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 1t6p_1_G DATA FIRST_RESID 27 DATA SEQUENCE STNLAVAGSH LPTTQVTQVD IVEKXLAAPT DSTLELDGYS LNLGDVVSAA DATA SEQUENCE RKGRPVRVKD SDEIRSKIDK SVEFLRSQXX XXXXXXXXXX XXXXXXXXED DATA SEQUENCE AISLQKALLE HQLCGVLPSS FDSFRLGRGL ENSLPLEVVR GAXTIRVNSL DATA SEQUENCE TRGHSAVRLV VLEALTNFLN HGITPIVPLR GTISXXXDLS PLSYIAAAIS DATA SEQUENCE GHPDSKVHVV HEGKEKILYA REAXALFNLE PVVLGPKEGL GLVNGTAVSA DATA SEQUENCE SXATLALHDA HXLSLLSQSL TAXTVEAXVG HAGSFHPFLH DVTRPHPTQI DATA SEQUENCE EVAGNIRKLL EGSRFAVHHE XXXXXXXXXX XXRQDRYPLR TSPQWLGPLV DATA SEQUENCE SDLIHAHAVL TIEAGQSTTD NPLIDVENKT SHHGGNFQAA AVANTXEKTR DATA SEQUENCE LGLAQIGKLN FTQLTEXLNA GXNRGLPSCL AAEDPSLSYH CKGLDIAAAA DATA SEQUENCE YTSELGHLAN PVTTHVQPAE XANQAVNSLA LISARRTTES NDVLSLLLAT DATA SEQUENCE HLYCVLQAID LRAIEFEFKK QFGPAIVSLI DQHFGSAXTG SNLRDELVEK DATA SEQUENCE VNKTLAKRLE QTNSYDLVPR WHDAFSFAAG TVVEVLSSTS LSLAAVNAWK DATA SEQUENCE VAAAESAISL TRQVRETFWS AASTSSPALS YLSPRTQILY AFVREELGVK DATA SEQUENCE ARRGDVFLGK QEVTIGSNVS KIYEAIKSGR INNVLLKXLA 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 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.619 174.600 0.031 0.000 1.055 27 S CA 0.000 58.221 58.200 0.035 0.000 1.107 27 S CB 0.000 63.220 63.200 0.033 0.000 0.593 28 T N 0.653 115.221 114.554 0.024 0.000 3.058 28 T HA 0.317 4.667 4.350 0.000 0.000 0.278 28 T C 0.836 175.547 174.700 0.019 0.000 0.974 28 T CA 0.561 62.673 62.100 0.020 0.000 0.893 28 T CB -0.214 68.660 68.868 0.010 0.000 1.138 28 T HN 0.263 nan 8.240 nan 0.000 0.529 29 N N 1.432 120.144 118.700 0.020 0.000 2.513 29 N HA 0.016 4.756 4.740 0.000 0.000 0.187 29 N C 1.502 177.020 175.510 0.014 0.000 1.056 29 N CA 0.663 53.722 53.050 0.015 0.000 0.907 29 N CB -0.161 38.334 38.487 0.014 0.000 0.954 29 N HN 0.319 nan 8.380 nan 0.000 0.445 30 L N -2.548 118.690 121.223 0.026 0.000 4.423 30 L HA -0.368 3.972 4.340 0.000 0.000 0.380 30 L C 1.281 178.158 176.870 0.011 0.000 0.737 30 L CA 1.694 56.550 54.840 0.026 0.000 2.597 30 L CB -1.967 40.101 42.059 0.015 0.000 0.969 30 L HN 0.287 nan 8.230 nan 0.000 0.664 31 A N -1.225 121.593 122.820 -0.004 0.000 2.067 31 A HA 0.113 4.433 4.320 0.000 0.000 0.217 31 A C 1.930 179.498 177.584 -0.026 0.000 1.156 31 A CA 1.697 53.711 52.037 -0.038 0.000 0.683 31 A CB 0.030 19.008 19.000 -0.036 0.000 0.808 31 A HN 0.382 nan 8.150 nan 0.000 0.455 32 V N -1.975 117.966 119.914 0.045 0.000 3.621 32 V HA 0.409 4.529 4.120 0.000 0.000 0.263 32 V C 1.961 178.192 176.094 0.229 0.000 1.272 32 V CA 1.355 63.732 62.300 0.128 0.000 1.080 32 V CB 0.454 32.325 31.823 0.081 0.000 0.816 32 V HN 0.461 nan 8.190 nan 0.000 0.451 33 A N -0.654 122.260 122.820 0.156 0.000 2.140 33 A HA 0.648 4.968 4.320 0.000 0.000 0.209 33 A C 1.530 179.240 177.584 0.211 0.000 1.181 33 A CA 1.108 53.233 52.037 0.147 0.000 0.824 33 A CB -0.289 18.762 19.000 0.085 0.000 0.879 33 A HN 1.468 nan 8.150 nan 0.000 0.480 34 G N -0.932 107.987 108.800 0.197 0.000 2.593 34 G HA2 0.148 4.108 3.960 0.000 0.000 0.237 34 G HA3 0.148 4.108 3.960 0.000 0.000 0.237 34 G C -0.028 174.928 174.900 0.093 0.000 1.312 34 G CA 0.306 45.496 45.100 0.150 0.000 0.896 34 G HN 1.899 nan 8.290 nan 0.000 0.574 35 S N -1.296 114.444 115.700 0.066 0.000 2.542 35 S HA 0.584 5.054 4.470 0.000 0.000 0.276 35 S C -1.126 173.511 174.600 0.062 0.000 1.148 35 S CA -0.100 58.162 58.200 0.103 0.000 0.886 35 S CB 1.191 64.442 63.200 0.085 0.000 1.109 35 S HN 1.209 nan 8.310 nan 0.000 0.458 36 H N 2.993 122.049 119.070 -0.023 0.000 2.527 36 H HA 0.800 5.356 4.556 0.000 0.000 0.321 36 H C 0.078 175.477 175.328 0.118 0.000 1.087 36 H CA 0.134 56.198 56.048 0.028 0.000 1.337 36 H CB 0.610 30.358 29.762 -0.024 0.000 1.440 36 H HN 0.756 nan 8.280 nan 0.000 0.490 37 L N 1.547 122.945 121.223 0.292 0.000 0.584 37 L HA -0.228 4.112 4.340 0.000 0.000 0.356 37 L C -1.718 175.225 176.870 0.123 0.000 1.004 37 L CA -0.867 54.073 54.840 0.167 0.000 1.223 37 L CB -0.581 41.555 42.059 0.128 0.000 0.012 37 L HN 0.548 nan 8.230 nan 0.000 0.091 38 P HA -0.160 nan 4.420 nan 0.000 0.207 38 P C 0.107 177.444 177.300 0.062 0.000 0.926 38 P CA 2.196 65.342 63.100 0.077 0.000 0.982 38 P CB -0.124 31.622 31.700 0.078 0.000 0.686 39 T N -4.963 109.620 114.554 0.047 0.000 0.542 39 T HA -0.150 4.200 4.350 0.000 0.000 0.774 39 T C 0.149 174.867 174.700 0.029 0.000 0.992 39 T CA 0.726 62.846 62.100 0.034 0.000 4.076 39 T CB -2.148 66.741 68.868 0.036 0.000 2.303 39 T HN 0.225 nan 8.240 nan 0.000 0.398 40 T N 3.262 117.828 114.554 0.020 0.000 3.273 40 T HA 0.224 4.575 4.350 0.000 0.000 0.254 40 T C 1.396 176.101 174.700 0.009 0.000 1.002 40 T CA 0.066 62.175 62.100 0.015 0.000 0.913 40 T CB 0.026 68.902 68.868 0.014 0.000 1.056 40 T HN 0.749 nan 8.240 nan 0.000 0.576 41 Q N 0.672 120.478 119.800 0.010 0.000 2.247 41 Q HA 0.385 4.725 4.340 0.000 0.000 0.204 41 Q C -0.246 175.753 176.000 -0.002 0.000 0.872 41 Q CA -0.065 55.741 55.803 0.004 0.000 0.951 41 Q CB 1.075 29.818 28.738 0.008 0.000 1.099 41 Q HN 0.292 nan 8.270 nan 0.000 0.501 42 V N 0.500 120.411 119.914 -0.005 0.000 2.882 42 V HA 0.323 4.443 4.120 0.000 0.000 0.295 42 V C -0.970 175.106 176.094 -0.030 0.000 1.273 42 V CA -0.397 61.890 62.300 -0.021 0.000 0.949 42 V CB 2.192 34.004 31.823 -0.018 0.000 1.071 42 V HN 0.307 nan 8.190 nan 0.000 0.432 43 T N 1.828 116.352 114.554 -0.050 0.000 2.940 43 T HA 0.408 4.758 4.350 0.000 0.000 0.288 43 T C 0.665 175.305 174.700 -0.100 0.000 1.045 43 T CA 0.056 62.122 62.100 -0.056 0.000 1.018 43 T CB 1.927 70.766 68.868 -0.048 0.000 1.151 43 T HN 0.721 nan 8.240 nan 0.000 0.529 44 Q N -0.276 119.468 119.800 -0.093 0.000 2.167 44 Q HA -0.060 4.280 4.340 0.000 0.000 0.202 44 Q C 2.015 177.908 176.000 -0.178 0.000 0.970 44 Q CA 1.231 56.946 55.803 -0.146 0.000 0.855 44 Q CB -0.296 28.406 28.738 -0.059 0.000 0.911 44 Q HN 0.657 nan 8.270 nan 0.000 0.438 45 V N 1.427 121.270 119.914 -0.119 0.000 2.427 45 V HA -0.248 3.872 4.120 0.000 0.000 0.248 45 V C 1.586 177.606 176.094 -0.123 0.000 1.051 45 V CA 1.936 64.169 62.300 -0.112 0.000 1.048 45 V CB -0.498 31.278 31.823 -0.078 0.000 0.666 45 V HN 0.393 nan 8.190 nan 0.000 0.456 46 D N 0.279 120.609 120.400 -0.117 0.000 2.084 46 D HA -0.133 4.507 4.640 0.000 0.000 0.194 46 D C 2.109 178.319 176.300 -0.149 0.000 0.990 46 D CA 1.414 55.349 54.000 -0.107 0.000 0.826 46 D CB -0.277 40.472 40.800 -0.086 0.000 0.971 46 D HN 0.380 nan 8.370 nan 0.000 0.453 47 I N 0.719 121.151 120.570 -0.231 0.000 2.163 47 I HA -0.252 3.918 4.170 0.000 0.000 0.243 47 I C 2.475 178.398 176.117 -0.323 0.000 1.085 47 I CA 0.792 61.878 61.300 -0.357 0.000 1.347 47 I CB -0.202 37.417 38.000 -0.634 0.000 1.044 47 I HN -0.107 nan 8.210 nan 0.000 0.408 48 V N 0.575 120.297 119.914 -0.321 0.000 2.427 48 V HA -0.289 3.831 4.120 0.000 0.000 0.248 48 V C 2.473 178.484 176.094 -0.138 0.000 1.051 48 V CA 2.080 64.234 62.300 -0.243 0.000 1.048 48 V CB -0.646 31.048 31.823 -0.215 0.000 0.666 48 V HN 0.499 nan 8.190 nan 0.000 0.456 49 E N 0.305 120.435 120.200 -0.117 0.000 2.085 49 E HA -0.200 4.150 4.350 0.000 0.000 0.194 49 E C 1.617 178.186 176.600 -0.052 0.000 0.994 49 E CA 0.834 57.190 56.400 -0.074 0.000 0.801 49 E CB 0.059 29.719 29.700 -0.066 0.000 0.743 49 E HN 0.331 nan 8.360 nan 0.000 0.453 53 A N 0.680 123.509 122.820 0.015 0.000 2.123 53 A HA 0.451 4.771 4.320 0.000 0.000 0.214 53 A C 1.335 178.929 177.584 0.018 0.000 1.152 53 A CA 0.834 52.877 52.037 0.011 0.000 0.728 53 A CB -0.200 18.803 19.000 0.004 0.000 0.814 53 A HN 0.306 nan 8.150 nan 0.000 0.464 54 A N 1.394 124.230 122.820 0.027 0.000 2.580 54 A HA 0.398 4.718 4.320 0.000 0.000 0.244 54 A C -2.177 175.419 177.584 0.020 0.000 1.045 54 A CA -0.550 51.502 52.037 0.026 0.000 0.761 54 A CB -0.618 18.403 19.000 0.034 0.000 0.962 54 A HN 0.300 nan 8.150 nan 0.000 0.512 55 P HA 0.192 nan 4.420 nan 0.000 0.271 55 P C 0.981 178.288 177.300 0.012 0.000 1.218 55 P CA 0.297 63.404 63.100 0.013 0.000 0.780 55 P CB 0.871 32.578 31.700 0.011 0.000 0.901 56 T N -2.989 111.572 114.554 0.012 0.000 2.978 56 T HA 0.080 4.430 4.350 0.000 0.000 0.248 56 T C 0.654 175.361 174.700 0.011 0.000 1.018 56 T CA 0.415 62.521 62.100 0.010 0.000 1.026 56 T CB -0.406 68.469 68.868 0.012 0.000 1.032 56 T HN 0.146 nan 8.240 nan 0.000 0.485 57 D N 1.997 122.405 120.400 0.012 0.000 2.259 57 D HA 0.171 4.811 4.640 0.000 0.000 0.216 57 D C 1.089 177.396 176.300 0.011 0.000 0.961 57 D CA 0.395 54.403 54.000 0.013 0.000 0.878 57 D CB 0.003 40.811 40.800 0.014 0.000 1.009 57 D HN 0.403 nan 8.370 nan 0.000 0.490 58 S N 0.211 115.917 115.700 0.010 0.000 2.568 58 S HA 0.096 4.566 4.470 0.000 0.000 0.282 58 S C 0.237 174.841 174.600 0.007 0.000 1.338 58 S CA -0.358 57.848 58.200 0.009 0.000 1.045 58 S CB 0.490 63.696 63.200 0.009 0.000 0.873 58 S HN 0.011 nan 8.310 nan 0.000 0.516 59 T N 4.890 119.447 114.554 0.006 0.000 2.851 59 T HA 0.257 4.607 4.350 0.000 0.000 0.298 59 T C -0.175 174.526 174.700 0.002 0.000 0.977 59 T CA -0.282 61.819 62.100 0.002 0.000 1.126 59 T CB 0.447 69.316 68.868 0.001 0.000 0.916 59 T HN 0.566 nan 8.240 nan 0.000 0.529 60 L N 4.647 125.870 121.223 -0.000 0.000 2.278 60 L HA 0.325 4.665 4.340 0.000 0.000 0.287 60 L C -0.016 176.853 176.870 -0.003 0.000 1.072 60 L CA 0.074 54.914 54.840 -0.000 0.000 0.819 60 L CB 0.101 42.158 42.059 -0.002 0.000 1.176 60 L HN 0.576 nan 8.230 nan 0.000 0.435 61 E N 5.715 125.916 120.200 0.001 0.000 2.109 61 E HA 0.318 4.668 4.350 0.000 0.000 0.278 61 E C -1.094 175.506 176.600 0.001 0.000 0.954 61 E CA -0.939 55.461 56.400 -0.000 0.000 0.779 61 E CB 1.358 31.060 29.700 0.004 0.000 1.093 61 E HN 0.366 nan 8.360 nan 0.000 0.401 62 L N 3.831 125.051 121.223 -0.006 0.000 2.290 62 L HA 0.127 4.467 4.340 0.000 0.000 0.284 62 L C 0.814 177.682 176.870 -0.003 0.000 1.078 62 L CA 0.141 54.975 54.840 -0.011 0.000 0.815 62 L CB 0.520 42.563 42.059 -0.026 0.000 1.162 62 L HN 0.610 nan 8.230 nan 0.000 0.435 63 D N -0.257 120.151 120.400 0.013 0.000 2.469 63 D HA 0.202 4.843 4.640 0.000 0.000 0.213 63 D C 1.160 177.494 176.300 0.056 0.000 1.135 63 D CA 0.539 54.569 54.000 0.051 0.000 0.834 63 D CB 0.606 41.460 40.800 0.090 0.000 1.009 63 D HN 0.660 nan 8.370 nan 0.000 0.507 64 G N -0.383 108.375 108.800 -0.070 0.000 2.175 64 G HA2 -0.347 3.613 3.960 0.000 0.000 0.244 64 G HA3 -0.347 3.613 3.960 0.000 0.000 0.244 64 G C 0.353 174.834 174.900 -0.698 0.000 0.982 64 G CA 0.606 45.507 45.100 -0.330 0.000 0.641 64 G HN 0.403 nan 8.290 nan 0.000 0.527 65 Y N -0.401 119.886 120.300 -0.020 0.000 2.713 65 Y HA 0.189 4.739 4.550 0.000 0.000 0.265 65 Y C 2.428 178.322 175.900 -0.010 0.000 1.177 65 Y CA 0.775 58.867 58.100 -0.013 0.000 1.144 65 Y CB -0.256 38.196 38.460 -0.013 0.000 1.360 65 Y HN 0.456 nan 8.280 nan 0.000 0.491 66 S N 0.711 116.490 115.700 0.132 0.000 2.603 66 S HA 0.064 4.535 4.470 0.000 0.000 0.220 66 S C 0.501 175.122 174.600 0.035 0.000 0.967 66 S CA -0.156 58.088 58.200 0.075 0.000 0.920 66 S CB -0.545 62.693 63.200 0.063 0.000 0.773 