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 2rjr_1_B DATA FIRST_RESID 12 DATA SEQUENCE PVSVDGETLT VEAVRRVAEE RATVDVPAES IAKAQKSREI FEGIAEQNIP DATA SEQUENCE IYGVTTGYGE MIYMQVDKSK EVELQTNLVR SHSAGVGPLF AEDEARAIVA DATA SEQUENCE ARLNTLAKGH SAVRPIILER LAQYLNEGIT PAIPEIGSLG XXXDLAPLSH DATA SEQUENCE VASTLIGEGY VLRDGRPVET AQVLAERGIE PLELRFKEGL ALINGTSGMT DATA SEQUENCE GLGSLVVGRA LEQAQQAEIV TALLIEAVRG STSPFLAEGH DIARPHEGQI DATA SEQUENCE DTAANMRALM RGSGLTVEHA DLRRELQKDK EAGKDVQRSE IYLQKAYSLR DATA SEQUENCE AIPQVVGAVR DTLYHARHKL RIELNSANDN PLFFEGKEIF HGANFHGQPI DATA SEQUENCE AFAMDFVTIA LTQLGVLAER QINRVLNRHL SYGLPEFLVS GDPGLHSGFA DATA SEQUENCE GAQYPATALV AENRTIGPAS TQSVPSNGDN QDVVSMGLIS ARNARRVLSN DATA SEQUENCE NNKILAVEYL AAAQAVDISG RFDGLSPAAK ATYEAVRRLV PTLGVDRYMA DATA SEQUENCE DDIELVADAL SRGEFLRAIA RETDIQLR 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 12 P HA 0.000 nan 4.420 nan 0.000 0.216 12 P C 0.000 177.303 177.300 0.005 0.000 1.155 12 P CA 0.000 63.103 63.100 0.005 0.000 0.800 12 P CB 0.000 31.703 31.700 0.004 0.000 0.726 13 V N 0.960 120.877 119.914 0.005 0.000 2.530 13 V HA 0.362 4.464 4.120 -0.030 0.000 0.282 13 V C 0.912 177.008 176.094 0.004 0.000 1.048 13 V CA 0.019 62.322 62.300 0.005 0.000 0.997 13 V CB 1.410 33.236 31.823 0.006 0.000 0.987 13 V HN 0.752 nan 8.190 nan 0.000 0.477 14 S N 4.602 120.304 115.700 0.003 0.000 2.416 14 S HA 0.351 4.803 4.470 -0.030 0.000 0.287 14 S C -0.364 174.237 174.600 0.001 0.000 1.139 14 S CA -0.570 57.632 58.200 0.002 0.000 1.058 14 S CB 0.565 63.767 63.200 0.002 0.000 0.967 14 S HN 0.499 nan 8.310 nan 0.000 0.495 15 V N 6.520 126.433 119.914 -0.001 0.000 2.247 15 V HA 0.247 4.349 4.120 -0.030 0.000 0.262 15 V C 0.213 176.304 176.094 -0.006 0.000 1.096 15 V CA -0.474 61.824 62.300 -0.003 0.000 0.895 15 V CB 0.589 32.408 31.823 -0.005 0.000 1.141 15 V HN 0.950 nan 8.190 nan 0.000 0.478 16 D N 2.107 122.505 120.400 -0.003 0.000 2.431 16 D HA 0.175 4.797 4.640 -0.030 0.000 0.213 16 D C 1.488 177.787 176.300 -0.002 0.000 1.130 16 D CA 0.344 54.342 54.000 -0.004 0.000 0.834 16 D CB 0.508 41.307 40.800 -0.001 0.000 0.985 16 D HN 0.582 nan 8.370 nan 0.000 0.504 17 G N 0.372 109.173 108.800 0.002 0.000 2.187 17 G HA2 -0.326 3.616 3.960 -0.030 0.000 0.261 17 G HA3 -0.326 3.616 3.960 -0.030 0.000 0.261 17 G C 0.773 175.685 174.900 0.020 0.000 1.000 17 G CA 0.831 45.936 45.100 0.010 0.000 0.718 17 G HN 0.401 nan 8.290 nan 0.000 0.519 18 E N -1.921 118.289 120.200 0.017 0.000 2.571 18 E HA 0.063 4.395 4.350 -0.030 0.000 0.204 18 E C 1.972 178.583 176.600 0.020 0.000 0.851 18 E CA 1.368 57.781 56.400 0.022 0.000 1.358 18 E CB 0.023 29.735 29.700 0.021 0.000 1.327 18 E HN 0.750 nan 8.360 nan 0.000 0.665 19 T N -0.675 113.888 114.554 0.015 0.000 3.200 19 T HA 0.311 4.643 4.350 -0.030 0.000 0.284 19 T C 0.397 175.106 174.700 0.014 0.000 1.009 19 T CA -0.392 61.718 62.100 0.015 0.000 0.907 19 T CB -0.106 68.770 68.868 0.013 0.000 1.120 19 T HN -0.140 nan 8.240 nan 0.000 0.534 20 L N 4.287 125.517 121.223 0.013 0.000 2.453 20 L HA 0.514 4.836 4.340 -0.030 0.000 0.272 20 L C 0.461 177.341 176.870 0.015 0.000 1.182 20 L CA 0.596 55.443 54.840 0.012 0.000 0.858 20 L CB 0.779 42.843 42.059 0.008 0.000 1.120 20 L HN 0.526 nan 8.230 nan 0.000 0.474 21 T N 0.979 115.542 114.554 0.016 0.000 2.950 21 T HA 0.418 4.750 4.350 -0.030 0.000 0.288 21 T C 1.132 175.844 174.700 0.020 0.000 1.035 21 T CA -0.557 61.555 62.100 0.020 0.000 1.028 21 T CB 1.229 70.109 68.868 0.020 0.000 1.109 21 T HN 0.272 nan 8.240 nan 0.000 0.514 22 V N 0.878 120.808 119.914 0.026 0.000 2.343 22 V HA -0.127 3.975 4.120 -0.030 0.000 0.247 22 V C 2.810 178.918 176.094 0.024 0.000 1.051 22 V CA 2.401 64.716 62.300 0.026 0.000 1.036 22 V CB -0.943 30.902 31.823 0.037 0.000 0.654 22 V HN 1.083 nan 8.190 nan 0.000 0.451 23 E N 0.325 120.540 120.200 0.025 0.000 2.077 23 E HA -0.238 4.094 4.350 -0.030 0.000 0.193 23 E C 2.208 178.818 176.600 0.017 0.000 0.989 23 E CA 1.456 57.870 56.400 0.023 0.000 0.800 23 E CB -0.239 29.475 29.700 0.022 0.000 0.746 23 E HN 0.569 nan 8.360 nan 0.000 0.452 24 A N 0.525 123.354 122.820 0.014 0.000 1.902 24 A HA -0.121 4.181 4.320 -0.030 0.000 0.217 24 A C 2.421 180.011 177.584 0.009 0.000 1.181 24 A CA 1.368 53.412 52.037 0.011 0.000 0.623 24 A CB -0.682 18.323 19.000 0.010 0.000 0.818 24 A HN 0.234 nan 8.150 nan 0.000 0.443 25 V N 0.150 120.069 119.914 0.008 0.000 2.332 25 V HA -0.303 3.798 4.120 -0.030 0.000 0.248 25 V C 2.649 178.746 176.094 0.004 0.000 1.055 25 V CA 2.367 64.669 62.300 0.004 0.000 1.038 25 V CB -0.802 31.021 31.823 0.001 0.000 0.651 25 V HN 0.541 nan 8.190 nan 0.000 0.450 26 R N -0.600 119.906 120.500 0.009 0.000 2.115 26 R HA -0.073 4.249 4.340 -0.030 0.000 0.230 26 R C 2.527 178.833 176.300 0.010 0.000 1.111 26 R CA 1.023 57.129 56.100 0.010 0.000 0.976 26 R CB -0.287 30.023 30.300 0.016 0.000 0.870 26 R HN 0.492 nan 8.270 nan 0.000 0.445 27 R N 0.164 120.670 120.500 0.010 0.000 2.075 27 R HA -0.074 4.248 4.340 -0.030 0.000 0.232 27 R C 2.298 178.603 176.300 0.008 0.000 1.126 27 R CA 1.305 57.411 56.100 0.009 0.000 0.963 27 R CB -0.442 29.863 30.300 0.009 0.000 0.858 27 R HN 0.078 nan 8.270 nan 0.000 0.435 28 V N 1.132 121.050 119.914 0.007 0.000 2.261 28 V HA -0.239 3.863 4.120 -0.030 0.000 0.246 28 V C 2.513 178.611 176.094 0.007 0.000 1.047 28 V CA 2.058 64.362 62.300 0.007 0.000 1.015 28 V CB -0.748 31.078 31.823 0.006 0.000 0.642 28 V HN 0.382 nan 8.190 nan 0.000 0.446 29 A N -0.397 122.426 122.820 0.005 0.000 1.855 29 A HA -0.194 4.107 4.320 -0.030 0.000 0.215 29 A C 2.181 179.770 177.584 0.007 0.000 1.191 29 A CA 1.861 53.900 52.037 0.004 0.000 0.613 29 A CB -0.385 18.613 19.000 -0.003 0.000 0.829 29 A HN 0.629 nan 8.150 nan 0.000 0.442 30 E N -1.114 119.091 120.200 0.008 0.000 2.102 30 E HA -0.071 4.261 4.350 -0.030 0.000 0.190 30 E C 1.820 178.425 176.600 0.008 0.000 0.971 30 E CA 0.857 57.262 56.400 0.009 0.000 0.821 30 E CB -0.039 29.668 29.700 0.011 0.000 0.777 30 E HN 0.740 nan 8.360 nan 0.000 0.460 31 E N 0.660 120.865 120.200 0.007 0.000 2.489 31 E HA -0.055 4.277 4.350 -0.030 0.000 0.193 31 E C -0.134 176.470 176.600 0.006 0.000 1.057 31 E CA -0.050 56.353 56.400 0.006 0.000 0.866 31 E CB 0.232 29.936 29.700 0.006 0.000 0.916 31 E HN -0.039 nan 8.360 nan 0.000 0.500 32 R N -0.997 119.508 120.500 0.007 0.000 3.641 32 R HA -0.188 4.134 4.340 -0.030 0.000 0.286 32 R C -0.340 175.965 176.300 0.008 0.000 1.153 32 R CA 0.799 56.904 56.100 0.008 0.000 0.775 32 R CB -2.921 27.383 30.300 0.007 0.000 1.215 32 R HN 0.278 nan 8.270 nan 0.000 0.474 33 A N 0.590 123.415 122.820 0.008 0.000 2.498 33 A HA 0.297 4.599 4.320 -0.030 0.000 0.239 33 A C 0.716 178.305 177.584 0.009 0.000 1.068 33 A CA 0.390 52.432 52.037 0.007 0.000 0.766 33 A CB 0.304 19.308 19.000 0.007 0.000 1.003 33 A HN 0.230 nan 8.150 nan 0.000 0.497 34 T N 1.432 115.991 114.554 0.008 0.000 2.926 34 T HA 0.372 4.704 4.350 -0.030 0.000 0.307 34 T C 0.180 174.886 174.700 0.009 0.000 1.059 34 T CA 0.006 62.112 62.100 0.010 0.000 1.122 34 T CB 0.555 69.428 68.868 0.008 0.000 0.972 34 T HN 0.439 nan 8.240 nan 0.000 0.545 35 V N 2.482 122.402 119.914 0.011 0.000 2.581 35 V HA 0.554 4.656 4.120 -0.030 0.000 0.303 35 V C -0.367 175.730 176.094 0.006 0.000 1.041 35 V CA -0.649 61.656 62.300 0.008 0.000 0.907 35 V CB 2.105 33.933 31.823 0.009 0.000 0.994 35 V HN 0.973 nan 8.190 nan 0.000 0.442 36 D N 2.256 122.657 120.400 0.003 0.000 2.936 36 D HA 0.470 5.092 4.640 -0.030 0.000 0.238 36 D C -1.225 175.073 176.300 -0.003 0.000 1.248 36 D CA -0.295 53.705 54.000 0.001 0.000 0.903 36 D CB 2.190 42.991 40.800 0.001 0.000 1.544 36 D HN 0.263 nan 8.370 nan 0.000 0.543 37 V N 5.970 125.880 119.914 -0.006 0.000 2.348 37 V HA 0.409 4.510 4.120 -0.030 0.000 0.270 37 V C -1.658 174.430 176.094 -0.009 0.000 1.037 37 V CA -1.248 61.046 62.300 -0.010 0.000 0.872 37 V CB 0.772 32.585 31.823 -0.016 0.000 1.002 37 V HN 0.557 nan 8.190 nan 0.000 0.464 38 P HA 0.058 nan 4.420 nan 0.000 0.268 38 P C 0.791 178.086 177.300 -0.008 0.000 1.208 38 P CA 0.051 63.147 63.100 -0.006 0.000 0.777 38 P CB 1.128 32.826 31.700 -0.004 0.000 0.875 39 A N 2.360 125.176 122.820 -0.006 0.000 1.948 39 A HA -0.241 4.061 4.320 -0.030 0.000 0.220 39 A C 2.250 179.829 177.584 -0.008 0.000 1.177 39 A CA 2.062 54.094 52.037 -0.007 0.000 0.636 39 A CB -1.269 17.729 19.000 -0.004 0.000 0.815 39 A HN 0.727 nan 8.150 nan 0.000 0.449 40 E N -0.278 119.917 120.200 -0.007 0.000 2.110 40 E HA -0.142 4.190 4.350 -0.030 0.000 0.193 40 E C 2.020 178.612 176.600 -0.014 0.000 0.988 40 E CA 1.330 57.725 56.400 -0.008 0.000 0.804 40 E CB -0.082 29.616 29.700 -0.004 0.000 0.745 40 E HN 0.567 nan 8.360 nan 0.000 0.458 41 S N 0.334 116.024 115.700 -0.017 0.000 2.387 41 S HA -0.055 4.397 4.470 -0.030 0.000 0.226 41 S C 1.826 176.408 174.600 -0.031 0.000 1.026 41 S CA 0.493 58.677 58.200 -0.026 0.000 0.972 41 S CB -0.026 63.160 63.200 -0.024 0.000 0.814 41 S HN 0.296 nan 8.310 nan 0.000 0.477 42 I N 2.107 122.662 120.570 -0.024 0.000 2.226 42 I HA -0.135 4.017 4.170 -0.030 0.000 0.245 42 I C 2.695 178.798 176.117 -0.023 0.000 1.100 42 I CA 1.179 62.464 61.300 -0.025 0.000 1.374 42 I CB -1.671 36.318 38.000 -0.019 0.000 1.057 42 I HN 0.220 nan 8.210 nan 0.000 0.413 43 A N 0.709 123.519 122.820 -0.017 0.000 1.902 43 A HA -0.258 4.044 4.320 -0.030 0.000 0.217 43 A C 2.460 180.035 177.584 -0.015 0.000 1.181 43 A CA 1.965 53.995 52.037 -0.012 0.000 0.623 43 A CB -0.598 18.398 19.000 -0.006 0.000 0.818 43 A HN 0.390 nan 8.150 nan 0.000 0.443 44 K N -0.401 119.986 120.400 -0.023 0.000 2.097 44 K HA -0.066 4.236 4.320 -0.030 0.000 0.206 44 K C 2.111 178.685 176.600 -0.044 0.000 1.049 44 K CA 1.159 57.427 56.287 -0.031 0.000 0.933 44 K CB -0.296 32.172 32.500 -0.053 0.000 0.717 44 K HN 0.379 nan 8.250 nan 0.000 0.442 45 A N 0.861 123.650 122.820 -0.052 0.000 1.873 45 A HA -0.204 4.098 4.320 -0.030 0.000 0.215 45 A C 2.087 179.639 177.584 -0.054 0.000 1.186 45 A CA 1.589 53.589 52.037 -0.063 0.000 0.616 45 A CB -0.708 18.256 19.000 -0.060 0.000 0.823 45 A HN 0.428 nan 8.150 nan 0.000 0.442 46 Q N 0.386 120.164 119.800 -0.037 0.000 2.061 46 Q HA -0.217 4.105 4.340 -0.030 0.000 0.204 46 Q C 2.019 178.003 176.000 -0.028 0.000 0.984 46 Q CA 2.550 58.336 55.803 -0.029 0.000 0.846 46 Q CB -0.361 28.366 28.738 -0.018 0.000 0.902 46 Q HN 0.670 nan 8.270 nan 0.000 0.421 47 K N -0.923 119.467 120.400 -0.017 0.000 2.057 47 K HA -0.092 4.210 4.320 -0.030 0.000 0.207 47 K C 2.149 178.734 176.600 -0.026 0.000 1.049 47 K CA 1.483 57.770 56.287 0.000 0.000 0.931 47 K CB -0.182 32.336 32.500 0.031 0.000 0.714 47 K HN 0.191 nan 8.250 nan 0.000 0.440 48 S N 0.653 116.326 115.700 -0.045 0.000 2.356 48 S HA -0.147 4.305 4.470 -0.030 0.000 0.223 48 S C 1.839 176.239 174.600 -0.333 0.000 1.032 48 S CA 1.377 59.467 58.200 -0.183 0.000 1.005 48 S CB -0.308 62.851 63.200 -0.069 0.000 0.867 48 S HN 0.300 nan 8.310 nan 0.000 0.449 49 R N 1.767 122.172 120.500 -0.157 0.000 2.083 49 R HA -0.063 4.259 4.340 -0.030 0.000 0.237 49 R C 2.094 178.376 176.300 -0.030 0.000 1.137 49 R CA 2.105 58.163 56.100 -0.069 0.000 0.951 49 R CB -0.814 29.467 30.300 -0.032 0.000 0.851 49 R HN 0.520 nan 8.270 nan 0.000 0.434 50 E N -0.312 119.860 120.200 -0.047 0.000 2.058 50 E HA -0.176 4.156 4.350 -0.030 0.000 0.194 50 E C 1.952 178.518 176.600 -0.058 0.000 0.997 50 E CA 1.911 58.293 56.400 -0.030 0.000 0.801 50 E CB -0.165 29.525 29.700 -0.018 0.000 0.746 50 E HN 0.447 nan 8.360 nan 0.000 0.450 51 I N 0.143 120.649 120.570 -0.107 0.000 2.252 51 I HA -0.215 3.937 4.170 -0.030 0.000 0.245 51 I C 2.235 178.240 176.117 -0.186 0.000 1.102 51 I CA 0.751 61.984 61.300 -0.110 0.000 1.385 51 I CB -0.328 37.641 38.000 -0.053 0.000 1.064 51 I HN 0.194 nan 8.210 nan 0.000 0.414 52 F N 2.202 121.846 119.950 -0.510 0.000 2.095 52 F HA -0.235 4.274 4.527 -0.030 0.000 0.298 52 F C 2.428 178.101 175.800 -0.211 0.000 1.104 52 F CA 1.798 59.549 58.000 -0.414 0.000 1.232 52 F CB -0.336 38.391 39.000 -0.456 0.000 0.987 52 F HN 0.053 nan 8.300 nan 0.000 0.475 53 E N -0.140 119.978 120.200 -0.137 0.000 2.097 53 E HA -0.214 4.118 4.350 -0.030 0.000 0.196 53 E C 2.494 178.958 176.600 -0.228 0.000 1.000 53 E CA 1.067 57.381 56.400 -0.143 0.000 0.804 53 E CB -0.849 28.882 29.700 0.053 0.000 0.740 53 E HN 0.590 nan 8.360 nan 0.000 0.454 54 G N 1.247 109.950 108.800 -0.161 0.000 2.450 54 G HA2 -0.239 3.703 3.960 -0.030 0.000 0.220 54 G HA3 -0.239 3.703 3.960 -0.030 0.000 0.220 54 G C 1.579 176.364 174.900 -0.191 0.000 1.130 54 G CA 0.679 45.702 45.100 -0.128 0.000 0.760 54 G HN 0.135 nan 8.290 nan 0.000 0.557 55 I N 1.034 121.431 120.570 -0.289 0.000 2.233 55 I HA -0.057 4.094 4.170 -0.030 0.000 0.243 55 I C 3.273 179.125 176.117 -0.442 0.000 1.093 55 I CA 0.862 61.980 61.300 -0.303 0.000 1.380 55 I CB -0.291 37.543 38.000 -0.278 0.000 1.067 55 I HN 0.216 nan 8.210 nan 0.000 0.413 56 A N 0.428 122.789 122.820 -0.764 0.000 1.933 56 A HA -0.252 4.050 4.320 -0.030 0.000 0.218 56 A C 2.154 179.350 177.584 -0.646 0.000 1.175 56 A CA 1.820 53.293 52.037 -0.940 0.000 0.628 56 A CB -0.555 17.445 19.000 -1.667 0.000 0.814 56 A HN 0.342 nan 8.150 nan 0.000 0.444 57 E N 0.147 120.099 120.200 -0.413 0.000 2.209 57 E HA -0.176 4.156 4.350 -0.030 0.000 0.196 57 E C 1.990 178.517 176.600 -0.122 0.000 0.993 57 E CA 1.281 57.588 56.400 -0.154 0.000 0.819 57 E CB -0.224 29.436 29.700 -0.068 0.000 0.745 57 E HN 0.738 nan 8.360 nan 0.000 0.477 58 Q N -0.548 119.157 119.800 -0.158 0.000 2.444 58 Q HA 0.035 4.357 4.340 -0.030 0.000 0.206 58 Q C 0.249 176.190 176.000 -0.099 0.000 0.948 58 Q CA 0.263 56.004 55.803 -0.104 0.000 0.946 58 Q CB 0.306 28.988 28.738 -0.094 0.000 1.027 58 Q HN 0.181 nan 8.270 nan 0.000 0.513 59 N N 0.410 119.026 118.700 -0.140 0.000 2.829 59 N HA -0.162 4.560 4.740 -0.030 0.000 0.250 59 N C -0.403 175.052 175.510 -0.092 0.000 1.090 59 N CA 0.629 53.615 53.050 -0.106 0.000 0.781 59 N CB -1.520 36.937 38.487 -0.051 0.000 1.124 59 N HN 0.494 nan 8.380 nan 0.000 0.559 60 I N -1.993 118.510 120.570 -0.112 0.000 2.764 60 I HA 0.563 4.715 4.170 -0.030 0.000 0.294 60 I C -1.933 174.146 176.117 -0.064 0.000 1.045 60 I CA -1.738 59.518 61.300 -0.074 0.000 1.340 60 I CB 0.657 38.619 38.000 -0.063 0.000 1.436 60 I HN -0.178 nan 8.210 nan 0.000 0.567 61 P HA 0.354 nan 4.420 nan 0.000 0.271 61 P C -1.013 176.313 177.300 0.044 0.000 1.233 61 P CA 0.489 63.585 63.100 -0.007 0.000 0.764 61 P CB 0.237 31.930 31.700 -0.012 0.000 0.825 62 I N 3.491 124.113 120.570 0.087 0.000 2.548 62 I HA 0.190 4.342 4.170 -0.030 0.000 0.287 62 I C -0.390 175.876 176.117 0.248 0.000 1.103 62 I CA -1.262 60.184 61.300 0.243 0.000 1.049 62 I CB 1.623 39.720 38.000 0.162 0.000 1.232 62 I HN 0.243 nan 8.210 nan 0.000 0.429 63 Y N 5.761 126.273 120.300 0.353 0.000 2.810 63 Y HA 0.218 4.749 4.550 -0.031 0.000 0.332 63 Y C 1.431 177.355 175.900 0.041 0.000 1.243 63 Y CA 1.383 59.572 58.100 0.149 0.000 1.537 63 Y CB 0.545 39.115 38.460 0.184 0.000 1.265 63 Y HN 0.861 nan 8.280 nan 0.000 0.572 64 G N 3.190 111.329 108.800 -1.103 0.000 2.205 64 G HA2 -0.304 3.638 3.960 -0.030 0.000 0.269 64 G HA3 -0.304 3.638 3.960 -0.030 0.000 0.269 64 G C 0.508 175.213 174.900 -0.325 0.000 0.977 64 G CA 0.785 45.291 45.100 -0.989 0.000 0.652 64 G HN 0.765 nan 8.290 nan 0.000 0.539 65 V N -0.435 119.377 119.914 -0.170 0.000 2.996 65 V HA 0.225 4.327 4.120 -0.030 0.000 0.235 65 V C 1.969 178.055 176.094 -0.013 0.000 1.205 65 V CA 2.186 64.503 62.300 0.029 0.000 1.225 65 V CB 0.627 32.524 31.823 0.122 0.000 0.995 65 V HN 0.828 nan 8.190 nan 0.000 0.484 66 T N -1.022 113.487 114.554 -0.075 0.000 3.296 66 T HA 0.390 4.722 4.350 -0.030 0.000 0.285 66 T C 0.144 174.785 174.700 -0.098 0.000 1.014 66 T CA 0.367 62.425 62.100 -0.068 0.000 0.920 66 T CB -0.020 68.805 68.868 -0.071 0.000 1.143 66 T HN 0.558 nan 8.240 nan 0.000 0.522 67 T N -2.398 112.039 114.554 -0.194 0.000 2.816 67 T HA 0.746 5.078 4.350 -0.030 0.000 0.299 67 T C 0.433 174.874 174.700 -0.431 0.000 1.230 67 T CA -0.371 61.599 62.100 -0.217 0.000 1.007 67 T CB 1.318 70.121 68.868 -0.109 0.000 1.289 67 T HN 0.283 nan 8.240 nan 0.000 0.508 68 G N -0.438 108.149 108.800 -0.354 0.000 2.653 68 G HA2 0.512 4.454 3.960 -0.030 0.000 0.265 68 G HA3 0.512 4.454 3.960 -0.030 0.000 0.265 68 G C -1.199 173.386 174.900 -0.524 0.000 1.237 68 G CA -0.675 44.174 45.100 -0.419 0.000 0.946 68 G HN 0.677 nan 8.290 nan 0.000 0.522 69 Y N -0.614 119.655 120.300 -0.051 0.000 2.419 69 Y HA 0.485 5.018 4.550 -0.029 0.000 0.328 69 Y C 1.317 177.310 175.900 0.155 0.000 1.162 69 Y CA 0.442 58.572 58.100 0.052 0.000 1.174 69 Y CB 1.552 39.981 38.460 -0.052 0.000 1.228 69 Y HN 1.106 nan 8.280 nan 0.000 0.473 70 G N 1.507 110.572 108.800 0.442 0.000 2.651 70 G HA2 -0.485 3.457 3.960 -0.030 0.000 0.315 70 G HA3 -0.485 3.457 3.960 -0.030 0.000 0.315 70 G C 1.160 176.142 174.900 0.137 0.000 1.258 70 G CA 1.023 46.249 45.100 0.210 0.000 1.002 70 G HN 0.717 nan 8.290 nan 0.000 0.551 71 E N 0.570 120.839 120.200 0.115 0.000 2.160 71 E HA 0.014 4.346 4.350 -0.030 0.000 0.195 71 E C 2.510 179.160 176.600 0.083 0.000 0.991 71 E CA 1.923 58.405 56.400 0.136 0.000 0.810 71 E CB -0.290 29.505 29.700 0.157 0.000 0.742 71 E HN 0.531 nan 8.360 nan 0.000 0.466 72 M N 0.379 119.921 119.600 -0.096 0.000 2.686 72 M HA 0.130 4.592 4.480 -0.030 0.000 0.216 72 M C 1.503 177.498 176.300 -0.508 0.000 1.221 72 M CA 0.081 55.034 55.300 -0.578 0.000 0.992 72 M CB -0.017 32.372 32.600 -0.352 0.000 1.739 72 M HN 0.165 nan 8.290 nan 0.000 0.461 73 I N 0.289 120.753 120.570 -0.178 0.000 2.756 73 I HA -0.267 3.885 4.170 -0.030 0.000 0.262 73 I C 1.924 178.013 176.117 -0.047 0.000 1.225 73 I CA 1.232 62.520 61.300 -0.019 0.000 1.472 73 I CB 0.060 38.147 38.000 0.144 0.000 1.094 73 I HN 0.444 nan 8.210 nan 0.000 0.454 74 Y N -0.826 119.499 120.300 0.042 0.000 2.571 74 Y HA 0.141 4.672 4.550 -0.030 0.000 0.294 74 Y C 0.954 176.862 175.900 0.013 0.000 1.141 74 Y CA -0.280 57.834 58.100 0.024 0.000 1.308 74 Y CB -0.761 37.712 38.460 0.021 0.000 1.002 74 Y HN -0.035 nan 8.280 nan 0.000 0.551 75 M N 2.797 122.245 119.600 -0.253 0.000 2.146 75 M HA 0.187 4.648 4.480 -0.030 0.000 0.352 75 M C -0.658 175.593 176.300 -0.082 0.000 1.343 75 M CA -0.301 54.925 55.300 -0.124 0.000 1.115 75 M CB 0.958 33.425 32.600 -0.222 