1.556 62.867 61.300 0.019 0.000 1.374 371 I CB -0.535 37.472 38.000 0.012 0.000 1.057 371 I HN 0.304 nan 8.210 nan 0.000 0.413 372 D N 1.144 121.553 120.400 0.015 0.000 2.123 372 D HA -0.165 4.474 4.640 -0.001 0.000 0.196 372 D C 2.269 178.573 176.300 0.007 0.000 0.992 372 D CA 1.574 55.583 54.000 0.015 0.000 0.833 372 D CB -0.179 40.643 40.800 0.036 0.000 0.954 372 D HN 0.345 nan 8.370 nan 0.000 0.455 373 A N 0.778 123.622 122.820 0.041 0.000 1.892 373 A HA -0.224 4.095 4.320 -0.001 0.000 0.218 373 A C 2.305 179.733 177.584 -0.261 0.000 1.188 373 A CA 1.744 53.794 52.037 0.022 0.000 0.631 373 A CB -0.624 18.513 19.000 0.228 0.000 0.822 373 A HN 0.185 nan 8.150 nan 0.000 0.447 374 M N -0.873 118.524 119.600 -0.339 0.000 2.117 374 M HA -0.188 4.291 4.480 -0.001 0.000 0.262 374 M C 2.133 178.254 176.300 -0.299 0.000 1.065 374 M CA 1.935 56.933 55.300 -0.504 0.000 1.114 374 M CB -0.395 32.041 32.600 -0.273 0.000 1.361 374 M HN 0.343 nan 8.290 nan 0.000 0.408 375 K N 0.280 120.586 120.400 -0.157 0.000 2.148 375 K HA -0.038 4.281 4.320 -0.001 0.000 0.204 375 K C 2.130 178.685 176.600 -0.075 0.000 1.050 375 K CA 1.207 57.435 56.287 -0.098 0.000 0.942 375 K CB -0.263 32.205 32.500 -0.055 0.000 0.724 375 K HN 0.283 nan 8.250 nan 0.000 0.446 376 A N 1.160 123.942 122.820 -0.063 0.000 1.865 376 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 376 A C 2.386 179.978 177.584 0.013 0.000 1.191 376 A CA 1.655 53.690 52.037 -0.002 0.000 0.623 376 A CB -0.801 18.216 19.000 0.028 0.000 0.826 376 A HN 0.075 nan 8.150 nan 0.000 0.444 377 V N -1.090 118.754 119.914 -0.116 0.000 2.427 377 V HA 0.203 4.323 4.120 -0.001 0.000 0.248 377 V C 1.763 177.787 176.094 -0.116 0.000 1.051 377 V CA 1.397 63.587 62.300 -0.184 0.000 1.048 377 V CB -1.597 29.858 31.823 -0.614 0.000 0.666 377 V HN 1.319 nan 8.190 nan 0.000 0.456 378 G N -1.039 107.678 108.800 -0.138 0.000 2.508 378 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.220 378 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.220 378 G C 0.341 175.175 174.900 -0.110 0.000 1.287 378 G CA 0.232 45.281 45.100 -0.084 0.000 0.916 378 G HN 0.126 nan 8.290 nan 0.000 0.574 379 M N 0.419 119.981 119.600 -0.063 0.000 2.144 379 M HA 0.011 4.491 4.480 -0.001 0.000 0.260 379 M C 2.318 178.606 176.300 -0.020 0.000 1.067 379 M CA 2.906 58.179 55.300 -0.045 0.000 1.095 379 M CB -0.618 31.968 32.600 -0.023 0.000 1.365 379 M HN 0.565 nan 8.290 nan 0.000 0.406 380 K N -0.705 119.656 120.400 -0.065 0.000 2.360 380 K HA -0.092 4.228 4.320 -0.001 0.000 0.201 380 K C 1.757 178.313 176.600 -0.074 0.000 1.046 380 K CA 1.385 57.628 56.287 -0.073 0.000 0.945 380 K CB -0.302 32.119 32.500 -0.132 0.000 0.750 380 K HN 0.573 nan 8.250 nan 0.000 0.464 381 S N -0.561 115.055 115.700 -0.139 0.000 2.555 381 S HA -0.121 4.348 4.470 -0.001 0.000 0.230 