66 S HN 0.210 nan 8.310 nan 0.000 0.529 67 L N 4.081 125.311 121.223 0.012 0.000 2.513 67 L HA 0.343 4.683 4.340 0.000 0.000 0.272 67 L C -0.203 176.665 176.870 -0.005 0.000 1.187 67 L CA 0.039 54.876 54.840 -0.005 0.000 0.895 67 L CB -0.069 41.974 42.059 -0.028 0.000 1.147 67 L HN 0.506 nan 8.230 nan 0.000 0.483 68 N N 3.196 121.897 118.700 0.002 0.000 2.531 68 N HA 0.345 5.085 4.740 0.000 0.000 0.290 68 N C 0.371 175.880 175.510 -0.003 0.000 1.257 68 N CA -0.831 52.219 53.050 0.001 0.000 0.863 68 N CB 0.425 38.929 38.487 0.029 0.000 1.320 68 N HN 0.347 nan 8.380 nan 0.000 0.538 69 L N -0.065 121.148 121.223 -0.016 0.000 2.131 69 L HA 0.111 4.451 4.340 0.000 0.000 0.210 69 L C 2.296 179.207 176.870 0.069 0.000 1.092 69 L CA 2.055 56.898 54.840 0.004 0.000 0.759 69 L CB -1.269 40.766 42.059 -0.042 0.000 0.903 69 L HN 0.956 nan 8.230 nan 0.000 0.435 70 G N -1.225 107.633 108.800 0.096 0.000 2.422 70 G HA2 -0.229 3.731 3.960 0.000 0.000 0.218 70 G HA3 -0.229 3.731 3.960 0.000 0.000 0.218 70 G C 1.272 176.201 174.900 0.048 0.000 1.140 70 G CA 0.661 45.821 45.100 0.100 0.000 0.775 70 G HN 0.326 nan 8.290 nan 0.000 0.545 71 D N 0.335 120.753 120.400 0.030 0.000 2.117 71 D HA -0.081 4.560 4.640 0.000 0.000 0.198 71 D C 2.784 179.083 176.300 -0.002 0.000 0.982 71 D CA 0.613 54.620 54.000 0.012 0.000 0.828 71 D CB -0.483 40.322 40.800 0.008 0.000 0.967 71 D HN 0.185 nan 8.370 nan 0.000 0.464 72 V N 0.883 120.793 119.914 -0.007 0.000 2.233 72 V HA -0.242 3.879 4.120 0.000 0.000 0.247 72 V C 2.718 178.791 176.094 -0.035 0.000 1.050 72 V CA 1.272 63.560 62.300 -0.020 0.000 1.010 72 V CB -0.633 31.178 31.823 -0.021 0.000 0.637 72 V HN 0.053 nan 8.190 nan 0.000 0.444 73 V N 1.201 121.086 119.914 -0.048 0.000 2.324 73 V HA -0.296 3.824 4.120 0.000 0.000 0.250 73 V C 2.715 178.758 176.094 -0.085 0.000 1.060 73 V CA 2.503 64.734 62.300 -0.114 0.000 1.042 73 V CB -1.184 30.508 31.823 -0.219 0.000 0.650 73 V HN 0.782 nan 8.190 nan 0.000 0.450 74 S N 1.101 116.775 115.700 -0.043 0.000 2.368 74 S HA -0.160 4.310 4.470 0.000 0.000 0.225 74 S C 2.095 176.682 174.600 -0.022 0.000 1.030 74 S CA 1.400 59.585 58.200 -0.025 0.000 0.999 74 S CB -0.599 62.599 63.200 -0.004 0.000 0.844 74 S HN 0.615 nan 8.310 nan 0.000 0.459 75 A N 2.124 124.931 122.820 -0.021 0.000 1.873 75 A HA 0.388 4.708 4.320 0.000 0.000 0.215 75 A C 2.543 180.116 177.584 -0.019 0.000 1.186 75 A CA 1.664 53.692 52.037 -0.016 0.000 0.616 75 A CB -1.441 17.550 19.000 -0.014 0.000 0.823 75 A HN 0.841 nan 8.150 nan 0.000 0.442 76 A N -0.788 122.014 122.820 -0.030 0.000 1.897 76 A HA -0.067 4.253 4.320 0.000 0.000 0.215 76 A C 2.264 179.825 177.584 -0.038 0.000 1.181 76 A CA 1.685 53.702 52.037 -0.033 0.000 0.620 76 A CB -0.307 18.667 19.000 -0.044 0.000 0.821 76 A HN 0.502 nan 8.150 nan 0.000 0.443 77 R N -1.788 118.680 120.500 -0.053 0.000 2.307 77 R HA 0.106 4.447 4.340 0.000 0.000 0.200 77 R C 0.712 176.992 176.300 -0.033 0.000 0.893 77 R CA 0.239 56.307 56.100 -0.053 0.000 1.042 77 R CB 0.231 30.477 30.300 -0.091 0.000 1.059 77 R HN 0.111 nan 8.270 nan 0.000 0.530 78 K N -0.412 119.973 120.400 -0.025 0.000 2.358 78 K HA 0.225 4.545 4.320 0.000 0.000 0.200 78 K C 0.489 177.090 176.600 0.001 0.000 1.030 78 K CA 0.641 56.922 56.287 -0.009 0.000 1.097 78 K CB 1.315 33.811 32.500 -0.008 0.000 0.862 78 K HN 0.332 nan 8.250 nan 0.000 0.534 79 G N 2.548 111.349 108.800 0.001 0.000 2.160 79 G HA2 -0.343 3.617 3.960 0.000 0.000 0.251 79 G HA3 -0.343 3.617 3.960 0.000 0.000 0.251 79 G C 0.122 175.026 174.900 0.008 0.000 1.008 79 G CA 0.502 45.608 45.100 0.009 0.000 0.724 79 G HN 0.365 nan 8.290 nan 0.000 0.514 80 R N 0.582 121.084 120.500 0.003 0.000 2.623 80 R HA 0.358 4.698 4.340 0.000 0.000 0.271 80 R C -2.062 174.238 176.300 -0.000 0.000 1.043 80 R CA -0.949 55.152 56.100 0.002 0.000 1.083 80 R CB 0.368 30.668 30.300 -0.000 0.000 0.974 80 R HN 0.117 nan 8.270 nan 0.000 0.436 81 P HA 0.087 nan 4.420 nan 0.000 0.275 81 P C -1.275 176.019 177.300 -0.010 0.000 1.227 81 P CA -0.263 62.832 63.100 -0.007 0.000 0.781 81 P CB 1.124 32.822 31.700 -0.004 0.000 0.906 82 V N 4.240 124.144 119.914 -0.017 0.000 2.789 82 V HA 0.692 4.812 4.120 0.000 0.000 0.311 82 V C -0.230 175.851 176.094 -0.021 0.000 1.073 82 V CA -0.565 61.725 62.300 -0.016 0.000 0.921 82 V CB 2.122 33.935 31.823 -0.016 0.000 1.009 82 V HN 0.647 nan 8.190 nan 0.000 0.426 83 R N 2.350 122.839 120.500 -0.018 0.000 2.634 83 R HA 0.658 4.998 4.340 0.000 0.000 0.263 83 R C -1.416 174.875 176.300 -0.015 0.000 1.060 83 R CA -0.789 55.300 56.100 -0.019 0.000 0.898 83 R CB 1.718 32.007 30.300 -0.017 0.000 1.253 83 R HN 0.475 nan 8.270 nan 0.000 0.461 84 V N 2.234 122.138 119.914 -0.016 0.000 2.655 84 V HA 0.081 4.201 4.120 0.000 0.000 0.300 84 V C 0.369 176.459 176.094 -0.007 0.000 1.044 84 V CA 0.080 62.371 62.300 -0.014 0.000 1.095 84 V CB 0.734 32.546 31.823 -0.018 0.000 0.952 84 V HN 0.809 nan 8.190 nan 0.000 0.485 85 K N 4.913 125.311 120.400 -0.003 0.000 2.524 85 K HA -0.041 4.279 4.320 0.000 0.000 0.279 85 K C 0.107 176.708 176.600 0.002 0.000 0.993 85 K CA 0.013 56.302 56.287 0.002 0.000 1.030 85 K CB 0.220 32.725 32.500 0.009 0.000 0.891 85 K HN 0.851 nan 8.250 nan 0.000 0.488 86 D N 2.732 123.134 120.400 0.002 0.000 2.359 86 D HA 0.039 4.679 4.640 0.000 0.000 0.250 86 D C -1.086 175.216 176.300 0.004 0.000 1.264 86 D CA 0.422 54.423 54.000 0.003 0.000 0.911 86 D CB 0.194 40.995 40.800 0.003 0.000 1.056 86 D HN 0.555 nan 8.370 nan 0.000 0.499 87 S N 2.378 118.080 115.700 0.003 0.000 2.543 87 S HA 0.201 4.671 4.470 0.000 0.000 0.274 87 S C 0.450 175.051 174.600 0.003 0.000 1.149 87 S CA -0.830 57.372 58.200 0.003 0.000 0.866 87 S CB 1.711 64.914 63.200 0.005 0.000 1.111 87 S HN 0.147 nan 8.310 nan 0.000 0.457 88 D N 1.738 122.139 120.400 0.002 0.000 2.117 88 D HA -0.106 4.534 4.640 0.000 0.000 0.198 88 D C 1.570 177.871 176.300 0.001 0.000 0.982 88 D CA 1.324 55.325 54.000 0.002 0.000 0.828 88 D CB -0.056 40.745 40.800 0.002 0.000 0.967 88 D HN 0.856 nan 8.370 nan 0.000 0.464 89 E N 0.417 120.617 120.200 -0.000 0.000 2.130 89 E HA -0.183 4.167 4.350 0.000 0.000 0.196 89 E C 2.101 178.701 176.600 0.001 0.000 0.998 89 E CA 0.694 57.093 56.400 -0.002 0.000 0.806 89 E CB 0.145 29.841 29.700 -0.005 0.000 0.738 89 E HN 0.110 nan 8.360 nan 0.000 0.459 90 I N 0.620 121.192 120.570 0.004 0.000 2.133 90 I HA -0.208 3.962 4.170 0.000 0.000 0.238 90 I C 2.562 178.677 176.117 -0.002 0.000 1.074 90 I CA 1.230 62.531 61.300 0.003 0.000 1.342 90 I CB -1.176 36.826 38.000 0.004 0.000 1.053 90 I HN 0.078 nan 8.210 nan 0.000 0.404 91 R N 0.667 121.167 120.500 -0.000 0.000 2.096 91 R HA -0.189 4.151 4.340 0.000 0.000 0.240 91 R C 2.649 178.950 176.300 0.003 0.000 1.139 91 R CA 1.922 58.023 56.100 0.001 0.000 0.952 91 R CB -0.683 29.619 30.300 0.003 0.000 0.854 91 R HN 0.337 nan 8.270 nan 0.000 0.436 92 S N 0.342 116.044 115.700 0.003 0.000 2.365 92 S HA -0.248 4.222 4.470 0.000 0.000 0.221 92 S C 1.660 176.263 174.600 0.005 0.000 1.037 92 S CA 1.845 60.048 58.200 0.005 0.000 1.060 92 S CB -0.105 63.097 63.200 0.003 0.000 0.974 92 S HN 0.292 nan 8.310 nan 0.000 0.427 93 K N 0.544 120.943 120.400 -0.002 0.000 2.020 93 K HA -0.091 4.229 4.320 0.000 0.000 0.212 93 K C 2.138 178.734 176.600 -0.006 0.000 1.050 93 K CA 1.946 58.227 56.287 -0.009 0.000 0.929 93 K CB -0.537 31.949 32.500 -0.023 0.000 0.714 93 K HN 0.453 nan 8.250 nan 0.000 0.443 94 I N 1.284 121.849 120.570 -0.009 0.000 2.248 94 I HA -0.294 3.876 4.170 0.000 0.000 0.248 94 I C 2.121 178.247 176.117 0.015 0.000 1.107 94 I CA 1.205 62.503 61.300 -0.003 0.000 1.373 94 I CB -0.288 37.708 38.000 -0.007 0.000 1.055 94 I HN 0.218 nan 8.210 nan 0.000 0.418 95 D N 0.796 121.206 120.400 0.017 0.000 2.183 95 D HA -0.093 4.547 4.640 0.000 0.000 0.205 95 D C 2.079 178.404 176.300 0.042 0.000 0.962 95 D CA 1.014 55.030 54.000 0.027 0.000 0.849 95 D CB 0.115 40.928 40.800 0.021 0.000 0.978 95 D HN 0.164 nan 8.370 nan 0.000 0.488 96 K N -0.072 120.351 120.400 0.038 0.000 2.439 96 K HA -0.016 4.304 4.320 0.000 0.000 0.197 96 K C 1.905 178.555 176.600 0.084 0.000 1.041 96 K CA 0.345 56.665 56.287 0.055 0.000 0.970 96 K CB 0.149 32.668 32.500 0.033 0.000 0.773 96 K HN -0.053 nan 8.250 nan 0.000 0.479 97 S N 0.233 115.974 115.700 0.068 0.000 2.388 97 S HA -0.042 4.428 4.470 0.000 0.000 0.223 97 S C 1.935 176.622 174.600 0.145 0.000 1.034 97 S CA 0.441 58.696 58.200 0.091 0.000 0.963 97 S CB 0.085 63.314 63.200 0.050 0.000 0.827 97 S HN 0.021 nan 8.310 nan 0.000 0.481 98 V N 2.410 122.382 119.914 0.097 0.000 2.358 98 V HA -0.052 4.068 4.120 0.000 0.000 0.246 98 V C 2.684 178.832 176.094 0.091 0.000 1.047 98 V CA 1.694 64.044 62.300 0.084 0.000 1.035 98 V CB -0.581 31.272 31.823 0.050 0.000 0.658 98 V HN 0.443 nan 8.190 nan 0.000 0.452 99 E N -0.447 119.810 120.200 0.094 0.000 2.150 99 E HA -0.204 4.146 4.350 0.000 0.000 0.193 99 E C 1.961 178.623 176.600 0.103 0.000 0.985 99 E CA 1.135 57.583 56.400 0.080 0.000 0.814 99 E CB -0.329 29.415 29.700 0.073 0.000 0.752 99 E HN 0.659 nan 8.360 nan 0.000 0.466 100 F N 1.038 120.997 119.950 0.014 0.000 2.293 100 F HA -0.143 4.384 4.527 0.000 0.000 0.300 100 F C 1.952 177.760 175.800 0.013 0.000 1.086 100 F CA 0.688 58.696 58.000 0.014 0.000 1.375 100 F CB 0.109 39.120 39.000 0.019 0.000 1.045 100 F HN -0.001 nan 8.300 nan 0.000 0.516 101 L N 0.546 121.801 121.223 0.052 0.000 2.162 101 L HA -0.062 4.278 4.340 0.000 0.000 0.205 101 L C 2.493 179.318 176.870 -0.075 0.000 1.086 101 L CA 1.326 56.152 54.840 -0.024 0.000 0.778 101 L CB -0.943 41.158 42.059 0.070 0.000 0.928 101 L HN 0.191 nan 8.230 nan 0.000 0.446 102 R N 0.476 120.953 120.500 -0.038 0.000 2.097 102 R HA -0.156 4.184 4.340 0.000 0.000 0.236 102 R C 1.450 177.704 176.300 -0.077 0.000 1.135 102 R CA 1.938 58.014 56.100 -0.039 0.000 0.934 102 R CB -0.358 29.932 30.300 -0.016 0.000 0.846 102 R HN 0.493 nan 8.270 nan 0.000 0.431 103 S N 1.860 117.497 115.700 -0.105 0.000 3.227 103 S HA 0.070 4.540 4.470 0.000 0.000 0.249 103 S C -0.226 174.244 174.600 -0.217 0.000 1.322 103 S CA -0.425 57.698 58.200 -0.128 0.000 1.253 103 S CB -0.066 63.071 63.200 -0.105 0.000 1.076 103 S HN 0.322 nan 8.310 nan 0.000 0.471 126 D N 0.921 121.321 120.400 -0.000 0.000 2.323 126 D HA 0.208 4.848 4.640 0.000 0.000 0.209 126 D C 1.477 177.779 176.300 0.004 0.000 0.973 126 D CA 1.087 55.087 54.000 0.001 0.000 0.874 126 D CB 0.002 40.801 40.800 -0.001 0.000 0.930 126 D HN 0.307 nan 8.370 nan 0.000 0.521 127 A N 1.254 124.076 122.820 0.003 0.000 1.865 127 A HA -0.168 4.152 4.320 0.000 0.000 0.217 127 A C 1.813 179.402 177.584 0.009 0.000 1.191 127 A CA 1.040 53.081 52.037 0.006 0.000 0.623 127 A CB -0.500 18.502 19.000 0.004 0.000 0.826 127 A HN 0.188 nan 8.150 nan 0.000 0.444 128 I N 0.238 120.813 120.570 0.007 0.000 3.444 128 I HA -0.001 4.169 4.170 0.000 0.000 0.287 128 I C 1.337 177.461 176.117 0.011 0.000 1.302 128 I CA 0.923 62.228 61.300 0.009 0.000 1.368 128 I CB -1.431 36.573 38.000 