0.000 1.657 75 M HN 0.240 nan 8.290 nan 0.000 0.471 76 Q N 3.150 122.936 119.800 -0.023 0.000 2.303 76 Q HA 0.515 4.837 4.340 -0.030 0.000 0.257 76 Q C -0.680 175.300 176.000 -0.033 0.000 0.941 76 Q CA -0.368 55.419 55.803 -0.027 0.000 0.931 76 Q CB 1.492 30.229 28.738 -0.002 0.000 1.215 76 Q HN 0.453 nan 8.270 nan 0.000 0.437 77 V N 2.227 122.111 119.914 -0.049 0.000 2.417 77 V HA 0.172 4.274 4.120 -0.030 0.000 0.291 77 V C 0.068 176.157 176.094 -0.009 0.000 1.024 77 V CA -0.969 61.311 62.300 -0.033 0.000 0.861 77 V CB 1.860 33.651 31.823 -0.054 0.000 0.985 77 V HN 0.677 nan 8.190 nan 0.000 0.436 78 D N 3.066 123.471 120.400 0.007 0.000 2.399 78 D HA 0.101 4.723 4.640 -0.030 0.000 0.241 78 D C 1.443 177.780 176.300 0.063 0.000 1.133 78 D CA -0.152 53.862 54.000 0.022 0.000 0.890 78 D CB 0.980 41.791 40.800 0.019 0.000 1.201 78 D HN 0.694 nan 8.370 nan 0.000 0.432 79 K N 0.672 121.126 120.400 0.091 0.000 2.442 79 K HA -0.145 4.157 4.320 -0.030 0.000 0.198 79 K C 1.323 178.025 176.600 0.170 0.000 1.044 79 K CA 1.253 57.676 56.287 0.228 0.000 0.948 79 K CB -0.217 32.425 32.500 0.235 0.000 0.762 79 K HN 0.320 nan 8.250 nan 0.000 0.472 80 S N 0.540 116.287 115.700 0.078 0.000 2.515 80 S HA 0.036 4.488 4.470 -0.030 0.000 0.231 80 S C 1.233 175.837 174.600 0.007 0.000 0.987 80 S CA 0.202 58.420 58.200 0.031 0.000 0.936 80 S CB 0.087 63.298 63.200 0.018 0.000 0.766 80 S HN 0.203 nan 8.310 nan 0.000 0.528 81 K N 1.385 121.800 120.400 0.024 0.000 2.397 81 K HA 0.261 4.563 4.320 -0.030 0.000 0.202 81 K C 1.460 178.059 176.600 -0.002 0.000 1.022 81 K CA 0.089 56.380 56.287 0.007 0.000 1.141 81 K CB -0.021 32.489 32.500 0.016 0.000 0.857 81 K HN 0.708 nan 8.250 nan 0.000 0.514 82 E N 1.169 121.353 120.200 -0.027 0.000 2.110 82 E HA -0.262 4.069 4.350 -0.030 0.000 0.225 82 E C 1.421 177.949 176.600 -0.121 0.000 1.063 82 E CA 2.491 58.812 56.400 -0.132 0.000 0.906 82 E CB -0.030 29.288 29.700 -0.635 0.000 0.795 82 E HN -0.024 nan 8.360 nan 0.000 0.479 83 V N 1.008 120.830 119.914 -0.153 0.000 2.407 83 V HA -0.218 3.884 4.120 -0.030 0.000 0.248 83 V C 2.498 178.561 176.094 -0.051 0.000 1.055 83 V CA 2.235 64.471 62.300 -0.106 0.000 1.049 83 V CB -0.697 31.062 31.823 -0.108 0.000 0.662 83 V HN 0.385 nan 8.190 nan 0.000 0.455 84 E N -0.104 120.075 120.200 -0.035 0.000 2.072 84 E HA -0.231 4.101 4.350 -0.030 0.000 0.191 84 E C 2.199 178.808 176.600 0.015 0.000 0.985 84 E CA 1.234 57.626 56.400 -0.012 0.000 0.801 84 E CB -0.080 29.615 29.700 -0.008 0.000 0.750 84 E HN 0.438 nan 8.360 nan 0.000 0.452 85 L N 1.398 122.642 121.223 0.036 0.000 1.990 85 L HA -0.268 4.054 4.340 -0.030 0.000 0.213 85 L C 2.304 179.250 176.870 0.127 0.000 1.072 85 L CA 1.876 56.775 54.840 0.097 0.000 0.755 85 L CB -0.511 41.604 42.059 0.093 0.000 0.889 85 L HN 0.136 nan 8.230 nan 0.000 0.432 86 Q N -0.999 118.847 119.800 0.077 0.000 2.124 86 Q HA -0.152 4.170 4.340 -0.030 0.000 0.202 86 Q C 2.148 178.120 176.000 -0.046 0.000 0.977 86 Q CA 2.135 57.950 55.803 0.021 0.000 0.850 86 Q CB -0.819 27.924 28.738 0.008 0.000 0.901 86 Q HN 0.580 nan 8.270 nan 0.000 0.429 87 T N 1.718 116.253 114.554 -0.032 0.000 2.812 87 T HA -0.050 4.282 4.350 -0.030 0.000 0.264 87 T C 1.579 176.253 174.700 -0.042 0.000 1.042 87 T CA 1.026 63.100 62.100 -0.045 0.000 1.140 87 T CB -0.118 68.728 68.868 -0.037 0.000 0.870 87 T HN 0.223 nan 8.240 nan 0.000 0.445 88 N N 1.364 120.054 118.700 -0.017 0.000 2.166 88 N HA -0.030 4.692 4.740 -0.030 0.000 0.186 88 N C 1.751 177.248 175.510 -0.022 0.000 1.019 88 N CA 0.582 53.631 53.050 -0.001 0.000 0.856 88 N CB -0.585 37.923 38.487 0.035 0.000 0.993 88 N HN 0.251 nan 8.380 nan 0.000 0.426 89 L N 0.854 122.013 121.223 -0.108 0.000 1.976 89 L HA -0.104 4.218 4.340 -0.030 0.000 0.209 89 L C 1.998 178.738 176.870 -0.218 0.000 1.071 89 L CA 1.440 56.087 54.840 -0.322 0.000 0.746 89 L CB -0.749 40.860 42.059 -0.751 0.000 0.890 89 L HN -0.101 nan 8.230 nan 0.000 0.432 90 V N 0.120 119.923 119.914 -0.185 0.000 2.332 90 V HA -0.308 3.794 4.120 -0.030 0.000 0.248 90 V C 2.752 178.802 176.094 -0.074 0.000 1.055 90 V CA 2.291 64.515 62.300 -0.126 0.000 1.038 90 V CB -0.781 30.976 31.823 -0.109 0.000 0.651 90 V HN 0.468 nan 8.190 nan 0.000 0.450 91 R N 0.790 121.257 120.500 -0.055 0.000 2.061 91 R HA -0.120 4.202 4.340 -0.030 0.000 0.230 91 R C 2.639 178.929 176.300 -0.018 0.000 1.140 91 R CA 1.739 57.811 56.100 -0.046 0.000 0.940 91 R CB -0.749 29.531 30.300 -0.033 0.000 0.839 91 R HN 0.666 nan 8.270 nan 0.000 0.429 92 S N 0.223 115.940 115.700 0.030 0.000 2.440 92 S HA -0.159 4.293 4.470 -0.030 0.000 0.238 92 S C 1.269 175.867 174.600 -0.003 0.000 1.010 92 S CA 1.330 59.552 58.200 0.038 0.000 0.972 92 S CB -0.298 62.954 63.200 0.086 0.000 0.774 92 S HN 0.403 nan 8.310 nan 0.000 0.501 93 H N 0.594 119.608 119.070 -0.093 0.000 2.586 93 H HA 0.440 4.978 4.556 -0.031 0.000 0.273 93 H C 0.228 175.515 175.328 -0.068 0.000 0.997 93 H CA -0.052 55.950 56.048 -0.078 0.000 1.177 93 H CB 0.257 29.955 29.762 -0.107 0.000 1.471 93 H HN 0.287 nan 8.280 nan 0.000 0.538 94 S N 1.122 116.790 115.700 -0.053 0.000 3.919 94 S HA 0.377 4.829 4.470 -0.030 0.000 0.245 94 S C 0.766 175.334 174.600 -0.053 0.000 1.344 94 S CA 0.108 58.143 58.200 -0.276 0.000 0.896 94 S CB -0.192 62.695 63.200 -0.522 0.000 1.557 94 S HN 0.482 nan 8.310 nan 0.000 0.468 95 A N 1.861 124.765 122.820 0.140 0.000 2.616 95 A HA 0.581 4.883 4.320 -0.030 0.000 0.294 95 A C 0.927 178.616 177.584 0.174 0.000 1.091 95 A CA -0.439 51.677 52.037 0.132 0.000 0.971 95 A CB 0.023 19.032 19.000 0.014 0.000 1.222 95 A HN 0.634 nan 8.150 nan 0.000 0.521 96 G N -0.005 108.998 108.800 0.338 0.000 2.544 96 G HA2 0.496 4.438 3.960 -0.030 0.000 0.242 96 G HA3 0.496 4.438 3.960 -0.030 0.000 0.242 96 G C 0.151 175.028 174.900 -0.037 0.000 1.247 96 G CA 0.575 45.703 45.100 0.047 0.000 0.840 96 G HN 1.216 nan 8.290 nan 0.000 0.578 97 V N -0.806 119.065 119.914 -0.071 0.000 3.156 97 V HA 1.029 5.130 4.120 -0.030 0.000 0.310 97 V C 0.828 176.852 176.094 -0.116 0.000 1.234 97 V CA 0.125 62.377 62.300 -0.079 0.000 1.065 97 V CB 1.001 32.796 31.823 -0.047 0.000 1.088 97 V HN 2.510 nan 8.190 nan 0.000 0.451 98 G N 0.894 109.630 108.800 -0.108 0.000 2.615 98 G HA2 -0.025 3.917 3.960 -0.030 0.000 0.218 98 G HA3 -0.025 3.917 3.960 -0.030 0.000 0.218 98 G C -2.838 171.969 174.900 -0.155 0.000 1.339 98 G CA -0.202 44.823 45.100 -0.125 0.000 0.884 98 G HN 1.047 nan 8.290 nan 0.000 0.559 99 P HA 0.538 nan 4.420 nan 0.000 0.272 99 P C 0.093 177.244 177.300 -0.248 0.000 1.230 99 P CA -0.465 62.526 63.100 -0.182 0.000 0.788 99 P CB 0.377 31.974 31.700 -0.171 0.000 0.949 100 L N 1.209 122.320 121.223 -0.186 0.000 2.357 100 L HA 0.381 4.703 4.340 -0.030 0.000 0.273 100 L C 0.497 177.287 176.870 -0.133 0.000 1.080 100 L CA -0.721 54.026 54.840 -0.155 0.000 0.803 100 L CB 0.159 42.176 42.059 -0.070 0.000 1.174 100 L HN 0.280 nan 8.230 nan 0.000 0.443 101 F N 1.087 121.015 119.950 -0.036 0.000 2.496 101 F HA 0.231 4.757 4.527 -0.002 0.000 0.344 101 F C 1.102 176.895 175.800 -0.011 0.000 1.155 101 F CA -0.026 57.963 58.000 -0.019 0.000 1.302 101 F CB 0.655 39.648 39.000 -0.012 0.000 1.159 101 F HN 0.550 nan 8.300 nan 0.000 0.595 102 A N 2.013 124.962 122.820 0.215 0.000 2.327 102 A HA 0.092 4.394 4.320 -0.030 0.000 0.255 102 A C 1.542 179.188 177.584 0.103 0.000 1.099 102 A CA -0.160 51.945 52.037 0.114 0.000 0.801 102 A CB 0.106 19.159 19.000 0.087 0.000 1.062 102 A HN 0.940 nan 8.150 nan 0.000 0.496 103 E N -0.125 120.113 120.200 0.063 0.000 2.058 103 E HA -0.280 4.052 4.350 -0.030 0.000 0.194 103 E C 1.226 177.848 176.600 0.036 0.000 0.997 103 E CA 1.859 58.287 56.400 0.047 0.000 0.801 103 E CB -0.149 29.569 29.700 0.031 0.000 0.746 103 E HN 0.812 nan 8.360 nan 0.000 0.450 104 D N 0.213 120.633 120.400 0.033 0.000 2.178 104 D HA -0.204 4.418 4.640 -0.030 0.000 0.202 104 D C 1.509 177.811 176.300 0.003 0.000 0.974 104 D CA 1.207 55.218 54.000 0.019 0.000 0.841 104 D CB -0.552 40.260 40.800 0.021 0.000 0.953 104 D HN 0.396 nan 8.370 nan 0.000 0.478 105 E N 0.740 120.949 120.200 0.014 0.000 2.072 105 E HA -0.020 4.312 4.350 -0.030 0.000 0.191 105 E C 2.299 178.816 176.600 -0.138 0.000 0.985 105 E CA 1.088 57.454 56.400 -0.057 0.000 0.801 105 E CB -0.165 29.547 29.700 0.021 0.000 0.750 105 E HN 0.384 nan 8.360 nan 0.000 0.452 106 A N 1.610 124.400 122.820 -0.049 0.000 1.902 106 A HA -0.195 4.107 4.320 -0.030 0.000 0.217 106 A C 2.079 179.643 177.584 -0.033 0.000 1.181 106 A CA 1.305 53.317 52.037 -0.042 0.000 0.623 106 A CB -0.384 18.646 19.000 0.049 0.000 0.818 106 A HN 0.062 nan 8.150 nan 0.000 0.443 107 R N -0.582 119.912 120.500 -0.011 0.000 2.081 107 R HA -0.092 4.229 4.340 -0.030 0.000 0.235 107 R C 2.489 178.776 176.300 -0.021 0.000 1.131 107 R CA 1.212 57.312 56.100 -0.000 0.000 0.960 107 R CB -0.471 29.834 30.300 0.008 0.000 0.856 107 R HN 0.520 nan 8.270 nan 0.000 0.436 108 A N 1.214 124.008 122.820 -0.043 0.000 1.902 108 A HA -0.151 4.151 4.320 -0.030 0.000 0.217 108 A C 2.143 179.686 177.584 -0.069 0.000 1.181 108 A CA 1.255 53.261 52.037 -0.051 0.000 0.623 108 A CB -0.480 18.483 19.000 -0.063 0.000 0.818 108 A HN 0.188 nan 8.150 nan 0.000 0.443 109 I N -0.435 120.070 120.570 -0.109 0.000 2.226 109 I HA -0.216 3.936 4.170 -0.030 0.000 0.245 109 I C 2.339 178.422 176.117 -0.056 0.000 1.100 109 I CA 1.169 62.402 61.300 -0.113 0.000 1.374 109 I CB -0.348 37.545 38.000 -0.179 0.000 1.057 109 I HN 0.158 nan 8.210 nan 0.000 0.413 110 V N 1.090 120.984 119.914 -0.032 0.000 2.295 110 V HA -0.299 3.803 4.120 -0.030 0.000 0.246 110 V C 2.742 178.829 176.094 -0.013 0.000 1.049 110 V CA 2.002 64.297 62.300 -0.008 0.000 1.024 110 V CB -1.100 30.738 31.823 0.026 0.000 0.648 110 V HN 0.500 nan 8.190 nan 0.000 0.447 111 A N 0.045 122.858 122.820 -0.012 0.000 1.940 111 A HA -0.140 4.162 4.320 -0.030 0.000 0.219 111 A C 2.424 179.999 177.584 -0.015 0.000 1.176 111 A CA 2.187 54.217 52.037 -0.011 0.000 0.631 111 A CB -0.771 18.224 19.000 -0.008 0.000 0.814 111 A HN 0.582 nan 8.150 nan 0.000 0.446 112 A N -0.549 122.257 122.820 -0.022 0.000 1.902 112 A HA -0.129 4.173 4.320 -0.030 0.000 0.217 112 A C 2.195 179.769 177.584 -0.017 0.000 1.181 112 A CA 2.013 54.037 52.037 -0.021 0.000 0.623 112 A CB -0.407 18.575 19.000 -0.030 0.000 0.818 112 A HN 0.426 nan 8.150 nan 0.000 0.443 113 R N -0.640 119.848 120.500 -0.020 0.000 2.075 113 R HA -0.066 4.256 4.340 -0.030 0.000 0.232 113 R C 1.932 178.218 176.300 -0.023 0.000 1.126 113 R CA 1.432 57.521 56.100 -0.019 0.000 0.963 113 R CB -0.791 29.495 30.300 -0.022 0.000 0.858 113 R HN 0.465 nan 8.270 nan 0.000 0.435 114 L N 0.948 122.157 121.223 -0.025 0.000 2.046 114 L HA -0.138 4.184 4.340 -0.030 0.000 0.208 114 L C 1.793 178.650 176.870 -0.022 0.000 1.077 114 L CA 2.006 56.829 54.840 -0.028 0.000 0.747 114 L CB -0.962 41.082 42.059 -0.024 0.000 0.896 114 L HN 0.353 nan 8.230 nan 0.000 0.432 115 N N -1.496 117.195 118.700 -0.014 0.000 2.166 115 N HA -0.189 4.532 4.740 -0.030 0.000 0.186 115 N C 1.511 177.018 175.510 -0.005 0.000 1.019 115 N CA 1.794 54.839 53.050 -0.008 0.000 0.856 115 N CB 0.100 38.584 38.487 -0.004 0.000 0.993 115 N HN 0.471 nan 8.380 nan 0.000 0.426 116 T N 1.882 116.433 114.554 -0.004 0.000 2.684 116 T HA -0.087 4.245 4.350 -0.030 0.000 0.267 116 T C 2.009 176.708 174.700 -0.002 0.000 1.036 116 T CA 0.942 63.044 62.100 0.004 0.000 1.148 116 T CB -0.198 68.673 68.868 0.006 0.000 0.863 116 T HN 0.208 nan 8.240 nan 0.000 0.436 117 L N 0.723 121.935 121.223 -0.018 0.000 2.156 117 L HA 0.064 4.386 4.340 -0.030 0.000 0.208 117 L C 2.956 179.801 176.870 -0.042 0.000 1.095 117 L CA 0.840 55.659 54.840 -0.035 0.000 0.770 117 L CB -0.663 41.369 42.059 -0.046 0.000 0.914 117 L HN 0.223 nan 8.230 nan 0.000 0.439 118 A N 0.015 122.816 122.820 -0.033 0.000 2.121 118 A HA -0.195 4.107 4.320 -0.030 0.000 0.218 118 A C 2.349 179.910 177.584 -0.039 0.000 1.154 118 A CA 1.227 53.243 52.037 -0.035 0.000 0.679 118 A CB -0.379 18.607 19.000 -0.024 0.000 0.795 118 A HN 0.308 nan 8.150 nan 0.000 0.458 119 K N -1.141 119.243 120.400 -0.026 0.000 2.283 119 K HA -0.000 4.302 4.320 -0.030 0.000 0.202 119 K C 1.232 177.756 176.600 -0.127 0.000 1.048 119 K CA 1.004 57.281 56.287 -0.018 0.000 0.948 119 K CB -0.259 32.279 32.500 0.063 0.000 0.742 119 K HN 0.693 nan 8.250 nan 0.000 0.458 120 G N -0.046 108.662 108.800 -0.153 0.000 2.176 120 G HA2 -0.241 3.701 3.960 -0.030 0.000 0.232 120 G HA3 -0.241 3.701 3.960 -0.030 0.000 0.232 120 G C 0.219 174.910 174.900 -0.349 0.000 0.986 120 G CA 0.532 45.480 45.100 -0.252 0.000 0.643 120 G HN 0.558 nan 8.290 nan 0.000 0.522 121 H N 0.142 119.151 119.070 -0.103 0.000 2.549 121 H HA 0.424 4.962 4.556 -0.031 0.000 0.279 121 H C 2.154 177.374 175.328 -0.179 0.000 1.018 121 H CA 0.845 56.773 56.048 -0.199 0.000 1.175 121 H CB 0.772 30.291 29.762 -0.405 0.000 1.485 121 H HN 0.341 nan 8.280 nan 0.000 0.543 122 S N 0.312 115.969 115.700 -0.073 0.000 2.548 122 S HA 0.230 4.682 4.470 -0.030 0.000 0.215 122 S C 1.433 175.882 174.600 -0.252 0.000 0.976 122 S CA 0.458 58.584 58.200 -0.123 0.000 0.908 122 S CB 0.324 63.474 63.200 -0.083 0.000 0.781 122 S HN 0.601 nan 8.310 nan 0.000 0.519 123 A N 0.955 123.618 122.820 -0.261 0.000 2.822 123 A HA -0.146 4.155 4.320 -0.030 0.000 0.287 123 A C 0.342 177.761 177.584 -0.276 0.000 1.479 123 A CA 0.581 52.387 52.037 -0.385 0.000 0.779 123 A CB -2.201 16.260 19.000 -0.898 0.000 1.022 123 A HN 0.450 nan 8.150 nan 0.000 0.532 124 V N -0.101 119.714 119.914 -0.165 0.000 2.716 124 V HA 0.561 4.663 4.120 -0.030 0.000 0.304 124 V C 1.074 177.127 176.094 -0.068 0.000 1.053 124 V CA -0.874 61.365 62.300 -0.100 0.000 0.984 124 V CB 1.298 33.068 31.823 -0.088 0.000 1.021 124 V HN 0.650 nan 8.190 nan 0.000 0.467 125 R N 4.820 125.296 120.500 -0.041 0.000 2.590 125 R HA 0.177 4.499 4.340 -0.030 0.000 0.274 125 R C -1.766 174.507 176.300 -0.044 0.000 1.061 125 R CA -1.029 55.051 56.100 -0.033 0.000 1.081 125 R CB 0.288 30.573 30.300 -0.025 0.000 0.984 125 R HN 0.543 nan 8.270 nan 0.000 0.448 126 P HA -0.194 nan 4.420 nan 0.000 0.218 126 P C 1.069 178.343 177.300 -0.043 0.000 1.146 126 P CA 0.914 63.989 63.100 -0.041 0.000 0.813 126 P CB 0.085 31.766 31.700 -0.032 0.000 0.778 127 I N -0.919 119.626 120.570 -0.042 0.000 2.335 127 I HA -0.226 3.926 4.170 -0.030 0.000 0.251 127 I C 1.708 177.785 176.117 -0.067 0.000 1.129 127 I CA 1.599 62.871 61.300 -0.047 0.000 1.402 127 I CB -0.593 37.381 38.000 -0.043 0.000 1.069 127 I HN -0.165 nan 8.210 nan 0.000 0.424 128 I N 0.146 120.673 120.570 -0.072 0.000 2.226 128 I HA -0.264 3.888 4.170 -0.030 0.000 0.245 128 I C 2.469 178.528 176.117 -0.097 0.000 1.100 128 I CA 1.503 62.747 61.300 -0.093 0.000 1.374 128 I CB -1.312 36.639 38.000 -0.083 0.000 1.057 128 I HN 0.281 nan 8.210 nan 0.000 0.413 129 L N 0.236 121.415 121.223 -0.074 0.000 2.017 129 L HA -0.191 4.130 4.340 -0.030 0.000 0.208 129 L C 2.467 179.301 176.870 -0.061 0.000 1.073 129 L CA 1.386 56.188 54.840 -0.064 0.000 0.745 129 L CB -0.737 41.292 42.059 -0.050 0.000 0.894 129 L HN 0.235 nan 8.230 nan 0.000 0.432 130 E N -0.142 120.025 120.200 -0.055 0.000 2.110 130 E HA -0.251 4.081 4.350 -0.030 0.000 0.193 130 E C 2.265 178.832 176.600 -0.056 0.000 0.988 130 E CA 0.963 57.337 56.400 -0.043 0.000 0.804 130 E CB -0.052 29.628 29.700 -0.033 0.000 0.745 130 E HN 0.182 nan 8.360 nan 0.000 0.458 131 R N 1.058 121.497 120.500 -0.102 0.000 2.073 131 R HA -0.037 4.285 4.340 -0.030 0.000 0.229 131 R C 2.081 178.221 176.300 -0.267 0.000 1.120 131 R CA 1.112 57.106 56.100 -0.177 0.000 0.967 131 R CB -0.563 29.589 30.300 -0.247 0.000 0.862 131 R HN 0.158 nan 8.270 nan 0.000 0.436 132 L N -0.203 120.882 121.223 -0.231 0.000 2.046 132 L HA -0.123 4.199 4.340 -0.030 0.000 0.208 132 L C 2.425 179.266 176.870 -0.049 0.000 1.077 132 L CA 1.493 56.224 54.840 -0.182 0.000 0.747 132 L CB -0.647 41.341 42.059 -0.118 0.000 0.896 132 L HN 0.291 nan 8.230 nan 0.000 0.432 133 A N -0.762 122.038 122.820 -0.034 0.000 1.933 133 A HA -0.282 4.020 4.320 -0.030 0.000 0.218 133 A C 2.265 179.876 177.584 0.045 0.000 1.175 133 A CA 1.819 53.860 52.037 0.006 0.000 0.628 133 A CB -0.533 18.464 19.000 -0.005 0.000 0.814 133 A HN 0.498 nan 8.150 nan 0.000 0.444 134 Q N -1.900 117.934 119.800 0.058 0.000 2.079 134 Q HA -0.191 4.130 4.340 -0.030 0.000 0.200 134 Q C 1.800 177.936 176.000 0.226 0.000 0.974 134 Q CA 1.516 57.390 55.803 0.119 0.000 0.840 134 Q CB -0.220 28.592 28.738 0.123 0.000 0.898 134 Q HN 0.716 nan 8.270 nan 0.000 0.430 135 Y N 0.581 120.879 120.300 -0.004 0.000 2.224 135 Y HA -0.206 4.326 4.550 -0.031 0.000 0.289 135 Y C 2.043 177.943 175.900 0.000 0.000 1.146 135 Y CA 0.875 58.974 58.100 -0.001 0.000 1.182 135 Y CB -0.425 38.035 38.460 0.000 0.000 0.983 135 Y HN 0.142 nan 8.280 nan 0.000 0.524 136 L N -0.525 120.798 121.223 0.167 0.000 2.027 136 L HA -0.226 4.096 4.340 -0.030 0.000 0.206 136 L C 1.881 178.785 176.870 0.056 0.000 1.074 136 L CA 1.591 56.483 54.840 0.086 0.000 0.745 136 L CB -0.582 41.512 42.059 0.058 0.000 0.898 136 L HN 0.238 nan 8.230 nan 0.000 0.433 137 N N -0.551 118.183 118.700 0.057 0.000 2.309 137 N HA -0.153 4.569 4.740 -0.030 0.000 0.182 137 N C 1.262 176.789 175.510 0.029 0.000 1.018 137 N CA 0.692 53.764 53.050 0.037 0.000 0.876 137 N CB 0.138 38.646 38.487 0.034 0.000 0.972 137 N HN 0.375 nan 8.380 nan 0.000 0.434 138 E N -0.325 119.896 120.200 0.036 0.000 2.474 138 E HA 0.097 4.429 4.350 -0.030 0.000 0.195 138 E C 0.584 177.176 176.600 -0.014 0.000 1.039 138 E CA -0.134 56.272 56.400 0.010 0.000 0.881 138 E CB 0.590 30.296 29.700 0.009 0.000 0.970 138 E HN 0.379 nan 8.360 nan 0.000 0.486 139 G N 2.059 110.856 108.800 -0.005 0.000 2.147 139 G HA2 -0.278 3.664 3.960 -0.030 0.000 0.244 139 G HA3 -0.278 3.664 3.960 -0.030 0.000 0.244 139 G C 0.161 175.028 174.900 -0.055 0.000 1.005 139 G CA -0.123 44.967 45.100 -0.018 0.000 0.713 139 G HN 0.236 nan 8.290 nan 0.000 0.515 140 I N 2.166 122.672 120.570 -0.107 0.000 2.308 140 I HA 0.255 4.406 4.170 -0.030 0.000 0.293 140 I C 0.308 176.351 176.117 -0.124 0.000 1.078 140 I CA 0.031 61.190 61.300 -0.236 0.000 1.292 140 I CB 0.911 38.517 38.000 -0.656 0.000 1.423 140 I HN 0.018 nan 8.210 nan 0.000 0.493 141 T N 7.636 122.157 114.554 -0.056 0.000 2.756 141 T HA 0.322 4.654 4.350 -0.030 0.000 0.290 141 T C -2.379 