381 S C 1.569 176.222 174.600 0.089 0.000 0.978 381 S CA 0.340 58.480 58.200 -0.098 0.000 0.934 381 S CB -0.212 62.639 63.200 -0.581 0.000 0.766 381 S HN 0.346 nan 8.310 nan 0.000 0.533 382 Y N 2.367 122.636 120.300 -0.052 0.000 2.482 382 Y HA 0.569 5.118 4.550 -0.001 0.000 0.270 382 Y C 0.952 176.851 175.900 -0.002 0.000 1.152 382 Y CA -0.531 57.555 58.100 -0.023 0.000 1.292 382 Y CB -0.256 38.182 38.460 -0.038 0.000 1.070 382 Y HN 0.442 nan 8.280 nan 0.000 0.528 383 A N 0.084 122.922 122.820 0.031 0.000 2.320 383 A HA 0.390 4.709 4.320 -0.001 0.000 0.334 383 A C 0.674 178.240 177.584 -0.030 0.000 1.147 383 A CA -0.712 51.313 52.037 -0.020 0.000 0.820 383 A CB 0.932 19.945 19.000 0.022 0.000 1.218 383 A HN 0.336 nan 8.150 nan 0.000 0.482 384 K N 0.564 120.933 120.400 -0.051 0.000 2.505 384 K HA -0.025 4.295 4.320 -0.001 0.000 0.192 384 K C 0.083 176.659 176.600 -0.040 0.000 1.025 384 K CA 0.717 56.972 56.287 -0.053 0.000 1.086 384 K CB 0.188 32.650 32.500 -0.063 0.000 0.840 384 K HN 0.793 nan 8.250 nan 0.000 0.514 385 D N 0.162 120.547 120.400 -0.024 0.000 2.347 385 D HA -0.085 4.554 4.640 -0.001 0.000 0.215 385 D C 0.736 177.022 176.300 -0.023 0.000 0.976 385 D CA 0.567 54.554 54.000 -0.021 0.000 0.884 385 D CB 0.140 40.935 40.800 -0.007 0.000 0.915 385 D HN 0.121 nan 8.370 nan 0.000 0.526 386 M N -0.276 119.316 119.600 -0.013 0.000 2.706 386 M HA 0.255 4.734 4.480 -0.001 0.000 0.304 386 M C 0.944 177.188 176.300 -0.094 0.000 1.217 386 M CA -0.742 54.542 55.300 -0.026 0.000 0.922 386 M CB 2.132 34.794 32.600 0.103 0.000 1.637 386 M HN -0.318 nan 8.290 nan 0.000 0.492 387 S N 0.149 115.688 115.700 -0.268 0.000 2.453 387 S HA -0.021 4.449 4.470 -0.001 0.000 0.231 387 S C 1.382 175.822 174.600 -0.267 0.000 1.005 387 S CA 1.037 59.052 58.200 -0.308 0.000 0.949 387 S CB -0.253 62.696 63.200 -0.419 0.000 0.774 387 S HN 0.487 nan 8.310 nan 0.000 0.510 388 F N 1.867 121.780 119.950 -0.061 0.000 2.126 388 F HA -0.033 4.493 4.527 -0.001 0.000 0.299 388 F C -0.515 175.245 175.800 -0.067 0.000 1.096 388 F CA 0.779 58.746 58.000 -0.054 0.000 1.255 388 F CB -2.088 36.881 39.000 -0.052 0.000 0.997 388 F HN 0.204 nan 8.300 nan 0.000 0.479 389 P HA -0.181 nan 4.420 nan 0.000 0.216 389 P C 1.604 178.871 177.300 -0.055 0.000 1.153 389 P CA 1.608 64.686 63.100 -0.037 0.000 0.848 389 P CB -0.134 31.500 31.700 -0.109 0.000 0.787 390 R N 0.012 120.472 120.500 -0.066 0.000 2.081 390 R HA -0.106 4.233 4.340 -0.001 0.000 0.235 390 R C 2.159 178.399 176.300 -0.101 0.000 1.131 390 R CA 1.350 57.399 56.100 -0.086 0.000 0.960 390 R CB -0.877 29.375 30.300 -0.079 0.000 0.856 390 R HN 0.167 nan 8.270 nan 0.000 0.436 391 L N 0.632 121.814 121.223 -0.069 0.000 2.046 391 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 391 L C 2.546 179.397 176.870 -0.031 0.000 1.077 391 L CA 0.675 