0.006 0.000 1.048 128 I HN 0.141 nan 8.210 nan 0.000 0.487 129 S N 0.247 115.953 115.700 0.010 0.000 2.535 129 S HA 0.242 4.712 4.470 0.000 0.000 0.214 129 S C 1.742 176.353 174.600 0.017 0.000 0.980 129 S CA -0.092 58.115 58.200 0.012 0.000 0.907 129 S CB 0.517 63.721 63.200 0.007 0.000 0.790 129 S HN 0.396 nan 8.310 nan 0.000 0.510 130 L N 0.643 121.877 121.223 0.018 0.000 2.408 130 L HA 0.196 4.536 4.340 0.000 0.000 0.215 130 L C 2.055 178.946 176.870 0.036 0.000 1.081 130 L CA 0.563 55.417 54.840 0.024 0.000 0.840 130 L CB 0.011 42.081 42.059 0.019 0.000 1.002 130 L HN 0.266 nan 8.230 nan 0.000 0.468 131 Q N -0.298 119.520 119.800 0.029 0.000 2.187 131 Q HA -0.156 4.184 4.340 0.000 0.000 0.199 131 Q C 1.772 177.791 176.000 0.031 0.000 0.957 131 Q CA 1.069 56.889 55.803 0.028 0.000 0.857 131 Q CB 0.304 29.053 28.738 0.019 0.000 0.929 131 Q HN 0.393 nan 8.270 nan 0.000 0.453 132 K N -0.083 120.337 120.400 0.033 0.000 2.228 132 K HA 0.035 4.355 4.320 0.000 0.000 0.202 132 K C 1.890 178.523 176.600 0.055 0.000 1.051 132 K CA 0.752 57.064 56.287 0.041 0.000 0.960 132 K CB 0.141 32.661 32.500 0.033 0.000 0.743 132 K HN 0.069 nan 8.250 nan 0.000 0.458 133 A N 1.350 124.207 122.820 0.061 0.000 1.929 133 A HA -0.098 4.222 4.320 0.000 0.000 0.216 133 A C 2.043 179.736 177.584 0.181 0.000 1.176 133 A CA 0.788 52.877 52.037 0.087 0.000 0.628 133 A CB -0.330 18.702 19.000 0.054 0.000 0.816 133 A HN 0.217 nan 8.150 nan 0.000 0.444 134 L N -0.579 120.736 121.223 0.154 0.000 1.976 134 L HA -0.101 4.240 4.340 0.000 0.000 0.209 134 L C 2.137 178.983 176.870 -0.039 0.000 1.071 134 L CA 1.891 56.845 54.840 0.191 0.000 0.746 134 L CB -0.709 41.404 42.059 0.089 0.000 0.890 134 L HN 0.240 nan 8.230 nan 0.000 0.432 135 L N 0.192 121.384 121.223 -0.052 0.000 2.127 135 L HA -0.215 4.125 4.340 0.000 0.000 0.211 135 L C 2.594 179.386 176.870 -0.130 0.000 1.089 135 L CA 1.873 56.634 54.840 -0.131 0.000 0.757 135 L CB -0.989 41.022 42.059 -0.080 0.000 0.899 135 L HN 0.553 nan 8.230 nan 0.000 0.434 136 E N -0.594 119.602 120.200 -0.007 0.000 2.033 136 E HA -0.289 4.061 4.350 0.000 0.000 0.199 136 E C 2.083 178.700 176.600 0.029 0.000 1.011 136 E CA 1.755 58.176 56.400 0.035 0.000 0.815 136 E CB -0.247 29.509 29.700 0.092 0.000 0.755 136 E HN 0.744 nan 8.360 nan 0.000 0.451 137 H N -0.996 118.062 119.070 -0.020 0.000 2.529 137 H HA 0.055 4.611 4.556 0.000 0.000 0.277 137 H C 1.430 176.750 175.328 -0.014 0.000 0.999 137 H CA 0.640 56.681 56.048 -0.012 0.000 1.256 137 H CB 0.142 29.900 29.762 -0.007 0.000 1.402 137 H HN 0.188 nan 8.280 nan 0.000 0.566 138 Q N 0.446 119.954 119.800 -0.487 0.000 2.408 138 Q HA 0.104 4.444 4.340 0.000 0.000 0.205 138 Q C 0.504 176.399 176.000 -0.175 0.000 0.919 138 Q CA -0.047 55.548 55.803 -0.347 0.000 0.932 138 Q CB 0.371 28.867 28.738 -0.403 0.000 1.058 138 Q HN 0.274 nan 8.270 nan 0.000 0.517 139 L N 1.632 122.710 121.223 -0.242 0.000 2.648 139 L HA 0.068 4.408 4.340 0.000 0.000 0.238 139 L C 0.587 177.449 176.870 -0.014 0.000 1.316 139 L CA 0.065 54.688 54.840 -0.362 0.000 1.241 139 L CB -0.473 41.264 42.059 -0.536 0.000 1.499 139 L HN 0.198 nan 8.230 nan 0.000 0.411 140 C N -2.588 116.786 119.300 0.123 0.000 2.994 140 C HA 0.727 5.187 4.460 0.000 0.000 0.284 140 C C 1.087 176.160 174.990 0.138 0.000 1.404 140 C CA -0.555 58.535 59.018 0.120 0.000 1.775 140 C CB -0.854 26.931 27.740 0.075 0.000 2.458 140 C HN 0.512 nan 8.230 nan 0.000 0.593 141 G N 0.768 109.688 108.800 0.199 0.000 2.522 141 G HA2 0.534 4.494 3.960 0.000 0.000 0.304 141 G HA3 0.534 4.494 3.960 0.000 0.000 0.304 141 G C -0.444 174.471 174.900 0.026 0.000 1.210 141 G CA 0.226 45.355 45.100 0.047 0.000 0.960 141 G HN 1.083 nan 8.290 nan 0.000 0.497 142 V N -0.678 119.224 119.914 -0.021 0.000 2.483 142 V HA 0.840 4.960 4.120 0.000 0.000 0.295 142 V C -1.004 175.066 176.094 -0.039 0.000 1.035 142 V CA -0.767 61.528 62.300 -0.008 0.000 0.896 142 V CB 1.223 33.046 31.823 0.001 0.000 0.986 142 V HN 0.489 nan 8.190 nan 0.000 0.447 143 L N 5.383 126.602 121.223 -0.007 0.000 2.409 143 L HA 0.725 5.065 4.340 0.000 0.000 0.255 143 L C -2.385 174.511 176.870 0.043 0.000 1.027 143 L CA -1.687 53.152 54.840 -0.002 0.000 0.834 143 L CB 2.036 44.092 42.059 -0.005 0.000 1.426 143 L HN 0.691 nan 8.230 nan 0.000 0.411 144 P HA 0.119 nan 4.420 nan 0.000 0.265 144 P C 0.268 177.628 177.300 0.101 0.000 1.193 144 P CA -0.071 63.098 63.100 0.115 0.000 0.765 144 P CB 0.560 32.404 31.700 0.241 0.000 0.823 145 S N 0.496 116.245 115.700 0.083 0.000 2.561 145 S HA 0.040 4.510 4.470 0.000 0.000 0.225 145 S C 1.158 175.797 174.600 0.066 0.000 0.977 145 S CA 0.540 58.783 58.200 0.072 0.000 0.926 145 S CB -0.149 63.090 63.200 0.065 0.000 0.769 145 S HN 0.588 nan 8.310 nan 0.000 0.533 146 S N -0.731 115.007 115.700 0.063 0.000 4.143 146 S HA 0.639 5.109 4.470 0.000 0.000 0.215 146 S C -0.883 173.707 174.600 -0.016 0.000 1.163 146 S CA -0.110 58.117 58.200 0.045 0.000 1.458 146 S CB 0.119 63.358 63.200 0.066 0.000 1.636 146 S HN 0.376 nan 8.310 nan 0.000 0.716 147 F N 0.654 120.476 119.950 -0.213 0.000 3.196 147 F HA 0.397 4.924 4.527 0.000 0.000 0.379 147 F C -0.138 175.581 175.800 -0.136 0.000 1.175 147 F CA -0.030 57.699 58.000 -0.452 0.000 0.940 147 F CB 0.540 39.275 39.000 -0.442 0.000 1.548 147 F HN 0.334 nan 8.300 nan 0.000 0.508 148 D N 0.258 120.742 120.400 0.140 0.000 2.336 148 D HA 0.061 4.701 4.640 0.000 0.000 0.229 148 D C 1.680 178.045 176.300 0.107 0.000 1.061 148 D CA 1.184 55.264 54.000 0.132 0.000 0.875 148 D CB 0.057 40.916 40.800 0.098 0.000 0.904 148 D HN 0.344 nan 8.370 nan 0.000 0.525 149 S N -0.923 114.855 115.700 0.131 0.000 2.701 149 S HA 0.148 4.618 4.470 0.000 0.000 0.242 149 S C 0.312 175.024 174.600 0.187 0.000 1.025 149 S CA -0.610 57.675 58.200 0.141 0.000 1.016 149 S CB -0.223 63.060 63.200 0.138 0.000 0.977 149 S HN -0.099 nan 8.310 nan 0.000 0.546 150 F N 3.693 123.502 119.950 -0.235 0.000 2.541 150 F HA 0.575 5.102 4.527 0.000 0.000 0.351 150 F C 0.891 176.568 175.800 -0.205 0.000 1.209 150 F CA -1.387 56.409 58.000 -0.341 0.000 1.277 150 F CB -0.288 38.223 39.000 -0.816 0.000 1.632 150 F HN -0.045 nan 8.300 nan 0.000 0.619 151 R N 0.731 121.224 120.500 -0.011 0.000 2.738 151 R HA 0.244 4.584 4.340 0.000 0.000 0.275 151 R C -0.560 175.726 176.300 -0.023 0.000 1.121 151 R CA -0.862 55.235 56.100 -0.005 0.000 1.207 151 R CB 0.054 30.343 30.300 -0.018 0.000 1.141 151 R HN 0.353 nan 8.270 nan 0.000 0.571 152 L N 1.262 122.483 121.223 -0.002 0.000 2.534 152 L HA 0.215 4.556 4.340 0.000 0.000 0.271 152 L C 1.130 177.982 176.870 -0.030 0.000 1.178 152 L CA 1.840 56.679 54.840 -0.002 0.000 0.907 152 L CB 0.176 42.242 42.059 0.012 0.000 1.164 152 L HN 0.832 nan 8.230 nan 0.000 0.482 153 G N 3.383 112.160 108.800 -0.039 0.000 2.205 153 G HA2 -0.234 3.726 3.960 0.000 0.000 0.261 153 G HA3 -0.234 3.726 3.960 0.000 0.000 0.261 153 G C 0.614 175.452 174.900 -0.103 0.000 0.980 153 G CA 0.474 45.540 45.100 -0.056 0.000 0.632 153 G HN 0.649 nan 8.290 nan 0.000 0.533 154 R N -1.173 119.239 120.500 -0.147 0.000 3.029 154 R HA 0.803 5.143 4.340 0.000 0.000 0.239 154 R C 1.074 177.120 176.300 -0.423 0.000 1.351 154 R CA 0.150 56.118 56.100 -0.219 0.000 1.052 154 R CB 0.929 31.131 30.300 -0.162 0.000 1.354 154 R HN 1.127 nan 8.270 nan 0.000 0.499 155 G N -0.512 107.964 108.800 -0.541 0.000 3.638 155 G HA2 -0.181 3.779 3.960 0.000 0.000 0.196 155 G HA3 -0.181 3.779 3.960 0.000 0.000 0.196 155 G C 0.225 174.551 174.900 -0.958 0.000 1.315 155 G CA -0.349 44.080 45.100 -1.118 0.000 0.944 155 G HN 0.331 nan 8.290 nan 0.000 0.434 156 L N 1.692 122.522 121.223 -0.655 0.000 2.791 156 L HA 0.339 4.679 4.340 0.000 0.000 0.239 156 L C 1.875 178.626 176.870 -0.199 0.000 1.203 156 L CA -0.057 54.578 54.840 -0.342 0.000 1.002 156 L CB 0.529 42.447 42.059 -0.236 0.000 1.295 156 L HN 0.197 nan 8.230 nan 0.000 0.504 157 E N 0.442 120.526 120.200 -0.194 0.000 2.097 157 E HA -0.205 4.145 4.350 0.000 0.000 0.196 157 E C 1.155 177.696 176.600 -0.098 0.000 1.000 157 E CA 1.219 57.542 56.400 -0.128 0.000 0.804 157 E CB -0.125 29.507 29.700 -0.114 0.000 0.740 157 E HN 0.322 nan 8.360 nan 0.000 0.454 158 N N 0.036 118.681 118.700 -0.091 0.000 2.362 158 N HA 0.026 4.766 4.740 0.000 0.000 0.204 158 N C -0.559 174.901 175.510 -0.084 0.000 1.166 158 N CA 0.152 53.157 53.050 -0.074 0.000 0.831 158 N CB 0.488 38.940 38.487 -0.058 0.000 1.008 158 N HN -0.033 nan 8.380 nan 0.000 0.472 159 S N 0.266 115.914 115.700 -0.088 0.000 2.501 159 S HA 0.421 4.891 4.470 0.000 0.000 0.301 159 S C -0.447 174.102 174.600 -0.085 0.000 1.096 159 S CA -0.739 57.409 58.200 -0.088 0.000 1.063 159 S CB 1.001 64.160 63.200 -0.068 0.000 1.042 159 S HN 0.047 nan 8.310 nan 0.000 0.494 160 L N 5.062 126.233 121.223 -0.087 0.000 2.453 160 L HA 0.432 4.772 4.340 0.000 0.000 0.272 160 L C -2.172 174.658 176.870 -0.067 0.000 1.182 160 L CA -1.239 53.558 54.840 -0.072 0.000 0.858 160 L CB -0.044 41.973 42.059 -0.069 0.000 1.120 160 L HN 0.533 nan 8.230 nan 0.000 0.474 161 P HA 0.008 nan 4.420 nan 0.000 0.265 161 P C 0.804 178.062 177.300 -0.070 0.000 1.187 161 P CA 0.053 63.111 63.100 -0.069 0.000 0.766 161 P CB 0.442 32.107 31.700 -0.057 0.000 0.820 162 L N 2.473 123.640 121.223 -0.094 0.000 2.083 162 L HA -0.217 4.123 4.340 0.000 0.000 0.209 162 L C 2.237 179.074 176.870 -0.056 0.000 1.083 162 L CA 1.704 56.490 54.840 -0.091 0.000 0.752 162 L CB -0.922 41.035 42.059 -0.169 0.000 0.899 162 L HN 0.515 nan 8.230 nan 0.000 0.433 163 E N -0.096 120.070 120.200 -0.057 0.000 2.204 163 E HA -0.148 4.202 4.350 0.000 0.000 0.194 163 E C 2.066 178.644 176.600 -0.037 0.000 0.989 163 E CA 1.165 57.538 56.400 -0.045 0.000 0.824 163 E CB -0.337 29.331 29.700 -0.053 0.000 0.756 163 E HN 0.288 nan 8.360 nan 0.000 0.477 164 V N 1.257 121.149 119.914 -0.037 0.000 2.379 164 V HA -0.192 3.928 4.120 0.000 0.000 0.245 164 V C 2.369 178.452 176.094 -0.018 0.000 1.044 164 V CA 1.272 63.554 62.300 -0.029 0.000 1.036 164 V CB 0.065 31.869 31.823 -0.031 0.000 0.664 164 V HN 0.219 nan 8.190 nan 0.000 0.453 165 V N -0.110 119.795 119.914 -0.014 0.000 2.358 165 V HA -0.211 3.909 4.120 0.000 0.000 0.246 165 V C 2.533 178.635 176.094 0.013 0.000 1.047 165 V CA 1.856 64.159 62.300 0.005 0.000 1.035 165 V CB -0.792 31.041 31.823 0.017 0.000 0.658 165 V HN 0.450 nan 8.190 nan 0.000 0.452 166 R N 0.305 120.810 120.500 0.008 0.000 2.096 166 R HA -0.090 4.250 4.340 0.000 0.000 0.235 166 R C 2.460 178.760 176.300 -0.000 0.000 1.127 166 R CA 1.441 57.548 56.100 0.013 0.000 0.968 166 R CB -0.741 29.562 30.300 0.006 0.000 0.861 166 R HN 0.590 nan 8.270 nan 0.000 0.440 167 G N 0.904 109.697 108.800 -0.011 0.000 2.422 167 G HA2 -0.072 3.888 3.960 0.000 0.000 0.218 167 G HA3 -0.072 3.888 3.960 0.000 0.000 0.218 167 G C 0.661 175.552 174.900 -0.014 0.000 1.140 167 G CA 0.583 45.672 45.100 -0.018 0.000 0.775 167 G HN 0.420 nan 8.290 nan 0.000 0.545 171 I N 1.436 121.989 120.570 -0.027 0.000 2.226 171 I HA -0.127 4.043 4.170 