172.348 174.700 0.045 0.000 0.985 141 T CA -1.484 60.626 62.100 0.017 0.000 0.955 141 T CB 1.228 70.111 68.868 0.024 0.000 0.930 141 T HN 0.220 nan 8.240 nan 0.000 0.451 142 P HA 0.262 nan 4.420 nan 0.000 0.269 142 P C -0.916 176.460 177.300 0.128 0.000 1.209 142 P CA -0.399 62.779 63.100 0.130 0.000 0.776 142 P CB 0.414 32.210 31.700 0.160 0.000 0.876 143 A N 4.231 127.143 122.820 0.153 0.000 2.316 143 A HA 0.423 4.725 4.320 -0.030 0.000 0.311 143 A C -0.072 177.582 177.584 0.116 0.000 1.339 143 A CA -0.387 51.725 52.037 0.124 0.000 0.960 143 A CB -0.740 18.339 19.000 0.132 0.000 1.152 143 A HN 0.454 nan 8.150 nan 0.000 0.547 144 I N 4.616 125.254 120.570 0.113 0.000 2.354 144 I HA 0.275 4.427 4.170 -0.030 0.000 0.286 144 I C -2.459 173.672 176.117 0.023 0.000 1.007 144 I CA -2.234 59.134 61.300 0.113 0.000 1.167 144 I CB 2.015 40.185 38.000 0.283 0.000 1.320 144 I HN 0.364 nan 8.210 nan 0.000 0.458 145 P HA 0.107 nan 4.420 nan 0.000 0.271 145 P C 0.197 177.347 177.300 -0.249 0.000 1.216 145 P CA -0.100 62.837 63.100 -0.271 0.000 0.776 145 P CB 0.776 32.265 31.700 -0.352 0.000 0.881 146 E N 1.342 121.252 120.200 -0.482 0.000 2.285 146 E HA 0.001 4.333 4.350 -0.030 0.000 0.194 146 E C 0.411 176.884 176.600 -0.213 0.000 0.997 146 E CA 0.615 56.609 56.400 -0.677 0.000 0.845 146 E CB 0.044 29.207 29.700 -0.896 0.000 0.782 146 E HN 0.449 nan 8.360 nan 0.000 0.491 147 I N -0.528 119.952 120.570 -0.150 0.000 2.441 147 I HA 0.344 4.496 4.170 -0.030 0.000 0.295 147 I C 0.846 176.947 176.117 -0.027 0.000 0.994 147 I CA -0.232 61.028 61.300 -0.067 0.000 1.144 147 I CB 1.994 39.950 38.000 -0.074 0.000 1.314 147 I HN 0.085 nan 8.210 nan 0.000 0.445 148 G N 3.323 112.125 108.800 0.003 0.000 3.511 148 G HA2 -0.180 3.762 3.960 -0.030 0.000 0.218 148 G HA3 -0.180 3.762 3.960 -0.030 0.000 0.218 148 G C 0.284 175.201 174.900 0.028 0.000 1.001 148 G CA -0.009 45.102 45.100 0.019 0.000 0.877 148 G HN 0.577 nan 8.290 nan 0.000 0.450 149 S N 0.602 116.326 115.700 0.041 0.000 2.549 149 S HA 0.506 4.958 4.470 -0.030 0.000 0.283 149 S C 1.288 175.896 174.600 0.012 0.000 1.320 149 S CA -0.200 58.021 58.200 0.034 0.000 1.058 149 S CB 0.650 63.880 63.200 0.051 0.000 0.882 149 S HN 0.356 nan 8.310 nan 0.000 0.498 150 L N 4.336 125.556 121.223 -0.006 0.000 2.693 150 L HA 0.346 4.668 4.340 -0.030 0.000 0.235 150 L C 1.398 178.236 176.870 -0.053 0.000 1.127 150 L CA 0.182 55.008 54.840 -0.023 0.000 0.914 150 L CB -0.908 41.136 42.059 -0.026 0.000 1.193 150 L HN 1.060 nan 8.230 nan 0.000 0.502 156 L N 0.562 121.801 121.223 0.025 0.000 1.971 156 L HA -0.217 4.105 4.340 -0.030 0.000 0.215 156 L C 2.712 179.636 176.870 0.089 0.000 1.072 156 L CA 2.245 57.109 54.840 0.040 0.000 0.758 156 L CB -0.487 41.614 42.059 0.069 0.000 0.889 156 L HN 0.210 nan 8.230 nan 0.000 0.433 157 A N 0.359 123.246 122.820 0.112 0.000 1.859 157 A HA -0.160 4.142 4.320 -0.030 0.000 0.217 157 A C 0.082 177.817 177.584 0.252 0.000 1.198 157 A CA 2.190 54.329 52.037 0.170 0.000 0.629 157 A CB -2.015 17.064 19.000 0.132 0.000 0.830 157 A HN 0.317 nan 8.150 nan 0.000 0.446 158 P HA -0.144 nan 4.420 nan 0.000 0.215 158 P C 1.422 178.830 177.300 0.179 0.000 1.157 158 P CA 1.040 64.253 63.100 0.187 0.000 0.868 158 P CB -0.200 31.603 31.700 0.172 0.000 0.788 159 L N -1.280 120.011 121.223 0.113 0.000 2.201 159 L HA -0.088 4.234 4.340 -0.030 0.000 0.212 159 L C 2.303 179.213 176.870 0.067 0.000 1.105 159 L CA 1.201 56.083 54.840 0.070 0.000 0.775 159 L CB -0.915 41.160 42.059 0.027 0.000 0.913 159 L HN -0.008 nan 8.230 nan 0.000 0.440 160 S N -1.209 114.539 115.700 0.080 0.000 2.402 160 S HA -0.168 4.284 4.470 -0.030 0.000 0.229 160 S C 1.777 176.375 174.600 -0.003 0.000 1.021 160 S CA 0.970 59.179 58.200 0.015 0.000 0.974 160 S CB -0.250 62.956 63.200 0.010 0.000 0.800 160 S HN 0.497 nan 8.310 nan 0.000 0.484 161 H N 0.146 119.250 119.070 0.057 0.000 2.428 161 H HA 0.086 4.629 4.556 -0.023 0.000 0.296 161 H C 1.997 177.373 175.328 0.078 0.000 1.062 161 H CA 1.142 57.238 56.048 0.080 0.000 1.350 161 H CB -0.102 29.722 29.762 0.103 0.000 1.403 161 H HN 0.139 nan 8.280 nan 0.000 0.533 162 V N 0.323 120.341 119.914 0.172 0.000 2.323 162 V HA -0.214 3.888 4.120 -0.030 0.000 0.244 162 V C 2.541 178.677 176.094 0.069 0.000 1.041 162 V CA 1.557 63.930 62.300 0.120 0.000 1.025 162 V CB -0.913 30.958 31.823 0.080 0.000 0.656 162 V HN 0.562 nan 8.190 nan 0.000 0.451 163 A N -0.438 122.397 122.820 0.025 0.000 1.940 163 A HA -0.235 4.067 4.320 -0.030 0.000 0.219 163 A C 2.488 180.063 177.584 -0.015 0.000 1.176 163 A CA 2.289 54.314 52.037 -0.020 0.000 0.631 163 A CB -0.771 18.201 19.000 -0.047 0.000 0.814 163 A HN 0.492 nan 8.150 nan 0.000 0.446 164 S N -0.342 115.352 115.700 -0.010 0.000 2.374 164 S HA -0.187 4.265 4.470 -0.030 0.000 0.227 164 S C 2.210 176.822 174.600 0.020 0.000 1.037 164 S CA 2.079 60.267 58.200 -0.020 0.000 1.024 164 S CB -0.711 62.460 63.200 -0.048 0.000 0.861 164 S HN 0.926 nan 8.310 nan 0.000 0.456 165 T N 0.495 115.099 114.554 0.083 0.000 2.977 165 T HA 0.086 4.417 4.350 -0.030 0.000 0.271 165 T C 1.562 176.396 174.700 0.224 0.000 1.105 165 T CA 0.706 62.904 62.100 0.162 0.000 1.116 165 T CB -0.450 68.574 68.868 0.260 0.000 0.878 165 T HN 0.299 nan 8.240 nan 0.000 0.509 166 L N 0.714 121.985 121.223 0.080 0.000 2.240 166 L HA 0.304 4.626 4.340 -0.030 0.000 0.211 166 L C 2.207 179.076 176.870 -0.002 0.000 1.106 166 L CA 0.869 55.689 54.840 -0.034 0.000 0.793 166 L CB -0.308 41.664 42.059 -0.146 0.000 0.927 166 L HN 0.466 nan 8.230 nan 0.000 0.446 167 I N -3.408 117.160 120.570 -0.002 0.000 3.884 167 I HA 0.403 4.555 4.170 -0.030 0.000 0.330 167 I C 1.042 177.154 176.117 -0.008 0.000 1.451 167 I CA 0.244 61.535 61.300 -0.015 0.000 1.165 167 I CB -0.241 37.738 38.000 -0.035 0.000 1.097 167 I HN 0.183 nan 8.210 nan 0.000 0.404 168 G N 1.198 110.009 108.800 0.019 0.000 2.160 168 G HA2 -0.263 3.679 3.960 -0.030 0.000 0.251 168 G HA3 -0.263 3.679 3.960 -0.030 0.000 0.251 168 G C -0.141 174.732 174.900 -0.044 0.000 1.008 168 G CA 0.468 45.567 45.100 -0.001 0.000 0.724 168 G HN 0.668 nan 8.290 nan 0.000 0.514 169 E N -1.314 118.857 120.200 -0.049 0.000 2.334 169 E HA 0.659 4.991 4.350 -0.030 0.000 0.256 169 E C 0.983 177.512 176.600 -0.118 0.000 0.958 169 E CA -0.349 55.992 56.400 -0.099 0.000 0.821 169 E CB 1.487 31.139 29.700 -0.081 0.000 1.269 169 E HN 1.330 nan 8.360 nan 0.000 0.413 170 G N -0.399 108.287 108.800 -0.189 0.000 2.562 170 G HA2 -0.267 3.674 3.960 -0.030 0.000 0.250 170 G HA3 -0.267 3.674 3.960 -0.030 0.000 0.250 170 G C -1.252 173.434 174.900 -0.358 0.000 1.269 170 G CA -0.047 44.974 45.100 -0.130 0.000 0.919 170 G HN 0.373 nan 8.290 nan 0.000 0.574 171 Y N -1.337 119.013 120.300 0.083 0.000 2.581 171 Y HA 0.614 5.149 4.550 -0.025 0.000 0.345 171 Y C 0.539 176.473 175.900 0.057 0.000 1.036 171 Y CA -0.389 57.747 58.100 0.061 0.000 1.042 171 Y CB 2.214 40.711 38.460 0.061 0.000 1.289 171 Y HN 1.058 nan 8.280 nan 0.000 0.471 172 V N 0.323 120.349 119.914 0.187 0.000 2.769 172 V HA 0.669 4.771 4.120 -0.030 0.000 0.312 172 V C -1.055 175.092 176.094 0.089 0.000 1.061 172 V CA -1.134 61.224 62.300 0.096 0.000 0.931 172 V CB 1.827 33.652 31.823 0.004 0.000 1.010 172 V HN 0.639 nan 8.190 nan 0.000 0.433 173 L N 4.308 125.568 121.223 0.062 0.000 2.319 173 L HA 0.588 4.910 4.340 -0.030 0.000 0.280 173 L C 0.246 177.131 176.870 0.024 0.000 1.099 173 L CA 0.478 55.345 54.840 0.045 0.000 0.828 173 L CB 0.258 42.345 42.059 0.046 0.000 1.150 173 L HN 0.817 nan 8.230 nan 0.000 0.442 174 R N 4.514 125.027 120.500 0.021 0.000 2.518 174 R HA 0.270 4.592 4.340 -0.030 0.000 0.296 174 R C -1.004 175.301 176.300 0.008 0.000 1.080 174 R CA -0.681 55.425 56.100 0.010 0.000 0.922 174 R CB 1.112 31.418 30.300 0.010 0.000 1.184 174 R HN 0.688 nan 8.270 nan 0.000 0.445 175 D N 2.011 122.414 120.400 0.005 0.000 2.772 175 D HA -0.178 4.444 4.640 -0.030 0.000 0.233 175 D C 0.847 177.148 176.300 0.002 0.000 1.143 175 D CA 1.857 55.858 54.000 0.003 0.000 0.700 175 D CB -0.776 40.025 40.800 0.001 0.000 1.076 175 D HN 1.108 nan 8.370 nan 0.000 0.430 176 G N -0.322 108.481 108.800 0.005 0.000 2.184 176 G HA2 -0.377 3.565 3.960 -0.030 0.000 0.264 176 G HA3 -0.377 3.565 3.960 -0.030 0.000 0.264 176 G C 0.339 175.234 174.900 -0.008 0.000 0.975 176 G CA 0.715 45.815 45.100 0.000 0.000 0.642 176 G HN 0.520 nan 8.290 nan 0.000 0.536 177 R N 0.761 121.259 120.500 -0.004 0.000 2.637 177 R HA 0.499 4.821 4.340 -0.030 0.000 0.291 177 R C -2.603 173.699 176.300 0.003 0.000 0.963 177 R CA -1.943 54.151 56.100 -0.010 0.000 0.901 177 R CB 2.341 32.638 30.300 -0.006 0.000 1.160 177 R HN 0.097 nan 8.270 nan 0.000 0.457 178 P HA 0.122 nan 4.420 nan 0.000 0.282 178 P C -0.762 176.612 177.300 0.124 0.000 1.262 178 P CA -0.196 62.914 63.100 0.018 0.000 0.773 178 P CB 1.287 32.883 31.700 -0.174 0.000 0.879 179 V N 3.530 123.571 119.914 0.212 0.000 2.540 179 V HA 0.206 4.308 4.120 -0.030 0.000 0.302 179 V C 0.625 176.850 176.094 0.218 0.000 1.035 179 V CA -0.924 61.497 62.300 0.201 0.000 0.873 179 V CB 1.626 33.500 31.823 0.084 0.000 0.992 179 V HN 0.560 nan 8.190 nan 0.000 0.428 180 E N 2.124 122.410 120.200 0.143 0.000 2.729 180 E HA -0.079 4.253 4.350 -0.030 0.000 0.246 180 E C 0.977 177.514 176.600 -0.106 0.000 0.984 180 E CA 0.296 56.623 56.400 -0.122 0.000 0.951 180 E CB 0.666 30.313 29.700 -0.089 0.000 0.914 180 E HN 0.815 nan 8.360 nan 0.000 0.509 181 T N 3.730 118.190 114.554 -0.157 0.000 2.720 181 T HA -0.259 4.072 4.350 -0.030 0.000 0.268 181 T C 1.722 176.379 174.700 -0.071 0.000 1.037 181 T CA 1.319 63.368 62.100 -0.085 0.000 1.144 181 T CB -0.132 68.698 68.868 -0.064 0.000 0.864 181 T HN 0.644 nan 8.240 nan 0.000 0.444 182 A N 1.432 124.200 122.820 -0.086 0.000 1.884 182 A HA -0.296 4.006 4.320 -0.030 0.000 0.219 182 A C 2.294 179.852 177.584 -0.044 0.000 1.197 182 A CA 2.353 54.354 52.037 -0.059 0.000 0.637 182 A CB -0.978 17.983 19.000 -0.066 0.000 0.827 182 A HN 0.614 nan 8.150 nan 0.000 0.450 183 Q N -0.426 119.347 119.800 -0.045 0.000 2.084 183 Q HA -0.140 4.182 4.340 -0.030 0.000 0.202 183 Q C 1.960 177.941 176.000 -0.032 0.000 0.978 183 Q CA 2.103 57.888 55.803 -0.031 0.000 0.844 183 Q CB -0.250 28.476 28.738 -0.021 0.000 0.898 183 Q HN 0.421 nan 8.270 nan 0.000 0.426 184 V N 1.125 121.015 119.914 -0.040 0.000 2.343 184 V HA -0.275 3.827 4.120 -0.030 0.000 0.247 184 V C 2.330 178.388 176.094 -0.060 0.000 1.051 184 V CA 1.533 63.802 62.300 -0.052 0.000 1.036 184 V CB -0.497 31.284 31.823 -0.071 0.000 0.654 184 V HN 0.398 nan 8.190 nan 0.000 0.451 185 L N -0.069 121.122 121.223 -0.053 0.000 2.072 185 L HA -0.080 4.242 4.340 -0.030 0.000 0.205 185 L C 2.758 179.615 176.870 -0.021 0.000 1.079 185 L CA 1.356 56.174 54.840 -0.035 0.000 0.752 185 L CB -0.818 41.237 42.059 -0.006 0.000 0.906 185 L HN 0.348 nan 8.230 nan 0.000 0.436 186 A N 0.100 122.908 122.820 -0.021 0.000 1.908 186 A HA -0.230 4.072 4.320 -0.030 0.000 0.218 186 A C 2.150 179.724 177.584 -0.016 0.000 1.181 186 A CA 1.728 53.755 52.037 -0.016 0.000 0.627 186 A CB -0.411 18.579 19.000 -0.017 0.000 0.818 186 A HN 0.437 nan 8.150 nan 0.000 0.445 187 E N -0.422 119.766 120.200 -0.021 0.000 2.007 187 E HA -0.157 4.175 4.350 -0.030 0.000 0.194 187 E C 2.026 178.614 176.600 -0.020 0.000 0.999 187 E CA 1.102 57.490 56.400 -0.020 0.000 0.811 187 E CB -0.225 29.461 29.700 -0.022 0.000 0.762 187 E HN 0.492 nan 8.360 nan 0.000 0.450 188 R N 0.263 120.746 120.500 -0.028 0.000 2.377 188 R HA -0.003 4.319 4.340 -0.030 0.000 0.207 188 R C 0.621 176.912 176.300 -0.014 0.000 1.075 188 R CA 0.556 56.640 56.100 -0.027 0.000 1.035 188 R CB -0.327 29.945 30.300 -0.046 0.000 0.857 188 R HN 0.256 nan 8.270 nan 0.000 0.475 189 G N 2.046 110.840 108.800 -0.010 0.000 2.392 189 G HA2 -0.252 3.690 3.960 -0.030 0.000 0.290 189 G HA3 -0.252 3.690 3.960 -0.030 0.000 0.290 189 G C -0.236 174.668 174.900 0.006 0.000 1.032 189 G CA -0.106 44.993 45.100 -0.003 0.000 1.269 189 G HN 0.305 nan 8.290 nan 0.000 0.511 190 I N -0.436 120.140 120.570 0.011 0.000 2.656 190 I HA 0.360 4.512 4.170 -0.030 0.000 0.292 190 I C -0.068 176.066 176.117 0.028 0.000 1.144 190 I CA -0.860 60.458 61.300 0.030 0.000 1.038 190 I CB 2.370 40.404 38.000 0.058 0.000 1.244 190 I HN 0.317 nan 8.210 nan 0.000 0.420 191 E N 7.103 127.319 120.200 0.026 0.000 2.146 191 E HA 0.428 4.760 4.350 -0.030 0.000 0.282 191 E C -2.355 174.258 176.600 0.022 0.000 0.989 191 E CA -1.711 54.699 56.400 0.016 0.000 0.799 191 E CB 1.249 30.951 29.700 0.005 0.000 1.088 191 E HN 0.240 nan 8.360 nan 0.000 0.397 192 P HA -0.059 nan 4.420 nan 0.000 0.267 192 P C -0.659 176.639 177.300 -0.004 0.000 1.201 192 P CA 0.300 63.412 63.100 0.019 0.000 0.775 192 P CB 0.494 32.198 31.700 0.006 0.000 0.854 193 L N 0.765 121.978 121.223 -0.017 0.000 2.448 193 L HA 0.425 4.747 4.340 -0.030 0.000 0.258 193 L C 0.810 177.655 176.870 -0.041 0.000 1.104 193 L CA -0.544 54.275 54.840 -0.036 0.000 0.800 193 L CB 0.568 42.593 42.059 -0.056 0.000 1.241 193 L HN 0.389 nan 8.230 nan 0.000 0.472 194 E N 0.661 120.831 120.200 -0.049 0.000 2.199 194 E HA 0.400 4.732 4.350 -0.030 0.000 0.269 194 E C -1.432 175.129 176.600 -0.064 0.000 0.899 194 E CA -0.713 55.653 56.400 -0.056 0.000 0.772 194 E CB 1.602 31.267 29.700 -0.059 0.000 1.155 194 E HN 0.401 nan 8.360 nan 0.000 0.408 195 L N 5.280 126.463 121.223 -0.065 0.000 2.325 195 L HA 0.332 4.654 4.340 -0.030 0.000 0.284 195 L C 0.640 177.462 176.870 -0.080 0.000 1.089 195 L CA -0.590 54.212 54.840 -0.064 0.000 0.836 195 L CB 0.128 42.153 42.059 -0.057 0.000 1.184 195 L HN 0.393 nan 8.230 nan 0.000 0.444 196 R N 2.057 122.511 120.500 -0.076 0.000 2.527 196 R HA 0.381 4.703 4.340 -0.030 0.000 0.243 196 R C -0.347 175.942 176.300 -0.018 0.000 1.206 196 R CA -1.103 54.920 56.100 -0.129 0.000 1.134 196 R CB 0.168 30.406 30.300 -0.103 0.000 1.347 196 R HN 0.155 nan 8.270 nan 0.000 0.580 197 F N 2.043 122.029 119.950 0.060 0.000 2.500 197 F HA -0.188 4.321 4.527 -0.031 0.000 0.409 197 F C 1.806 177.697 175.800 0.151 0.000 0.982 197 F CA 1.158 59.233 58.000 0.126 0.000 1.163 197 F CB -0.121 38.993 39.000 0.190 0.000 0.942 197 F HN 0.597 nan 8.300 nan 0.000 0.535 198 K N 0.836 121.429 120.400 0.321 0.000 3.572 198 K HA -0.325 3.977 4.320 -0.030 0.000 0.306 198 K C 1.283 177.904 176.600 0.034 0.000 1.286 198 K CA 1.837 58.209 56.287 0.142 0.000 1.010 198 K CB -0.820 31.704 32.500 0.040 0.000 1.268 198 K HN 0.820 nan 8.250 nan 0.000 0.438 199 E N -0.807 119.413 120.200 0.034 0.000 2.150 199 E HA -0.101 4.231 4.350 -0.030 0.000 0.193 199 E C 1.942 178.516 176.600 -0.043 0.000 0.985 199 E CA 1.016 57.403 56.400 -0.021 0.000 0.814 199 E CB -0.108 29.577 29.700 -0.025 0.000 0.752 199 E HN 0.583 nan 8.360 nan 0.000 0.466 200 G N 1.664 110.439 108.800 -0.043 0.000 2.404 200 G HA2 -0.229 3.713 3.960 -0.030 0.000 0.215 200 G HA3 -0.229 3.713 3.960 -0.030 0.000 0.215 200 G C 1.571 176.398 174.900 -0.121 0.000 1.174 200 G CA 0.385 45.431 45.100 -0.089 0.000 0.780 200 G HN 0.133 nan 8.290 nan 0.000 0.537 201 L N 1.486 122.647 121.223 -0.103 0.000 2.017 201 L HA 0.159 4.481 4.340 -0.030 0.000 0.208 201 L C 3.061 179.897 176.870 -0.056 0.000 1.073 201 L CA 2.204 56.979 54.840 -0.107 0.000 0.745 201 L CB -0.783 41.271 42.059 -0.009 0.000 0.894 201 L HN 0.232 nan 8.230 nan 0.000 0.432 202 A N -0.644 122.153 122.820 -0.039 0.000 1.940 202 A HA -0.192 4.109 4.320 -0.030 0.000 0.219 202 A C 2.287 179.851 177.584 -0.034 0.000 1.176 202 A CA 2.044 54.061 52.037 -0.033 0.000 0.631 202 A CB -0.926 18.038 19.000 -0.060 0.000 0.814 202 A HN 0.523 nan 8.150 nan 0.000 0.446 203 L N -0.649 120.544 121.223 -0.051 0.000 2.217 203 L HA -0.068 4.254 4.340 -0.030 0.000 0.211 203 L C 2.292 179.138 176.870 -0.039 0.000 1.107 203 L CA 1.451 56.262 54.840 -0.049 0.000 0.783 203 L CB -0.233 41.789 42.059 -0.062 0.000 0.919 203 L HN 0.721 nan 8.230 nan 0.000 0.442 204 I N -5.229 115.309 120.570 -0.054 0.000 4.181 204 I HA 0.157 4.308 4.170 -0.030 0.000 0.331 204 I C 0.808 176.904 176.117 -0.035 0.000 1.312 204 I CA -0.018 61.252 61.300 -0.049 0.000 1.146 204 I CB 0.101 38.047 38.000 -0.090 0.000 1.074 204 I HN -0.012 nan 8.210 nan 0.000 0.402 205 N N 2.423 121.113 118.700 -0.018 0.000 3.303 205 N HA 0.467 5.189 4.740 -0.030 0.000 0.304 205 N C -0.214 175.366 175.510 0.116 0.000 1.302 205 N CA 0.210 53.276 53.050 0.026 0.000 1.213 205 N CB 0.169 38.693 38.487 0.061 0.000 1.481 205 N HN 0.643 nan 8.380 nan 0.000 0.546 206 G N -1.578 107.276 108.800 0.090 0.000 2.682 206 G HA2 0.234 4.176 3.960 -0.030 0.000 0.303 206 G HA3 0.234 4.176 3.960 -0.030 0.000 0.303 206 G C 0.105 175.051 174.900 0.076 0.000 1.341 206 G CA -0.366 44.800 45.100 0.110 0.000 0.784 206 G HN 0.167 nan 8.290 nan 0.000 0.497 207 T N -2.157 112.431 114.554 0.058 0.000 3.145 207 T HA 0.204 4.536 4.350 -0.030 0.000 0.255 207 T C 1.776 176.477 174.700 0.002 0.000 1.039 207 T CA 1.005 63.122 62.100 0.028 0.000 0.928 207 T CB 0.237 69.118 68.868 0.022 0.000 1.029 207 T HN 0.253 nan 8.240 nan 0.000 0.554 208 S N 1.325 117.024 115.700 -0.001 0.000 2.419 208 S HA -0.015 4.437 4.470 -0.030 0.000 0.235 208 S C 2.255 176.822 174.600 -0.055 0.000 1.019 208 S CA 1.254 59.440 58.200 -0.024 0.000 0.982 208 S CB -0.767 62.420 63.200 -0.021 0.000 0.789 208 S HN 0.788 nan 8.310 nan 0.000 0.490 209 G N 2.625 111.395 108.800 -0.050 0.000 2.434 209 G HA2 -0.210 3.732 3.960 -0.030 0.000 0.214 209 G HA3 -0.210 3.732 3.960 -0.030 0.000 0.214 209 G C 1.463 176.302 174.900 -0.101 0.000 1.202 209 G CA 1.045 46.087 45.100 -0.097 0.000 0.788 209 G HN 0.632 nan 8.290 nan 0.000 0.539 210 M N -0.299 119.276 119.600 -0.041 0.000 2.229 210 M HA 0.084 4.546 4.480 -0.030 0.000 0.264 210 M C 2.221 178.500 176.300 -0.035 0.000 1.063 210 M CA 2.024 57.309 55.300 -0.026 0.000 1.114 210 M CB -0.842 31.752 32.600 -0.010 0.000 1.387 210 M HN 0.006 nan 8.290 nan 0.000 0.420 211 T N 1.045 115.577 114.554 -0.036 0.000 2.857 211 T HA 0.058 4.389 4.350 -0.030 0.000 0.266 211 T C 1.968 176.644 174.700 -0.040 0.000 1.048 211 T CA 1.462 63.543 62.100 -0.031 0.000 1.139 211 T CB -0.592 68.262 68.868 -0.023 0.000 0.874 211 T HN 0.700 nan 8.240 nan 0.000 0.455 212 G N 1.434 110.195 108.800 -0.065 0.000 2.404 212 G HA2 -0.101 3.841 3.960 -0.030 0.000 0.215 212 G HA3 -0.101 3.841 3.960 -0.030 0.000 0.215 212 G C 1.508 176.356 