55.490 54.840 -0.042 0.000 0.747 391 L CB -0.579 41.474 42.059 -0.010 0.000 0.896 391 L HN 0.267 nan 8.230 nan 0.000 0.432 392 L N 0.170 121.395 121.223 0.002 0.000 2.042 392 L HA -0.220 4.119 4.340 -0.001 0.000 0.210 392 L C 2.273 179.104 176.870 -0.064 0.000 1.076 392 L CA 1.862 56.702 54.840 -0.001 0.000 0.749 392 L CB -0.744 41.329 42.059 0.024 0.000 0.893 392 L HN 0.262 nan 8.230 nan 0.000 0.432 393 N N -0.284 118.357 118.700 -0.097 0.000 2.135 393 N HA -0.161 4.579 4.740 -0.001 0.000 0.186 393 N C 1.705 177.080 175.510 -0.225 0.000 1.027 393 N CA 1.653 54.623 53.050 -0.133 0.000 0.849 393 N CB -0.132 38.282 38.487 -0.122 0.000 1.002 393 N HN 0.565 nan 8.380 nan 0.000 0.425 394 E N 0.564 120.574 120.200 -0.317 0.000 2.204 394 E HA -0.082 4.267 4.350 -0.001 0.000 0.194 394 E C 1.822 178.107 176.600 -0.526 0.000 0.989 394 E CA 0.428 56.481 56.400 -0.578 0.000 0.824 394 E CB 0.106 29.423 29.700 -0.639 0.000 0.756 394 E HN 0.031 nan 8.360 nan 0.000 0.477 395 V N 0.748 120.464 119.914 -0.330 0.000 2.871 395 V HA -0.117 4.003 4.120 -0.001 0.000 0.256 395 V C 1.738 177.651 176.094 -0.302 0.000 1.082 395 V CA 0.888 63.012 62.300 -0.294 0.000 1.105 395 V CB -0.013 31.812 31.823 0.003 0.000 0.713 395 V HN 0.288 nan 8.190 nan 0.000 0.473 396 M N -1.402 118.054 119.600 -0.239 0.000 2.562 396 M HA -0.054 4.425 4.480 -0.001 0.000 0.257 396 M C 2.198 178.370 176.300 -0.213 0.000 1.099 396 M CA 0.986 56.188 55.300 -0.162 0.000 1.099 396 M CB -1.887 30.650 32.600 -0.104 0.000 1.427 396 M HN 0.596 nan 8.290 nan 0.000 0.489 397 C N 0.235 119.306 119.300 -0.382 0.000 2.422 397 C HA -0.202 4.257 4.460 -0.001 0.000 0.279 397 C C 2.553 177.308 174.990 -0.391 0.000 1.305 397 C CA 0.864 59.607 59.018 -0.457 0.000 1.757 397 C CB -0.922 26.438 27.740 -0.632 0.000 1.962 397 C HN 0.488 nan 8.230 nan 0.000 0.499 398 Y N 1.947 122.136 120.300 -0.185 0.000 2.184 398 Y HA 0.075 4.624 4.550 -0.001 0.000 0.290 398 Y C 0.130 176.137 175.900 0.178 0.000 1.129 398 Y CA 0.859 58.965 58.100 0.010 0.000 1.144 398 Y CB -2.333 36.137 38.460 0.016 0.000 0.995 398 Y HN 0.368 nan 8.280 nan 0.000 0.513 399 P HA -0.063 nan 4.420 nan 0.000 0.226 399 P C 1.228 178.585 177.300 0.094 0.000 1.153 399 P CA 1.396 64.571 63.100 0.125 0.000 0.777 399 P CB 0.009 31.744 31.700 0.059 0.000 0.794 400 L N -1.714 119.565 121.223 0.093 0.000 2.298 400 L HA 0.148 4.487 4.340 -0.001 0.000 0.209 400 L C 1.825 178.730 176.870 0.058 0.000 1.084 400 L CA 0.224 55.077 54.840 0.021 0.000 0.816 400 L CB -0.521 41.504 42.059 -0.058 0.000 0.967 400 L HN -0.020 nan 8.230 nan 0.000 0.460 401 F N -0.504 119.376 119.950 -0.118 0.000 2.321 401 F HA 0.312 4.839 4.527 -0.001 0.000 0.318 401 F C 0.840 176.589 175.800 -0.085 0.000 1.129 401 F CA -0.806 57.107 58.000 -0.145 0.000 1.074 401 F CB 0.322 39.243 39.000 -0.131 0.000 