0.000 0.000 0.245 171 I C 2.832 178.926 176.117 -0.037 0.000 1.100 171 I CA 1.300 62.579 61.300 -0.034 0.000 1.374 171 I CB -0.258 37.725 38.000 -0.028 0.000 1.057 171 I HN 0.137 nan 8.210 nan 0.000 0.413 172 R N 0.510 120.992 120.500 -0.029 0.000 2.070 172 R HA -0.136 4.204 4.340 0.000 0.000 0.233 172 R C 2.381 178.657 176.300 -0.039 0.000 1.137 172 R CA 1.480 57.563 56.100 -0.029 0.000 0.945 172 R CB -0.552 29.734 30.300 -0.024 0.000 0.845 172 R HN 0.219 nan 8.270 nan 0.000 0.430 173 V N 1.783 121.673 119.914 -0.041 0.000 2.324 173 V HA -0.302 3.818 4.120 0.000 0.000 0.250 173 V C 2.106 178.167 176.094 -0.055 0.000 1.060 173 V CA 2.148 64.421 62.300 -0.045 0.000 1.042 173 V CB -0.746 31.053 31.823 -0.040 0.000 0.650 173 V HN 0.436 nan 8.190 nan 0.000 0.450 174 N N -0.111 118.553 118.700 -0.060 0.000 2.069 174 N HA -0.201 4.540 4.740 0.000 0.000 0.191 174 N C 2.045 177.483 175.510 -0.120 0.000 1.031 174 N CA 1.874 54.874 53.050 -0.083 0.000 0.852 174 N CB -0.318 38.120 38.487 -0.082 0.000 1.018 174 N HN 0.349 nan 8.380 nan 0.000 0.423 175 S N -0.563 115.075 115.700 -0.104 0.000 2.383 175 S HA 0.030 4.500 4.470 0.000 0.000 0.227 175 S C 1.829 176.367 174.600 -0.103 0.000 1.026 175 S CA 0.755 58.888 58.200 -0.112 0.000 0.981 175 S CB -0.379 62.784 63.200 -0.062 0.000 0.818 175 S HN 0.390 nan 8.310 nan 0.000 0.472 176 L N 0.838 122.018 121.223 -0.072 0.000 2.265 176 L HA -0.066 4.274 4.340 0.000 0.000 0.215 176 L C 2.558 179.380 176.870 -0.080 0.000 1.117 176 L CA 1.193 55.998 54.840 -0.059 0.000 0.782 176 L CB -1.002 41.034 42.059 -0.039 0.000 0.914 176 L HN 0.320 nan 8.230 nan 0.000 0.441 177 T N -0.453 114.045 114.554 -0.093 0.000 2.849 177 T HA -0.181 4.169 4.350 0.000 0.000 0.270 177 T C 1.869 176.502 174.700 -0.113 0.000 1.066 177 T CA 1.153 63.202 62.100 -0.085 0.000 1.130 177 T CB -0.171 68.653 68.868 -0.075 0.000 0.864 177 T HN 0.289 nan 8.240 nan 0.000 0.481 178 R N 0.378 120.754 120.500 -0.205 0.000 2.316 178 R HA 0.191 4.532 4.340 0.000 0.000 0.202 178 R C 1.596 177.638 176.300 -0.430 0.000 1.029 178 R CA 0.479 56.376 56.100 -0.339 0.000 1.018 178 R CB -0.157 29.810 30.300 -0.555 0.000 0.888 178 R HN 0.381 nan 8.270 nan 0.000 0.471 179 G N 0.434 109.096 108.800 -0.231 0.000 2.273 179 G HA2 -0.320 3.640 3.960 0.000 0.000 0.280 179 G HA3 -0.320 3.640 3.960 0.000 0.000 0.280 179 G C 0.071 174.939 174.900 -0.053 0.000 1.047 179 G CA 0.650 45.677 45.100 -0.120 0.000 0.869 179 G HN 0.632 nan 8.290 nan 0.000 0.502 180 H N -1.233 117.833 119.070 -0.007 0.000 2.740 180 H HA 0.225 4.781 4.556 0.000 0.000 0.265 180 H C 2.204 177.535 175.328 0.004 0.000 0.978 180 H CA 0.581 56.622 56.048 -0.011 0.000 1.198 180 H CB 0.782 30.537 29.762 -0.012 0.000 1.467 180 H HN 0.434 nan 8.280 nan 0.000 0.511 181 S N 0.072 115.841 115.700 0.115 0.000 2.505 181 S HA 0.316 4.786 4.470 0.000 0.000 0.216 181 S C 1.176 175.818 174.600 0.071 0.000 1.018 181 S CA 0.327 58.577 58.200 0.083 0.000 0.911 181 S CB 1.139 64.374 63.200 0.057 0.000 0.818 181 S HN 0.486 nan 8.310 nan 0.000 0.497 182 A N 1.186 124.045 122.820 0.064 0.000 2.876 182 A HA -0.084 4.237 4.320 0.000 0.000 0.287 182 A C 0.233 177.844 177.584 0.045 0.000 1.455 182 A CA 0.468 52.546 52.037 0.068 0.000 0.744 182 A CB -2.366 16.697 19.000 0.106 0.000 1.041 182 A HN 1.188 nan 8.150 nan 0.000 0.500 183 V N -2.240 117.689 119.914 0.026 0.000 2.555 183 V HA 0.812 4.932 4.120 0.000 0.000 0.302 183 V C 0.537 176.635 176.094 0.007 0.000 1.038 183 V CA -1.194 61.114 62.300 0.014 0.000 0.887 183 V CB 1.493 33.317 31.823 0.002 0.000 0.991 183 V HN 0.571 nan 8.190 nan 0.000 0.434 184 R N 1.965 122.469 120.500 0.006 0.000 2.784 184 R HA 0.191 4.531 4.340 0.000 0.000 0.266 184 R C 1.081 177.378 176.300 -0.005 0.000 1.044 184 R CA -0.255 55.847 56.100 0.004 0.000 1.151 184 R CB 0.358 30.661 30.300 0.005 0.000 1.037 184 R HN 0.822 nan 8.270 nan 0.000 0.478 185 L N 3.089 124.310 121.223 -0.004 0.000 2.201 185 L HA -0.101 4.239 4.340 0.000 0.000 0.212 185 L C 1.921 178.785 176.870 -0.011 0.000 1.105 185 L CA 1.405 56.239 54.840 -0.009 0.000 0.775 185 L CB -0.228 41.828 42.059 -0.005 0.000 0.913 185 L HN 0.550 nan 8.230 nan 0.000 0.440 186 V N -1.276 118.634 119.914 -0.007 0.000 2.759 186 V HA -0.185 3.935 4.120 0.000 0.000 0.256 186 V C 2.225 178.307 176.094 -0.019 0.000 1.080 186 V CA 1.656 63.952 62.300 -0.006 0.000 1.101 186 V CB -0.004 31.820 31.823 0.001 0.000 0.698 186 V HN 0.349 nan 8.190 nan 0.000 0.477 187 V N -0.492 119.407 119.914 -0.025 0.000 2.591 187 V HA -0.094 4.026 4.120 0.000 0.000 0.249 187 V C 2.268 178.328 176.094 -0.057 0.000 1.053 187 V CA 1.308 63.581 62.300 -0.044 0.000 1.068 187 V CB -0.351 31.450 31.823 -0.037 0.000 0.689 187 V HN 0.443 nan 8.190 nan 0.000 0.462 188 L N -0.053 121.145 121.223 -0.042 0.000 2.093 188 L HA -0.095 4.245 4.340 0.000 0.000 0.208 188 L C 2.373 179.215 176.870 -0.046 0.000 1.085 188 L CA 1.702 56.515 54.840 -0.045 0.000 0.755 188 L CB -0.805 41.233 42.059 -0.034 0.000 0.904 188 L HN 0.323 nan 8.230 nan 0.000 0.435 189 E N -0.504 119.675 120.200 -0.035 0.000 2.106 189 E HA -0.194 4.156 4.350 0.000 0.000 0.192 189 E C 2.327 178.908 176.600 -0.031 0.000 0.984 189 E CA 0.967 57.351 56.400 -0.026 0.000 0.806 189 E CB -0.194 29.499 29.700 -0.011 0.000 0.750 189 E HN 0.494 nan 8.360 nan 0.000 0.458 190 A N 1.037 123.824 122.820 -0.056 0.000 1.908 190 A HA -0.206 4.114 4.320 0.000 0.000 0.218 190 A C 2.143 179.619 177.584 -0.180 0.000 1.181 190 A CA 1.232 53.209 52.037 -0.100 0.000 0.627 190 A CB -0.629 18.278 19.000 -0.156 0.000 0.818 190 A HN 0.143 nan 8.150 nan 0.000 0.445 191 L N -0.374 120.750 121.223 -0.165 0.000 2.005 191 L HA -0.155 4.185 4.340 0.000 0.000 0.207 191 L C 3.025 179.877 176.870 -0.031 0.000 1.072 191 L CA 1.861 56.613 54.840 -0.146 0.000 0.744 191 L CB -1.064 40.931 42.059 -0.106 0.000 0.895 191 L HN 0.616 nan 8.230 nan 0.000 0.433 192 T N -3.233 111.304 114.554 -0.028 0.000 2.881 192 T HA -0.126 4.224 4.350 0.000 0.000 0.270 192 T C 1.704 176.391 174.700 -0.022 0.000 1.068 192 T CA 1.235 63.324 62.100 -0.019 0.000 1.131 192 T CB -0.396 68.453 68.868 -0.031 0.000 0.871 192 T HN 0.224 nan 8.240 nan 0.000 0.479 193 N N 0.821 119.521 118.700 -0.000 0.000 2.106 193 N HA 0.046 4.786 4.740 0.000 0.000 0.188 193 N C 1.472 177.009 175.510 0.045 0.000 1.029 193 N CA 0.849 53.871 53.050 -0.047 0.000 0.848 193 N CB -0.616 37.896 38.487 0.041 0.000 1.007 193 N HN 0.306 nan 8.380 nan 0.000 0.423 194 F N 1.735 121.635 119.950 -0.083 0.000 2.091 194 F HA -0.082 4.445 4.527 0.000 0.000 0.299 194 F C 2.352 178.104 175.800 -0.079 0.000 1.103 194 F CA 0.666 58.628 58.000 -0.065 0.000 1.228 194 F CB -0.839 38.145 39.000 -0.026 0.000 0.984 194 F HN -0.011 nan 8.300 nan 0.000 0.477 195 L N -0.309 120.996 121.223 0.136 0.000 2.017 195 L HA -0.263 4.077 4.340 0.000 0.000 0.208 195 L C 1.972 178.836 176.870 -0.011 0.000 1.073 195 L CA 1.370 56.239 54.840 0.048 0.000 0.745 195 L CB -0.542 41.533 42.059 0.026 0.000 0.894 195 L HN 0.112 nan 8.230 nan 0.000 0.432 196 N N -1.451 117.209 118.700 -0.067 0.000 2.515 196 N HA -0.094 4.646 4.740 0.000 0.000 0.185 196 N C 1.125 176.568 175.510 -0.112 0.000 1.109 196 N CA 0.826 53.812 53.050 -0.106 0.000 0.903 196 N CB -0.094 38.297 38.487 -0.160 0.000 0.969 196 N HN 0.528 nan 8.380 nan 0.000 0.450 197 H N -1.175 117.797 119.070 -0.163 0.000 2.652 197 H HA 0.236 4.792 4.556 0.000 0.000 0.274 197 H C 0.732 175.821 175.328 -0.399 0.000 1.021 197 H CA 0.041 55.869 56.048 -0.368 0.000 1.187 197 H CB 0.680 30.005 29.762 -0.729 0.000 1.505 197 H HN 0.187 nan 8.280 nan 0.000 0.530 198 G N 1.687 110.429 108.800 -0.097 0.000 2.160 198 G HA2 -0.270 3.690 3.960 0.000 0.000 0.244 198 G HA3 -0.270 3.690 3.960 0.000 0.000 0.244 198 G C 0.009 174.848 174.900 -0.100 0.000 1.022 198 G CA 0.038 45.104 45.100 -0.057 0.000 0.741 198 G HN 0.331 nan 8.290 nan 0.000 0.508 199 I N 1.977 122.429 120.570 -0.196 0.000 2.291 199 I HA 0.308 4.478 4.170 0.000 0.000 0.290 199 I C 0.152 176.236 176.117 -0.054 0.000 1.050 199 I CA -0.212 60.924 61.300 -0.273 0.000 1.245 199 I CB 1.183 38.730 38.000 -0.754 0.000 1.405 199 I HN 0.011 nan 8.210 nan 0.000 0.478 200 T N 7.684 122.278 114.554 0.067 0.000 2.770 200 T HA 0.352 4.702 4.350 0.000 0.000 0.283 200 T C -2.413 172.380 174.700 0.154 0.000 0.988 200 T CA -1.438 60.743 62.100 0.135 0.000 0.957 200 T CB 1.392 70.326 68.868 0.109 0.000 0.930 200 T HN 0.311 nan 8.240 nan 0.000 0.443 201 P HA 0.280 nan 4.420 nan 0.000 0.272 201 P C -0.538 176.837 177.300 0.125 0.000 1.223 201 P CA -0.419 62.793 63.100 0.187 0.000 0.784 201 P CB 0.881 32.721 31.700 0.234 0.000 0.923 202 I N 2.265 122.905 120.570 0.116 0.000 2.297 202 I HA 0.229 4.399 4.170 0.000 0.000 0.291 202 I C 0.626 176.749 176.117 0.010 0.000 1.033 202 I CA -0.651 60.686 61.300 0.061 0.000 1.253 202 I CB 1.323 39.367 38.000 0.075 0.000 1.396 202 I HN 0.094 nan 8.210 nan 0.000 0.476 203 V N 7.968 127.835 119.914 -0.078 0.000 2.769 203 V HA 0.641 4.761 4.120 0.000 0.000 0.312 203 V C -2.553 173.347 176.094 -0.324 0.000 1.061 203 V CA -2.402 59.732 62.300 -0.277 0.000 0.931 203 V CB 2.299 34.045 31.823 -0.128 0.000 1.010 203 V HN 0.418 nan 8.190 nan 0.000 0.433 204 P HA 0.072 nan 4.420 nan 0.000 0.266 204 P C 0.425 177.610 177.300 -0.192 0.000 1.195 204 P CA 0.072 62.976 63.100 -0.327 0.000 0.768 204 P CB 0.645 32.114 31.700 -0.385 0.000 0.838 205 L N 3.772 124.918 121.223 -0.128 0.000 2.027 205 L HA 0.002 4.342 4.340 0.000 0.000 0.206 205 L C 0.845 177.673 176.870 -0.070 0.000 1.074 205 L CA 1.823 56.610 54.840 -0.088 0.000 0.745 205 L CB -0.297 41.719 42.059 -0.072 0.000 0.898 205 L HN 0.279 nan 8.230 nan 0.000 0.433 206 R N -2.067 118.393 120.500 -0.066 0.000 2.787 206 R HA 0.575 4.915 4.340 0.000 0.000 0.271 206 R C 0.247 176.524 176.300 -0.038 0.000 0.993 206 R CA 0.116 56.190 56.100 -0.043 0.000 0.993 206 R CB 1.351 31.631 30.300 -0.032 0.000 1.155 206 R HN 0.211 nan 8.270 nan 0.000 0.486 207 G N 0.093 108.883 108.800 -0.018 0.000 2.902 207 G HA2 -0.184 3.776 3.960 0.000 0.000 0.215 207 G HA3 -0.184 3.776 3.960 0.000 0.000 0.215 207 G C -0.133 174.771 174.900 0.007 0.000 0.976 207 G CA -0.171 44.928 45.100 -0.002 0.000 0.794 207 G HN 0.569 nan 8.290 nan 0.000 0.557 208 T N 1.029 115.585 114.554 0.003 0.000 2.823 208 T HA 0.597 4.947 4.350 0.000 0.000 0.279 208 T C 1.243 175.952 174.700 0.016 0.000 0.998 208 T CA -0.259 61.847 62.100 0.011 0.000 0.994 208 T CB 0.861 69.735 68.868 0.010 0.000 0.960 208 T HN 0.795 nan 8.240 nan 0.000 0.448 209 I N 1.617 122.201 120.570 0.022 0.000 3.914 209 I HA 0.417 4.587 4.170 0.000 0.000 0.333 209 I C 0.556 176.698 176.117 0.041 0.000 1.449 209 I CA -0.718 60.600 61.300 0.030 0.000 1.135 209 I CB -0.505 37.515 38.000 0.033 0.000 1.073 209 I HN 0.522 nan 8.210 nan 0.000 0.401 215 L N 0.226 121.446 121.223 -0.005 0.000 1.951 215 L HA -0.200 4.140 4.340 0.000 0.000 0.222 215 L C 2.546 179.413 176.870 -0.005 0.000 1.078 215 L CA 1.757 56.584 54.840 -0.021 0.000 0.778 