174.900 -0.087 0.000 1.174 212 G CA 0.577 45.630 45.100 -0.078 0.000 0.780 212 G HN 0.406 nan 8.290 nan 0.000 0.537 213 L N 1.511 122.660 121.223 -0.123 0.000 2.093 213 L HA 0.220 4.542 4.340 -0.030 0.000 0.208 213 L C 2.753 179.607 176.870 -0.027 0.000 1.085 213 L CA 2.186 56.967 54.840 -0.098 0.000 0.755 213 L CB -0.872 41.115 42.059 -0.120 0.000 0.904 213 L HN 0.159 nan 8.230 nan 0.000 0.435 214 G N -1.579 107.209 108.800 -0.020 0.000 2.432 214 G HA2 -0.233 3.709 3.960 -0.030 0.000 0.219 214 G HA3 -0.233 3.709 3.960 -0.030 0.000 0.219 214 G C 1.572 176.477 174.900 0.010 0.000 1.135 214 G CA 0.877 45.979 45.100 0.003 0.000 0.767 214 G HN 0.473 nan 8.290 nan 0.000 0.550 215 S N 0.407 116.107 115.700 -0.001 0.000 2.356 215 S HA -0.013 4.438 4.470 -0.030 0.000 0.223 215 S C 2.316 176.926 174.600 0.017 0.000 1.032 215 S CA 0.843 59.049 58.200 0.009 0.000 1.005 215 S CB -0.242 62.958 63.200 0.000 0.000 0.867 215 S HN 0.338 nan 8.310 nan 0.000 0.449 216 L N 1.019 122.247 121.223 0.008 0.000 1.994 216 L HA -0.102 4.220 4.340 -0.030 0.000 0.208 216 L C 2.396 179.285 176.870 0.031 0.000 1.071 216 L CA 1.036 55.886 54.840 0.017 0.000 0.745 216 L CB -1.008 41.057 42.059 0.010 0.000 0.892 216 L HN 0.195 nan 8.230 nan 0.000 0.431 217 V N -0.356 119.578 119.914 0.034 0.000 2.287 217 V HA -0.268 3.834 4.120 -0.030 0.000 0.248 217 V C 2.475 178.599 176.094 0.050 0.000 1.053 217 V CA 1.744 64.071 62.300 0.045 0.000 1.027 217 V CB -0.381 31.471 31.823 0.048 0.000 0.646 217 V HN 0.205 nan 8.190 nan 0.000 0.447 218 V N 0.778 120.723 119.914 0.051 0.000 2.343 218 V HA -0.170 3.931 4.120 -0.030 0.000 0.247 218 V C 2.627 178.761 176.094 0.068 0.000 1.051 218 V CA 2.158 64.496 62.300 0.064 0.000 1.036 218 V CB -1.406 30.458 31.823 0.068 0.000 0.654 218 V HN 0.619 nan 8.190 nan 0.000 0.451 219 G N -0.231 108.604 108.800 0.059 0.000 2.418 219 G HA2 -0.237 3.704 3.960 -0.030 0.000 0.217 219 G HA3 -0.237 3.704 3.960 -0.030 0.000 0.217 219 G C 1.763 176.698 174.900 0.059 0.000 1.158 219 G CA 0.679 45.815 45.100 0.059 0.000 0.771 219 G HN 0.437 nan 8.290 nan 0.000 0.545 220 R N 0.404 120.936 120.500 0.052 0.000 2.092 220 R HA 0.120 4.442 4.340 -0.030 0.000 0.231 220 R C 2.994 179.329 176.300 0.058 0.000 1.119 220 R CA 0.934 57.066 56.100 0.052 0.000 0.970 220 R CB -0.290 30.039 30.300 0.047 0.000 0.864 220 R HN 0.345 nan 8.270 nan 0.000 0.440 221 A N 1.200 124.055 122.820 0.059 0.000 1.933 221 A HA -0.120 4.182 4.320 -0.030 0.000 0.218 221 A C 2.122 179.741 177.584 0.058 0.000 1.175 221 A CA 1.111 53.182 52.037 0.057 0.000 0.628 221 A CB -0.450 18.584 19.000 0.057 0.000 0.814 221 A HN 0.175 nan 8.150 nan 0.000 0.444 222 L N -0.886 120.379 121.223 0.070 0.000 2.093 222 L HA -0.184 4.138 4.340 -0.030 0.000 0.208 222 L C 2.547 179.464 176.870 0.078 0.000 1.085 222 L CA 1.530 56.419 54.840 0.081 0.000 0.755 222 L CB -0.487 41.642 42.059 0.118 0.000 0.904 222 L HN 0.458 nan 8.230 nan 0.000 0.435 223 E N -0.503 119.741 120.200 0.075 0.000 2.150 223 E HA -0.270 4.062 4.350 -0.030 0.000 0.193 223 E C 2.131 178.780 176.600 0.082 0.000 0.985 223 E CA 0.822 57.267 56.400 0.076 0.000 0.814 223 E CB 0.032 29.772 29.700 0.067 0.000 0.752 223 E HN 0.455 nan 8.360 nan 0.000 0.466 224 Q N 0.312 120.157 119.800 0.075 0.000 2.123 224 Q HA -0.118 4.204 4.340 -0.030 0.000 0.199 224 Q C 2.096 178.142 176.000 0.075 0.000 0.966 224 Q CA 1.151 57.002 55.803 0.079 0.000 0.845 224 Q CB -0.037 28.741 28.738 0.068 0.000 0.907 224 Q HN 0.234 nan 8.270 nan 0.000 0.439 225 A N 0.573 123.428 122.820 0.059 0.000 1.902 225 A HA -0.248 4.054 4.320 -0.030 0.000 0.217 225 A C 1.917 179.534 177.584 0.055 0.000 1.181 225 A CA 1.627 53.690 52.037 0.044 0.000 0.623 225 A CB -0.496 18.517 19.000 0.021 0.000 0.818 225 A HN 0.510 nan 8.150 nan 0.000 0.443 226 Q N -0.771 119.072 119.800 0.071 0.000 2.079 226 Q HA -0.179 4.143 4.340 -0.030 0.000 0.200 226 Q C 2.196 178.255 176.000 0.099 0.000 0.974 226 Q CA 1.526 57.375 55.803 0.078 0.000 0.840 226 Q CB -0.168 28.621 28.738 0.084 0.000 0.898 226 Q HN 0.762 nan 8.270 nan 0.000 0.430 227 Q N -0.310 119.569 119.800 0.132 0.000 2.297 227 Q HA -0.032 4.290 4.340 -0.030 0.000 0.204 227 Q C 1.895 178.009 176.000 0.190 0.000 0.962 227 Q CA 0.861 56.790 55.803 0.210 0.000 0.879 227 Q CB 0.047 28.921 28.738 0.227 0.000 0.947 227 Q HN 0.326 nan 8.270 nan 0.000 0.462 228 A N 1.300 124.184 122.820 0.107 0.000 1.898 228 A HA -0.168 4.133 4.320 -0.030 0.000 0.214 228 A C 1.769 179.349 177.584 -0.007 0.000 1.183 228 A CA 1.034 53.100 52.037 0.049 0.000 0.622 228 A CB -0.166 18.860 19.000 0.043 0.000 0.824 228 A HN 0.271 nan 8.150 nan 0.000 0.444 229 E N -0.142 120.064 120.200 0.009 0.000 2.106 229 E HA -0.128 4.203 4.350 -0.030 0.000 0.192 229 E C 1.807 178.376 176.600 -0.051 0.000 0.984 229 E CA 1.124 57.512 56.400 -0.020 0.000 0.806 229 E CB -0.274 29.423 29.700 -0.004 0.000 0.750 229 E HN 0.682 nan 8.360 nan 0.000 0.458 230 I N 0.423 120.987 120.570 -0.012 0.000 2.179 230 I HA -0.239 3.913 4.170 -0.030 0.000 0.242 230 I C 2.514 178.531 176.117 -0.167 0.000 1.088 230 I CA 0.789 62.079 61.300 -0.018 0.000 1.357 230 I CB -0.187 37.890 38.000 0.127 0.000 1.051 230 I HN 0.043 nan 8.210 nan 0.000 0.409 231 V N 0.202 119.901 119.914 -0.358 0.000 2.548 231 V HA -0.226 3.876 4.120 -0.030 0.000 0.249 231 V C 2.383 178.267 176.094 -0.350 0.000 1.055 231 V CA 2.412 64.305 62.300 -0.677 0.000 1.065 231 V CB -0.306 30.764 31.823 -1.256 0.000 0.681 231 V HN 0.464 nan 8.190 nan 0.000 0.462 232 T N 0.622 115.047 114.554 -0.216 0.000 2.746 232 T HA -0.121 4.211 4.350 -0.030 0.000 0.267 232 T C 2.002 176.622 174.700 -0.132 0.000 1.039 232 T CA 1.633 63.655 62.100 -0.131 0.000 1.142 232 T CB -0.484 68.344 68.868 -0.067 0.000 0.866 232 T HN 0.655 nan 8.240 nan 0.000 0.444 233 A N 1.358 124.084 122.820 -0.157 0.000 1.902 233 A HA -0.017 4.284 4.320 -0.030 0.000 0.217 233 A C 2.242 179.743 177.584 -0.137 0.000 1.181 233 A CA 1.345 53.279 52.037 -0.173 0.000 0.623 233 A CB -0.827 18.072 19.000 -0.168 0.000 0.818 233 A HN 0.411 nan 8.150 nan 0.000 0.443 234 L N -0.727 120.414 121.223 -0.137 0.000 2.017 234 L HA -0.127 4.195 4.340 -0.030 0.000 0.208 234 L C 2.253 179.065 176.870 -0.097 0.000 1.073 234 L CA 2.146 56.921 54.840 -0.107 0.000 0.745 234 L CB -0.710 41.279 42.059 -0.117 0.000 0.894 234 L HN 0.336 nan 8.230 nan 0.000 0.432 235 L N -0.402 120.749 121.223 -0.119 0.000 2.012 235 L HA -0.213 4.109 4.340 -0.030 0.000 0.210 235 L C 2.417 179.260 176.870 -0.045 0.000 1.073 235 L CA 1.932 56.720 54.840 -0.086 0.000 0.748 235 L CB -0.524 41.477 42.059 -0.095 0.000 0.891 235 L HN 0.321 nan 8.230 nan 0.000 0.431 236 I N -0.652 119.892 120.570 -0.044 0.000 2.264 236 I HA -0.325 3.827 4.170 -0.030 0.000 0.248 236 I C 2.370 178.471 176.117 -0.026 0.000 1.111 236 I CA 1.560 62.853 61.300 -0.012 0.000 1.382 236 I CB -0.362 37.626 38.000 -0.020 0.000 1.060 236 I HN 0.405 nan 8.210 nan 0.000 0.418 237 E N 0.723 120.890 120.200 -0.055 0.000 2.072 237 E HA -0.169 4.163 4.350 -0.030 0.000 0.190 237 E C 2.378 178.950 176.600 -0.046 0.000 0.982 237 E CA 1.142 57.508 56.400 -0.057 0.000 0.803 237 E CB -0.156 29.498 29.700 -0.077 0.000 0.755 237 E HN 0.510 nan 8.360 nan 0.000 0.453 238 A N 1.389 124.185 122.820 -0.041 0.000 1.902 238 A HA -0.147 4.155 4.320 -0.030 0.000 0.217 238 A C 2.381 179.960 177.584 -0.008 0.000 1.181 238 A CA 1.714 53.733 52.037 -0.030 0.000 0.623 238 A CB -0.628 18.354 19.000 -0.030 0.000 0.818 238 A HN 0.236 nan 8.150 nan 0.000 0.443 239 V N -4.083 115.838 119.914 0.012 0.000 3.577 239 V HA 0.268 4.369 4.120 -0.030 0.000 0.294 239 V C 0.515 176.607 176.094 -0.003 0.000 1.317 239 V CA 0.178 62.514 62.300 0.061 0.000 1.169 239 V CB -1.355 30.576 31.823 0.180 0.000 1.011 239 V HN 0.512 nan 8.190 nan 0.000 0.426 240 R N 0.452 120.937 120.500 -0.025 0.000 3.188 240 R HA -0.137 4.185 4.340 -0.030 0.000 0.247 240 R C 0.805 177.063 176.300 -0.070 0.000 0.918 240 R CA 0.559 56.631 56.100 -0.046 0.000 0.629 240 R CB -1.953 28.317 30.300 -0.050 0.000 1.087 240 R HN 0.820 nan 8.270 nan 0.000 0.462 241 G N 0.245 109.024 108.800 -0.035 0.000 2.616 241 G HA2 0.291 4.233 3.960 -0.030 0.000 0.268 241 G HA3 0.291 4.233 3.960 -0.030 0.000 0.268 241 G C -0.063 174.858 174.900 0.034 0.000 1.213 241 G CA -0.152 44.937 45.100 -0.019 0.000 0.926 241 G HN 0.212 nan 8.290 nan 0.000 0.523 242 S N -1.916 113.822 115.700 0.064 0.000 2.584 242 S HA 0.327 4.779 4.470 -0.030 0.000 0.273 242 S C 1.662 176.390 174.600 0.214 0.000 1.311 242 S CA 0.230 58.490 58.200 0.100 0.000 1.034 242 S CB 0.980 64.230 63.200 0.082 0.000 0.939 242 S HN 0.888 nan 8.310 nan 0.000 0.513 243 T N 0.868 115.547 114.554 0.209 0.000 3.065 243 T HA 0.044 4.376 4.350 -0.030 0.000 0.252 243 T C 1.921 176.784 174.700 0.271 0.000 1.099 243 T CA 0.795 63.100 62.100 0.341 0.000 1.063 243 T CB -0.288 68.701 68.868 0.202 0.000 0.948 243 T HN 0.473 nan 8.240 nan 0.000 0.506 244 S N 2.887 118.662 115.700 0.124 0.000 2.380 244 S HA -0.054 4.398 4.470 -0.030 0.000 0.229 244 S C -0.615 173.927 174.600 -0.096 0.000 1.043 244 S CA 1.481 59.697 58.200 0.026 0.000 1.038 244 S CB -1.235 61.979 63.200 0.022 0.000 0.872 244 S HN 0.449 nan 8.310 nan 0.000 0.456 245 P HA -0.023 nan 4.420 nan 0.000 0.221 245 P C 0.374 177.379 177.300 -0.492 0.000 1.145 245 P CA 0.947 63.731 63.100 -0.526 0.000 0.795 245 P CB -0.134 31.056 31.700 -0.850 0.000 0.775 246 F N -1.970 118.061 119.950 0.134 0.000 2.695 246 F HA 0.189 4.698 4.527 -0.031 0.000 0.303 246 F C 1.020 176.917 175.800 0.160 0.000 1.091 246 F CA -0.507 57.573 58.000 0.134 0.000 1.300 246 F CB -0.802 38.215 39.000 0.030 0.000 1.071 246 F HN -0.253 nan 8.300 nan 0.000 0.578 247 L N 0.716 122.077 121.223 0.231 0.000 2.499 247 L HA 0.068 4.389 4.340 -0.030 0.000 0.273 247 L C 1.755 178.749 176.870 0.208 0.000 1.195 247 L CA -0.190 54.746 54.840 0.160 0.000 0.882 247 L CB 0.507 42.602 42.059 0.060 0.000 1.133 247 L HN 0.233 nan 8.230 nan 0.000 0.483 248 A N 3.491 126.411 122.820 0.166 0.000 1.948 248 A HA -0.205 4.097 4.320 -0.030 0.000 0.220 248 A C 2.133 179.783 177.584 0.110 0.000 1.177 248 A CA 1.804 53.940 52.037 0.165 0.000 0.636 248 A CB -0.442 18.614 19.000 0.094 0.000 0.815 248 A HN 0.924 nan 8.150 nan 0.000 0.449 249 E N -0.144 120.079 120.200 0.038 0.000 2.118 249 E HA -0.153 4.179 4.350 -0.030 0.000 0.195 249 E C 1.910 178.457 176.600 -0.088 0.000 0.992 249 E CA 1.501 57.889 56.400 -0.019 0.000 0.804 249 E CB -1.104 28.576 29.700 -0.033 0.000 0.741 249 E HN 0.456 nan 8.360 nan 0.000 0.458 250 G N -0.190 108.502 108.800 -0.179 0.000 2.559 250 G HA2 -0.168 3.774 3.960 -0.030 0.000 0.216 250 G HA3 -0.168 3.774 3.960 -0.030 0.000 0.216 250 G C 0.752 175.290 174.900 -0.603 0.000 1.126 250 G CA 1.054 45.907 45.100 -0.413 0.000 0.778 250 G HN 0.410 nan 8.290 nan 0.000 0.543 251 H N -0.768 118.294 119.070 -0.015 0.000 2.249 251 H HA 0.178 4.716 4.556 -0.030 0.000 0.261 251 H C 1.870 177.194 175.328 -0.007 0.000 0.976 251 H CA 0.226 56.273 56.048 -0.002 0.000 1.322 251 H CB -0.057 29.719 29.762 0.024 0.000 1.418 251 H HN 0.068 nan 8.280 nan 0.000 0.561 252 D N 0.692 121.175 120.400 0.138 0.000 2.158 252 D HA -0.130 4.492 4.640 -0.030 0.000 0.197 252 D C 1.630 177.941 176.300 0.018 0.000 0.995 252 D CA 1.524 55.565 54.000 0.068 0.000 0.846 252 D CB 0.146 40.983 40.800 0.061 0.000 0.941 252 D HN 0.394 nan 8.370 nan 0.000 0.456 253 I N -0.250 120.318 120.570 -0.003 0.000 2.900 253 I HA 0.061 4.213 4.170 -0.030 0.000 0.251 253 I C 2.284 178.370 176.117 -0.051 0.000 1.102 253 I CA 0.474 61.758 61.300 -0.027 0.000 1.457 253 I CB -0.192 37.791 38.000 -0.030 0.000 1.285 253 I HN -0.096 nan 8.210 nan 0.000 0.459 254 A N 0.428 123.203 122.820 -0.076 0.000 1.930 254 A HA -0.069 4.233 4.320 -0.030 0.000 0.217 254 A C 1.755 179.281 177.584 -0.097 0.000 1.175 254 A CA 1.275 53.255 52.037 -0.095 0.000 0.627 254 A CB -0.134 18.788 19.000 -0.131 0.000 0.815 254 A HN 0.371 nan 8.150 nan 0.000 0.443 255 R N -0.374 120.070 120.500 -0.093 0.000 2.754 255 R HA 0.170 4.491 4.340 -0.030 0.000 0.255 255 R C -2.796 173.449 176.300 -0.091 0.000 1.723 255 R CA -1.188 54.850 56.100 -0.104 0.000 1.596 255 R CB 1.045 31.319 30.300 -0.044 0.000 1.424 255 R HN 0.151 nan 8.270 nan 0.000 0.662 256 P HA -0.051 nan 4.420 nan 0.000 0.290 256 P C -0.765 176.490 177.300 -0.075 0.000 1.584 256 P CA 0.181 63.241 63.100 -0.068 0.000 0.813 256 P CB -0.518 31.147 31.700 -0.058 0.000 1.775 257 H N -0.090 119.012 119.070 0.054 0.000 2.803 257 H HA 0.045 4.584 4.556 -0.029 0.000 0.330 257 H C 1.658 177.034 175.328 0.079 0.000 1.057 257 H CA 0.037 56.117 56.048 0.054 0.000 1.458 257 H CB 1.037 30.824 29.762 0.041 0.000 1.470 257 H HN 0.214 nan 8.280 nan 0.000 0.560 258 E N 2.937 123.266 120.200 0.215 0.000 2.049 258 E HA -0.213 4.119 4.350 -0.030 0.000 0.198 258 E C 2.234 178.986 176.600 0.254 0.000 1.007 258 E CA 1.484 58.006 56.400 0.204 0.000 0.809 258 E CB -0.238 29.592 29.700 0.216 0.000 0.749 258 E HN 0.923 nan 8.360 nan 0.000 0.450 259 G N 0.330 109.283 108.800 0.255 0.000 2.422 259 G HA2 -0.341 3.601 3.960 -0.030 0.000 0.218 259 G HA3 -0.341 3.601 3.960 -0.030 0.000 0.218 259 G C 1.482 176.437 174.900 0.091 0.000 1.146 259 G CA 0.861 46.048 45.100 0.145 0.000 0.769 259 G HN 0.362 nan 8.290 nan 0.000 0.547 260 Q N -0.274 119.592 119.800 0.111 0.000 2.119 260 Q HA -0.009 4.313 4.340 -0.030 0.000 0.201 260 Q C 2.536 178.549 176.000 0.022 0.000 0.972 260 Q CA 0.914 56.768 55.803 0.085 0.000 0.847 260 Q CB -0.184 28.671 28.738 0.194 0.000 0.903 260 Q HN 0.567 nan 8.270 nan 0.000 0.433 261 I N 1.016 121.637 120.570 0.085 0.000 2.226 261 I HA -0.283 3.868 4.170 -0.030 0.000 0.245 261 I C 1.587 177.718 176.117 0.023 0.000 1.100 261 I CA 1.147 62.481 61.300 0.057 0.000 1.374 261 I CB -0.254 37.800 38.000 0.090 0.000 1.057 261 I HN 0.222 nan 8.210 nan 0.000 0.413 262 D N 0.311 120.753 120.400 0.070 0.000 2.117 262 D HA -0.135 4.487 4.640 -0.030 0.000 0.198 262 D C 2.211 178.533 176.300 0.037 0.000 0.982 262 D CA 1.498 55.544 54.000 0.076 0.000 0.828 262 D CB -0.432 40.467 40.800 0.166 0.000 0.967 262 D HN 0.249 nan 8.370 nan 0.000 0.464 263 T N 0.792 115.356 114.554 0.017 0.000 2.708 263 T HA -0.101 4.231 4.350 -0.030 0.000 0.266 263 T C 2.032 176.720 174.700 -0.021 0.000 1.037 263 T CA 1.509 63.609 62.100 0.001 0.000 1.146 263 T CB -0.290 68.579 68.868 0.002 0.000 0.865 263 T HN 0.191 nan 8.240 nan 0.000 0.435 264 A N 1.539 124.299 122.820 -0.100 0.000 1.883 264 A HA 0.096 4.398 4.320 -0.030 0.000 0.217 264 A C 2.655 180.226 177.584 -0.022 0.000 1.186 264 A CA 1.962 53.935 52.037 -0.108 0.000 0.624 264 A CB -1.183 17.499 19.000 -0.530 0.000 0.822 264 A HN 0.509 nan 8.150 nan 0.000 0.444 265 A N 0.156 122.962 122.820 -0.024 0.000 1.908 265 A HA -0.217 4.085 4.320 -0.030 0.000 0.218 265 A C 1.939 179.517 177.584 -0.010 0.000 1.181 265 A CA 1.939 53.977 52.037 0.002 0.000 0.627 265 A CB -0.657 18.351 19.000 0.013 0.000 0.818 265 A HN 0.548 nan 8.150 nan 0.000 0.445 266 N N -0.420 118.272 118.700 -0.013 0.000 2.120 266 N HA -0.109 4.613 4.740 -0.030 0.000 0.188 266 N C 1.663 177.131 175.510 -0.070 0.000 1.024 266 N CA 1.560 54.596 53.050 -0.023 0.000 0.852 266 N CB -0.403 38.081 38.487 -0.005 0.000 1.003 266 N HN 0.341 nan 8.380 nan 0.000 0.424 267 M N 0.777 120.310 119.600 -0.112 0.000 2.117 267 M HA -0.050 4.412 4.480 -0.030 0.000 0.262 267 M C 1.918 178.057 176.300 -0.269 0.000 1.065 267 M CA 1.187 56.324 55.300 -0.273 0.000 1.114 267 M CB -0.921 31.393 32.600 -0.476 0.000 1.361 267 M HN 0.151 nan 8.290 nan 0.000 0.408 268 R N -0.141 120.277 120.500 -0.138 0.000 2.081 268 R HA -0.054 4.268 4.340 -0.030 0.000 0.235 268 R C 2.305 178.566 176.300 -0.066 0.000 1.131 268 R CA 1.528 57.584 56.100 -0.073 0.000 0.960 268 R CB -0.553 29.753 30.300 0.009 0.000 0.856 268 R HN 0.395 nan 8.270 nan 0.000 0.436 269 A N 1.229 124.018 122.820 -0.051 0.000 1.898 269 A HA -0.102 4.200 4.320 -0.030 0.000 0.216 269 A C 2.199 179.754 177.584 -0.048 0.000 1.181 269 A CA 1.045 53.060 52.037 -0.036 0.000 0.620 269 A CB -0.463 18.525 19.000 -0.019 0.000 0.819 269 A HN 0.161 nan 8.150 nan 0.000 0.442 270 L N -1.236 119.945 121.223 -0.071 0.000 2.056 270 L HA -0.112 4.209 4.340 -0.030 0.000 0.207 270 L C 2.394 179.211 176.870 -0.089 0.000 1.078 270 L CA 1.295 56.091 54.840 -0.073 0.000 0.749 270 L CB -0.327 41.677 42.059 -0.091 0.000 0.901 270 L HN 0.403 nan 8.230 nan 0.000 0.433 271 M N -0.939 118.587 119.600 -0.124 0.000 2.494 271 M HA 0.049 4.511 4.480 -0.030 0.000 0.232 271 M C 0.592 176.844 176.300 -0.079 0.000 1.137 271 M CA -0.028 55.201 55.300 -0.118 0.000 1.012 271 M CB 0.055 32.552 32.600 -0.171 0.000 1.567 271 M HN 0.046 nan 8.290 nan 0.000 0.486 272 R N 1.629 122.092 120.500 -0.062 0.000 2.484 272 R HA 0.107 4.428 4.340 -0.030 0.000 0.293 272 R C 0.702 176.977 176.300 -0.041 0.000 1.023 272 R CA 1.418 57.494 56.100 -0.041 0.000 1.037 272 R CB 0.106 30.388 30.300 -0.029 0.000 0.951 272 R HN 0.562 nan 8.270 nan 0.000 0.418 273 G N 2.534 111.312 108.800 -0.037 0.000 2.157 273 G HA2 -0.278 3.664 3.960 -0.030 0.000 0.239 273 G HA3 -0.278 3.664 3.960 -0.030 0.000 0.239 273 G C 0.021 174.888 174.900 -0.055 0.000 0.982 273 G CA 0.413 45.489 45.100 -0.041 0.000 0.650 273 G HN 0.751 nan 8.290 nan 0.000 0.527 274 S N -0.119 115.546 115.700 -0.057 0.000 2.565 274 S HA 0.563 5.015 4.470 -0.030 0.000 0.274 274 S C 1.540 176.105 174.600 -0.057 0.000 1.309 274 S CA 0.889 59.048 58.200 -0.069 0.000 1.043 274 S CB 1.192 64.349 63.200 -0.071 0.000 0.939 274 S HN 1.301 nan 8.310 nan 0.000 0.504 275 G N 3.357 112.117 108.800 -0.066 0.000 3.126 275 G HA2 0.190 4.132 3.960 -0.030 0.000 0.224 275 G HA3 0.190 4.132 3.960 -0.030 0.000 0.224 275 G C 0.872 175.743 174.900 -0.049 0.000 1.142 275 G CA -0.105 44.964 45.100 -0.053 0.000 0.759 275 G HN 0.662 nan 8.290 nan 0.000 0.550 276 L N 1.005 122.194 121.223 -0.056 0.000 2.357 276 L HA 0.165 4.487 4.340 -0.030 0.000 0.211 276 L C 1.813 178.660 176.870 -0.038 0.000 1.075 276 L CA 0.491 55.301 54.840 -0.049 0.000 0.830 276 L CB -0.304 41.719 42.059 -0.059 0.000 0.996 276 L HN 0.178 nan 8.230 nan 0.000 0.467 277 T N -0.127 114.405 114.554 -0.035 0.000 2.900 277 T HA 0.334 4.666 4.350 -0.030 0.000 0.307 277 T C -0.122 174.573 174.700 -0.008 0.000 1.065 277 T CA -0.574 61.516 62.100 -0.017 0.000 1.105 277 T CB 1.292 70.153 68.868 -0.011 0.000 0.979 277 T HN 0.026 nan 8.240 nan 0.000 0.544 278 V N -0.598 119.318 119.914 0.004 0.000 2.604 278 V HA 0.635 4.737 4.120 -0.030 0.000 0.305 278 V C -0.321 175.790 176.094 0.029 0.000 1.043 278 V CA -1.150 61.151 62.300 0.002 0.000 0.888 278 V CB 1.480 33.292 31.823 -0.019 0.000 0.995 278 V HN 1.000 nan 8.190 nan 0.000 0.429 279 E N 2.213 122.429 120.200 0.027 0.000 2.319 279 E HA 0.214 4.545 4.350 -0.030 0.000 0.268 279 E C 0.579 177.212 176.600 0.056 0.000 1.050 279 E CA -0.451 55.983 56.400 0.057 0.000 0.878 279 E CB 1.020 30.749 29.700 0.048 0.000 1.066 279 E HN 0.893 nan 8.360 nan 0.000 0.406 280 H N 2.459 121.535 119.070 0.011 0.000 2.353 280 H HA -0.204 4.334 4.556 -0.030 0.000 0.298 280 H C 1.699 177.026 175.328 -0.001 0.000 1.103 280 H CA 1.998 58.047 56.048 0.002 0.000 1.293 280 H CB 0.236 29.997 29.762 -0.001 0.000 1.372 280 H HN 0.655 nan 8.280 nan 0.000 0.501 281 A N 0.991 123.838 122.820 0.045 0.000 1.917 281 A HA -0.198 4.104 4.320 -0.030 0.000 0.219 281 A C 2.201 179.747 177.584 -0.065 0.000 1.182 281 A CA 1.930 53.966 52.037 -0.002 0.000 0.633 281 A CB -0.385 18.635 19.000 0.034 0.000 0.819 281 A HN 0.513 nan 8.150 nan 0.000 0.448 282 D N -0.259 120.109 120.400 -0.053 0.000 2.117 282 D HA -0.071 4.550 4.640 -0.030 0.000 0.198 282 D C 2.018 178.264 176.300 -0.090 0.000 0.982 282 D CA 0.908 54.874 54.000 -0.056 0.000 0.828 282 D CB -0.229 40.550 40.800 -0.034 0.000 0.967 282 D HN 0.442 nan 8.370 nan 0.000 0.464 283 L N 1.079 122.221 121.223 -0.135 0.000 2.017 283 L HA -0.164 4.157 4.340 -0.030 0.000 0.208 283 L C 2.777 179.537 176.870 -0.183 0.000 1.073 283 L CA 1.194 55.941 54.840 -0.155 0.000 0.745 283 L CB -0.262 41.691 42.059 -0.177 0.000 0.894 283 L HN 0.042 nan 8.230 nan 0.000 0.432 284 R N -0.006 120.323 120.500 -0.285 0.000 2.120 284 R HA -0.165 4.157 4.340 -0.030 0.000 0.234 284 R C 2.209 178.441 176.300 -0.112 0.000 1.123 284 R CA 1.172 57.145 56.100 -0.212 0.000 0.975 284 R CB -0.463 29.693 30.300 -0.241 0.000 0.866 284 R HN 0.277 nan 8.270 nan 0.000 0.446 285 R N 0.846 121.289 120.500 -0.095 0.000 2.066 285 R HA -0.107 4.215 4.340 -0.030 0.000 0.232 285 R C 2.346 178.615 176.300 -0.052 0.000 1.131 285 R CA 1.730 57.795 56.100 -0.058 0.000 0.955 285 R CB -0.282 29.991 30.300 -0.045 0.000 0.851 285 R HN 0.466 nan 8.270 nan 0.000 0.432 286 E N 0.700 120.865 120.200 -0.058 0.000 2.153 286 E HA -0.204 4.128 4.350 -0.030 0.000 0.194 286 E C 1.736 178.307 176.600 -0.047 0.000 0.988 286 E CA 0.834 57.206 56.400 -0.047 0.000 0.811 286 E CB 0.100 29.772 29.700 -0.046 0.000 0.746 286 E HN 0.122 nan 8.360 nan 0.000 0.466 287 L N 0.861 122.048 121.223 -0.060 0.000 2.131 287 L HA -0.070 4.252 4.340 -0.030 0.000 0.206 287 L C 2.308 179.150 176.870 -0.047 0.000 1.087 287 L CA 1.493 56.299 54.840 -0.057 0.000 0.767 287 L CB -0.390 41.627 42.059 -0.071 0.000 0.917 287 L HN 0.119 nan 8.230 nan 0.000 0.441 288 Q N 0.073 119.846 119.800 -0.045 0.000 2.119 288 Q HA -0.188 4.134 4.340 -0.030 0.000 0.201 288 Q C 2.079 178.062 176.000 -0.028 0.000 0.972 288 Q CA 1.762 57.544 55.803 -0.034 0.000 0.847 288 Q CB -0.096 28.624 28.738 -0.031 0.000 0.903 288 Q HN 0.458 nan 8.270 nan 0.000 0.433 289 K N 0.042 120.425 120.400 -0.028 0.000 2.155 289 K HA -0.094 4.208 4.320 -0.030 0.000 0.203 289 K C 1.622 178.209 176.600 -0.022 0.000 1.052 289 K CA 1.118 57.392 56.287 -0.023 0.000 0.948 289 K CB -0.045 32.442 32.500 -0.021 0.000 0.728 289 K HN 0.317 nan 8.250 nan 0.000 0.448 290 D N 1.557 121.942 120.400 -0.026 0.000 2.317 290 D HA -0.067 4.555 4.640 -0.030 0.000 0.211 290 D C -0.156 176.129 176.300 -0.026 0.000 0.966 290 D CA 0.571 54.556 54.000 -0.025 0.000 0.876 290 D CB 0.378 41.160 40.800 -0.030 0.000 0.927 290 D HN 0.056 nan 8.370 nan 0.000 0.519 291 K N 0.956 121.339 120.400 -0.027 0.000 2.249 291 K HA 0.219 4.521 4.320 -0.030 0.000 0.280 291 K C -0.213 176.375 176.600 -0.020 0.000 1.033 291 K CA -0.330 55.942 56.287 -0.026 0.000 0.946 291 K CB 1.302 33.786 32.500 -0.027 0.000 1.005 291 K HN -0.053 nan 8.250 nan 0.000 0.469 292 E N 0.304 120.493 120.200 -0.018 0.000 2.232 292 E HA 0.280 4.612 4.350 -0.030 0.000 0.264 292 E C 0.173 176.764 176.600 -0.014 0.000 0.973 292 E CA -0.401 55.990 56.400 -0.015 0.000 0.849 292 E CB 1.458 31.150 29.700 -0.013 0.000 1.198 292 E HN 0.619 nan 8.360 nan 0.000 0.407 293 A N 0.993 123.806 122.820 -0.012 0.000 2.169 293 A HA 0.129 4.431 4.320 -0.030 0.000 0.212 293 A C 1.627 179.205 177.584 -0.010 0.000 1.153 293 A CA 0.980 53.011 52.037 -0.011 0.000 0.756 293 A CB -0.348 18.646 19.000 -0.010 0.000 0.813 293 A HN 0.589 nan 8.150 nan 0.000 0.471 294 G N -0.505 108.289 108.800 -0.010 0.000 3.042 294 G HA2 0.174 4.116 3.960 -0.030 0.000 0.212 294 G HA3 0.174 4.116 3.960 -0.030 0.000 0.212 294 G C 0.474 175.368 174.900 -0.010 0.000 1.166 294 G CA -0.251 44.844 45.100 -0.009 0.000 0.767 294 G HN 0.437 nan 8.290 nan 0.000 0.546 295 K N 0.893 121.286 120.400 -0.011 0.000 2.234 295 K HA 0.302 4.604 4.320 -0.030 0.000 0.277 295 K C -0.297 176.296 176.600 -0.013 0.000 1.038 295 K CA -0.455 55.825 56.287 -0.012 0.000 0.888 295 K CB 1.883 34.374 32.500 -0.014 0.000 1.091 295 K HN -0.145 nan 8.250 nan 0.000 0.467 296 D N 0.828 121.221 120.400 -0.012 0.000 2.162 296 D HA -0.060 4.562 4.640 -0.030 0.000 0.203 296 D C 0.035 176.326 176.300 -0.015 0.000 0.967 296 D CA 0.986 54.978 54.000 -0.012 0.000 0.840 296 D CB 0.380 41.173 40.800 -0.010 0.000 0.972 296 D HN 0.116 nan 8.370 nan 0.000 0.482 297 V N 1.105 121.010 119.914 -0.016 0.000 2.577 297 V HA 0.407 4.509 4.120 -0.030 0.000 0.303 297 V C -0.802 175.278 176.094 -0.022 0.000 1.042 297 V CA -0.799 61.489 62.300 -0.019 0.000 0.872 297 V CB 1.705 33.517 31.823 -0.017 0.000 0.998 297 V HN 0.080 nan 8.190 nan 0.000 0.423 298 Q N 3.880 123.663 119.800 -0.028 0.000 2.377 298 Q HA 0.714 5.036 4.340 -0.030 0.000 0.279 298 Q C -1.204 174.771 176.000 -0.041 0.000 1.049 298 Q CA -1.180 54.605 55.803 -0.030 0.000 0.825 298 Q CB 2.629 31.351 28.738 -0.028 0.000 1.401 298 Q HN 0.615 nan 8.270 nan 0.000 0.404 299 R N 0.742 121.217 120.500 -0.041 0.000 2.531 299 R HA 0.650 4.972 4.340 -0.030 0.000 0.273 299 R C -0.519 175.744 176.300 -0.060 0.000 1.070 299 R CA -0.448 55.620 56.100 -0.054 0.000 1.112 299 R CB 1.516 31.790 30.300 -0.042 0.000 1.049 299 R HN 0.677 nan 8.270 nan 0.000 0.508 300 S N -0.321 115.327 115.700 -0.088 0.000 2.541 300 S HA 0.149 4.601 4.470 -0.030 0.000 0.271 300 S C -0.247 174.287 174.600 -0.110 0.000 1.133 300 S CA -0.758 57.389 58.200 -0.088 0.000 0.876 300 S CB 1.778 64.918 63.200 -0.101 0.000 1.105 300 S HN 0.714 nan 8.310 nan 0.000 0.470 301 E N 1.926 122.094 120.200 -0.054 0.000 2.479 301 E HA 0.249 4.581 4.350 -0.030 0.000 0.193 301 E C -0.271 176.346 176.600 0.029 0.000 1.049 301 E CA 0.203 56.605 56.400 0.003 0.000 0.870 301 E CB 0.255 29.985 29.700 0.049 0.000 0.944 301 E HN 0.557 nan 8.360 nan 0.000 0.492 302 I N 1.345 121.885 120.570 -0.049 0.000 2.365 302 I HA 0.097 4.249 4.170 -0.030 0.000 0.291 302 I C -0.574 175.483 176.117 -0.101 0.000 1.004 302 I CA -0.425 60.864 61.300 -0.017 0.000 1.311 302 I CB 0.500 38.476 38.000 -0.039 0.000 1.401 302 I HN -0.085 nan 8.210 nan 0.000 0.491 303 Y N 6.004 126.280 120.300 -0.040 0.000 2.369 303 Y HA 0.143 4.675 4.550 -0.030 0.000 0.337 303 Y C 0.712 176.584 175.900 -0.047 0.000 0.961 303 Y CA -0.526 57.558 58.100 -0.028 0.000 1.186 303 Y CB 1.522 39.971 38.460 -0.018 0.000 1.139 303 Y HN 0.507 nan 8.280 nan 0.000 0.494 304 L N 2.176 123.435 121.223 0.060 0.000 2.265 304 L HA -0.055 4.267 4.340 -0.030 0.000 0.215 304 L C 0.207 177.133 176.870 0.094 0.000 1.117 304 L CA 1.818 56.678 54.840 0.032 0.000 0.782 304 L CB -0.198 41.874 42.059 0.022 0.000 0.914 304 L HN 0.618 nan 8.230 nan 0.000 0.441 305 Q N -0.727 119.156 119.800 0.138 0.000 2.389 305 Q HA 0.361 4.683 4.340 -0.030 0.000 0.277 305 Q C -0.871 175.216 176.000 0.145 0.000 1.082 305 Q CA -1.038 54.843 55.803 0.131 0.000 0.810 305 Q CB 2.100 30.917 28.738 0.131 0.000 1.374 305 Q HN -0.097 nan 8.270 nan 0.000 0.422 306 K N 0.273 120.728 120.400 0.092 0.000 2.177 306 K HA 0.639 4.941 4.320 -0.030 0.000 0.238 306 K C -0.313 176.370 176.600 0.138 0.000 1.015 306 K CA -0.566 55.769 56.287 0.079 0.000 0.922 306 K CB 0.695 33.218 32.500 0.038 0.000 1.127 306 K HN 0.732 nan 8.250 nan 0.000 0.469 307 A N 0.499 123.399 122.820 0.133 0.000 2.448 307 A HA 0.041 4.343 4.320 -0.030 0.000 0.239 307 A C 0.593 178.315 177.584 0.231 0.000 1.080 307 A CA 0.121 52.228 52.037 0.117 0.000 0.779 307 A CB -0.255 18.762 19.000 0.028 0.000 1.026 307 A HN 0.605 nan 8.150 nan 0.000 0.499 308 Y N 1.182 121.497 120.300 0.024 0.000 2.139 308 Y HA -0.244 4.287 4.550 -0.031 0.000 0.282 308 Y C 2.985 178.899 175.900 0.023 0.000 1.179 308 Y CA 1.868 59.978 58.100 0.016 0.000 1.161 308 Y CB -1.399 37.068 38.460 0.012 0.000 0.970 308 Y HN 0.775 nan 8.280 nan 0.000 0.511 309 S N -0.626 115.189 115.700 0.191 0.000 2.500 309 S HA -0.096 4.355 4.470 -0.030 0.000 0.239 309 S C 1.370 176.037 174.600 0.113 0.000 0.989 309 S CA 1.133 59.404 58.200 0.118 0.000 0.951 309 S CB -0.687 62.555 63.200 0.070 0.000 0.759 309 S HN 0.493 nan 8.310 nan 0.000 0.523 310 L N -0.526 120.777 121.223 0.134 0.000 3.016 310 L HA 0.488 4.810 4.340 -0.030 0.000 0.267 310 L C 1.960 178.921 176.870 0.152 0.000 1.182 310 L CA -0.122 54.810 54.840 0.154 0.000 0.997 310 L CB 0.286 42.434 42.059 0.148 0.000 1.354 310 L HN 0.237 nan 8.230 nan 0.000 0.569 311 R N 0.226 120.776 120.500 0.083 0.000 2.561 311 R HA 0.279 4.601 4.340 -0.030 0.000 0.213 311 R C 1.301 177.534 176.300 -0.112 0.000 0.885 311 R CA 0.761 56.826 56.100 -0.058 0.000 1.002 311 R CB 0.347 30.639 30.300 -0.013 0.000 1.432 311 R HN 0.080 nan 8.270 nan 0.000 0.651 312 A N 0.955 123.752 122.820 -0.039 0.000 2.462 312 A HA 0.268 4.570 4.320 -0.030 0.000 0.261 312 A C 1.242 178.826 177.584 0.001 0.000 1.323 312 A CA -0.257 51.737 52.037 -0.071 0.000 0.913 312 A CB -0.423 18.494 19.000 -0.138 0.000 1.028 312 A HN 0.293 nan 8.150 nan 0.000 0.511 313 I N 0.317 120.923 120.570 0.059 0.000 2.179 313 I HA -0.146 4.006 4.170 -0.030 0.000 0.242 313 I C -0.614 175.552 176.117 0.083 0.000 1.088 313 I CA 1.328 62.695 61.300 0.111 0.000 1.357 313 I CB -0.811 37.333 38.000 0.240 0.000 1.051 313 I HN 0.204 nan 8.210 nan 0.000 0.409 314 P HA -0.163 nan 4.420 nan 0.000 0.216 314 P C 1.427 178.746 177.300 0.032 0.000 1.153 314 P CA 1.295 64.408 63.100 0.021 0.000 0.848 314 P CB 0.040 31.687 31.700 -0.088 0.000 0.787 315 Q N -0.868 118.957 119.800 0.041 0.000 2.046 315 Q HA -0.091 4.231 4.340 -0.030 0.000 0.200 315 Q C 2.148 178.134 176.000 -0.024 0.000 0.975 315 Q CA 1.374 57.186 55.803 0.015 0.000 0.836 315 Q CB -1.410 27.318 28.738 -0.016 0.000 0.896 315 Q HN 0.090 nan 8.270 nan 0.000 0.428 316 V N -0.545 119.359 119.914 -0.017 0.000 2.273 316 V HA -0.163 3.939 4.120 -0.030 0.000 0.242 316 V C 2.068 178.148 176.094 -0.024 0.000 1.035 316 V CA 1.327 63.614 62.300 -0.021 0.000 1.013 316 V CB -0.502 31.321 31.823 -0.001 0.000 0.652 316 V HN 0.160 nan 8.190 nan 0.000 0.452 317 V N 1.120 121.029 119.914 -0.008 0.000 2.594 317 V HA -0.136 3.966 4.120 -0.030 0.000 0.253 317 V C 2.572 178.639 176.094 -0.044 0.000 1.069 317 V CA 1.950 64.240 62.300 -0.016 0.000 1.082 317 V CB -1.371 30.455 31.823 0.006 0.000 0.680 317 V HN 0.616 nan 8.190 nan 0.000 0.469 318 G N -0.188 108.590 108.800 -0.035 0.000 2.402 318 G HA2 -0.163 3.779 3.960 -0.030 0.000 0.216 318 G HA3 -0.163 3.779 3.960 -0.030 0.000 0.216 318 G C 1.761 176.604 174.900 -0.095 0.000 1.162 318 G CA 0.932 46.004 45.100 -0.045 0.000 0.777 318 G HN 0.589 nan 8.290 nan 0.000 0.539 319 A N 0.154 122.914 122.820 -0.101 0.000 1.933 319 A HA 0.098 4.400 4.320 -0.030 0.000 0.218 319 A C 2.593 180.102 177.584 -0.124 0.000 1.175 319 A CA 1.722 53.678 52.037 -0.135 0.000 0.628 319 A CB -0.582 18.339 19.000 -0.131 0.000 0.814 319 A HN 0.239 nan 8.150 nan 0.000 0.444 320 V N -0.082 119.771 119.914 -0.101 0.000 2.295 320 V HA -0.281 3.821 4.120 -0.030 0.000 0.246 320 V C 2.649 178.644 176.094 -0.164 0.000 1.049 320 V CA 2.307 64.553 62.300 -0.089 0.000 1.024 320 V CB -0.788 31.003 31.823 -0.054 0.000 0.648 320 V HN 0.532 nan 8.190 nan 0.000 0.447 321 R N -0.248 120.099 120.500 -0.255 0.000 2.083 321 R HA -0.186 4.136 4.340 -0.030 0.000 0.237 321 R C 2.164 177.952 176.300 -0.853 0.000 1.137 321 R CA 1.888 57.640 56.100 -0.579 0.000 0.951 321 R CB -0.508 29.455 30.300 -0.561 0.000 0.851 321 R HN 0.509 nan 8.270 nan 0.000 0.434 322 D N -0.396 119.735 120.400 -0.448 0.000 2.133 322 D HA -0.139 4.483 4.640 -0.030 0.000 0.195 322 D C 1.793 178.064 176.300 -0.048 0.000 0.997 322 D CA 1.679 55.575 54.000 -0.173 0.000 0.840 322 D CB -0.294 40.470 40.800 -0.060 0.000 0.947 322 D HN 0.226 nan 8.370 nan 0.000 0.452 323 T N 1.017 115.533 114.554 -0.063 0.000 2.746 323 T HA -0.061 4.271 4.350 -0.030 0.000 0.267 323 T C 2.231 177.007 174.700 0.126 0.000 1.039 323 T CA 0.535 62.672 62.100 0.061 0.000 1.142 323 T CB -0.234 68.660 68.868 0.042 0.000 0.866 323 T HN 0.144 nan 8.240 nan 0.000 0.444 324 L N -0.337 120.889 121.223 0.005 0.000 2.083 324 L HA -0.090 4.232 4.340 -0.030 0.000 0.209 324 L C 2.529 179.515 176.870 0.194 0.000 1.083 324 L CA 1.289 56.165 54.840 0.059 0.000 0.752 324 L CB -0.689 41.358 42.059 -0.020 0.000 0.899 324 L HN 0.253 nan 8.230 nan 0.000 0.433 325 Y N -0.901 119.476 120.300 0.127 0.000 2.181 325 Y HA -0.260 4.272 4.550 -0.030 0.000 0.288 325 Y C 2.780 178.789 175.900 0.181 0.000 1.146 325 Y CA 1.085 59.259 58.100 0.124 0.000 1.164 325 Y CB -1.229 37.292 38.460 0.103 0.000 0.982 325 Y HN 0.278 nan 8.280 nan 0.000 0.515 326 H N -0.106 119.138 119.070 0.290 0.000 2.353 326 H HA -0.120 4.417 4.556 -0.031 0.000 0.300 326 H C 2.138 177.609 175.328 0.239 0.000 1.090 326 H CA 1.340 57.547 56.048 0.264 0.000 1.327 326 H CB 0.099 29.994 29.762 0.222 0.000 1.383 326 H HN 0.296 nan 8.280 nan 0.000 0.508 327 A N 1.380 124.300 122.820 0.167 0.000 1.902 327 A HA -0.171 4.131 4.320 -0.030 0.000 0.217 327 A C 2.566 180.180 177.584 0.050 0.000 1.181 327 A CA 1.475 53.553 52.037 0.069 0.000 0.623 327 A CB -0.672 18.407 19.000 0.130 0.000 0.818 327 A HN 0.451 nan 8.150 nan 0.000 0.443 328 R N -1.265 119.308 120.500 0.121 0.000 2.096 328 R HA -0.188 4.134 4.340 -0.030 0.000 0.235 328 R C 2.183 178.555 176.300 0.121 0.000 1.127 328 R CA 1.705 57.873 56.100 0.114 0.000 0.968 328 R CB -0.522 29.867 30.300 0.148 0.000 0.861 328 R HN 0.848 nan 8.270 nan 0.000 0.440 329 H N 0.192 119.269 119.070 0.011 0.000 2.321 329 H HA -0.098 4.440 4.556 -0.030 0.000 0.300 329 H C 1.413 176.710 175.328 -0.051 0.000 1.087 329 H CA 1.280 57.320 56.048 -0.014 0.000 1.319 329 H CB 0.315 30.076 29.762 -0.002 0.000 1.379 329 H HN 0.039 nan 8.280 nan 0.000 0.501 330 K N 0.746 121.026 120.400 -0.201 0.000 2.057 330 K HA -0.122 4.180 4.320 -0.030 0.000 0.207 330 K C 2.494 179.020 176.600 -0.124 0.000 1.049 330 K CA 0.756 56.892 56.287 -0.252 0.000 0.931 330 K CB -0.463 31.893 32.500 -0.239 0.000 0.714 330 K HN 0.375 nan 8.250 nan 0.000 0.440 331 L N 0.374 121.562 121.223 -0.057 0.000 2.083 331 L HA -0.131 4.191 4.340 -0.030 0.000 0.209 331 L C 2.817 179.680 176.870 -0.012 0.000 1.083 331 L CA 1.108 55.934 54.840 -0.024 0.000 0.752 331 L CB -0.344 41.715 42.059 0.001 0.000 0.899 331 L HN 0.177 nan 8.230 nan 0.000 0.433 332 R N 0.632 121.137 120.500 0.009 0.000 2.073 332 R HA -0.170 4.152 4.340 -0.030 0.000 0.234 332 R C 2.335 178.639 176.300 0.007 0.000 1.134 332 R CA 1.577 57.693 56.100 0.028 0.000 0.952 332 R CB -0.260 30.087 30.300 0.077 0.000 0.850 332 R HN 0.255 nan 8.270 nan 0.000 0.433 333 I N 0.659 121.211 120.570 -0.030 0.000 2.163 333 I HA -0.266 3.886 4.170 -0.030 0.000 0.243 333 I C 2.446 178.541 176.117 -0.036 0.000 1.085 333 I CA 1.544 62.814 61.300 -0.050 0.000 1.347 333 I CB -0.249 37.672 38.000 -0.131 0.000 1.044 333 I HN 0.285 nan 8.210 nan 0.000 0.408 334 E N 1.341 121.516 120.200 -0.042 0.000 2.072 334 E HA -0.182 4.150 4.350 -0.030 0.000 0.191 334 E C 2.135 178.728 176.600 -0.012 0.000 0.985 334 E CA 1.391 57.775 56.400 -0.028 0.000 0.801 334 E CB -0.376 29.305 29.700 -0.031 0.000 0.750 334 E HN 0.394 nan 8.360 nan 0.000 0.452 335 L N 0.584 121.802 121.223 -0.009 0.000 2.043 335 L HA -0.170 4.152 4.340 -0.030 0.000 0.212 335 L C 1.142 178.014 176.870 0.004 0.000 1.075 335 L CA 1.289 56.128 54.840 -0.002 0.000 0.752 335 L CB -0.360 41.700 42.059 0.001 0.000 0.891 335 L HN 0.167 nan 8.230 nan 0.000 0.432 336 N N 0.020 118.724 118.700 0.007 0.000 2.451 336 N HA 0.075 4.797 4.740 -0.030 0.000 0.264 336 N C -0.168 175.354 175.510 0.019 0.000 1.167 336 N CA 0.111 53.171 53.050 0.015 0.000 0.898 336 N CB 0.527 39.025 38.487 0.019 0.000 1.176 336 N HN 0.264 nan 8.380 nan 0.000 0.507 337 S N -1.095 114.614 115.700 0.015 0.000 2.638 337 S HA 0.723 5.175 4.470 -0.030 0.000 0.302 337 S C -0.174 174.443 174.600 0.028 0.000 1.096 337 S CA -0.903 57.306 58.200 0.015 0.000 0.953 337 S CB 2.437 65.635 63.200 -0.004 0.000 1.107 337 S HN 0.092 nan 8.310 nan 0.000 0.503 338 A N 2.144 124.982 122.820 0.030 0.000 3.016 338 A HA 0.415 4.717 4.320 -0.030 0.000 0.303 338 A C 0.117 177.725 177.584 0.039 0.000 1.507 338 A CA -0.922 51.140 52.037 0.042 0.000 1.196 338 A CB -1.551 17.473 19.000 0.040 0.000 1.169 338 A HN 0.859 nan 8.150 nan 0.000 0.544 339 N N 1.114 119.840 118.700 0.043 0.000 2.663 339 N HA 0.428 5.150 4.740 -0.030 0.000 0.250 339 N C -0.791 174.779 175.510 0.100 0.000 1.129 339 N CA -0.263 52.824 53.050 0.061 0.000 0.995 339 N CB 0.612 39.129 38.487 0.050 0.000 1.324 339 N HN 0.444 nan 8.380 nan 0.000 0.512 340 D N 0.434 120.911 120.400 0.129 0.000 2.692 340 D HA 0.459 5.081 4.640 -0.030 0.000 0.290 340 D C -1.913 174.519 176.300 0.220 0.000 1.281 340 D CA -0.636 53.460 54.000 0.161 0.000 0.804 340 D CB 1.438 42.287 40.800 0.081 0.000 1.331 340 D HN 0.412 nan 8.370 nan 0.000 0.432 341 N N 0.038 118.885 118.700 0.245 0.000 2.647 341 N HA 0.426 5.148 4.740 -0.030 0.000 0.259 341 N C -2.954 172.690 175.510 0.223 0.000 1.098 341 N CA -0.979 52.224 53.050 0.255 0.000 0.984 341 N CB 2.723 41.455 38.487 0.409 0.000 1.683 341 N HN 0.113 nan 8.380 nan 0.000 0.501 342 P HA 0.350 nan 4.420 nan 0.000 0.279 342 P C -0.911 176.426 177.300 0.061 0.000 1.282 342 P CA -0.410 62.662 63.100 -0.046 0.000 0.788 342 P CB 1.313 32.754 31.700 -0.433 