1.432 401 F HN -0.057 nan 8.300 nan 0.000 0.502 402 D N 0.441 120.455 120.400 -0.644 0.000 2.792 402 D HA -0.089 4.550 4.640 -0.001 0.000 0.231 402 D C -0.003 176.114 176.300 -0.305 0.000 1.160 402 D CA 1.775 55.445 54.000 -0.549 0.000 0.697 402 D CB -1.372 38.908 40.800 -0.866 0.000 1.070 402 D HN 1.491 nan 8.370 nan 0.000 0.426 403 G N -1.385 107.243 108.800 -0.287 0.000 3.110 403 G HA2 0.314 4.274 3.960 -0.001 0.000 0.506 403 G HA3 0.314 4.274 3.960 -0.001 0.000 0.506 403 G C 0.485 175.296 174.900 -0.150 0.000 1.077 403 G CA -0.052 44.890 45.100 -0.263 0.000 0.960 403 G HN 0.872 nan 8.290 nan 0.000 0.434 404 G N 1.338 110.067 108.800 -0.117 0.000 2.559 404 G HA2 0.356 4.316 3.960 -0.001 0.000 0.235 404 G HA3 0.356 4.316 3.960 -0.001 0.000 0.235 404 G C 1.019 175.892 174.900 -0.043 0.000 1.266 404 G CA 0.297 45.360 45.100 -0.061 0.000 0.847 404 G HN 0.650 nan 8.290 nan 0.000 0.583 405 N N 0.519 119.209 118.700 -0.016 0.000 2.166 405 N HA -0.129 4.610 4.740 -0.001 0.000 0.186 405 N C 2.145 177.646 175.510 -0.016 0.000 1.019 405 N CA 0.710 53.754 53.050 -0.010 0.000 0.856 405 N CB -0.054 38.437 38.487 0.006 0.000 0.993 405 N HN 0.420 nan 8.380 nan 0.000 0.426 406 I N -0.114 120.446 120.570 -0.017 0.000 2.235 406 I HA -0.011 4.158 4.170 -0.001 0.000 0.241 406 I C 2.302 178.408 176.117 -0.017 0.000 1.085 406 I CA 1.164 62.455 61.300 -0.015 0.000 1.378 406 I CB -1.579 36.413 38.000 -0.013 0.000 1.076 406 I HN 0.093 nan 8.210 nan 0.000 0.415 407 G N 0.057 108.844 108.800 -0.022 0.000 2.426 407 G HA2 0.023 3.982 3.960 -0.001 0.000 0.214 407 G HA3 0.023 3.982 3.960 -0.001 0.000 0.214 407 G C 1.784 176.675 174.900 -0.016 0.000 1.156 407 G CA 0.183 45.273 45.100 -0.016 0.000 0.802 407 G HN 0.238 nan 8.290 nan 0.000 0.534 408 L N -0.660 120.544 121.223 -0.033 0.000 2.347 408 L HA 0.249 4.589 4.340 -0.001 0.000 0.196 408 L C 2.725 179.574 176.870 -0.035 0.000 1.072 408 L CA 0.322 55.141 54.840 -0.036 0.000 0.817 408 L CB 0.020 42.029 42.059 -0.083 0.000 1.029 408 L HN -0.114 nan 8.230 nan 0.000 0.478 409 K N 0.510 120.885 120.400 -0.042 0.000 2.057 409 K HA -0.055 4.264 4.320 -0.001 0.000 0.206 409 K C 2.117 178.698 176.600 -0.033 0.000 1.050 409 K CA 1.244 57.509 56.287 -0.037 0.000 0.935 409 K CB -0.211 32.270 32.500 -0.031 0.000 0.715 409 K HN 0.246 nan 8.250 nan 0.000 0.439 410 R N 0.362 120.845 120.500 -0.028 0.000 2.115 410 R HA 0.000 4.339 4.340 -0.001 0.000 0.226 410 R C 2.322 178.597 176.300 -0.041 0.000 1.100 410 R CA 0.743 56.824 56.100 -0.032 0.000 0.980 410 R CB -0.105 30.181 30.300 -0.023 0.000 0.875 410 R HN -0.038 nan 8.270 nan 0.000 0.445 411 R N 0.955 121.436 120.500 -0.032 0.000 2.066 411 R HA -0.056 4.284 4.340 -0.001 0.000 0.232 411 R C 2.211 178.489 176.300 -0.037 0.000 1.131 411 R CA 1.414 57.495 56.100 -0.032 0.000 0.955 411 R CB -0.391 