215 L CB -1.811 40.219 42.059 -0.048 0.000 0.893 215 L HN 0.197 nan 8.230 nan 0.000 0.436 216 S N 0.432 116.139 115.700 0.012 0.000 2.389 216 S HA -0.140 4.330 4.470 0.000 0.000 0.229 216 S C -0.060 174.648 174.600 0.180 0.000 1.048 216 S CA 2.445 60.692 58.200 0.079 0.000 1.117 216 S CB -1.105 62.145 63.200 0.083 0.000 1.020 216 S HN 0.336 nan 8.310 nan 0.000 0.430 217 P HA -0.082 nan 4.420 nan 0.000 0.215 217 P C 1.515 178.889 177.300 0.123 0.000 1.153 217 P CA 0.947 64.110 63.100 0.105 0.000 0.853 217 P CB -0.187 31.524 31.700 0.019 0.000 0.788 218 L N -0.020 121.242 121.223 0.064 0.000 2.191 218 L HA -0.080 4.260 4.340 0.000 0.000 0.212 218 L C 2.624 179.508 176.870 0.024 0.000 1.103 218 L CA 1.627 56.489 54.840 0.036 0.000 0.769 218 L CB -1.809 40.258 42.059 0.013 0.000 0.908 218 L HN -0.050 nan 8.230 nan 0.000 0.438 219 S N -1.994 113.717 115.700 0.018 0.000 2.387 219 S HA -0.146 4.324 4.470 0.000 0.000 0.226 219 S C 1.856 176.386 174.600 -0.117 0.000 1.026 219 S CA 0.716 58.871 58.200 -0.075 0.000 0.972 219 S CB -0.292 62.819 63.200 -0.149 0.000 0.814 219 S HN 0.397 nan 8.310 nan 0.000 0.477 220 Y N 1.549 121.812 120.300 -0.060 0.000 2.274 220 Y HA 0.004 4.554 4.550 0.000 0.000 0.290 220 Y C 2.001 177.890 175.900 -0.018 0.000 1.145 220 Y CA 0.757 58.829 58.100 -0.048 0.000 1.203 220 Y CB -0.330 38.112 38.460 -0.031 0.000 0.984 220 Y HN 0.238 nan 8.280 nan 0.000 0.533 221 I N -1.055 119.583 120.570 0.113 0.000 2.233 221 I HA -0.277 3.893 4.170 0.000 0.000 0.243 221 I C 2.574 178.681 176.117 -0.016 0.000 1.093 221 I CA 0.995 62.329 61.300 0.058 0.000 1.380 221 I CB -0.641 37.377 38.000 0.031 0.000 1.067 221 I HN 0.159 nan 8.210 nan 0.000 0.413 222 A N 1.001 123.799 122.820 -0.037 0.000 1.883 222 A HA -0.226 4.094 4.320 0.000 0.000 0.217 222 A C 2.536 180.091 177.584 -0.047 0.000 1.186 222 A CA 2.079 54.080 52.037 -0.061 0.000 0.624 222 A CB -0.903 18.063 19.000 -0.057 0.000 0.822 222 A HN 0.441 nan 8.150 nan 0.000 0.444 223 A N -0.360 122.426 122.820 -0.057 0.000 1.972 223 A HA 0.160 4.480 4.320 0.000 0.000 0.219 223 A C 2.462 180.092 177.584 0.076 0.000 1.169 223 A CA 2.055 54.081 52.037 -0.018 0.000 0.635 223 A CB -0.900 17.980 19.000 -0.199 0.000 0.810 223 A HN 1.067 nan 8.150 nan 0.000 0.446 224 A N 0.734 123.605 122.820 0.085 0.000 1.898 224 A HA -0.075 4.245 4.320 0.000 0.000 0.216 224 A C 2.087 179.788 177.584 0.195 0.000 1.181 224 A CA 1.474 53.635 52.037 0.207 0.000 0.620 224 A CB -0.757 18.423 19.000 0.301 0.000 0.819 224 A HN 0.956 nan 8.150 nan 0.000 0.442 225 I N -1.834 118.673 120.570 -0.106 0.000 2.928 225 I HA -0.039 4.131 4.170 0.000 0.000 0.266 225 I C 1.610 177.696 176.117 -0.051 0.000 1.234 225 I CA 1.501 62.613 61.300 -0.313 0.000 1.483 225 I CB -0.205 37.472 38.000 -0.540 0.000 1.097 225 I HN 0.261 nan 8.210 nan 0.000 0.455 226 S N 0.479 116.188 115.700 0.014 0.000 2.597 226 S HA 0.423 4.893 4.470 0.000 0.000 0.224 226 S C 1.475 176.126 174.600 0.085 0.000 0.955 226 S CA 0.092 58.316 58.200 0.041 0.000 0.933 226 S CB 0.049 63.266 63.200 0.028 0.000 0.788 226 S HN 0.772 nan 8.310 nan 0.000 0.488 227 G N 2.210 111.092 108.800 0.136 0.000 2.221 227 G HA2 -0.298 3.663 3.960 0.000 0.000 0.265 227 G HA3 -0.298 3.663 3.960 0.000 0.000 0.265 227 G C -0.046 174.935 174.900 0.135 0.000 1.041 227 G CA 0.163 45.350 45.100 0.145 0.000 0.807 227 G HN 0.777 nan 8.290 nan 0.000 0.502 228 H N 0.743 119.853 119.070 0.068 0.000 3.034 228 H HA 0.084 4.640 4.556 0.000 0.000 0.324 228 H C -0.577 174.802 175.328 0.084 0.000 1.015 228 H CA -0.235 55.842 56.048 0.050 0.000 1.429 228 H CB 0.900 30.675 29.762 0.021 0.000 1.429 228 H HN 0.117 nan 8.280 nan 0.000 0.585 229 P HA -0.179 nan 4.420 nan 0.000 0.216 229 P C 1.041 178.483 177.300 0.237 0.000 1.154 229 P CA 1.745 64.838 63.100 -0.011 0.000 0.865 229 P CB 0.287 31.890 31.700 -0.160 0.000 0.789 230 D N -1.466 119.197 120.400 0.438 0.000 2.333 230 D HA -0.017 4.623 4.640 0.000 0.000 0.208 230 D C 0.364 176.890 176.300 0.377 0.000 0.984 230 D CA 0.218 54.486 54.000 0.445 0.000 0.873 230 D CB -0.457 40.547 40.800 0.340 0.000 0.935 230 D HN -0.085 nan 8.370 nan 0.000 0.521 231 S N 0.730 116.646 115.700 0.361 0.000 2.596 231 S HA -0.003 4.467 4.470 0.000 0.000 0.298 231 S C 0.017 174.724 174.600 0.178 0.000 1.255 231 S CA 0.013 58.347 58.200 0.223 0.000 1.083 231 S CB 0.000 63.330 63.200 0.215 0.000 0.837 231 S HN -0.010 nan 8.310 nan 0.000 0.499 232 K N 3.441 123.896 120.400 0.092 0.000 2.203 232 K HA 0.617 4.938 4.320 0.000 0.000 0.251 232 K C -0.173 176.466 176.600 0.065 0.000 0.944 232 K CA -0.765 55.513 56.287 -0.017 0.000 0.829 232 K CB 1.771 34.214 32.500 -0.095 0.000 1.125 232 K HN 0.577 nan 8.250 nan 0.000 0.430 233 V N -1.585 118.356 119.914 0.045 0.000 3.141 233 V HA 0.500 4.620 4.120 0.000 0.000 0.312 233 V C -0.722 175.422 176.094 0.083 0.000 1.157 233 V CA -0.873 61.475 62.300 0.080 0.000 1.041 233 V CB 2.218 34.065 31.823 0.039 0.000 1.071 233 V HN 0.873 nan 8.190 nan 0.000 0.441 234 H N 0.836 119.914 119.070 0.015 0.000 2.469 234 H HA 0.877 5.433 4.556 0.000 0.000 0.342 234 H C -1.646 173.686 175.328 0.007 0.000 1.115 234 H CA -0.320 55.744 56.048 0.027 0.000 1.204 234 H CB 1.955 31.742 29.762 0.043 0.000 1.492 234 H HN 0.713 nan 8.280 nan 0.000 0.499 235 V N 4.120 123.706 119.914 -0.546 0.000 3.188 235 V HA 0.226 4.346 4.120 0.000 0.000 0.305 235 V C -0.642 175.273 176.094 -0.299 0.000 1.232 235 V CA -0.918 61.216 62.300 -0.277 0.000 1.043 235 V CB 2.369 34.152 31.823 -0.066 0.000 1.068 235 V HN 0.566 nan 8.190 nan 0.000 0.439 236 V N 1.794 121.685 119.914 -0.038 0.000 2.284 236 V HA 0.436 4.556 4.120 0.000 0.000 0.274 236 V C -0.963 175.228 176.094 0.161 0.000 1.023 236 V CA -0.338 61.985 62.300 0.038 0.000 0.808 236 V CB 0.793 32.661 31.823 0.075 0.000 1.035 236 V HN 0.897 nan 8.190 nan 0.000 0.445 237 H N 4.372 123.449 119.070 0.012 0.000 2.505 237 H HA 0.394 4.950 4.556 0.000 0.000 0.338 237 H C 0.556 175.875 175.328 -0.015 0.000 1.057 237 H CA -0.415 55.638 56.048 0.009 0.000 1.202 237 H CB 1.110 30.854 29.762 -0.030 0.000 1.466 237 H HN 0.888 nan 8.280 nan 0.000 0.499 238 E N 3.104 123.061 120.200 -0.404 0.000 2.210 238 E HA -0.289 4.061 4.350 0.000 0.000 0.201 238 E C 0.650 177.183 176.600 -0.112 0.000 1.339 238 E CA 0.874 57.100 56.400 -0.289 0.000 0.699 238 E CB -1.878 27.621 29.700 -0.336 0.000 1.126 238 E HN 1.124 nan 8.360 nan 0.000 0.355 239 G N 1.439 110.203 108.800 -0.059 0.000 5.259 239 G HA2 -0.443 3.518 3.960 0.000 0.000 0.288 239 G HA3 -0.443 3.518 3.960 0.000 0.000 0.288 239 G C 0.284 175.190 174.900 0.010 0.000 1.534 239 G CA 0.625 45.715 45.100 -0.017 0.000 1.031 239 G HN 0.869 nan 8.290 nan 0.000 0.724 240 K N 2.578 122.985 120.400 0.012 0.000 2.234 240 K HA 0.434 4.754 4.320 0.000 0.000 0.251 240 K C 0.273 176.897 176.600 0.039 0.000 1.011 240 K CA 0.615 56.922 56.287 0.034 0.000 0.889 240 K CB 0.433 32.952 32.500 0.032 0.000 1.011 240 K HN 0.830 nan 8.250 nan 0.000 0.505 241 E N 0.685 120.916 120.200 0.051 0.000 2.207 241 E HA 0.389 4.739 4.350 0.000 0.000 0.270 241 E C -1.163 175.440 176.600 0.006 0.000 0.927 241 E CA -1.168 55.236 56.400 0.007 0.000 0.799 241 E CB 1.694 31.448 29.700 0.090 0.000 1.172 241 E HN 0.675 nan 8.360 nan 0.000 0.404 242 K N 1.897 122.247 120.400 -0.084 0.000 2.555 242 K HA 0.521 4.841 4.320 0.000 0.000 0.279 242 K C -1.008 175.555 176.600 -0.062 0.000 0.986 242 K CA -0.920 55.352 56.287 -0.024 0.000 0.880 242 K CB 1.422 33.909 32.500 -0.021 0.000 1.474 242 K HN 0.454 nan 8.250 nan 0.000 0.433 243 I N 2.790 123.365 120.570 0.009 0.000 2.339 243 I HA 0.350 4.520 4.170 0.000 0.000 0.290 243 I C -0.541 175.539 176.117 -0.062 0.000 0.994 243 I CA -0.817 60.485 61.300 0.004 0.000 1.191 243 I CB 0.921 38.967 38.000 0.078 0.000 1.343 243 I HN 0.360 nan 8.210 nan 0.000 0.458 244 L N 5.016 126.197 121.223 -0.070 0.000 2.230 244 L HA 0.553 4.893 4.340 0.000 0.000 0.255 244 L C -0.812 176.000 176.870 -0.097 0.000 1.039 244 L CA -1.092 53.709 54.840 -0.065 0.000 0.846 244 L CB 1.015 43.067 42.059 -0.011 0.000 1.419 244 L HN 0.280 nan 8.230 nan 0.000 0.435 245 Y N -0.305 120.007 120.300 0.020 0.000 2.299 245 Y HA 0.188 4.738 4.550 0.000 0.000 0.335 245 Y C 1.304 177.235 175.900 0.053 0.000 1.287 245 Y CA 0.634 58.763 58.100 0.048 0.000 1.424 245 Y CB 1.019 39.503 38.460 0.040 0.000 1.326 245 Y HN 0.669 nan 8.280 nan 0.000 0.567 246 A N 1.934 124.902 122.820 0.247 0.000 1.883 246 A HA -0.197 4.123 4.320 0.000 0.000 0.217 246 A C 2.194 179.883 177.584 0.174 0.000 1.186 246 A CA 1.857 54.017 52.037 0.204 0.000 0.624 246 A CB -0.512 18.648 19.000 0.265 0.000 0.822 246 A HN 0.921 nan 8.150 nan 0.000 0.444 247 R N -0.824 119.780 120.500 0.174 0.000 2.073 247 R HA -0.113 4.227 4.340 0.000 0.000 0.234 247 R C 2.233 178.583 176.300 0.084 0.000 1.134 247 R CA 1.275 57.444 56.100 0.115 0.000 0.952 247 R CB -0.348 29.995 30.300 0.072 0.000 0.850 247 R HN 0.501 nan 8.270 nan 0.000 0.433 248 E N 0.895 121.154 120.200 0.098 0.000 2.209 248 E HA -0.106 4.244 4.350 0.000 0.000 0.196 248 E C 0.555 177.160 176.600 0.009 0.000 0.993 248 E CA 0.888 57.319 56.400 0.052 0.000 0.819 248 E CB -0.004 29.754 29.700 0.097 0.000 0.745 248 E HN 0.285 nan 8.360 nan 0.000 0.477 252 L N -0.452 120.656 121.223 -0.190 0.000 2.376 252 L HA 0.311 4.651 4.340 0.000 0.000 0.219 252 L C 0.762 177.191 176.870 -0.735 0.000 1.133 252 L CA 1.907 56.452 54.840 -0.492 0.000 0.816 252 L CB -0.572 41.051 42.059 -0.726 0.000 0.933 252 L HN 0.458 nan 8.230 nan 0.000 0.449 253 F N -1.426 118.426 119.950 -0.164 0.000 2.775 253 F HA 0.263 4.790 4.527 0.000 0.000 0.313 253 F C 0.765 176.531 175.800 -0.057 0.000 1.121 253 F CA -0.672 57.204 58.000 -0.206 0.000 1.206 253 F CB -0.604 38.169 39.000 -0.377 0.000 1.052 253 F HN -0.022 nan 8.300 nan 0.000 0.524 254 N N 1.311 120.056 118.700 0.075 0.000 2.727 254 N HA -0.204 4.536 4.740 0.000 0.000 0.249 254 N C -0.926 174.670 175.510 0.143 0.000 1.048 254 N CA 0.199 53.303 53.050 0.089 0.000 0.714 254 N CB -1.157 37.375 38.487 0.075 0.000 0.959 254 N HN 0.271 nan 8.380 nan 0.000 0.544 255 L N -0.312 121.016 121.223 0.174 0.000 2.334 255 L HA 0.606 4.947 4.340 0.000 0.000 0.275 255 L C 0.385 177.345 176.870 0.150 0.000 1.036 255 L CA -0.681 54.276 54.840 0.195 0.000 0.807 255 L CB 1.589 43.810 42.059 0.271 0.000 1.231 255 L HN 0.037 nan 8.230 nan 0.000 0.438 256 E N 2.729 123.008 120.200 0.131 0.000 2.222 256 E HA 0.411 4.761 4.350 0.000 0.000 0.267 256 E C -2.411 174.250 176.600 0.102 0.000 0.884 256 E CA -1.858 54.602 56.400 0.100 0.000 0.764 256 E CB 1.510 31.252 29.700 0.069 0.000 1.169 256 E HN 0.235 nan 8.360 nan 0.000 0.413 257 P HA 0.006 nan 4.420 nan 0.000 0.263 257 P C -0.537 176.791 177.300 0.047 0.000 1.195 257 P CA -0.111 63.038 63.100 0.082 0.000 0.762 257 P CB 0.506 32.251 31.700 0.074 0.000 0.799 258 V N 4.979 124.909 119.914 0.027 0.000 2.508 258 V HA 0.008 4.128 4.120 0.000 0.000 0.281 258 V C 0.734 176.831 176.094 0.005 0.000 1.041 258 V CA -0.247 62.057 