0.000 1.139 343 L N -0.651 120.672 121.223 0.166 0.000 2.370 343 L HA 0.499 4.821 4.340 -0.030 0.000 0.266 343 L C -0.163 176.706 176.870 -0.002 0.000 1.002 343 L CA -0.994 53.874 54.840 0.047 0.000 0.818 343 L CB 1.738 43.797 42.059 0.000 0.000 1.325 343 L HN 0.282 nan 8.230 nan 0.000 0.418 344 F N 2.246 122.007 119.950 -0.315 0.000 2.420 344 F HA 0.624 5.132 4.527 -0.031 0.000 0.342 344 F C -1.213 174.348 175.800 -0.399 0.000 1.113 344 F CA -0.602 57.285 58.000 -0.187 0.000 1.059 344 F CB 0.865 39.807 39.000 -0.097 0.000 1.128 344 F HN 0.093 nan 8.300 nan 0.000 0.475 345 F N 4.450 123.952 119.950 -0.747 0.000 2.579 345 F HA 0.235 4.744 4.527 -0.031 0.000 0.325 345 F C -0.087 175.171 175.800 -0.904 0.000 1.162 345 F CA -1.004 56.666 58.000 -0.550 0.000 0.946 345 F CB 1.402 40.250 39.000 -0.253 0.000 1.211 345 F HN 0.492 nan 8.300 nan 0.000 0.447 346 E N 1.967 121.780 120.200 -0.646 0.000 2.568 346 E HA 0.288 4.620 4.350 -0.030 0.000 0.262 346 E C 1.229 177.771 176.600 -0.098 0.000 0.961 346 E CA 1.262 57.476 56.400 -0.310 0.000 0.945 346 E CB 0.428 30.145 29.700 0.027 0.000 0.924 346 E HN 0.978 nan 8.360 nan 0.000 0.467 347 G N 3.569 112.365 108.800 -0.007 0.000 2.153 347 G HA2 -0.305 3.637 3.960 -0.030 0.000 0.252 347 G HA3 -0.305 3.637 3.960 -0.030 0.000 0.252 347 G C -0.170 174.740 174.900 0.018 0.000 0.994 347 G CA 0.754 45.870 45.100 0.028 0.000 0.698 347 G HN 0.511 nan 8.290 nan 0.000 0.521 348 K N -0.530 119.875 120.400 0.007 0.000 2.509 348 K HA 0.449 4.751 4.320 -0.030 0.000 0.266 348 K C -0.200 176.464 176.600 0.106 0.000 0.987 348 K CA -1.114 55.200 56.287 0.045 0.000 0.868 348 K CB 1.548 34.071 32.500 0.038 0.000 1.421 348 K HN 0.054 nan 8.250 nan 0.000 0.444 349 E N 1.247 121.525 120.200 0.129 0.000 2.422 349 E HA 0.068 4.400 4.350 -0.030 0.000 0.260 349 E C 0.059 176.824 176.600 0.274 0.000 1.108 349 E CA 0.192 56.697 56.400 0.174 0.000 0.943 349 E CB 0.515 30.298 29.700 0.138 0.000 0.961 349 E HN 0.376 nan 8.360 nan 0.000 0.443 350 I N 2.606 123.378 120.570 0.337 0.000 2.587 350 I HA -0.084 4.067 4.170 -0.030 0.000 0.284 350 I C 0.618 177.045 176.117 0.516 0.000 1.134 350 I CA -0.095 61.470 61.300 0.441 0.000 1.410 350 I CB -0.057 38.236 38.000 0.489 0.000 1.392 350 I HN 0.308 nan 8.210 nan 0.000 0.545 351 F N 7.553 127.709 119.950 0.343 0.000 2.541 351 F HA 0.119 4.627 4.527 -0.031 0.000 0.378 351 F C -0.004 175.923 175.800 0.212 0.000 1.068 351 F CA -0.023 58.164 58.000 0.312 0.000 1.199 351 F CB -0.023 39.228 39.000 0.419 0.000 1.091 351 F HN 0.368 nan 8.300 nan 0.000 0.555 352 H N 5.064 123.807 119.070 -0.545 0.000 2.697 352 H HA 0.497 5.035 4.556 -0.030 0.000 0.270 352 H C 0.463 175.335 175.328 -0.761 0.000 1.188 352 H CA -0.150 55.632 56.048 -0.443 0.000 1.322 352 H CB 0.766 30.423 29.762 -0.176 0.000 1.405 352 H HN 0.772 nan 8.280 nan 0.000 0.502 353 G N 0.573 108.899 108.800 -0.790 0.000 3.302 353 G HA2 0.582 4.524 3.960 -0.030 0.000 0.170 353 G HA3 0.582 4.524 3.960 -0.030 0.000 0.170 353 G C -0.613 174.134 174.900 -0.256 0.000 1.119 353 G CA -0.226 44.553 45.100 -0.536 0.000 0.826 353 G HN 0.496 nan 8.290 nan 0.000 0.646 354 A N -0.269 122.354 122.820 -0.328 0.000 2.843 354 A HA 0.395 4.697 4.320 -0.030 0.000 0.248 354 A C 0.576 177.622 177.584 -0.896 0.000 0.904 354 A CA -0.301 51.146 52.037 -0.983 0.000 1.091 354 A CB -0.145 18.498 19.000 -0.596 0.000 1.208 354 A HN 0.267 nan 8.150 nan 0.000 0.476 355 N N 0.223 118.675 118.700 -0.413 0.000 2.571 355 N HA -0.030 4.692 4.740 -0.030 0.000 0.189 355 N C 0.895 176.328 175.510 -0.128 0.000 1.154 355 N CA 0.873 53.822 53.050 -0.168 0.000 0.907 355 N CB -0.359 38.143 38.487 0.024 0.000 0.977 355 N HN 0.775 nan 8.380 nan 0.000 0.449 356 F N -1.288 118.721 119.950 0.098 0.000 2.743 356 F HA 0.228 4.736 4.527 -0.031 0.000 0.297 356 F C 0.939 176.762 175.800 0.040 0.000 1.131 356 F CA -0.449 57.585 58.000 0.056 0.000 1.426 356 F CB -0.965 38.061 39.000 0.044 0.000 1.116 356 F HN -0.028 nan 8.300 nan 0.000 0.583 357 H N 2.085 121.105 119.070 -0.084 0.000 3.017 357 H HA 0.237 4.776 4.556 -0.029 0.000 0.276 357 H C 1.187 176.504 175.328 -0.017 0.000 1.062 357 H CA 0.183 56.252 56.048 0.035 0.000 1.486 357 H CB 1.285 30.980 29.762 -0.112 0.000 1.507 357 H HN 0.387 nan 8.280 nan 0.000 0.508 358 G N 3.867 112.700 108.800 0.054 0.000 3.210 358 G HA2 -0.134 3.808 3.960 -0.030 0.000 0.220 358 G HA3 -0.134 3.808 3.960 -0.030 0.000 0.220 358 G C 1.345 176.245 174.900 0.000 0.000 1.200 358 G CA -0.163 44.953 45.100 0.027 0.000 0.834 358 G HN 0.514 nan 8.290 nan 0.000 0.524 359 Q N 1.552 121.417 119.800 0.108 0.000 2.096 359 Q HA -0.120 4.202 4.340 -0.030 0.000 0.208 359 Q C 0.356 176.164 176.000 -0.321 0.000 0.993 359 Q CA 2.327 57.996 55.803 -0.223 0.000 0.862 359 Q CB -0.653 27.904 28.738 -0.302 0.000 0.915 359 Q HN 0.413 nan 8.270 nan 0.000 0.416 360 P HA -0.177 nan 4.420 nan 0.000 0.216 360 P C 0.866 178.143 177.300 -0.039 0.000 1.150 360 P CA 1.267 64.348 63.100 -0.031 0.000 0.843 360 P CB -0.056 31.633 31.700 -0.018 0.000 0.787 361 I N -0.324 120.207 120.570 -0.066 0.000 2.584 361 I HA -0.012 4.140 4.170 -0.030 0.000 0.255 361 I C 2.604 178.671 176.117 -0.083 0.000 1.145 361 I CA 0.643 61.906 61.300 -0.061 0.000 1.462 361 I CB -1.977 35.997 38.000 -0.043 0.000 1.102 361 I HN -0.096 nan 8.210 nan 0.000 0.433 362 A N 1.154 123.903 122.820 -0.119 0.000 1.908 362 A HA -0.210 4.092 4.320 -0.030 0.000 0.218 362 A C 2.145 179.659 177.584 -0.117 0.000 1.181 362 A CA 1.484 53.449 52.037 -0.120 0.000 0.627 362 A CB -0.837 18.064 19.000 -0.165 0.000 0.818 362 A HN 0.242 nan 8.150 nan 0.000 0.445 363 F N 0.147 119.932 119.950 -0.275 0.000 2.075 363 F HA -0.102 4.406 4.527 -0.032 0.000 0.297 363 F C 2.915 178.041 175.800 -1.123 0.000 1.113 363 F CA 0.408 58.013 58.000 -0.657 0.000 1.218 363 F CB -1.302 37.428 39.000 -0.449 0.000 0.984 363 F HN 0.283 nan 8.300 nan 0.000 0.472 364 A N -0.029 122.581 122.820 -0.349 0.000 1.892 364 A HA -0.257 4.045 4.320 -0.030 0.000 0.218 364 A C 2.227 179.744 177.584 -0.112 0.000 1.188 364 A CA 2.246 54.174 52.037 -0.181 0.000 0.631 364 A CB -0.680 18.297 19.000 -0.038 0.000 0.822 364 A HN 0.242 nan 8.150 nan 0.000 0.447 365 M N -0.500 119.046 119.600 -0.090 0.000 2.254 365 M HA -0.071 4.391 4.480 -0.030 0.000 0.265 365 M C 1.406 177.714 176.300 0.013 0.000 1.066 365 M CA 1.201 56.495 55.300 -0.011 0.000 1.123 365 M CB -1.615 30.984 32.600 -0.002 0.000 1.388 365 M HN 0.312 nan 8.290 nan 0.000 0.425 366 D N 0.136 120.509 120.400 -0.045 0.000 2.144 366 D HA -0.107 4.515 4.640 -0.030 0.000 0.199 366 D C 1.860 178.291 176.300 0.219 0.000 0.984 366 D CA 1.046 55.083 54.000 0.061 0.000 0.834 366 D CB -0.129 40.713 40.800 0.070 0.000 0.955 366 D HN 0.204 nan 8.370 nan 0.000 0.465 367 F N 0.367 120.379 119.950 0.103 0.000 2.186 367 F HA -0.070 4.439 4.527 -0.030 0.000 0.299 367 F C 2.495 178.332 175.800 0.060 0.000 1.090 367 F CA 0.113 58.156 58.000 0.072 0.000 1.307 367 F CB -1.233 37.821 39.000 0.091 0.000 1.019 367 F HN -0.133 nan 8.300 nan 0.000 0.489 368 V N -0.317 119.743 119.914 0.244 0.000 2.343 368 V HA -0.282 3.820 4.120 -0.030 0.000 0.247 368 V C 2.302 178.466 176.094 0.115 0.000 1.051 368 V CA 2.288 64.678 62.300 0.150 0.000 1.036 368 V CB -1.209 30.681 31.823 0.111 0.000 0.654 368 V HN 0.349 nan 8.190 nan 0.000 0.451 369 T N 0.309 114.932 114.554 0.115 0.000 2.684 369 T HA -0.168 4.164 4.350 -0.030 0.000 0.267 369 T C 1.818 176.571 174.700 0.089 0.000 1.036 369 T CA 1.916 64.071 62.100 0.092 0.000 1.148 369 T CB -0.286 68.635 68.868 0.090 0.000 0.863 369 T HN 0.346 nan 8.240 nan 0.000 0.436 370 I N 1.112 121.748 120.570 0.111 0.000 2.179 370 I HA -0.186 3.966 4.170 -0.030 0.000 0.242 370 I C 2.903 179.054 176.117 0.056 0.000 1.088 370 I CA 1.174 62.524 61.300 0.084 0.000 1.357 370 I CB -0.469 37.587 38.000 0.094 0.000 1.051 370 I HN 0.199 nan 8.210 nan 0.000 0.409 371 A N 0.849 123.706 122.820 0.061 0.000 1.877 371 A HA -0.164 4.138 4.320 -0.030 0.000 0.216 371 A C 2.293 179.895 177.584 0.030 0.000 1.186 371 A CA 1.416 53.472 52.037 0.031 0.000 0.620 371 A CB -0.915 18.103 19.000 0.030 0.000 0.822 371 A HN 0.384 nan 8.150 nan 0.000 0.443 372 L N -0.633 120.617 121.223 0.044 0.000 2.131 372 L HA -0.157 4.165 4.340 -0.030 0.000 0.210 372 L C 2.736 179.631 176.870 0.040 0.000 1.092 372 L CA 1.642 56.507 54.840 0.042 0.000 0.759 372 L CB -0.898 41.191 42.059 0.050 0.000 0.903 372 L HN 0.372 nan 8.230 nan 0.000 0.435 373 T N -1.154 113.426 114.554 0.043 0.000 2.708 373 T HA -0.277 4.054 4.350 -0.030 0.000 0.266 373 T C 1.830 176.550 174.700 0.034 0.000 1.037 373 T CA 1.540 63.663 62.100 0.040 0.000 1.146 373 T CB -0.141 68.752 68.868 0.041 0.000 0.865 373 T HN 0.204 nan 8.240 nan 0.000 0.435 374 Q N 0.556 120.372 119.800 0.028 0.000 2.167 374 Q HA 0.007 4.329 4.340 -0.030 0.000 0.202 374 Q C 2.049 178.063 176.000 0.023 0.000 0.970 374 Q CA 0.960 56.776 55.803 0.022 0.000 0.855 374 Q CB -0.621 28.124 28.738 0.011 0.000 0.911 374 Q HN 0.422 nan 8.270 nan 0.000 0.438 375 L N -0.482 120.755 121.223 0.023 0.000 2.083 375 L HA 0.018 4.340 4.340 -0.030 0.000 0.209 375 L C 1.971 178.860 176.870 0.032 0.000 1.083 375 L CA 2.341 57.196 54.840 0.025 0.000 0.752 375 L CB -0.968 41.107 42.059 0.026 0.000 0.899 375 L HN 0.308 nan 8.230 nan 0.000 0.433 376 G N -1.616 107.205 108.800 0.036 0.000 2.421 376 G HA2 -0.131 3.810 3.960 -0.030 0.000 0.217 376 G HA3 -0.131 3.810 3.960 -0.030 0.000 0.217 376 G C 1.533 176.455 174.900 0.037 0.000 1.143 376 G CA 0.782 45.906 45.100 0.039 0.000 0.784 376 G HN 0.297 nan 8.290 nan 0.000 0.541 377 V N 0.777 120.712 119.914 0.035 0.000 2.287 377 V HA -0.156 3.946 4.120 -0.030 0.000 0.248 377 V C 2.686 178.801 176.094 0.035 0.000 1.053 377 V CA 1.753 64.074 62.300 0.035 0.000 1.027 377 V CB -0.400 31.443 31.823 0.033 0.000 0.646 377 V HN 0.379 nan 8.190 nan 0.000 0.447 378 L N 0.866 122.110 121.223 0.034 0.000 2.017 378 L HA -0.077 4.245 4.340 -0.030 0.000 0.208 378 L C 2.455 179.342 176.870 0.028 0.000 1.073 378 L CA 2.470 57.332 54.840 0.036 0.000 0.745 378 L CB -1.062 41.018 42.059 0.035 0.000 0.894 378 L HN 0.215 nan 8.230 nan 0.000 0.432 379 A N -0.846 121.990 122.820 0.025 0.000 1.908 379 A HA -0.246 4.055 4.320 -0.030 0.000 0.218 379 A C 2.332 179.926 177.584 0.017 0.000 1.181 379 A CA 1.816 53.864 52.037 0.017 0.000 0.627 379 A CB -0.812 18.204 19.000 0.027 0.000 0.818 379 A HN 0.591 nan 8.150 nan 0.000 0.445 380 E N -0.142 120.075 120.200 0.028 0.000 2.110 380 E HA -0.195 4.137 4.350 -0.030 0.000 0.193 380 E C 2.040 178.654 176.600 0.024 0.000 0.988 380 E CA 0.857 57.276 56.400 0.032 0.000 0.804 380 E CB -0.203 29.521 29.700 0.042 0.000 0.745 380 E HN 0.369 nan 8.360 nan 0.000 0.458 381 R N 0.289 120.802 120.500 0.022 0.000 2.148 381 R HA -0.031 4.291 4.340 -0.030 0.000 0.223 381 R C 2.298 178.597 176.300 -0.002 0.000 1.088 381 R CA 0.723 56.831 56.100 0.013 0.000 0.985 381 R CB -0.288 30.024 30.300 0.021 0.000 0.880 381 R HN 0.403 nan 8.270 nan 0.000 0.451 382 Q N -0.113 119.686 119.800 -0.002 0.000 2.172 382 Q HA 0.012 4.334 4.340 -0.030 0.000 0.200 382 Q C 2.125 178.101 176.000 -0.040 0.000 0.964 382 Q CA 0.887 56.679 55.803 -0.017 0.000 0.855 382 Q CB 0.006 28.733 28.738 -0.017 0.000 0.918 382 Q HN 0.291 nan 8.270 nan 0.000 0.444 383 I N 0.985 121.537 120.570 -0.029 0.000 2.202 383 I HA -0.273 3.879 4.170 -0.030 0.000 0.242 383 I C 2.150 178.242 176.117 -0.041 0.000 1.091 383 I CA 1.064 62.343 61.300 -0.035 0.000 1.368 383 I CB -0.251 37.749 38.000 0.001 0.000 1.058 383 I HN 0.238 nan 8.210 nan 0.000 0.410 384 N N 0.995 119.682 118.700 -0.023 0.000 2.149 384 N HA -0.252 4.470 4.740 -0.030 0.000 0.188 384 N C 1.924 177.379 175.510 -0.092 0.000 1.019 384 N CA 1.376 54.408 53.050 -0.030 0.000 0.857 384 N CB -0.061 38.422 38.487 -0.006 0.000 0.997 384 N HN 0.033 nan 8.380 nan 0.000 0.426 385 R N -0.059 120.382 120.500 -0.099 0.000 2.083 385 R HA -0.073 4.248 4.340 -0.030 0.000 0.237 385 R C 1.986 178.166 176.300 -0.202 0.000 1.137 385 R CA 1.729 57.737 56.100 -0.152 0.000 0.951 385 R CB -0.537 29.699 30.300 -0.106 0.000 0.851 385 R HN 0.336 nan 8.270 nan 0.000 0.434 386 V N -1.961 117.856 119.914 -0.162 0.000 3.129 386 V HA 0.060 4.162 4.120 -0.030 0.000 0.259 386 V C 1.750 177.714 176.094 -0.217 0.000 1.116 386 V CA 1.123 63.316 62.300 -0.179 0.000 1.127 386 V CB -0.372 31.360 31.823 -0.151 0.000 0.742 386 V HN 0.196 nan 8.190 nan 0.000 0.474 387 L N 0.254 121.345 121.223 -0.219 0.000 2.375 387 L HA 0.249 4.570 4.340 -0.030 0.000 0.215 387 L C 1.092 177.594 176.870 -0.614 0.000 1.108 387 L CA 0.359 55.022 54.840 -0.295 0.000 0.830 387 L CB -0.342 41.667 42.059 -0.083 0.000 0.959 387 L HN 0.345 nan 8.230 nan 0.000 0.457 388 N N 1.421 119.847 118.700 -0.457 0.000 2.420 388 N HA 0.035 4.756 4.740 -0.030 0.000 0.249 388 N C 1.212 176.460 175.510 -0.437 0.000 1.033 388 N CA -0.150 52.603 53.050 -0.495 0.000 0.944 388 N CB 1.113 39.432 38.487 -0.280 0.000 1.113 388 N HN 0.229 nan 8.380 nan 0.000 0.502 389 R N 3.090 123.285 120.500 -0.509 0.000 2.170 389 R HA -0.142 4.180 4.340 -0.030 0.000 0.242 389 R C 0.665 176.824 176.300 -0.234 0.000 1.145 389 R CA 1.523 57.410 56.100 -0.355 0.000 0.984 389 R CB -0.547 29.552 30.300 -0.334 0.000 0.869 389 R HN 0.650 nan 8.270 nan 0.000 0.455 390 H N -0.159 118.795 119.070 -0.193 0.000 2.524 390 H HA 0.118 4.656 4.556 -0.030 0.000 0.282 390 H C 1.449 176.632 175.328 -0.241 0.000 1.016 390 H CA 0.922 56.876 56.048 -0.156 0.000 1.270 390 H CB 0.259 29.955 29.762 -0.111 0.000 1.394 390 H HN 0.194 nan 8.280 nan 0.000 0.568 391 L N -0.844 120.231 121.223 -0.247 0.000 2.766 391 L HA 0.050 4.372 4.340 -0.030 0.000 0.241 391 L C 2.291 178.637 176.870 -0.873 0.000 1.080 391 L CA 0.342 54.880 54.840 -0.503 0.000 0.909 391 L CB 0.111 41.953 42.059 -0.361 0.000 1.277 391 L HN 0.158 nan 8.230 nan 0.000 0.510 392 S N -0.369 115.007 115.700 -0.540 0.000 2.440 392 S HA -0.229 4.223 4.470 -0.030 0.000 0.238 392 S C 0.372 174.791 174.600 -0.302 0.000 1.010 392 S CA 0.517 58.465 58.200 -0.421 0.000 0.972 392 S CB -0.541 62.511 63.200 -0.248 0.000 0.774 392 S HN 0.439 nan 8.310 nan 0.000 0.501 393 Y N 0.492 120.744 120.300 -0.081 0.000 3.081 393 Y HA 0.041 4.573 4.550 -0.030 0.000 0.167 393 Y C 1.356 177.234 175.900 -0.037 0.000 1.809 393 Y CA 0.327 58.393 58.100 -0.056 0.000 1.121 393 Y CB -2.059 36.364 38.460 -0.063 0.000 1.518 393 Y HN 0.631 nan 8.280 nan 0.000 0.409 394 G N -1.436 107.405 108.800 0.068 0.000 2.234 394 G HA2 -0.293 3.649 3.960 -0.030 0.000 0.235 394 G HA3 -0.293 3.649 3.960 -0.030 0.000 0.235 394 G C 0.201 175.102 174.900 0.002 0.000 0.997 394 G CA -0.166 44.959 45.100 0.041 0.000 0.623 394 G HN 0.524 nan 8.290 nan 0.000 0.514 395 L N 3.089 124.297 121.223 -0.026 0.000 2.436 395 L HA 0.411 4.733 4.340 -0.030 0.000 0.265 395 L C -1.070 175.757 176.870 -0.071 0.000 1.168 395 L CA -1.848 52.962 54.840 -0.049 0.000 0.815 395 L CB 0.564 42.579 42.059 -0.073 0.000 1.109 395 L HN 0.049 nan 8.230 nan 0.000 0.462 396 P HA 0.018 nan 4.420 nan 0.000 0.272 396 P C -0.975 176.272 177.300 -0.088 0.000 1.223 396 P CA -0.515 62.558 63.100 -0.045 0.000 0.784 396 P CB 0.368 32.065 31.700 -0.005 0.000 0.923 397 E N 2.609 122.752 120.200 -0.094 0.000 2.558 397 E HA -0.118 4.214 4.350 -0.030 0.000 0.255 397 E C -0.231 176.343 176.600 -0.044 0.000 0.968 397 E CA -0.148 56.130 56.400 -0.204 0.000 0.939 397 E CB -0.452 29.208 29.700 -0.067 0.000 0.921 397 E HN 0.451 nan 8.360 nan 0.000 0.477 398 F N 1.354 121.282 119.950 -0.037 0.000 3.100 398 F HA -0.276 4.232 4.527 -0.031 0.000 0.284 398 F C 0.879 176.703 175.800 0.040 0.000 0.875 398 F CA 0.790 58.790 58.000 0.001 0.000 1.039 398 F CB -1.944 37.068 39.000 0.020 0.000 1.111 398 F HN 0.582 nan 8.300 nan 0.000 0.575 399 L N -2.350 118.904 121.223 0.051 0.000 3.717 399 L HA -0.272 4.050 4.340 -0.030 0.000 0.414 399 L C 0.092 177.043 176.870 0.134 0.000 1.228 399 L CA 0.019 54.881 54.840 0.037 0.000 0.918 399 L CB -1.944 40.062 42.059 -0.089 0.000 1.865 399 L HN 0.093 nan 8.230 nan 0.000 0.922 400 V N 0.480 120.478 119.914 0.140 0.000 2.470 400 V HA 0.073 4.175 4.120 -0.030 0.000 0.276 400 V C 1.570 177.702 176.094 0.062 0.000 1.040 400 V CA 0.840 63.216 62.300 0.127 0.000 1.008 400 V CB 1.586 33.493 31.823 0.141 0.000 0.990 400 V HN 0.576 nan 8.190 nan 0.000 0.477 401 S N 3.298 119.017 115.700 0.032 0.000 2.446 401 S HA 0.097 4.549 4.470 -0.030 0.000 0.225 401 S C 1.192 175.773 174.600 -0.031 0.000 1.016 401 S CA 0.399 58.601 58.200 0.003 0.000 0.943 401 S CB 0.140 63.343 63.200 0.005 0.000 0.786 401 S HN 0.819 nan 8.310 nan 0.000 0.508 402 G N 1.268 110.016 108.800 -0.087 0.000 3.365 402 G HA2 0.343 4.285 3.960 -0.030 0.000 0.185 402 G HA3 0.343 4.285 3.960 -0.030 0.000 0.185 402 G C -1.001 173.893 174.900 -0.009 0.000 1.565 402 G CA -0.458 44.581 45.100 -0.102 0.000 0.984 402 G HN 0.312 nan 8.290 nan 0.000 0.604 403 D N 2.520 122.951 120.400 0.052 0.000 2.380 403 D HA 0.293 4.915 4.640 -0.030 0.000 0.230 403 D C -2.062 174.338 176.300 0.167 0.000 1.154 403 D CA -0.850 53.222 54.000 0.120 0.000 0.859 403 D CB 1.654 42.539 40.800 0.143 0.000 1.045 403 D HN 0.054 nan 8.370 nan 0.000 0.495 404 P HA 0.043 nan 4.420 nan 0.000 0.270 404 P C 0.971 178.331 177.300 0.099 0.000 1.223 404 P CA 0.284 63.460 63.100 0.127 0.000 0.785 404 P CB 1.204 32.974 31.700 0.116 0.000 0.923 405 G N 1.071 109.916 108.800 0.075 0.000 4.526 405 G HA2 -0.363 3.579 3.960 -0.030 0.000 0.217 405 G HA3 -0.363 3.579 3.960 -0.030 0.000 0.217 405 G C 0.820 175.721 174.900 0.003 0.000 1.428 405 G CA 0.397 45.516 45.100 0.032 0.000 0.928 405 G HN 0.576 nan 8.290 nan 0.000 0.639 406 L N 2.007 123.237 121.223 0.012 0.000 2.083 406 L HA 0.301 4.622 4.340 -0.030 0.000 0.209 406 L C 1.059 177.793 176.870 -0.226 0.000 1.083 406 L CA 2.179 56.971 54.840 -0.080 0.000 0.752 406 L CB -0.519 41.524 42.059 -0.026 0.000 0.899 406 L HN 0.604 nan 8.230 nan 0.000 0.433 407 H N -2.188 116.888 119.070 0.009 0.000 2.524 407 H HA 0.418 4.956 4.556 -0.031 0.000 0.353 407 H C 0.789 176.118 175.328 0.002 0.000 1.136 407 H CA 0.002 56.054 56.048 0.007 0.000 1.193 407 H CB 1.708 31.484 29.762 0.023 0.000 1.558 407 H HN -0.153 nan 8.280 nan 0.000 0.515 408 S N 1.528 117.273 115.700 0.076 0.000 2.511 408 S HA 0.188 4.639 4.470 -0.030 0.000 0.214 408 S C 1.543 176.169 174.600 0.044 0.000 0.997 408 