29.900 30.300 -0.015 0.000 0.851 411 R HN 0.293 nan 8.270 nan 0.000 0.432 412 Q N -0.450 119.333 119.800 -0.028 0.000 2.096 412 Q HA -0.186 4.154 4.340 -0.001 0.000 0.204 412 Q C 2.117 178.079 176.000 -0.064 0.000 0.982 412 Q CA 1.793 57.579 55.803 -0.029 0.000 0.850 412 Q CB -0.181 28.550 28.738 -0.012 0.000 0.901 412 Q HN 0.346 nan 8.270 nan 0.000 0.422 413 M N 0.429 119.984 119.600 -0.075 0.000 2.099 413 M HA -0.237 4.242 4.480 -0.001 0.000 0.262 413 M C 2.338 178.548 176.300 -0.150 0.000 1.067 413 M CA 1.566 56.801 55.300 -0.108 0.000 1.124 413 M CB -0.068 32.479 32.600 -0.089 0.000 1.353 413 M HN 0.143 nan 8.290 nan 0.000 0.410 414 Q N 0.173 119.899 119.800 -0.123 0.000 2.112 414 Q HA -0.273 4.067 4.340 -0.001 0.000 0.206 414 Q C 2.140 178.047 176.000 -0.156 0.000 0.987 414 Q CA 1.838 57.557 55.803 -0.140 0.000 0.858 414 Q CB -0.240 28.442 28.738 -0.092 0.000 0.905 414 Q HN 0.515 nan 8.270 nan 0.000 0.420 415 R N -0.376 120.054 120.500 -0.117 0.000 2.083 415 R HA -0.151 4.189 4.340 -0.001 0.000 0.237 415 R C 2.256 178.475 176.300 -0.136 0.000 1.137 415 R CA 1.672 57.711 56.100 -0.101 0.000 0.951 415 R CB -0.265 29.997 30.300 -0.063 0.000 0.851 415 R HN 0.219 nan 8.270 nan 0.000 0.434 416 V N 1.355 121.173 119.914 -0.160 0.000 2.287 416 V HA -0.317 3.802 4.120 -0.001 0.000 0.248 416 V C 2.379 178.241 176.094 -0.387 0.000 1.053 416 V CA 2.172 64.361 62.300 -0.185 0.000 1.027 416 V CB -0.380 31.351 31.823 -0.153 0.000 0.646 416 V HN 0.416 nan 8.190 nan 0.000 0.447 417 M N -0.120 119.093 119.600 -0.646 0.000 2.374 417 M HA -0.073 4.407 4.480 -0.001 0.000 0.264 417 M C 2.189 178.154 176.300 -0.558 0.000 1.067 417 M CA 1.750 56.353 55.300 -1.161 0.000 1.103 417 M CB -0.531 31.537 32.600 -0.887 0.000 1.402 417 M HN 0.370 nan 8.290 nan 0.000 0.444 418 A N 0.730 123.373 122.820 -0.295 0.000 2.016 418 A HA 0.144 4.463 4.320 -0.001 0.000 0.217 418 A C 1.148 178.682 177.584 -0.084 0.000 1.162 418 A CA 0.209 52.155 52.037 -0.150 0.000 0.662 418 A CB -0.562 18.372 19.000 -0.110 0.000 0.812 418 A HN 0.357 nan 8.150 nan 0.000 0.450 419 L N -0.082 121.097 121.223 -0.074 0.000 2.529 419 L HA -0.041 4.299 4.340 -0.001 0.000 0.287 419 L C 1.622 178.511 176.870 0.032 0.000 1.241 419 L CA -0.131 54.704 54.840 -0.009 0.000 0.857 419 L CB 0.227 42.295 42.059 0.014 0.000 1.113 419 L HN 0.395 nan 8.230 nan 0.000 0.504 420 E N 1.296 121.512 120.200 0.027 0.000 2.118 420 E HA -0.224 4.126 4.350 -0.001 0.000 0.195 420 E C 0.942 177.571 176.600 0.049 0.000 0.992 420 E CA 1.727 58.146 56.400 0.032 0.000 0.804 420 E CB 0.118 29.829 29.700 0.019 0.000 0.741 420 E HN 0.753 nan 8.360 nan 0.000 0.458 421 D N -0.905 119.528 120.400 0.055 0.000 2.427 421 D HA -0.098 4.541 4.640 -0.001 0.000 0.224 421 D C -0.424 175.912 176.300 0.061 0.000 1.157 421 D CA -0.516 53.511 54.000 0.045 0.000 