62.300 0.007 0.000 1.016 258 V CB 1.242 33.052 31.823 -0.021 0.000 0.984 258 V HN 0.302 nan 8.190 nan 0.000 0.478 259 V N 7.318 127.237 119.914 0.008 0.000 2.385 259 V HA 0.285 4.405 4.120 0.000 0.000 0.269 259 V C 0.329 176.425 176.094 0.003 0.000 1.043 259 V CA -0.469 61.835 62.300 0.007 0.000 0.906 259 V CB 1.036 32.863 31.823 0.008 0.000 0.995 259 V HN 0.600 nan 8.190 nan 0.000 0.467 260 L N 4.552 125.776 121.223 0.002 0.000 2.456 260 L HA 0.402 4.742 4.340 0.000 0.000 0.272 260 L C 1.129 178.002 176.870 0.005 0.000 1.189 260 L CA 0.451 55.291 54.840 0.001 0.000 0.846 260 L CB 0.324 42.383 42.059 0.001 0.000 1.111 260 L HN 0.781 nan 8.230 nan 0.000 0.475 261 G N 2.589 111.393 108.800 0.006 0.000 2.705 261 G HA2 0.524 4.484 3.960 0.000 0.000 0.299 261 G HA3 0.524 4.484 3.960 0.000 0.000 0.299 261 G C -2.740 172.166 174.900 0.010 0.000 1.315 261 G CA -1.470 43.635 45.100 0.008 0.000 1.045 261 G HN 0.350 nan 8.290 nan 0.000 0.517 262 P HA 0.051 nan 4.420 nan 0.000 0.261 262 P C 0.323 177.635 177.300 0.019 0.000 1.183 262 P CA 0.526 63.633 63.100 0.012 0.000 0.761 262 P CB 0.713 32.417 31.700 0.007 0.000 0.785 263 K N 2.074 122.487 120.400 0.023 0.000 3.349 263 K HA -0.288 4.032 4.320 0.000 0.000 0.310 263 K C 0.670 177.288 176.600 0.030 0.000 1.267 263 K CA 1.177 57.483 56.287 0.031 0.000 0.920 263 K CB -0.788 31.737 32.500 0.041 0.000 1.240 263 K HN 0.529 nan 8.250 nan 0.000 0.453 264 E N -1.183 119.030 120.200 0.021 0.000 2.170 264 E HA -0.051 4.299 4.350 0.000 0.000 0.191 264 E C 1.860 178.465 176.600 0.008 0.000 0.981 264 E CA 0.879 57.288 56.400 0.015 0.000 0.830 264 E CB 0.004 29.709 29.700 0.008 0.000 0.775 264 E HN 0.543 nan 8.360 nan 0.000 0.470 265 G N 1.087 109.892 108.800 0.007 0.000 2.394 265 G HA2 -0.203 3.757 3.960 0.000 0.000 0.214 265 G HA3 -0.203 3.757 3.960 0.000 0.000 0.214 265 G C 1.465 176.367 174.900 0.004 0.000 1.176 265 G CA 0.339 45.439 45.100 0.000 0.000 0.786 265 G HN 0.054 nan 8.290 nan 0.000 0.533 266 L N 1.560 122.793 121.223 0.017 0.000 2.131 266 L HA 0.115 4.455 4.340 0.000 0.000 0.210 266 L C 2.930 179.818 176.870 0.029 0.000 1.092 266 L CA 1.586 56.441 54.840 0.024 0.000 0.759 266 L CB -0.913 41.168 42.059 0.037 0.000 0.903 266 L HN 0.250 nan 8.230 nan 0.000 0.435 267 G N -1.408 107.410 108.800 0.029 0.000 2.426 267 G HA2 -0.073 3.887 3.960 0.000 0.000 0.214 267 G HA3 -0.073 3.887 3.960 0.000 0.000 0.214 267 G C 1.645 176.557 174.900 0.020 0.000 1.156 267 G CA 0.189 45.309 45.100 0.034 0.000 0.802 267 G HN 0.226 nan 8.290 nan 0.000 0.534 268 L N 1.000 122.227 121.223 0.006 0.000 1.950 268 L HA 0.019 4.360 4.340 0.000 0.000 0.210 268 L C 1.665 178.532 176.870 -0.005 0.000 1.079 268 L CA 0.851 55.687 54.840 -0.007 0.000 0.754 268 L CB -0.420 41.627 42.059 -0.021 0.000 0.889 268 L HN 0.157 nan 8.230 nan 0.000 0.433 269 V N -0.226 119.681 119.914 -0.012 0.000 2.324 269 V HA 0.212 4.332 4.120 0.000 0.000 0.244 269 V C -0.356 175.735 176.094 -0.005 0.000 1.144 269 V CA -0.037 62.255 62.300 -0.014 0.000 1.158 269 V CB -0.940 30.862 31.823 -0.035 0.000 1.254 269 V HN 0.561 nan 8.190 nan 0.000 0.492 270 N N 2.731 121.437 118.700 0.010 0.000 3.134 270 N HA 0.548 5.288 4.740 0.000 0.000 0.235 270 N C -0.429 175.111 175.510 0.050 0.000 1.092 270 N CA 0.096 53.162 53.050 0.026 0.000 1.038 270 N CB 1.741 40.253 38.487 0.040 0.000 1.684 270 N HN 1.185 nan 8.380 nan 0.000 0.551 271 G N 0.326 109.175 108.800 0.081 0.000 2.434 271 G HA2 -0.052 3.908 3.960 0.000 0.000 0.671 271 G HA3 -0.052 3.908 3.960 0.000 0.000 0.671 271 G C -0.226 174.722 174.900 0.080 0.000 1.280 271 G CA -0.092 45.065 45.100 0.095 0.000 0.975 271 G HN 0.842 nan 8.290 nan 0.000 0.510 272 T N -2.886 111.707 114.554 0.066 0.000 3.355 272 T HA 0.666 5.016 4.350 0.000 0.000 0.276 272 T C 1.676 176.391 174.700 0.025 0.000 1.003 272 T CA 1.011 63.141 62.100 0.050 0.000 0.943 272 T CB 0.800 69.703 68.868 0.058 0.000 1.158 272 T HN 2.016 nan 8.240 nan 0.000 0.513 273 A N 1.088 123.919 122.820 0.018 0.000 1.972 273 A HA 0.094 4.415 4.320 0.000 0.000 0.219 273 A C 2.215 179.800 177.584 0.002 0.000 1.169 273 A CA 1.410 53.450 52.037 0.004 0.000 0.635 273 A CB -0.764 18.235 19.000 -0.001 0.000 0.810 273 A HN 0.491 nan 8.150 nan 0.000 0.446 274 V N -0.376 119.542 119.914 0.007 0.000 2.307 274 V HA -0.188 3.932 4.120 0.000 0.000 0.245 274 V C 2.742 178.836 176.094 0.000 0.000 1.045 274 V CA 2.224 64.525 62.300 0.002 0.000 1.024 274 V CB -0.858 30.968 31.823 0.004 0.000 0.651 274 V HN 0.543 nan 8.190 nan 0.000 0.449 275 S N 0.526 116.230 115.700 0.006 0.000 2.356 275 S HA -0.165 4.306 4.470 0.000 0.000 0.223 275 S C 2.264 176.865 174.600 0.000 0.000 1.032 275 S CA 1.458 59.661 58.200 0.006 0.000 1.005 275 S CB -0.566 62.643 63.200 0.015 0.000 0.867 275 S HN 0.638 nan 8.310 nan 0.000 0.449 276 A N 1.292 124.111 122.820 -0.001 0.000 1.908 276 A HA -0.031 4.289 4.320 0.000 0.000 0.218 276 A C 1.632 179.209 177.584 -0.012 0.000 1.181 276 A CA 1.317 53.349 52.037 -0.008 0.000 0.627 276 A CB -0.908 18.085 19.000 -0.012 0.000 0.818 276 A HN 0.450 nan 8.150 nan 0.000 0.445 280 T N 1.458 116.013 114.554 0.002 0.000 2.684 280 T HA -0.102 4.248 4.350 0.000 0.000 0.267 280 T C 1.777 176.507 174.700 0.050 0.000 1.036 280 T CA 1.858 63.969 62.100 0.019 0.000 1.148 280 T CB -0.290 68.577 68.868 -0.001 0.000 0.863 280 T HN 0.176 nan 8.240 nan 0.000 0.436 281 L N 1.159 122.390 121.223 0.013 0.000 2.046 281 L HA 0.049 4.389 4.340 0.000 0.000 0.208 281 L C 2.853 179.757 176.870 0.057 0.000 1.077 281 L CA 1.603 56.445 54.840 0.002 0.000 0.747 281 L CB -1.721 40.317 42.059 -0.035 0.000 0.896 281 L HN 0.260 nan 8.230 nan 0.000 0.432 282 A N -0.879 121.961 122.820 0.033 0.000 1.898 282 A HA -0.187 4.133 4.320 0.000 0.000 0.216 282 A C 2.278 179.877 177.584 0.024 0.000 1.181 282 A CA 1.509 53.562 52.037 0.026 0.000 0.620 282 A CB -0.733 18.270 19.000 0.005 0.000 0.819 282 A HN 0.330 nan 8.150 nan 0.000 0.442 283 L N -0.397 120.840 121.223 0.023 0.000 2.017 283 L HA -0.203 4.138 4.340 0.000 0.000 0.208 283 L C 2.438 179.313 176.870 0.008 0.000 1.073 283 L CA 2.727 57.546 54.840 -0.035 0.000 0.745 283 L CB -0.937 41.132 42.059 0.017 0.000 0.894 283 L HN 0.662 nan 8.230 nan 0.000 0.432 284 H N -0.277 118.835 119.070 0.071 0.000 2.289 284 H HA -0.211 4.345 4.556 0.000 0.000 0.294 284 H C 1.657 177.036 175.328 0.085 0.000 1.095 284 H CA 2.402 58.536 56.048 0.144 0.000 1.256 284 H CB -0.151 29.667 29.762 0.093 0.000 1.359 284 H HN 0.400 nan 8.280 nan 0.000 0.487 285 D N 0.483 121.033 120.400 0.250 0.000 2.178 285 D HA -0.056 4.584 4.640 0.000 0.000 0.202 285 D C 2.330 178.639 176.300 0.016 0.000 0.974 285 D CA 1.210 55.291 54.000 0.135 0.000 0.841 285 D CB -0.570 40.300 40.800 0.117 0.000 0.953 285 D HN 0.511 nan 8.370 nan 0.000 0.478 286 A N 1.228 124.030 122.820 -0.029 0.000 1.902 286 A HA -0.159 4.161 4.320 0.000 0.000 0.217 286 A C 1.253 178.777 177.584 -0.099 0.000 1.181 286 A CA 1.056 53.041 52.037 -0.085 0.000 0.623 286 A CB -0.655 18.256 19.000 -0.148 0.000 0.818 286 A HN 0.247 nan 8.150 nan 0.000 0.443 290 S N 0.514 116.229 115.700 0.024 0.000 2.359 290 S HA -0.115 4.355 4.470 0.000 0.000 0.224 290 S C 1.996 176.610 174.600 0.023 0.000 1.035 290 S CA 1.809 60.029 58.200 0.033 0.000 1.018 290 S CB -0.084 63.139 63.200 0.039 0.000 0.876 290 S HN 0.331 nan 8.310 nan 0.000 0.448 291 L N 0.607 121.834 121.223 0.007 0.000 2.017 291 L HA -0.078 4.262 4.340 0.000 0.000 0.208 291 L C 2.574 179.431 176.870 -0.022 0.000 1.073 291 L CA 1.190 56.020 54.840 -0.016 0.000 0.745 291 L CB -0.632 41.406 42.059 -0.035 0.000 0.894 291 L HN 0.377 nan 8.230 nan 0.000 0.432 292 L N -0.564 120.649 121.223 -0.017 0.000 2.083 292 L HA -0.203 4.137 4.340 0.000 0.000 0.209 292 L C 2.704 179.565 176.870 -0.014 0.000 1.083 292 L CA 1.926 56.755 54.840 -0.019 0.000 0.752 292 L CB -0.699 41.357 42.059 -0.005 0.000 0.899 292 L HN 0.170 nan 8.230 nan 0.000 0.433 293 S N -1.023 114.686 115.700 0.015 0.000 2.370 293 S HA -0.260 4.210 4.470 0.000 0.000 0.226 293 S C 1.936 176.546 174.600 0.017 0.000 1.033 293 S CA 1.693 59.917 58.200 0.041 0.000 1.011 293 S CB -0.224 63.024 63.200 0.080 0.000 0.852 293 S HN 0.720 nan 8.310 nan 0.000 0.457 294 Q N 0.185 119.985 119.800 0.000 0.000 2.224 294 Q HA 0.001 4.342 4.340 0.000 0.000 0.203 294 Q C 2.411 178.373 176.000 -0.064 0.000 0.970 294 Q CA 1.501 57.286 55.803 -0.029 0.000 0.865 294 Q CB -0.152 28.564 28.738 -0.037 0.000 0.922 294 Q HN 0.520 nan 8.270 nan 0.000 0.445 295 S N 0.931 116.595 115.700 -0.059 0.000 2.387 295 S HA -0.036 4.434 4.470 0.000 0.000 0.226 295 S C 1.902 176.452 174.600 -0.084 0.000 1.026 295 S CA 0.708 58.867 58.200 -0.067 0.000 0.972 295 S CB -0.073 63.094 63.200 -0.055 0.000 0.814 295 S HN 0.270 nan 8.310 nan 0.000 0.477 296 L N 1.121 122.276 121.223 -0.115 0.000 2.141 296 L HA -0.093 4.247 4.340 0.000 0.000 0.209 296 L C 2.586 179.381 176.870 -0.125 0.000 1.094 296 L CA 1.001 55.705 54.840 -0.226 0.000 0.763 296 L CB -0.890 40.915 42.059 -0.423 0.000 0.908 296 L HN 0.304 nan 8.230 nan 0.000 0.437 297 T N -0.076 114.453 114.554 -0.042 0.000 2.737 297 T HA -0.035 4.315 4.350 0.000 0.000 0.265 297 T C 1.155 175.842 174.700 -0.020 0.000 1.038 297 T CA 0.850 62.959 62.100 0.015 0.000 1.144 297 T CB -0.170 68.709 68.868 0.019 0.000 0.866 297 T HN 0.400 nan 8.240 nan 0.000 0.434 301 V N 2.172 122.105 119.914 0.031 0.000 2.343 301 V HA -0.159 3.961 4.120 0.000 0.000 0.247 301 V C 2.392 178.496 176.094 0.016 0.000 1.051 301 V CA 2.240 64.576 62.300 0.059 0.000 1.036 301 V CB -0.411 31.498 31.823 0.144 0.000 0.654 301 V HN 0.520 nan 8.190 nan 0.000 0.451 302 E N 0.116 120.314 120.200 -0.003 0.000 2.047 302 E HA -0.038 4.312 4.350 0.000 0.000 0.191 302 E C 1.409 177.834 176.600 -0.292 0.000 0.987 302 E CA 0.850 57.231 56.400 -0.032 0.000 0.799 302 E CB -0.213 29.499 29.700 0.021 0.000 0.752 302 E HN 0.643 nan 8.360 nan 0.000 0.449 306 G N -0.690 108.063 108.800 -0.077 0.000 2.580 306 G HA2 0.511 4.471 3.960 0.000 0.000 0.278 306 G HA3 0.511 4.471 3.960 0.000 0.000 0.278 306 G C -0.524 174.285 174.900 -0.151 0.000 1.212 306 G CA -0.350 44.647 45.100 -0.172 0.000 0.939 306 G HN 0.422 nan 8.290 nan 0.000 0.513 307 H N 0.047 119.138 119.070 0.035 0.000 2.620 307 H HA 0.368 4.924 4.556 0.000 0.000 0.313 307 H C 1.086 176.424 175.328 0.017 0.000 1.075 307 H CA 0.041 56.093 56.048 0.007 0.000 1.397 307 H CB 1.583 31.332 29.762 -0.022 0.000 1.446 307 H HN 0.507 nan 8.280 nan 0.000 0.493 308 A N 3.211 126.113 122.820 0.136 0.000 2.119 308 A HA -0.010 4.310 4.320 0.000 0.000 0.216 308 A C 2.400 180.087 177.584 0.171 0.000 1.152 308 A CA 0.963 53.112 52.037 0.187 0.000 0.708 308 A CB -0.509 18.440 19.000 -0.085 0.000 0.805 308 A HN 0.797 nan 8.150 nan 0.000 0.460 309 G N -0.224 108.632 108.800 0.094 0.000 2.479 309 G HA2 -0.148 3.812 3.960 0.000 0.000 0.220 309 G HA3 -0.148 3.812 3.960 0.000 0.000 0.220 309 G C 1.564 176.447 174.900 -0.028 0.000 1.115 309 G CA 1.165 46.311 45.100 0.077 0.000 0.757 309 G HN 0.501 