S CA 0.338 58.532 58.200 -0.009 0.000 0.908 408 S CB 0.299 63.438 63.200 -0.102 0.000 0.803 408 S HN 1.084 nan 8.310 nan 0.000 0.504 409 G N 2.068 110.927 108.800 0.100 0.000 2.602 409 G HA2 -0.347 3.595 3.960 -0.030 0.000 0.310 409 G HA3 -0.347 3.595 3.960 -0.030 0.000 0.310 409 G C 0.391 175.324 174.900 0.056 0.000 1.183 409 G CA 0.726 45.915 45.100 0.147 0.000 0.979 409 G HN 0.471 nan 8.290 nan 0.000 0.545 410 F N 3.190 123.163 119.950 0.037 0.000 2.693 410 F HA 0.501 5.009 4.527 -0.031 0.000 0.303 410 F C 2.565 178.322 175.800 -0.073 0.000 1.097 410 F CA 0.931 58.928 58.000 -0.006 0.000 1.330 410 F CB 0.265 39.280 39.000 0.025 0.000 1.067 410 F HN 0.574 nan 8.300 nan 0.000 0.565 411 A N 0.451 123.258 122.820 -0.022 0.000 1.873 411 A HA -0.178 4.124 4.320 -0.030 0.000 0.218 411 A C 2.549 179.778 177.584 -0.592 0.000 1.193 411 A CA 2.082 53.914 52.037 -0.343 0.000 0.629 411 A CB -1.393 17.222 19.000 -0.642 0.000 0.826 411 A HN 0.412 nan 8.150 nan 0.000 0.447 412 G N -1.218 107.323 108.800 -0.432 0.000 2.484 412 G HA2 0.144 4.086 3.960 -0.030 0.000 0.218 412 G HA3 0.144 4.086 3.960 -0.030 0.000 0.218 412 G C 1.511 176.171 174.900 -0.399 0.000 1.130 412 G CA 1.123 45.956 45.100 -0.445 0.000 0.784 412 G HN 0.822 nan 8.290 nan 0.000 0.543 413 A N 0.140 122.785 122.820 -0.292 0.000 2.066 413 A HA 0.050 4.352 4.320 -0.030 0.000 0.218 413 A C 2.149 179.671 177.584 -0.103 0.000 1.157 413 A CA 1.635 53.575 52.037 -0.161 0.000 0.670 413 A CB -0.265 18.661 19.000 -0.124 0.000 0.804 413 A HN 0.472 nan 8.150 nan 0.000 0.453 414 Q N -1.283 118.389 119.800 -0.213 0.000 2.119 414 Q HA -0.203 4.119 4.340 -0.030 0.000 0.201 414 Q C 1.536 177.525 176.000 -0.018 0.000 0.972 414 Q CA 1.581 57.319 55.803 -0.108 0.000 0.847 414 Q CB -0.300 28.372 28.738 -0.110 0.000 0.903 414 Q HN 0.678 nan 8.270 nan 0.000 0.433 415 Y N 1.121 121.439 120.300 0.029 0.000 2.114 415 Y HA -0.172 4.358 4.550 -0.033 0.000 0.282 415 Y C -0.495 175.411 175.900 0.010 0.000 1.165 415 Y CA 1.159 59.266 58.100 0.011 0.000 1.148 415 Y CB -2.104 36.350 38.460 -0.010 0.000 0.972 415 Y HN 0.356 nan 8.280 nan 0.000 0.504 416 P HA -0.134 nan 4.420 nan 0.000 0.218 416 P C 1.319 178.663 177.300 0.074 0.000 1.149 416 P CA 2.123 65.273 63.100 0.083 0.000 0.817 416 P CB -0.062 31.663 31.700 0.042 0.000 0.785 417 A N 0.068 122.932 122.820 0.075 0.000 1.873 417 A HA -0.099 4.203 4.320 -0.030 0.000 0.215 417 A C 2.364 179.993 177.584 0.074 0.000 1.186 417 A CA 2.227 54.305 52.037 0.068 0.000 0.616 417 A CB -1.820 17.219 19.000 0.064 0.000 0.823 417 A HN 0.170 nan 8.150 nan 0.000 0.442 418 T N 0.497 115.110 114.554 0.099 0.000 2.746 418 T HA -0.035 4.297 4.350 -0.030 0.000 0.267 418 T C 2.199 176.944 174.700 0.075 0.000 1.039 418 T CA 1.594 63.752 62.100 0.097 0.000 1.142 418 T CB -0.461 68.492 68.868 0.141 0.000 0.866 418 T HN 0.577 nan 8.240 nan 0.000 0.444 419 A N 1.012 123.879 122.820 0.078 0.000 1.972 419 A HA 0.049 4.351 4.320 -0.030 0.000 0.219 419 A C 2.262 179.872 177.584 0.043 0.000 1.169 419 A CA 1.087 53.155 52.037 0.052 0.000 0.635 419 A CB -0.768 18.262 19.000 0.050 0.000 0.810 419 A HN 0.484 nan 8.150 nan 0.000 0.446 420 L N -0.812 120.439 121.223 0.047 0.000 2.217 420 L HA -0.099 4.222 4.340 -0.030 0.000 0.211 420 L C 2.419 179.313 176.870 0.040 0.000 1.107 420 L CA 0.510 55.375 54.840 0.041 0.000 0.783 420 L CB -0.308 41.777 42.059 0.043 0.000 0.919 420 L HN 0.238 nan 8.230 nan 0.000 0.442 421 V N 0.053 119.993 119.914 0.043 0.000 2.358 421 V HA -0.275 3.827 4.120 -0.030 0.000 0.246 421 V C 2.737 178.852 176.094 0.035 0.000 1.047 421 V CA 1.817 64.141 62.300 0.040 0.000 1.035 421 V CB -0.733 31.115 31.823 0.042 0.000 0.658 421 V HN 0.476 nan 8.190 nan 0.000 0.452 422 A N -0.466 122.374 122.820 0.033 0.000 1.902 422 A HA -0.285 4.016 4.320 -0.030 0.000 0.217 422 A C 2.265 179.864 177.584 0.026 0.000 1.181 422 A CA 2.093 54.146 52.037 0.027 0.000 0.623 422 A CB -0.532 18.483 19.000 0.024 0.000 0.818 422 A HN 0.620 nan 8.150 nan 0.000 0.443 423 E N -0.146 120.070 120.200 0.026 0.000 2.077 423 E HA -0.212 4.120 4.350 -0.030 0.000 0.193 423 E C 1.676 178.293 176.600 0.028 0.000 0.989 423 E CA 1.282 57.697 56.400 0.025 0.000 0.800 423 E CB -0.112 29.603 29.700 0.024 0.000 0.746 423 E HN 0.562 nan 8.360 nan 0.000 0.452 424 N N 0.558 119.277 118.700 0.032 0.000 2.223 424 N HA -0.123 4.599 4.740 -0.030 0.000 0.185 424 N C 1.531 177.062 175.510 0.035 0.000 1.016 424 N CA 0.847 53.918 53.050 0.035 0.000 0.863 424 N CB -0.199 38.311 38.487 0.038 0.000 0.983 424 N HN 0.161 nan 8.380 nan 0.000 0.429 425 R N 0.056 120.576 120.500 0.032 0.000 2.285 425 R HA -0.004 4.318 4.340 -0.030 0.000 0.213 425 R C 1.482 177.799 176.300 0.029 0.000 1.068 425 R CA 1.189 57.307 56.100 0.031 0.000 1.004 425 R CB -0.150 30.166 30.300 0.028 0.000 0.873 425 R HN 0.356 nan 8.270 nan 0.000 0.467 426 T N -2.219 112.351 114.554 0.027 0.000 3.107 426 T HA 0.210 4.542 4.350 -0.030 0.000 0.249 426 T C 0.714 175.431 174.700 0.028 0.000 1.096 426 T CA -0.028 62.087 62.100 0.025 0.000 1.012 426 T CB 0.020 68.900 68.868 0.020 0.000 0.977 426 T HN -0.020 nan 8.240 nan 0.000 0.527 427 I N 2.542 123.132 120.570 0.033 0.000 2.301 427 I HA 0.491 4.643 4.170 -0.030 0.000 0.292 427 I C 1.002 177.147 176.117 0.045 0.000 1.046 427 I CA -0.846 60.477 61.300 0.038 0.000 1.282 427 I CB 0.821 38.845 38.000 0.040 0.000 1.409 427 I HN 0.227 nan 8.210 nan 0.000 0.484 428 G N 6.612 115.440 108.800 0.045 0.000 2.462 428 G HA2 0.575 4.517 3.960 -0.030 0.000 0.319 428 G HA3 0.575 4.517 3.960 -0.030 0.000 0.319 428 G C -2.694 172.246 174.900 0.065 0.000 1.171 428 G CA -1.378 43.754 45.100 0.054 0.000 0.920 428 G HN 0.315 nan 8.290 nan 0.000 0.499 429 P HA 0.253 nan 4.420 nan 0.000 0.265 429 P C 0.320 177.672 177.300 0.087 0.000 1.193 429 P CA 0.167 63.327 63.100 0.101 0.000 0.765 429 P CB 1.452 33.230 31.700 0.131 0.000 0.823 430 A N 2.269 125.137 122.820 0.080 0.000 2.085 430 A HA -0.012 4.290 4.320 -0.030 0.000 0.208 430 A C 1.938 179.561 177.584 0.065 0.000 1.191 430 A CA 0.880 52.954 52.037 0.062 0.000 0.799 430 A CB -1.011 18.015 19.000 0.044 0.000 0.877 430 A HN 0.522 nan 8.150 nan 0.000 0.473 431 S N 0.476 116.227 115.700 0.085 0.000 2.493 431 S HA -0.145 4.306 4.470 -0.030 0.000 0.243 431 S C 1.541 176.210 174.600 0.115 0.000 0.991 431 S CA 1.877 60.120 58.200 0.072 0.000 0.957 431 S CB -0.997 62.278 63.200 0.125 0.000 0.756 431 S HN 0.732 nan 8.310 nan 0.000 0.521 432 T N -2.611 112.032 114.554 0.148 0.000 3.069 432 T HA 0.250 4.582 4.350 -0.030 0.000 0.252 432 T C 1.040 175.798 174.700 0.096 0.000 1.053 432 T CA -0.322 61.867 62.100 0.148 0.000 0.964 432 T CB 0.004 68.968 68.868 0.160 0.000 1.005 432 T HN 0.197 nan 8.240 nan 0.000 0.532 433 Q N 2.124 121.968 119.800 0.074 0.000 2.244 433 Q HA 0.306 4.627 4.340 -0.030 0.000 0.239 433 Q C 0.457 176.485 176.000 0.046 0.000 0.890 433 Q CA -0.073 55.764 55.803 0.056 0.000 0.964 433 Q CB 0.168 28.934 28.738 0.047 0.000 1.076 433 Q HN 0.534 nan 8.270 nan 0.000 0.447 434 S N 0.242 115.973 115.700 0.051 0.000 2.558 434 S HA 0.141 4.593 4.470 -0.030 0.000 0.291 434 S C -0.029 174.596 174.600 0.042 0.000 1.306 434 S CA -0.171 58.056 58.200 0.046 0.000 1.056 434 S CB 0.402 63.640 63.200 0.063 0.000 0.836 434 S HN 0.121 nan 8.310 nan 0.000 0.504 435 V N 7.982 127.916 119.914 0.034 0.000 2.525 435 V HA 0.453 4.555 4.120 -0.030 0.000 0.299 435 V C -2.019 174.094 176.094 0.031 0.000 1.034 435 V CA -1.606 60.713 62.300 0.031 0.000 0.863 435 V CB 1.851 33.688 31.823 0.023 0.000 0.999 435 V HN 0.875 nan 8.190 nan 0.000 0.423 436 P HA 0.273 nan 4.420 nan 0.000 0.268 436 P C -0.439 176.879 177.300 0.030 0.000 1.205 436 P CA 0.319 63.440 63.100 0.036 0.000 0.771 436 P CB 1.283 33.006 31.700 0.038 0.000 0.858 437 S N 0.852 116.570 115.700 0.031 0.000 2.752 437 S HA 0.419 4.871 4.470 -0.030 0.000 0.284 437 S C -0.228 174.393 174.600 0.034 0.000 1.189 437 S CA -0.728 57.488 58.200 0.027 0.000 0.835 437 S CB 0.571 63.781 63.200 0.017 0.000 1.192 437 S HN 0.440 nan 8.310 nan 0.000 0.506 438 N N 0.195 118.916 118.700 0.034 0.000 2.708 438 N HA -0.090 4.632 4.740 -0.030 0.000 0.255 438 N C 0.706 176.254 175.510 0.062 0.000 1.046 438 N CA 1.910 54.989 53.050 0.049 0.000 0.715 438 N CB -1.486 37.034 38.487 0.054 0.000 0.895 438 N HN 2.211 nan 8.380 nan 0.000 0.545 439 G N 0.975 109.810 108.800 0.057 0.000 2.321 439 G HA2 -0.303 3.639 3.960 -0.030 0.000 0.287 439 G HA3 -0.303 3.639 3.960 -0.030 0.000 0.287 439 G C 0.437 175.372 174.900 0.058 0.000 1.018 439 G CA 0.628 45.765 45.100 0.062 0.000 0.855 439 G HN 0.818 nan 8.290 nan 0.000 0.507 440 D N -2.223 118.207 120.400 0.050 0.000 3.028 440 D HA -0.212 4.410 4.640 -0.030 0.000 0.207 440 D C 1.274 177.607 176.300 0.054 0.000 1.100 440 D CA 1.517 55.545 54.000 0.048 0.000 0.995 440 D CB -1.311 39.514 40.800 0.042 0.000 1.108 440 D HN 0.666 nan 8.370 nan 0.000 0.421 441 N N 0.700 119.437 118.700 0.061 0.000 2.142 441 N HA -0.135 4.587 4.740 -0.030 0.000 0.186 441 N C 0.529 176.075 175.510 0.061 0.000 1.023 441 N CA 1.326 54.413 53.050 0.061 0.000 0.852 441 N CB 0.165 38.692 38.487 0.066 0.000 0.998 441 N HN 0.307 nan 8.380 nan 0.000 0.424 442 Q N 0.462 120.294 119.800 0.055 0.000 2.901 442 Q HA 0.080 4.402 4.340 -0.030 0.000 0.265 442 Q C -0.606 175.433 176.000 0.064 0.000 1.263 442 Q CA -0.261 55.577 55.803 0.059 0.000 1.088 442 Q CB 0.668 29.423 28.738 0.028 0.000 1.339 442 Q HN 0.507 nan 8.270 nan 0.000 0.546 443 D N -0.758 119.687 120.400 0.075 0.000 2.355 443 D HA -0.020 4.602 4.640 -0.030 0.000 0.218 443 D C 0.257 176.605 176.300 0.081 0.000 1.004 443 D CA 0.200 54.240 54.000 0.067 0.000 0.880 443 D CB 0.473 41.307 40.800 0.058 0.000 0.911 443 D HN 0.073 nan 8.370 nan 0.000 0.528 444 V N 1.455 121.439 119.914 0.117 0.000 2.509 444 V HA 0.340 4.442 4.120 -0.030 0.000 0.289 444 V C -0.107 176.141 176.094 0.258 0.000 1.026 444 V CA -0.986 61.407 62.300 0.156 0.000 0.872 444 V CB 1.798 33.706 31.823 0.141 0.000 1.017 444 V HN 0.167 nan 8.190 nan 0.000 0.436 445 V N 2.082 122.079 119.914 0.138 0.000 3.166 445 V HA 0.807 4.909 4.120 -0.030 0.000 0.317 445 V C 0.918 177.015 176.094 0.006 0.000 1.136 445 V CA 0.267 62.559 62.300 -0.014 0.000 1.035 445 V CB 2.045 33.835 31.823 -0.055 0.000 1.110 445 V HN 0.773 nan 8.190 nan 0.000 0.450 446 S N -0.395 115.228 115.700 -0.128 0.000 2.505 446 S HA 0.124 4.576 4.470 -0.030 0.000 0.216 446 S C 1.127 175.695 174.600 -0.054 0.000 1.018 446 S CA 0.569 58.733 58.200 -0.059 0.000 0.911 446 S CB -0.220 62.931 63.200 -0.083 0.000 0.818 446 S HN 1.047 nan 8.310 nan 0.000 0.497 447 M N 0.782 120.353 119.600 -0.047 0.000 2.703 447 M HA -0.171 4.291 4.480 -0.030 0.000 0.186 447 M C 1.153 177.445 176.300 -0.013 0.000 0.582 447 M CA 0.847 56.137 55.300 -0.017 0.000 0.578 447 M CB -2.651 29.951 32.600 0.004 0.000 2.115 447 M HN 0.576 nan 8.290 nan 0.000 0.611 448 G N 0.094 108.874 108.800 -0.033 0.000 2.475 448 G HA2 -0.114 3.828 3.960 -0.030 0.000 0.220 448 G HA3 -0.114 3.828 3.960 -0.030 0.000 0.220 448 G C 1.314 176.217 174.900 0.003 0.000 1.125 448 G CA 1.115 46.199 45.100 -0.027 0.000 0.755 448 G HN 0.477 nan 8.290 nan 0.000 0.565 449 L N 0.576 121.812 121.223 0.022 0.000 2.156 449 L HA 0.225 4.547 4.340 -0.030 0.000 0.208 449 L C 2.589 179.503 176.870 0.072 0.000 1.095 449 L CA 0.963 55.839 54.840 0.061 0.000 0.770 449 L CB -0.270 41.845 42.059 0.093 0.000 0.914 449 L HN 0.271 nan 8.230 nan 0.000 0.439 450 I N -1.499 119.100 120.570 0.047 0.000 2.252 450 I HA -0.258 3.894 4.170 -0.030 0.000 0.245 450 I C 2.330 178.473 176.117 0.044 0.000 1.102 450 I CA 1.127 62.453 61.300 0.042 0.000 1.385 450 I CB -0.484 37.534 38.000 0.029 0.000 1.064 450 I HN 0.143 nan 8.210 nan 0.000 0.414 451 S N 0.987 116.707 115.700 0.035 0.000 2.370 451 S HA -0.201 4.251 4.470 -0.030 0.000 0.226 451 S C 2.263 176.887 174.600 0.040 0.000 1.033 451 S CA 1.495 59.715 58.200 0.033 0.000 1.011 451 S CB -0.395 62.812 63.200 0.012 0.000 0.852 451 S HN 0.559 nan 8.310 nan 0.000 0.457 452 A N 1.626 124.472 122.820 0.043 0.000 1.930 452 A HA -0.044 4.257 4.320 -0.030 0.000 0.217 452 A C 2.144 179.774 177.584 0.076 0.000 1.175 452 A CA 1.055 53.123 52.037 0.052 0.000 0.627 452 A CB -0.375 18.653 19.000 0.047 0.000 0.815 452 A HN 0.388 nan 8.150 nan 0.000 0.443 453 R N -0.518 120.036 120.500 0.090 0.000 2.148 453 R HA -0.052 4.270 4.340 -0.030 0.000 0.223 453 R C 1.634 177.971 176.300 0.062 0.000 1.088 453 R CA 1.071 57.227 56.100 0.093 0.000 0.985 453 R CB -0.245 30.106 30.300 0.085 0.000 0.880 453 R HN 0.471 nan 8.270 nan 0.000 0.451 454 N N 1.056 119.789 118.700 0.055 0.000 2.106 454 N HA -0.115 4.607 4.740 -0.030 0.000 0.188 454 N C 1.650 177.193 175.510 0.054 0.000 1.029 454 N CA 1.545 54.624 53.050 0.049 0.000 0.848 454 N CB -0.324 38.193 38.487 0.051 0.000 1.007 454 N HN 0.177 nan 8.380 nan 0.000 0.423 455 A N 1.172 124.027 122.820 0.059 0.000 1.902 455 A HA -0.145 4.157 4.320 -0.030 0.000 0.217 455 A C 2.237 179.856 177.584 0.059 0.000 1.181 455 A CA 1.404 53.477 52.037 0.061 0.000 0.623 455 A CB -0.524 18.513 19.000 0.061 0.000 0.818 455 A HN 0.278 nan 8.150 nan 0.000 0.443 456 R N -0.459 120.079 120.500 0.062 0.000 2.096 456 R HA -0.155 4.167 4.340 -0.030 0.000 0.235 456 R C 2.420 178.752 176.300 0.054 0.000 1.127 456 R CA 1.676 57.814 56.100 0.063 0.000 0.968 456 R CB -0.298 30.050 30.300 0.080 0.000 0.861 456 R HN 0.562 nan 8.270 nan 0.000 0.440 457 R N 0.064 120.594 120.500 0.050 0.000 2.073 457 R HA -0.093 4.229 4.340 -0.030 0.000 0.234 457 R C 2.090 178.415 176.300 0.042 0.000 1.134 457 R CA 1.715 57.840 56.100 0.041 0.000 0.952 457 R CB -0.165 30.156 30.300 0.034 0.000 0.850 457 R HN 0.142 nan 8.270 nan 0.000 0.433 458 V N 1.529 121.470 119.914 0.045 0.000 2.343 458 V HA -0.238 3.864 4.120 -0.030 0.000 0.247 458 V C 2.310 178.432 176.094 0.047 0.000 1.051 458 V CA 1.553 63.881 62.300 0.046 0.000 1.036 458 V CB -0.533 31.320 31.823 0.050 0.000 0.654 458 V HN 0.355 nan 8.190 nan 0.000 0.451 459 L N 0.236 121.489 121.223 0.050 0.000 2.012 459 L HA -0.186 4.136 4.340 -0.030 0.000 0.210 459 L C 2.644 179.544 176.870 0.049 0.000 1.073 459 L CA 2.571 57.441 54.840 0.051 0.000 0.748 459 L CB -0.752 41.339 42.059 0.052 0.000 0.891 459 L HN 0.325 nan 8.230 nan 0.000 0.431 460 S N -0.610 115.118 115.700 0.046 0.000 2.368 460 S HA -0.180 4.272 4.470 -0.030 0.000 0.225 460 S C 1.874 176.498 174.600 0.041 0.000 1.030 460 S CA 1.514 59.739 58.200 0.042 0.000 0.999 460 S CB -0.465 62.758 63.200 0.038 0.000 0.844 460 S HN 0.640 nan 8.310 nan 0.000 0.459 461 N N 2.220 120.945 118.700 0.040 0.000 2.188 461 N HA -0.014 4.708 4.740 -0.030 0.000 0.184 461 N C 1.451 176.988 175.510 0.045 0.000 1.018 461 N CA 1.022 54.096 53.050 0.040 0.000 0.858 461 N CB -0.912 37.598 38.487 0.038 0.000 0.989 461 N HN 0.414 nan 8.380 nan 0.000 0.426 462 N N 1.388 120.117 118.700 0.048 0.000 2.223 462 N HA -0.073 4.649 4.740 -0.030 0.000 0.185 462 N C 1.167 176.713 175.510 0.060 0.000 1.016 462 N CA 0.602 53.684 53.050 0.053 0.000 0.863 462 N CB -0.430 38.089 38.487 0.054 0.000 0.983 462 N HN 0.268 nan 8.380 nan 0.000 0.429 463 N N 0.900 119.633 118.700 0.056 0.000 2.223 463 N HA -0.084 4.638 4.740 -0.030 0.000 0.185 463 N C 1.369 176.913 175.510 0.057 0.000 1.016 463 N CA 0.767 53.851 53.050 0.057 0.000 0.863 463 N CB 0.030 38.547 38.487 0.050 0.000 0.983 463 N HN 0.287 nan 8.380 nan 0.000 0.429 464 K N 0.810 121.241 120.400 0.052 0.000 2.103 464 K HA 0.076 4.378 4.320 -0.030 0.000 0.204 464 K C 2.146 178.782 176.600 0.060 0.000 1.052 464 K CA 0.368 56.685 56.287 0.050 0.000 0.945 464 K CB -0.225 32.299 32.500 0.041 0.000 0.722 464 K HN 0.264 nan 8.250 nan 0.000 0.443 465 I N 1.200 121.806 120.570 0.061 0.000 2.202 465 I HA -0.253 3.899 4.170 -0.030 0.000 0.242 465 I C 2.315 178.479 176.117 0.078 0.000 1.091 465 I CA 1.060 62.398 61.300 0.064 0.000 1.368 465 I CB -0.301 37.733 38.000 0.057 0.000 1.058 465 I HN 0.011 nan 8.210 nan 0.000 0.410 466 L N 0.499 121.778 121.223 0.093 0.000 2.131 466 L HA -0.179 4.143 4.340 -0.030 0.000 0.210 466 L C 2.864 179.850 176.870 0.193 0.000 1.092 466 L CA 1.110 56.039 54.840 0.147 0.000 0.759 466 L CB -0.720 41.443 42.059 0.173 0.000 0.903 466 L HN 0.236 nan 8.230 nan 0.000 0.435 467 A N -0.084 122.806 122.820 0.118 0.000 1.883 467 A HA -0.180 4.122 4.320 -0.030 0.000 0.217 467 A C 2.322 179.989 177.584 0.138 0.000 1.186 467 A CA 2.057 54.155 52.037 0.101 0.000 0.624 467 A CB -0.890 18.153 19.000 0.072 0.000 0.822 467 A HN 0.200 nan 8.150 nan 0.000 0.444 468 V N -0.100 119.887 119.914 0.122 0.000 2.407 468 V HA -0.248 3.854 4.120 -0.030 0.000 0.248 468 V C 2.481 178.651 176.094 0.126 0.000 1.055 468 V CA 2.244 64.631 62.300 0.145 0.000 1.049 468 V CB -0.705 31.186 31.823 0.114 0.000 0.662 468 V HN 0.761 nan 8.190 nan 0.000 0.455 469 E N -0.739 119.511 120.200 0.083 0.000 2.072 469 E HA -0.224 4.108 4.350 -0.030 0.000 0.191 469 E C 2.177 178.749 176.600 -0.046 0.000 0.985 469 E CA 1.380 57.778 56.400 -0.003 0.000 0.801 469 E CB -0.181 29.497 29.700 -0.035 0.000 0.750 469 E HN 0.686 nan 8.360 nan 0.000 0.452 470 Y N 0.614 120.847 120.300 -0.112 0.000 2.224 470 Y HA -0.176 4.356 4.550 -0.030 0.000 0.289 470 Y C 2.153 178.003 175.900 -0.083 0.000 1.146 470 Y CA 1.184 59.178 58.100 -0.178 0.000 1.182 470 Y CB -0.055 38.188 38.460 -0.362 0.000 0.983 470 Y HN 0.084 nan 8.280 nan 0.000 0.524 471 L N -1.329 119.991 121.223 0.162 0.000 2.056 471 L HA -0.203 4.118 4.340 -0.030 0.000 0.207 471 L C 2.638 179.500 176.870 -0.014 0.000 1.078 471 L CA 1.051 56.011 54.840 0.199 0.000 0.749 471 L CB -0.778 41.513 42.059 0.386 0.000 0.901 471 L HN 0.195 nan 8.230 nan 0.000 0.433 472 A N -0.043 122.663 122.820 -0.190 0.000 1.930 472 A HA -0.129 4.173 4.320 -0.030 0.000 0.217 472 A C 2.518 179.901 177.584 -0.336 0.000 1.175 472 A CA 1.592 53.282 52.037 -0.579 0.000 0.627 472 A CB -0.618 18.152 19.000 -0.384 0.000 0.815 472 A HN 0.392 nan 8.150 nan 0.000 0.443 473 A N -0.004 122.706 122.820 -0.184 0.000 1.877 473 A HA 0.157 4.459 4.320 -0.030 0.000 0.216 473 A C 2.525 180.096 177.584 -0.022 0.000 1.186 473 A CA 2.132 54.096 52.037 -0.122 0.000 0.620 473 A CB -1.083 17.822 19.000 -0.160 0.000 0.822 473 A HN 1.049 nan 8.150 nan 0.000 0.443 474 A N -0.972 121.873 122.820 0.041 0.000 1.902 474 A HA -0.196 4.106 4.320 -0.030 0.000 0.217 474 A C 2.158 179.853 