0.828 421 D CB -0.961 39.857 40.800 0.031 0.000 0.974 421 D HN 0.273 nan 8.370 nan 0.000 0.498 422 Y N 2.359 122.630 120.300 -0.050 0.000 2.605 422 Y HA 0.083 4.633 4.550 -0.001 0.000 0.336 422 Y C -0.119 175.725 175.900 -0.093 0.000 1.111 422 Y CA -0.174 57.879 58.100 -0.078 0.000 1.422 422 Y CB 0.483 38.887 38.460 -0.093 0.000 1.193 422 Y HN -0.099 nan 8.280 nan 0.000 0.526 423 E N 9.033 128.908 120.200 -0.541 0.000 2.073 423 E HA 0.126 4.475 4.350 -0.001 0.000 0.269 423 E C -1.956 174.083 176.600 -0.934 0.000 0.917 423 E CA -1.993 54.060 56.400 -0.578 0.000 0.757 423 E CB 1.093 30.649 29.700 -0.240 0.000 1.111 423 E HN 0.610 nan 8.360 nan 0.000 0.410 424 P HA -0.183 nan 4.420 nan 0.000 0.216 424 P C 0.058 176.799 177.300 -0.933 0.000 1.150 424 P CA 1.461 63.736 63.100 -1.374 0.000 0.843 424 P CB 0.062 30.788 31.700 -1.623 0.000 0.787 425 W N -1.380 119.826 121.300 -0.157 0.000 2.862 425 W HA 0.603 5.262 4.660 -0.001 0.000 0.426 425 W C 1.871 178.360 176.519 -0.051 0.000 0.950 425 W CA -0.305 57.002 57.345 -0.064 0.000 2.150 425 W CB -0.450 29.050 29.460 0.068 0.000 1.161 425 W HN -0.093 nan 8.180 nan 0.000 0.696 426 A N 1.232 124.074 122.820 0.037 0.000 1.883 426 A HA -0.118 4.201 4.320 -0.001 0.000 0.217 426 A C 2.197 179.805 177.584 0.040 0.000 1.186 426 A CA 2.250 54.307 52.037 0.033 0.000 0.624 426 A CB -0.833 18.148 19.000 -0.031 0.000 0.822 426 A HN 0.294 nan 8.150 nan 0.000 0.444 427 A N -1.598 121.232 122.820 0.018 0.000 2.172 427 A HA 0.076 4.395 4.320 -0.001 0.000 0.216 427 A C 2.044 179.612 177.584 -0.025 0.000 1.154 427 A CA 1.975 54.012 52.037 0.001 0.000 0.701 427 A CB -0.603 18.393 19.000 -0.007 0.000 0.789 427 A HN 0.460 nan 8.150 nan 0.000 0.465 428 T N -2.694 111.828 114.554 -0.053 0.000 3.045 428 T HA 0.128 4.477 4.350 -0.001 0.000 0.239 428 T C 0.915 175.438 174.700 -0.294 0.000 1.008 428 T CA 0.740 62.683 62.100 -0.261 0.000 1.143 428 T CB -0.129 68.439 68.868 -0.500 0.000 0.894 428 T HN 0.541 nan 8.240 nan 0.000 0.451 429 Y N 1.247 121.582 120.300 0.058 0.000 2.660 429 Y HA 0.458 5.008 4.550 -0.001 0.000 0.254 429 Y C 1.334 177.251 175.900 0.029 0.000 1.176 429 Y CA -0.560 57.559 58.100 0.033 0.000 1.195 429 Y CB 0.577 39.060 38.460 0.039 0.000 1.190 429 Y HN 0.386 nan 8.280 nan 0.000 0.535 430 G N 0.824 109.708 108.800 0.140 0.000 2.856 430 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.674 430 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.674 430 G C -0.076 174.871 174.900 0.079 0.000 1.519 430 G CA -0.204 44.948 45.100 0.087 0.000 0.940 430 G HN 0.231 nan 8.290 nan 0.000 0.564 431 S N 0.000 115.728 115.700 0.047 0.000 2.498 431 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 431 S CA 0.000 58.219 58.200 0.032 0.000 1.107 431 S CB 0.000 63.213 63.200 0.022 0.000 0.593 431 S HN 0.000 nan 8.310 nan 0.000 0.517