nan 8.290 nan 0.000 0.560 310 S N 0.387 115.910 115.700 -0.295 0.000 2.469 310 S HA -0.027 4.443 4.470 0.000 0.000 0.238 310 S C 1.131 175.436 174.600 -0.492 0.000 0.998 310 S CA 0.656 58.538 58.200 -0.529 0.000 0.957 310 S CB -0.282 62.391 63.200 -0.878 0.000 0.764 310 S HN 0.478 nan 8.310 nan 0.000 0.514 311 F N 0.047 120.152 119.950 0.258 0.000 2.668 311 F HA 0.301 4.828 4.527 0.000 0.000 0.301 311 F C 0.899 176.878 175.800 0.298 0.000 1.106 311 F CA -0.746 57.424 58.000 0.283 0.000 1.289 311 F CB -0.095 38.974 39.000 0.114 0.000 1.006 311 F HN 0.176 nan 8.300 nan 0.000 0.535 312 H N 3.422 122.660 119.070 0.280 0.000 2.886 312 H HA 0.071 4.627 4.556 0.000 0.000 0.329 312 H C -1.743 173.760 175.328 0.292 0.000 1.044 312 H CA -1.498 54.694 56.048 0.238 0.000 1.456 312 H CB 1.616 31.471 29.762 0.154 0.000 1.464 312 H HN -0.021 nan 8.280 nan 0.000 0.573 313 P HA -0.196 nan 4.420 nan 0.000 0.217 313 P C 1.410 178.895 177.300 0.308 0.000 1.148 313 P CA 1.130 64.364 63.100 0.222 0.000 0.834 313 P CB -0.181 31.559 31.700 0.067 0.000 0.783 314 F N -0.023 120.149 119.950 0.371 0.000 2.171 314 F HA -0.127 4.400 4.527 0.000 0.000 0.300 314 F C 1.672 177.494 175.800 0.036 0.000 1.090 314 F CA 1.315 59.421 58.000 0.175 0.000 1.293 314 F CB -0.507 38.556 39.000 0.106 0.000 1.013 314 F HN -0.237 nan 8.300 nan 0.000 0.486 315 L N -0.607 120.634 121.223 0.031 0.000 2.610 315 L HA -0.054 4.286 4.340 0.000 0.000 0.232 315 L C 1.314 177.804 176.870 -0.633 0.000 1.149 315 L CA 0.207 54.855 54.840 -0.320 0.000 0.872 315 L CB -0.495 41.341 42.059 -0.371 0.000 0.992 315 L HN 0.309 nan 8.230 nan 0.000 0.447 316 H N -2.208 116.872 119.070 0.016 0.000 2.356 316 H HA 0.090 4.646 4.556 0.000 0.000 0.149 316 H C 1.127 176.449 175.328 -0.009 0.000 1.057 316 H CA 0.187 56.250 56.048 0.025 0.000 1.093 316 H CB -0.278 29.529 29.762 0.075 0.000 0.960 316 H HN 0.022 nan 8.280 nan 0.000 0.316 317 D N 1.342 121.837 120.400 0.158 0.000 2.149 317 D HA -0.123 4.517 4.640 0.000 0.000 0.194 317 D C 2.072 178.366 176.300 -0.010 0.000 1.001 317 D CA 1.572 55.613 54.000 0.069 0.000 0.849 317 D CB 0.092 40.939 40.800 0.078 0.000 0.939 317 D HN 0.072 nan 8.370 nan 0.000 0.449 318 V N -0.091 119.773 119.914 -0.082 0.000 2.436 318 V HA -0.089 4.031 4.120 0.000 0.000 0.240 318 V C 2.503 178.435 176.094 -0.271 0.000 1.040 318 V CA 1.766 63.953 62.300 -0.189 0.000 1.052 318 V CB -0.648 30.995 31.823 -0.299 0.000 0.707 318 V HN 0.350 nan 8.190 nan 0.000 0.469 319 T N -1.801 112.525 114.554 -0.380 0.000 3.014 319 T HA 0.014 4.364 4.350 0.000 0.000 0.263 319 T C 1.227 175.833 174.700 -0.157 0.000 1.078 319 T CA 0.571 62.483 62.100 -0.313 0.000 1.135 319 T CB 0.093 68.722 68.868 -0.398 0.000 0.895 319 T HN 0.299 nan 8.240 nan 0.000 0.480 320 R N 1.203 121.646 120.500 -0.095 0.000 2.754 320 R HA 0.306 4.646 4.340 0.000 0.000 0.255 320 R C -2.759 173.545 176.300 0.008 0.000 1.723 320 R CA -1.618 54.473 56.100 -0.015 0.000 1.596 320 R CB 1.038 31.388 30.300 0.083 0.000 1.424 320 R HN 0.079 nan 8.270 nan 0.000 0.662 321 P HA -0.174 nan 4.420 nan 0.000 0.258 321 P C -0.579 176.673 177.300 -0.079 0.000 1.249 321 P CA 0.879 63.932 63.100 -0.077 0.000 0.751 321 P CB -0.253 31.380 31.700 -0.112 0.000 0.994 322 H N -0.333 118.754 119.070 0.028 0.000 3.082 322 H HA 0.028 4.584 4.556 0.000 0.000 0.275 322 H C -1.201 174.144 175.328 0.028 0.000 1.032 322 H CA -1.303 54.761 56.048 0.026 0.000 1.477 322 H CB 0.295 30.074 29.762 0.029 0.000 1.520 322 H HN 0.098 nan 8.280 nan 0.000 0.521 323 P HA -0.254 nan 4.420 nan 0.000 0.218 323 P C 1.710 179.049 177.300 0.065 0.000 1.165 323 P CA 2.793 65.935 63.100 0.070 0.000 0.922 323 P CB 0.098 31.833 31.700 0.057 0.000 0.794 324 T N -3.510 111.086 114.554 0.070 0.000 2.915 324 T HA -0.177 4.173 4.350 0.000 0.000 0.269 324 T C 1.936 176.658 174.700 0.035 0.000 1.071 324 T CA 1.113 63.237 62.100 0.041 0.000 1.132 324 T CB -0.857 68.028 68.868 0.029 0.000 0.878 324 T HN 0.206 nan 8.240 nan 0.000 0.479 325 Q N 0.609 120.452 119.800 0.072 0.000 2.119 325 Q HA -0.005 4.335 4.340 0.000 0.000 0.201 325 Q C 2.246 178.241 176.000 -0.009 0.000 0.972 325 Q CA 1.189 57.029 55.803 0.063 0.000 0.847 325 Q CB -0.331 28.505 28.738 0.163 0.000 0.903 325 Q HN 0.636 nan 8.270 nan 0.000 0.433 326 I N 0.709 121.302 120.570 0.037 0.000 2.252 326 I HA -0.264 3.906 4.170 0.000 0.000 0.245 326 I C 2.502 178.601 176.117 -0.031 0.000 1.102 326 I CA 1.474 62.780 61.300 0.011 0.000 1.385 326 I CB -0.324 37.708 38.000 0.053 0.000 1.064 326 I HN 0.395 nan 8.210 nan 0.000 0.414 327 E N 0.913 121.105 120.200 -0.012 0.000 2.058 327 E HA -0.210 4.140 4.350 0.000 0.000 0.194 327 E C 2.278 178.852 176.600 -0.042 0.000 0.997 327 E CA 1.728 58.115 56.400 -0.022 0.000 0.801 327 E CB 0.105 29.799 29.700 -0.010 0.000 0.746 327 E HN 0.263 nan 8.360 nan 0.000 0.450 328 V N 1.228 121.115 119.914 -0.044 0.000 2.358 328 V HA -0.225 3.895 4.120 0.000 0.000 0.246 328 V C 2.507 178.547 176.094 -0.090 0.000 1.047 328 V CA 1.719 63.988 62.300 -0.050 0.000 1.035 328 V CB -0.745 31.071 31.823 -0.012 0.000 0.658 328 V HN 0.472 nan 8.190 nan 0.000 0.452 329 A N 0.566 123.298 122.820 -0.146 0.000 1.940 329 A HA -0.122 4.198 4.320 0.000 0.000 0.219 329 A C 2.406 179.948 177.584 -0.071 0.000 1.176 329 A CA 2.014 53.957 52.037 -0.158 0.000 0.631 329 A CB -1.200 17.424 19.000 -0.626 0.000 0.814 329 A HN 0.534 nan 8.150 nan 0.000 0.446 330 G N -0.310 108.450 108.800 -0.067 0.000 2.418 330 G HA2 -0.270 3.690 3.960 0.000 0.000 0.217 330 G HA3 -0.270 3.690 3.960 0.000 0.000 0.217 330 G C 1.439 176.305 174.900 -0.056 0.000 1.158 330 G CA 1.085 46.164 45.100 -0.036 0.000 0.771 330 G HN 0.714 nan 8.290 nan 0.000 0.545 331 N N 0.043 118.697 118.700 -0.078 0.000 2.142 331 N HA -0.025 4.715 4.740 0.000 0.000 0.186 331 N C 2.167 177.596 175.510 -0.136 0.000 1.023 331 N CA 0.783 53.780 53.050 -0.088 0.000 0.852 331 N CB -0.115 38.324 38.487 -0.080 0.000 0.998 331 N HN 0.306 nan 8.380 nan 0.000 0.424 332 I N 0.803 121.235 120.570 -0.229 0.000 2.202 332 I HA -0.207 3.963 4.170 0.000 0.000 0.242 332 I C 2.601 178.515 176.117 -0.337 0.000 1.091 332 I CA 0.774 61.833 61.300 -0.401 0.000 1.368 332 I CB -0.232 37.275 38.000 -0.822 0.000 1.058 332 I HN 0.114 nan 8.210 nan 0.000 0.410 333 R N 1.575 121.939 120.500 -0.227 0.000 2.103 333 R HA -0.252 4.088 4.340 0.000 0.000 0.242 333 R C 2.325 178.621 176.300 -0.006 0.000 1.142 333 R CA 1.831 57.917 56.100 -0.024 0.000 0.960 333 R CB -0.192 30.156 30.300 0.080 0.000 0.858 333 R HN 0.269 nan 8.270 nan 0.000 0.439 334 K N 0.506 120.886 120.400 -0.033 0.000 2.057 334 K HA -0.133 4.187 4.320 0.000 0.000 0.207 334 K C 2.149 178.744 176.600 -0.009 0.000 1.049 334 K CA 1.390 57.669 56.287 -0.013 0.000 0.931 334 K CB -0.089 32.395 32.500 -0.027 0.000 0.714 334 K HN 0.227 nan 8.250 nan 0.000 0.440 335 L N 0.622 121.821 121.223 -0.040 0.000 2.141 335 L HA -0.160 4.180 4.340 0.000 0.000 0.209 335 L C 2.015 178.895 176.870 0.017 0.000 1.094 335 L CA 0.355 55.181 54.840 -0.024 0.000 0.763 335 L CB -0.227 41.797 42.059 -0.059 0.000 0.908 335 L HN 0.174 nan 8.230 nan 0.000 0.437 336 L N -0.257 120.978 121.223 0.020 0.000 2.478 336 L HA 0.040 4.380 4.340 0.000 0.000 0.223 336 L C 0.951 177.945 176.870 0.207 0.000 1.140 336 L CA 0.722 55.622 54.840 0.099 0.000 0.842 336 L CB -0.716 41.388 42.059 0.075 0.000 0.953 336 L HN 0.166 nan 8.230 nan 0.000 0.452 337 E N -0.651 119.643 120.200 0.156 0.000 2.384 337 E HA 0.303 4.653 4.350 0.000 0.000 0.266 337 E C 1.193 177.865 176.600 0.120 0.000 1.012 337 E CA 0.671 57.169 56.400 0.163 0.000 0.901 337 E CB 0.149 29.902 29.700 0.088 0.000 0.967 337 E HN 0.309 nan 8.360 nan 0.000 0.435 338 G N 2.760 111.607 108.800 0.078 0.000 2.162 338 G HA2 -0.324 3.636 3.960 0.000 0.000 0.260 338 G HA3 -0.324 3.636 3.960 0.000 0.000 0.260 338 G C 0.356 175.303 174.900 0.078 0.000 0.976 338 G CA 0.438 45.556 45.100 0.030 0.000 0.655 338 G HN 0.528 nan 8.290 nan 0.000 0.533 339 S N -0.470 115.346 115.700 0.192 0.000 2.523 339 S HA 0.549 5.019 4.470 0.000 0.000 0.275 339 S C 1.344 176.099 174.600 0.259 0.000 1.281 339 S CA -0.260 58.080 58.200 0.232 0.000 1.050 339 S CB 0.665 64.039 63.200 0.291 0.000 0.937 339 S HN 0.388 nan 8.310 nan 0.000 0.492 340 R N 3.063 123.646 120.500 0.139 0.000 2.388 340 R HA 0.193 4.533 4.340 0.000 0.000 0.247 340 R C 0.005 176.397 176.300 0.152 0.000 0.931 340 R CA 0.166 56.349 56.100 0.139 0.000 1.082 340 R CB 0.089 30.464 30.300 0.124 0.000 1.135 340 R HN 0.605 nan 8.270 nan 0.000 0.525 341 F N 0.142 120.250 119.950 0.264 0.000 2.514 341 F HA 0.321 4.848 4.527 0.000 0.000 0.281 341 F C 1.271 177.171 175.800 0.165 0.000 1.060 341 F CA -0.460 57.642 58.000 0.170 0.000 1.397 341 F CB -0.105 38.900 39.000 0.009 0.000 1.129 341 F HN -0.143 nan 8.300 nan 0.000 0.620 342 A N 0.855 123.885 122.820 0.350 0.000 2.354 342 A HA 0.534 4.854 4.320 0.000 0.000 0.269 342 A C -0.258 177.422 177.584 0.159 0.000 1.109 342 A CA -0.386 51.759 52.037 0.180 0.000 0.800 342 A CB 0.193 19.240 19.000 0.079 0.000 1.045 342 A HN -0.056 nan 8.150 nan 0.000 0.489 343 V N 2.219 122.207 119.914 0.123 0.000 2.614 343 V HA 0.123 4.244 4.120 0.000 0.000 0.291 343 V C 0.607 176.757 176.094 0.094 0.000 1.049 343 V CA 0.436 62.850 62.300 0.191 0.000 1.038 343 V CB 0.525 32.520 31.823 0.288 0.000 0.980 343 V HN 1.019 nan 8.190 nan 0.000 0.481 344 H N 2.341 121.556 119.070 0.243 0.000 2.755 344 H HA 0.287 4.843 4.556 0.000 0.000 0.273 344 H C 0.055 175.596 175.328 0.356 0.000 1.055 344 H CA 0.272 56.492 56.048 0.287 0.000 1.191 344 H CB 0.222 30.148 29.762 0.274 0.000 1.536 344 H HN 0.861 nan 8.280 nan 0.000 0.529 345 H N -1.083 118.088 119.070 0.169 0.000 3.027 345 H HA 0.090 4.646 4.556 0.000 0.000 0.290 345 H C -0.628 174.733 175.328 0.055 0.000 1.190 345 H CA -0.807 55.289 56.048 0.079 0.000 1.637 345 H CB 0.225 30.034 29.762 0.079 0.000 2.214 345 H HN 0.157 nan 8.280 nan 0.000 0.451 360 Q N -0.667 119.206 119.800 0.123 0.000 2.480 360 Q HA -0.119 4.221 4.340 0.000 0.000 0.277 360 Q C -1.547 174.517 176.000 0.106 0.000 1.005 360 Q CA 0.538 56.404 55.803 0.104 0.000 1.005 360 Q CB -1.191 27.591 28.738 0.074 0.000 1.263 360 Q HN 0.550 nan 8.270 nan 0.000 0.554 361 D N 0.601 121.081 120.400 0.134 0.000 2.382 361 D HA 0.194 4.835 4.640 0.000 0.000 0.245 361 D C 0.370 176.723 176.300 0.088 0.000 1.120 361 D CA -0.020 54.025 54.000 0.075 0.000 0.890 361 D CB 0.744 41.585 40.800 0.069 0.000 1.201 361 D HN 0.080 nan 8.370 nan 0.000 0.433 362 R N 1.832 122.377 120.500 0.075 0.000 2.615 362 R HA 0.113 4.453 4.340 0.000 0.000 0.270 362 R C 0.844 177.265 176.300 0.203 0.000 1.081 362 R CA -0.548 55.632 56.100 0.133 0.000 1.154 362 R CB 0.267 30.590 30.300 0.039 0.000 1.063 362 R HN 0.488 nan 8.270 nan 0.000 0.519 363 Y N 1.347 121.620 120.300 -0.046 0.000 2.062 363 Y HA -0.208 4.342 4.550 0.000 0.000 0.276 363 Y C -0.625 175.227 175.900 -0.080 0.000 1.189 363 Y CA 1.656 59.723 58.100 -0.055 0.000 1.130 363 Y CB -1.837 36.576 38.460 -0.077 