177.584 0.184 0.000 1.181 474 A CA 2.154 54.315 52.037 0.207 0.000 0.623 474 A CB -0.538 18.514 19.000 0.086 0.000 0.818 474 A HN 0.558 nan 8.150 nan 0.000 0.443 475 Q N -0.020 119.790 119.800 0.017 0.000 2.124 475 Q HA -0.044 4.278 4.340 -0.030 0.000 0.202 475 Q C 1.990 177.973 176.000 -0.028 0.000 0.977 475 Q CA 2.162 57.957 55.803 -0.014 0.000 0.850 475 Q CB -0.607 27.989 28.738 -0.237 0.000 0.901 475 Q HN 0.553 nan 8.270 nan 0.000 0.429 476 A N -0.639 122.130 122.820 -0.085 0.000 1.933 476 A HA -0.112 4.190 4.320 -0.030 0.000 0.218 476 A C 2.251 179.830 177.584 -0.008 0.000 1.175 476 A CA 1.561 53.559 52.037 -0.065 0.000 0.628 476 A CB -0.725 18.220 19.000 -0.091 0.000 0.814 476 A HN 0.278 nan 8.150 nan 0.000 0.444 477 V N 0.472 120.407 119.914 0.036 0.000 2.358 477 V HA -0.221 3.881 4.120 -0.030 0.000 0.246 477 V C 2.178 178.289 176.094 0.028 0.000 1.047 477 V CA 2.225 64.542 62.300 0.027 0.000 1.035 477 V CB -0.726 31.120 31.823 0.039 0.000 0.658 477 V HN 0.491 nan 8.190 nan 0.000 0.452 478 D N 0.138 120.597 120.400 0.097 0.000 2.097 478 D HA -0.103 4.519 4.640 -0.030 0.000 0.195 478 D C 2.075 178.402 176.300 0.044 0.000 0.989 478 D CA 1.419 55.472 54.000 0.088 0.000 0.827 478 D CB -0.158 40.730 40.800 0.146 0.000 0.966 478 D HN 0.388 nan 8.370 nan 0.000 0.456 479 I N 1.054 121.644 120.570 0.034 0.000 2.394 479 I HA -0.205 3.947 4.170 -0.030 0.000 0.251 479 I C 2.209 178.332 176.117 0.009 0.000 1.136 479 I CA 1.043 62.354 61.300 0.018 0.000 1.425 479 I CB -0.163 37.841 38.000 0.007 0.000 1.079 479 I HN -0.017 nan 8.210 nan 0.000 0.425 480 S N 0.219 115.922 115.700 0.004 0.000 2.528 480 S HA 0.168 4.620 4.470 -0.030 0.000 0.219 480 S C 1.652 176.254 174.600 0.003 0.000 0.985 480 S CA 0.329 58.530 58.200 0.001 0.000 0.914 480 S CB 0.213 63.411 63.200 -0.004 0.000 0.776 480 S HN 0.548 nan 8.310 nan 0.000 0.526 481 G N 1.930 110.734 108.800 0.007 0.000 2.273 481 G HA2 -0.289 3.653 3.960 -0.030 0.000 0.280 481 G HA3 -0.289 3.653 3.960 -0.030 0.000 0.280 481 G C 0.469 175.374 174.900 0.010 0.000 1.047 481 G CA 0.345 45.451 45.100 0.011 0.000 0.869 481 G HN 0.575 nan 8.290 nan 0.000 0.502 482 R N -1.243 119.255 120.500 -0.003 0.000 2.427 482 R HA 0.304 4.626 4.340 -0.030 0.000 0.262 482 R C 1.851 178.119 176.300 -0.054 0.000 0.943 482 R CA -0.149 55.935 56.100 -0.026 0.000 1.081 482 R CB -0.073 30.204 30.300 -0.038 0.000 1.166 482 R HN 0.416 nan 8.270 nan 0.000 0.534 483 F N 2.140 121.975 119.950 -0.192 0.000 2.091 483 F HA -0.260 4.249 4.527 -0.031 0.000 0.299 483 F C 1.531 177.236 175.800 -0.158 0.000 1.103 483 F CA 1.799 59.638 58.000 -0.268 0.000 1.228 483 F CB 0.134 38.916 39.000 -0.364 0.000 0.984 483 F HN 0.006 nan 8.300 nan 0.000 0.477 484 D N -0.195 120.153 120.400 -0.086 0.000 2.309 484 D HA -0.079 4.543 4.640 -0.030 0.000 0.212 484 D C 2.224 178.410 176.300 -0.190 0.000 0.968 484 D CA 1.233 55.146 54.000 -0.145 0.000 0.882 484 D CB -0.580 40.225 40.800 0.009 0.000 0.918 484 D HN 0.487 nan 8.370 nan 0.000 0.503 485 G N -0.163 108.533 108.800 -0.174 0.000 2.939 485 G HA2 0.117 4.059 3.960 -0.030 0.000 0.210 485 G HA3 0.117 4.059 3.960 -0.030 0.000 0.210 485 G C 0.807 175.602 174.900 -0.175 0.000 1.160 485 G CA -0.283 44.733 45.100 -0.139 0.000 0.770 485 G HN 0.155 nan 8.290 nan 0.000 0.543 486 L N 2.144 123.203 121.223 -0.273 0.000 2.461 486 L HA 0.230 4.552 4.340 -0.030 0.000 0.272 486 L C 1.375 178.112 176.870 -0.222 0.000 1.197 486 L CA -0.529 54.156 54.840 -0.259 0.000 0.836 486 L CB 0.958 42.798 42.059 -0.364 0.000 1.105 486 L HN 0.236 nan 8.230 nan 0.000 0.477 487 S N 1.966 117.576 115.700 -0.151 0.000 2.626 487 S HA 0.209 4.661 4.470 -0.030 0.000 0.257 487 S C -1.904 172.631 174.600 -0.108 0.000 1.288 487 S CA -1.024 57.109 58.200 -0.112 0.000 0.980 487 S CB 0.693 63.843 63.200 -0.083 0.000 0.975 487 S HN 0.410 nan 8.310 nan 0.000 0.577 488 P HA 0.007 nan 4.420 nan 0.000 0.216 488 P C 1.634 178.926 177.300 -0.014 0.000 1.153 488 P CA 1.940 65.014 63.100 -0.043 0.000 0.848 488 P CB -0.302 31.384 31.700 -0.024 0.000 0.787 489 A N -0.088 122.726 122.820 -0.011 0.000 1.902 489 A HA -0.117 4.185 4.320 -0.030 0.000 0.217 489 A C 2.299 179.903 177.584 0.034 0.000 1.181 489 A CA 2.094 54.141 52.037 0.018 0.000 0.623 489 A CB -1.620 17.382 19.000 0.003 0.000 0.818 489 A HN 0.180 nan 8.150 nan 0.000 0.443 490 A N -0.052 122.764 122.820 -0.007 0.000 1.877 490 A HA -0.163 4.139 4.320 -0.030 0.000 0.216 490 A C 2.105 179.727 177.584 0.064 0.000 1.186 490 A CA 1.787 53.827 52.037 0.005 0.000 0.620 490 A CB -0.457 18.507 19.000 -0.060 0.000 0.822 490 A HN 0.540 nan 8.150 nan 0.000 0.443 491 K N -0.262 120.126 120.400 -0.020 0.000 2.103 491 K HA -0.098 4.204 4.320 -0.030 0.000 0.207 491 K C 2.291 179.053 176.600 0.270 0.000 1.048 491 K CA 1.153 57.463 56.287 0.039 0.000 0.930 491 K CB -0.340 32.064 32.500 -0.160 0.000 0.716 491 K HN 0.453 nan 8.250 nan 0.000 0.444 492 A N 1.048 123.973 122.820 0.175 0.000 1.902 492 A HA -0.145 4.157 4.320 -0.030 0.000 0.217 492 A C 2.247 179.980 177.584 0.248 0.000 1.181 492 A CA 1.979 54.130 52.037 0.189 0.000 0.623 492 A CB -0.914 18.163 19.000 0.129 0.000 0.818 492 A HN 0.248 nan 8.150 nan 0.000 0.443 493 T N -1.465 113.245 114.554 0.260 0.000 2.708 493 T HA -0.175 4.157 4.350 -0.030 0.000 0.266 493 T C 1.800 176.719 174.700 0.364 0.000 1.037 493 T CA 1.649 63.955 62.100 0.343 0.000 1.146 493 T CB -0.486 68.524 68.868 0.236 0.000 0.865 493 T HN 0.573 nan 8.240 nan 0.000 0.435 494 Y N 2.196 122.628 120.300 0.220 0.000 2.128 494 Y HA -0.190 4.343 4.550 -0.029 0.000 0.284 494 Y C 2.329 178.370 175.900 0.234 0.000 1.154 494 Y CA 1.644 59.883 58.100 0.231 0.000 1.149 494 Y CB -0.302 38.334 38.460 0.294 0.000 0.976 494 Y HN 0.288 nan 8.280 nan 0.000 0.505 495 E N 0.104 120.482 120.200 0.297 0.000 2.110 495 E HA -0.203 4.129 4.350 -0.030 0.000 0.193 495 E C 2.375 179.009 176.600 0.057 0.000 0.988 495 E CA 0.822 57.303 56.400 0.135 0.000 0.804 495 E CB -0.341 29.498 29.700 0.232 0.000 0.745 495 E HN 0.611 nan 8.360 nan 0.000 0.458 496 A N 1.217 124.123 122.820 0.145 0.000 1.877 496 A HA -0.163 4.139 4.320 -0.030 0.000 0.216 496 A C 2.561 180.230 177.584 0.141 0.000 1.186 496 A CA 1.360 53.462 52.037 0.108 0.000 0.620 496 A CB -0.794 18.309 19.000 0.172 0.000 0.822 496 A HN 0.115 nan 8.150 nan 0.000 0.443 497 V N 0.156 120.247 119.914 0.296 0.000 2.287 497 V HA -0.238 3.864 4.120 -0.030 0.000 0.248 497 V C 2.685 178.788 176.094 0.015 0.000 1.053 497 V CA 2.087 64.522 62.300 0.225 0.000 1.027 497 V CB -0.815 31.110 31.823 0.169 0.000 0.646 497 V HN 0.438 nan 8.190 nan 0.000 0.447 498 R N -0.272 120.138 120.500 -0.151 0.000 2.189 498 R HA -0.051 4.270 4.340 -0.030 0.000 0.223 498 R C 2.303 178.552 176.300 -0.084 0.000 1.092 498 R CA 0.868 56.853 56.100 -0.192 0.000 0.989 498 R CB -0.731 29.333 30.300 -0.393 0.000 0.876 498 R HN 0.473 nan 8.270 nan 0.000 0.457 499 R N 0.460 120.928 120.500 -0.053 0.000 2.152 499 R HA -0.054 4.268 4.340 -0.030 0.000 0.232 499 R C 1.818 178.102 176.300 -0.026 0.000 1.117 499 R CA 1.064 57.143 56.100 -0.034 0.000 0.981 499 R CB 0.049 30.328 30.300 -0.035 0.000 0.870 499 R HN 0.150 nan 8.270 nan 0.000 0.451 500 L N -0.805 120.410 121.223 -0.014 0.000 2.269 500 L HA 0.162 4.484 4.340 -0.030 0.000 0.200 500 L C 0.165 177.042 176.870 0.011 0.000 1.069 500 L CA 0.211 55.050 54.840 -0.001 0.000 0.804 500 L CB 0.507 42.575 42.059 0.015 0.000 0.987 500 L HN -0.153 nan 8.230 nan 0.000 0.468 501 V N 0.560 120.486 119.914 0.019 0.000 2.588 501 V HA 0.396 4.498 4.120 -0.030 0.000 0.304 501 V C -2.325 173.777 176.094 0.013 0.000 1.042 501 V CA -1.581 60.735 62.300 0.027 0.000 0.877 501 V CB 1.868 33.725 31.823 0.056 0.000 0.996 501 V HN -0.041 nan 8.190 nan 0.000 0.425 502 P HA 0.215 nan 4.420 nan 0.000 0.274 502 P C -0.029 177.298 177.300 0.045 0.000 1.256 502 P CA -0.140 62.969 63.100 0.016 0.000 0.795 502 P CB 0.421 32.131 31.700 0.017 0.000 1.038 503 T N 1.004 115.589 114.554 0.051 0.000 2.906 503 T HA 0.047 4.379 4.350 -0.030 0.000 0.320 503 T C 0.358 175.116 174.700 0.096 0.000 1.088 503 T CA 0.154 62.309 62.100 0.092 0.000 1.120 503 T CB -0.144 68.776 68.868 0.086 0.000 1.000 503 T HN 0.259 nan 8.240 nan 0.000 0.550 504 L N 3.330 124.641 121.223 0.147 0.000 2.282 504 L HA 0.502 4.824 4.340 -0.030 0.000 0.287 504 L C 0.878 177.792 176.870 0.073 0.000 1.075 504 L CA 0.184 55.095 54.840 0.118 0.000 0.839 504 L CB -0.119 42.059 42.059 0.199 0.000 1.219 504 L HN 0.751 nan 8.230 nan 0.000 0.434 505 G N 4.178 112.996 108.800 0.029 0.000 2.583 505 G HA2 0.180 4.121 3.960 -0.030 0.000 0.215 505 G HA3 0.180 4.121 3.960 -0.030 0.000 0.215 505 G C 0.309 175.166 174.900 -0.072 0.000 1.481 505 G CA 0.508 45.599 45.100 -0.015 0.000 0.948 505 G HN 0.636 nan 8.290 nan 0.000 0.511 506 V N -0.873 119.010 119.914 -0.051 0.000 2.904 506 V HA 0.411 4.513 4.120 -0.030 0.000 0.305 506 V C -0.379 175.782 176.094 0.111 0.000 1.067 506 V CA -1.297 60.986 62.300 -0.029 0.000 1.044 506 V CB 1.197 33.095 31.823 0.124 0.000 1.050 506 V HN 0.277 nan 8.190 nan 0.000 0.475 507 D N 2.471 123.057 120.400 0.309 0.000 2.443 507 D HA 0.339 4.961 4.640 -0.030 0.000 0.234 507 D C 0.371 176.714 176.300 0.072 0.000 1.172 507 D CA 0.708 54.795 54.000 0.146 0.000 0.878 507 D CB 0.370 41.245 40.800 0.125 0.000 1.204 507 D HN 0.891 nan 8.370 nan 0.000 0.453 508 R N 0.216 120.727 120.500 0.018 0.000 2.712 508 R HA 0.242 4.563 4.340 -0.030 0.000 0.272 508 R C -1.059 175.268 176.300 0.045 0.000 1.032 508 R CA -1.033 55.093 56.100 0.042 0.000 0.874 508 R CB 0.280 30.606 30.300 0.042 0.000 1.256 508 R HN 0.279 nan 8.270 nan 0.000 0.468 509 Y N 2.464 122.736 120.300 -0.046 0.000 2.881 509 Y HA -0.077 4.454 4.550 -0.032 0.000 0.335 509 Y C 0.786 176.646 175.900 -0.067 0.000 1.263 509 Y CA 0.761 58.832 58.100 -0.048 0.000 1.572 509 Y CB 0.650 39.090 38.460 -0.032 0.000 1.237 509 Y HN 0.595 nan 8.280 nan 0.000 0.568 510 M N 4.750 124.170 119.600 -0.300 0.000 2.567 510 M HA 0.088 4.550 4.480 -0.030 0.000 0.261 510 M C 2.167 178.331 176.300 -0.227 0.000 1.180 510 M CA 0.986 56.141 55.300 -0.241 0.000 1.143 510 M CB -1.203 31.228 32.600 -0.283 0.000 1.319 510 M HN 0.827 nan 8.290 nan 0.000 0.490 511 A N 1.458 124.020 122.820 -0.429 0.000 1.903 511 A HA -0.225 4.076 4.320 -0.030 0.000 0.219 511 A C 1.834 179.405 177.584 -0.022 0.000 1.191 511 A CA 2.320 54.209 52.037 -0.247 0.000 0.638 511 A CB -0.781 18.003 19.000 -0.361 0.000 0.823 511 A HN 0.403 nan 8.150 nan 0.000 0.451 512 D N -0.062 120.413 120.400 0.126 0.000 2.117 512 D HA -0.108 4.514 4.640 -0.030 0.000 0.198 512 D C 1.418 177.759 176.300 0.069 0.000 0.982 512 D CA 1.393 55.474 54.000 0.135 0.000 0.828 512 D CB -0.473 40.435 40.800 0.180 0.000 0.967 512 D HN 0.411 nan 8.370 nan 0.000 0.464 513 D N 0.473 120.903 120.400 0.050 0.000 2.097 513 D HA -0.087 4.535 4.640 -0.030 0.000 0.195 513 D C 2.315 178.636 176.300 0.035 0.000 0.989 513 D CA 0.467 54.488 54.000 0.035 0.000 0.827 513 D CB -0.276 40.531 40.800 0.011 0.000 0.966 513 D HN 0.278 nan 8.370 nan 0.000 0.456 514 I N 0.777 121.355 120.570 0.012 0.000 2.226 514 I HA -0.204 3.948 4.170 -0.030 0.000 0.245 514 I C 2.445 178.582 176.117 0.034 0.000 1.100 514 I CA 1.004 62.319 61.300 0.025 0.000 1.374 514 I CB -0.242 37.757 38.000 -0.003 0.000 1.057 514 I HN 0.014 nan 8.210 nan 0.000 0.413 515 E N 1.040 121.257 120.200 0.027 0.000 2.106 515 E HA -0.245 4.086 4.350 -0.030 0.000 0.192 515 E C 2.233 178.854 176.600 0.034 0.000 0.984 515 E CA 0.955 57.373 56.400 0.031 0.000 0.806 515 E CB 0.089 29.809 29.700 0.033 0.000 0.750 515 E HN 0.273 nan 8.360 nan 0.000 0.458 516 L N 0.286 121.531 121.223 0.037 0.000 2.017 516 L HA -0.153 4.169 4.340 -0.030 0.000 0.208 516 L C 2.257 179.150 176.870 0.039 0.000 1.073 516 L CA 1.325 56.184 54.840 0.032 0.000 0.745 516 L CB -0.378 41.701 42.059 0.032 0.000 0.894 516 L HN 0.024 nan 8.230 nan 0.000 0.432 517 V N -0.440 119.513 119.914 0.064 0.000 2.548 517 V HA -0.182 3.920 4.120 -0.030 0.000 0.249 517 V C 2.684 178.828 176.094 0.083 0.000 1.055 517 V CA 1.268 63.630 62.300 0.103 0.000 1.065 517 V CB -1.113 30.782 31.823 0.120 0.000 0.681 517 V HN 0.554 nan 8.190 nan 0.000 0.462 518 A N -0.119 122.734 122.820 0.056 0.000 1.902 518 A HA -0.240 4.061 4.320 -0.030 0.000 0.217 518 A C 2.028 179.635 177.584 0.037 0.000 1.181 518 A CA 1.958 54.023 52.037 0.046 0.000 0.623 518 A CB -0.528 18.495 19.000 0.040 0.000 0.818 518 A HN 0.510 nan 8.150 nan 0.000 0.443 519 D N -0.039 120.377 120.400 0.027 0.000 2.144 519 D HA -0.021 4.601 4.640 -0.030 0.000 0.200 519 D C 2.241 178.539 176.300 -0.005 0.000 0.978 519 D CA 1.366 55.373 54.000 0.012 0.000 0.833 519 D CB -0.323 40.480 40.800 0.005 0.000 0.961 519 D HN 0.417 nan 8.370 nan 0.000 0.470 520 A N 0.719 123.531 122.820 -0.012 0.000 1.902 520 A HA -0.115 4.186 4.320 -0.030 0.000 0.217 520 A C 2.399 179.953 177.584 -0.049 0.000 1.181 520 A CA 0.837 52.824 52.037 -0.084 0.000 0.623 520 A CB -0.743 18.164 19.000 -0.156 0.000 0.818 520 A HN 0.188 nan 8.150 nan 0.000 0.443 521 L N 0.456 121.714 121.223 0.059 0.000 2.046 521 L HA -0.199 4.123 4.340 -0.030 0.000 0.208 521 L C 3.044 179.943 176.870 0.049 0.000 1.077 521 L CA 1.649 56.543 54.840 0.089 0.000 0.747 521 L CB -0.482 41.613 42.059 0.060 0.000 0.896 521 L HN 0.617 nan 8.230 nan 0.000 0.432 522 S N 0.764 116.483 115.700 0.032 0.000 2.419 522 S HA -0.224 4.228 4.470 -0.030 0.000 0.233 522 S C 1.775 176.385 174.600 0.016 0.000 1.016 522 S CA 1.120 59.337 58.200 0.028 0.000 0.974 522 S CB -0.492 62.723 63.200 0.025 0.000 0.786 522 S HN 0.603 nan 8.310 nan 0.000 0.492 523 R N 0.721 121.219 120.500 -0.003 0.000 2.388 523 R HA 0.479 4.801 4.340 -0.030 0.000 0.247 523 R C 1.190 177.477 176.300 -0.021 0.000 0.931 523 R CA 0.220 56.312 56.100 -0.014 0.000 1.082 523 R CB -0.783 29.499 30.300 -0.030 0.000 1.135 523 R HN 0.392 nan 8.270 nan 0.000 0.525 524 G N 2.056 110.853 108.800 -0.004 0.000 2.249 524 G HA2 -0.366 3.576 3.960 -0.030 0.000 0.273 524 G HA3 -0.366 3.576 3.960 -0.030 0.000 0.273 524 G C 0.552 175.425 174.900 -0.046 0.000 1.036 524 G CA 0.691 45.795 45.100 0.007 0.000 0.824 524 G HN 0.522 nan 8.290 nan 0.000 0.504 525 E N -0.574 119.534 120.200 -0.154 0.000 2.153 525 E HA -0.014 4.318 4.350 -0.030 0.000 0.194 525 E C 1.934 178.293 176.600 -0.400 0.000 0.988 525 E CA 1.622 57.826 56.400 -0.327 0.000 0.811 525 E CB -0.290 29.092 29.700 -0.529 0.000 0.746 525 E HN 0.621 nan 8.360 nan 0.000 0.466 526 F N -0.189 119.727 119.950 -0.057 0.000 2.367 526 F HA 0.090 4.598 4.527 -0.033 0.000 0.298 526 F C 1.908 177.735 175.800 0.045 0.000 1.094 526 F CA 0.559 58.557 58.000 -0.003 0.000 1.409 526 F CB -0.173 38.809 39.000 -0.031 0.000 1.064 526 F HN 0.010 nan 8.300 nan 0.000 0.528 527 L N -0.519 120.804 121.223 0.166 0.000 2.156 527 L HA -0.122 4.200 4.340 -0.030 0.000 0.208 527 L C 2.422 179.331 176.870 0.065 0.000 1.095 527 L CA 1.078 55.989 54.840 0.118 0.000 0.770 527 L CB -0.475 41.640 42.059 0.093 0.000 0.914 527 L HN 0.050 nan 8.230 nan 0.000 0.439 528 R N 0.003 120.516 120.500 0.021 0.000 2.062 528 R HA -0.044 4.277 4.340 -0.030 0.000 0.229 528 R C 2.518 178.820 176.300 0.004 0.000 1.128 528 R CA 1.144 57.242 56.100 -0.004 0.000 0.960 528 R CB -0.471 29.802 30.300 -0.045 0.000 0.855 528 R HN 0.290 nan 8.270 nan 0.000 0.432 529 A N 1.531 124.351 122.820 -0.001 0.000 1.917 529 A HA -0.184 4.118 4.320 -0.030 0.000 0.219 529 A C 2.148 179.770 177.584 0.063 0.000 1.182 529 A CA 1.413 53.467 52.037 0.028 0.000 0.633 529 A CB -0.593 18.441 19.000 0.058 0.000 0.819 529 A HN 0.204 nan 8.150 nan 0.000 0.448 530 I N -0.595 120.026 120.570 0.085 0.000 2.394 530 I HA -0.242 3.910 4.170 -0.030 0.000 0.251 530 I C 2.910 179.057 176.117 0.049 0.000 1.136 530 I CA 0.911 62.257 61.300 0.076 0.000 1.425 530 I CB -0.337 37.714 38.000 0.086 0.000 1.079 530 I HN 0.388 nan 8.210 nan 0.000 0.425 531 A N 1.158 124.003 122.820 0.042 0.000 1.930 531 A HA -0.220 4.082 4.320 -0.030 0.000 0.217 531 A C 2.442 180.040 177.584 0.023 0.000 1.175 531 A CA 1.715 53.769 52.037 0.029 0.000 0.627 531 A CB -0.511 18.503 19.000 0.024 0.000 0.815 531 A HN 0.463 nan 8.150 nan 0.000 0.443 532 R N -1.201 119.312 120.500 0.022 0.000 2.173 532 R HA 0.040 4.362 4.340 -0.030 0.000 0.208 532 R C 0.997 177.311 176.300 0.024 0.000 1.035 532 R CA 1.225 57.336 56.100 0.018 0.000 1.004 532 R CB -0.015 30.290 30.300 0.009 0.000 0.917 532 R HN 0.326 nan 8.270 nan 0.000 0.462 533 E N 0.715 120.935 120.200 0.033 0.000 2.473 533 E HA 0.058 4.389 4.350 -0.030 0.000 0.204 533 E C 0.223 176.844 176.600 0.035 0.000 0.994 533 E CA 0.730 57.153 56.400 0.039 0.000 0.945 533 E CB 1.352 31.086 29.700 0.056 0.000 0.990 533 E HN 0.458 nan 8.360 nan 0.000 0.493 534 T N -2.373 112.200 114.554 0.031 0.000 2.864 534 T HA 0.356 4.688 4.350 -0.030 0.000 0.289 534 T C 0.069 174.780 174.700 0.018 0.000 1.082 534 T CA -0.759 61.355 62.100 0.023 0.000 1.009 534 T CB 1.830 70.712 68.868 0.024 0.000 1.234 534 T HN -0.337 nan 8.240 nan 0.000 0.526 535 D N 0.345 120.753 120.400 0.013 0.000 2.342 535 D HA 0.273 4.895 4.640 -0.030 0.000 0.221 535 D C 0.293 176.599 176.300 0.011 0.000 1.101 535 D CA -0.004 54.003 54.000 0.011 0.000 0.837 535 D CB 0.167 40.971 40.800 0.008 0.000 0.938 535 D HN 0.522 nan 8.370 nan 0.000 0.508 536 I N 1.324 121.902 120.570 0.013 0.000 2.496 536 I HA 0.019 4.171 4.170 -0.030 0.000 0.285 536 I C 0.555 176.682 176.117 0.017 0.000 1.080 536 I CA 0.157 61.465 61.300 0.013 0.000 1.404 536 I CB 0.682 38.689 38.000 0.013 0.000 1.403 536 I HN -0.371 nan 8.210 nan 0.000 0.539 537 Q N 7.008 126.817 119.800 0.016 0.000 2.456 537 Q HA 0.447 4.769 4.340 -0.030 0.000 0.252 537 Q C -1.001 175.012 176.000 0.022 0.000 1.042 537 Q CA -0.539 55.276 55.803 0.019 0.000 0.766 537 Q CB 1.795 30.542 28.738 0.015 0.000 1.196 537 Q HN 0.563 nan 8.270 nan 0.000 0.504 538 L N 2.327 123.567 121.223 0.029 0.000 2.426 538 L HA 0.288 4.610 4.340 -0.030 0.000 0.271 538 L C 0.804 177.699 176.870 0.041 0.000 1.169 538 L CA -0.029 54.832 54.840 0.035 0.000 0.836 538 L CB 0.335 42.420 42.059 0.044 0.000 1.112 538 L HN 0.416 nan 8.230 nan 0.000 0.465 539 R N 0.000 120.528 120.500 0.047 0.000 2.786 539 R HA 0.000 4.322 4.340 -0.030 0.000 0.208 539 R CA 0.000 56.137 56.100 0.062 0.000 0.921 539 R CB 0.000 30.340 30.300 0.066 0.000 0.687 539 R HN 0.000 nan 8.270 nan 0.000 0.535