0.000 0.959 363 Y HN 0.588 nan 8.280 nan 0.000 0.499 364 P HA -0.188 nan 4.420 nan 0.000 0.218 364 P C 1.430 178.742 177.300 0.020 0.000 1.146 364 P CA 1.815 64.889 63.100 -0.044 0.000 0.820 364 P CB -0.081 31.573 31.700 -0.075 0.000 0.778 365 L N -2.549 118.712 121.223 0.063 0.000 2.445 365 L HA 0.204 4.544 4.340 0.000 0.000 0.207 365 L C 2.623 179.564 176.870 0.119 0.000 1.053 365 L CA 0.209 55.127 54.840 0.130 0.000 0.841 365 L CB -0.407 41.725 42.059 0.121 0.000 1.074 365 L HN -0.255 nan 8.230 nan 0.000 0.479 366 R N 0.711 121.228 120.500 0.028 0.000 2.092 366 R HA -0.137 4.203 4.340 0.000 0.000 0.231 366 R C 1.868 178.141 176.300 -0.045 0.000 1.119 366 R CA 1.935 57.998 56.100 -0.062 0.000 0.970 366 R CB -0.093 30.171 30.300 -0.060 0.000 0.864 366 R HN 0.380 nan 8.270 nan 0.000 0.440 367 T N -1.996 112.544 114.554 -0.024 0.000 3.145 367 T HA 0.102 4.452 4.350 0.000 0.000 0.255 367 T C 1.416 176.211 174.700 0.158 0.000 1.039 367 T CA 0.236 62.346 62.100 0.016 0.000 0.928 367 T CB 0.277 69.090 68.868 -0.091 0.000 1.029 367 T HN 0.285 nan 8.240 nan 0.000 0.554 368 S N 2.188 118.005 115.700 0.194 0.000 2.382 368 S HA -0.000 4.470 4.470 0.000 0.000 0.228 368 S C -0.727 174.038 174.600 0.276 0.000 1.027 368 S CA 0.655 59.007 58.200 0.253 0.000 0.991 368 S CB -1.652 61.697 63.200 0.249 0.000 0.823 368 S HN 0.429 nan 8.310 nan 0.000 0.469 369 P HA -0.095 nan 4.420 nan 0.000 0.217 369 P C 1.662 179.060 177.300 0.164 0.000 1.150 369 P CA 1.192 64.398 63.100 0.178 0.000 0.832 369 P CB -0.190 31.580 31.700 0.117 0.000 0.787 370 Q N -1.742 118.180 119.800 0.205 0.000 2.435 370 Q HA -0.114 4.226 4.340 0.000 0.000 0.207 370 Q C 1.886 177.971 176.000 0.143 0.000 0.956 370 Q CA 0.908 56.797 55.803 0.143 0.000 0.917 370 Q CB -1.175 27.641 28.738 0.130 0.000 0.997 370 Q HN 0.483 nan 8.270 nan 0.000 0.497 371 W N 1.386 122.705 121.300 0.030 0.000 2.539 371 W HA 0.130 4.790 4.660 0.000 0.000 0.281 371 W C 1.298 177.831 176.519 0.023 0.000 1.220 371 W CA 0.349 57.711 57.345 0.028 0.000 1.332 371 W CB 0.230 29.722 29.460 0.053 0.000 1.095 371 W HN 0.072 nan 8.180 nan 0.000 0.571 372 L N 0.270 121.616 121.223 0.205 0.000 2.307 372 L HA 0.110 4.450 4.340 0.000 0.000 0.211 372 L C 2.712 179.588 176.870 0.010 0.000 1.099 372 L CA 0.837 55.737 54.840 0.101 0.000 0.816 372 L CB -1.294 40.854 42.059 0.149 0.000 0.952 372 L HN -0.064 nan 8.230 nan 0.000 0.455 373 G N 1.637 110.442 108.800 0.008 0.000 2.514 373 G HA2 -0.230 3.731 3.960 0.000 0.000 0.217 373 G HA3 -0.230 3.731 3.960 0.000 0.000 0.217 373 G C -0.702 174.161 174.900 -0.062 0.000 1.198 373 G CA 0.917 46.005 45.100 -0.019 0.000 0.780 373 G HN 0.293 nan 8.290 nan 0.000 0.565 374 P HA -0.047 nan 4.420 nan 0.000 0.215 374 P C 1.893 179.126 177.300 -0.111 0.000 1.153 374 P CA 0.638 63.654 63.100 -0.139 0.000 0.853 374 P CB -0.073 31.506 31.700 -0.202 0.000 0.788 375 L N -1.016 120.135 121.223 -0.121 0.000 1.989 375 L HA -0.167 4.174 4.340 0.000 0.000 0.211 375 L C 2.496 179.342 176.870 -0.041 0.000 1.071 375 L CA 1.833 56.620 54.840 -0.088 0.000 0.749 375 L CB -1.891 40.123 42.059 -0.075 0.000 0.890 375 L HN -0.140 nan 8.230 nan 0.000 0.431 376 V N -1.309 118.594 119.914 -0.019 0.000 2.332 376 V HA -0.317 3.803 4.120 0.000 0.000 0.248 376 V C 2.729 178.836 176.094 0.023 0.000 1.055 376 V CA 1.932 64.240 62.300 0.013 0.000 1.038 376 V CB -0.753 31.080 31.823 0.017 0.000 0.651 376 V HN 0.522 nan 8.190 nan 0.000 0.450 377 S N -0.550 115.154 115.700 0.007 0.000 2.382 377 S HA -0.230 4.240 4.470 0.000 0.000 0.228 377 S C 1.756 176.378 174.600 0.037 0.000 1.027 377 S CA 1.727 59.942 58.200 0.025 0.000 0.991 377 S CB -0.424 62.782 63.200 0.010 0.000 0.823 377 S HN 0.654 nan 8.310 nan 0.000 0.469 378 D N 1.046 121.443 120.400 -0.004 0.000 2.144 378 D HA -0.008 4.632 4.640 0.000 0.000 0.200 378 D C 1.927 178.254 176.300 0.044 0.000 0.978 378 D CA 0.725 54.719 54.000 -0.010 0.000 0.833 378 D CB -0.295 40.469 40.800 -0.060 0.000 0.961 378 D HN 0.387 nan 8.370 nan 0.000 0.470 379 L N 0.434 121.675 121.223 0.031 0.000 2.093 379 L HA -0.082 4.258 4.340 0.000 0.000 0.208 379 L C 2.443 179.406 176.870 0.155 0.000 1.085 379 L CA 0.652 55.511 54.840 0.031 0.000 0.755 379 L CB -0.178 41.869 42.059 -0.019 0.000 0.904 379 L HN 0.004 nan 8.230 nan 0.000 0.435 380 I N -1.291 119.369 120.570 0.150 0.000 2.439 380 I HA -0.275 3.895 4.170 0.000 0.000 0.251 380 I C 2.619 178.805 176.117 0.114 0.000 1.139 380 I CA 0.811 62.194 61.300 0.138 0.000 1.438 380 I CB -0.492 37.552 38.000 0.073 0.000 1.085 380 I HN 0.363 nan 8.210 nan 0.000 0.427 381 H N 1.644 120.709 119.070 -0.009 0.000 2.357 381 H HA -0.082 4.475 4.556 0.000 0.000 0.301 381 H C 2.186 177.437 175.328 -0.128 0.000 1.082 381 H CA 1.733 57.715 56.048 -0.110 0.000 1.342 381 H CB 0.297 30.000 29.762 -0.098 0.000 1.389 381 H HN 0.298 nan 8.280 nan 0.000 0.511 382 A N 0.901 123.787 122.820 0.109 0.000 1.902 382 A HA -0.201 4.119 4.320 0.000 0.000 0.217 382 A C 2.398 179.999 177.584 0.027 0.000 1.181 382 A CA 1.522 53.593 52.037 0.058 0.000 0.623 382 A CB -1.058 17.976 19.000 0.056 0.000 0.818 382 A HN 0.629 nan 8.150 nan 0.000 0.443 383 H N 0.017 119.096 119.070 0.015 0.000 2.387 383 H HA -0.086 4.470 4.556 0.000 0.000 0.299 383 H C 2.274 177.588 175.328 -0.024 0.000 1.090 383 H CA 1.628 57.708 56.048 0.053 0.000 1.332 383 H CB -0.092 29.752 29.762 0.136 0.000 1.386 383 H HN 0.432 nan 8.280 nan 0.000 0.516 384 A N 0.345 123.156 122.820 -0.015 0.000 1.898 384 A HA -0.092 4.228 4.320 0.000 0.000 0.216 384 A C 2.857 180.367 177.584 -0.125 0.000 1.181 384 A CA 1.497 53.483 52.037 -0.084 0.000 0.620 384 A CB -0.826 18.028 19.000 -0.243 0.000 0.819 384 A HN 0.280 nan 8.150 nan 0.000 0.442 385 V N 0.168 119.944 119.914 -0.229 0.000 2.261 385 V HA -0.241 3.879 4.120 0.000 0.000 0.246 385 V C 2.516 178.565 176.094 -0.075 0.000 1.047 385 V CA 1.904 64.125 62.300 -0.131 0.000 1.015 385 V CB -0.784 30.964 31.823 -0.125 0.000 0.642 385 V HN 0.559 nan 8.190 nan 0.000 0.446 386 L N 0.653 121.819 121.223 -0.095 0.000 2.201 386 L HA -0.140 4.200 4.340 0.000 0.000 0.212 386 L C 2.735 179.531 176.870 -0.122 0.000 1.105 386 L CA 1.860 56.643 54.840 -0.095 0.000 0.775 386 L CB -0.903 41.099 42.059 -0.094 0.000 0.913 386 L HN 0.635 nan 8.230 nan 0.000 0.440 387 T N -2.751 111.704 114.554 -0.165 0.000 2.857 387 T HA -0.080 4.270 4.350 0.000 0.000 0.266 387 T C 1.780 176.444 174.700 -0.060 0.000 1.048 387 T CA 0.670 62.688 62.100 -0.137 0.000 1.139 387 T CB -0.292 68.486 68.868 -0.150 0.000 0.874 387 T HN 0.198 nan 8.240 nan 0.000 0.455 388 I N 1.209 121.759 120.570 -0.035 0.000 2.315 388 I HA -0.055 4.115 4.170 0.000 0.000 0.248 388 I C 2.863 178.968 176.117 -0.020 0.000 1.117 388 I CA 1.569 62.865 61.300 -0.007 0.000 1.404 388 I CB -0.281 37.731 38.000 0.019 0.000 1.071 388 I HN 0.289 nan 8.210 nan 0.000 0.419 389 E N 1.260 121.443 120.200 -0.028 0.000 2.107 389 E HA -0.144 4.206 4.350 0.000 0.000 0.191 389 E C 2.024 178.603 176.600 -0.035 0.000 0.982 389 E CA 1.562 57.946 56.400 -0.027 0.000 0.809 389 E CB -0.018 29.668 29.700 -0.024 0.000 0.756 389 E HN 0.408 nan 8.360 nan 0.000 0.459 390 A N -0.676 122.117 122.820 -0.045 0.000 1.984 390 A HA 0.240 4.560 4.320 0.000 0.000 0.214 390 A C 2.170 179.721 177.584 -0.055 0.000 1.173 390 A CA 1.005 53.014 52.037 -0.046 0.000 0.673 390 A CB -0.258 18.713 19.000 -0.047 0.000 0.830 390 A HN 0.346 nan 8.150 nan 0.000 0.453 391 G N -1.414 107.353 108.800 -0.056 0.000 2.939 391 G HA2 0.279 4.239 3.960 0.000 0.000 0.216 391 G HA3 0.279 4.239 3.960 0.000 0.000 0.216 391 G C 0.883 175.730 174.900 -0.088 0.000 1.125 391 G CA 0.398 45.461 45.100 -0.062 0.000 0.766 391 G HN 0.531 nan 8.290 nan 0.000 0.541 392 Q N 0.039 119.795 119.800 -0.073 0.000 2.057 392 Q HA 0.307 4.647 4.340 0.000 0.000 0.216 392 Q C -0.572 175.387 176.000 -0.068 0.000 0.788 392 Q CA -0.104 55.650 55.803 -0.082 0.000 1.053 392 Q CB 1.567 30.328 28.738 0.038 0.000 1.210 392 Q HN 0.161 nan 8.270 nan 0.000 0.455 393 S N 0.727 116.386 115.700 -0.068 0.000 2.500 393 S HA 0.445 4.915 4.470 0.000 0.000 0.301 393 S C -0.602 173.980 174.600 -0.031 0.000 1.092 393 S CA -0.583 57.596 58.200 -0.035 0.000 1.030 393 S CB 2.055 65.240 63.200 -0.024 0.000 1.031 393 S HN 0.126 nan 8.310 nan 0.000 0.483 394 T N 1.446 116.004 114.554 0.006 0.000 2.853 394 T HA 0.343 4.693 4.350 0.000 0.000 0.317 394 T C 0.719 175.433 174.700 0.024 0.000 1.059 394 T CA -0.565 61.558 62.100 0.038 0.000 0.954 394 T CB -0.188 68.779 68.868 0.165 0.000 0.994 394 T HN 0.653 nan 8.240 nan 0.000 0.479 395 T N 1.449 116.020 114.554 0.027 0.000 3.330 395 T HA 0.292 4.642 4.350 0.000 0.000 0.249 395 T C -0.040 174.721 174.700 0.101 0.000 0.980 395 T CA -0.638 61.488 62.100 0.043 0.000 0.920 395 T CB -0.320 68.576 68.868 0.047 0.000 1.065 395 T HN 0.467 nan 8.240 nan 0.000 0.588 396 D N 1.775 122.233 120.400 0.096 0.000 2.529 396 D HA 0.604 5.244 4.640 0.000 0.000 0.273 396 D C -0.265 176.137 176.300 0.169 0.000 1.197 396 D CA -0.563 53.514 54.000 0.130 0.000 1.070 396 D CB 0.717 41.572 40.800 0.093 0.000 1.134 396 D HN 0.416 nan 8.370 nan 0.000 0.590 397 N N -0.917 117.892 118.700 0.182 0.000 2.666 397 N HA 0.317 5.057 4.740 0.000 0.000 0.260 397 N C -3.032 172.574 175.510 0.159 0.000 1.077 397 N CA -0.894 52.279 53.050 0.205 0.000 1.026 397 N CB 1.422 40.154 38.487 0.409 0.000 1.653 397 N HN -0.025 nan 8.380 nan 0.000 0.533 398 P HA 0.373 nan 4.420 nan 0.000 0.277 398 P C -0.910 176.403 177.300 0.021 0.000 1.276 398 P CA -0.395 62.724 63.100 0.031 0.000 0.788 398 P CB 0.703 32.324 31.700 -0.133 0.000 1.114 399 L N 0.587 121.797 121.223 -0.022 0.000 2.365 399 L HA 0.438 4.778 4.340 0.000 0.000 0.273 399 L C -0.372 176.491 176.870 -0.011 0.000 1.000 399 L CA -1.030 53.804 54.840 -0.011 0.000 0.819 399 L CB 1.307 43.322 42.059 -0.073 0.000 1.284 399 L HN 0.141 nan 8.230 nan 0.000 0.418 400 I N 1.848 122.423 120.570 0.008 0.000 2.395 400 I HA 0.082 4.252 4.170 0.000 0.000 0.289 400 I C 0.926 176.988 176.117 -0.091 0.000 1.023 400 I CA 0.150 61.416 61.300 -0.057 0.000 1.350 400 I CB 1.117 39.083 38.000 -0.056 0.000 1.409 400 I HN 0.691 nan 8.210 nan 0.000 0.507 401 D N 5.172 125.477 120.400 -0.158 0.000 2.305 401 D HA -0.067 4.573 4.640 0.000 0.000 0.206 401 D C 1.836 178.026 176.300 -0.184 0.000 0.974 401 D CA 1.176 55.115 54.000 -0.103 0.000 0.871 401 D CB 0.754 41.551 40.800 -0.004 0.000 0.947 401 D HN 0.529 nan 8.370 nan 0.000 0.516 402 V N -0.239 119.413 119.914 -0.437 0.000 0.612 402 V HA -0.462 3.658 4.120 0.000 0.000 0.092 402 V C 1.800 177.772 176.094 -0.205 0.000 1.656 402 V CA 2.674 64.717 62.300 -0.429 0.000 3.336 402 V CB -1.495 30.196 31.823 -0.220 0.000 0.614 402 V HN 0.176 nan 8.190 nan 0.000 0.629 403 E N 1.654 121.793 120.200 -0.102 0.000 2.097 403 E HA -0.207 4.143 4.350 0.000 0.000 0.196 403 E C 1.643 178.221 176.600 -0.037 0.000 1.000 403 E CA 2.206 58.578 56.400 -0.047 0.000 0.804 403 E CB -0.612 29.074 29.700 -0.023 0.000 0.740 403 E HN 0.965 nan 8.360 nan 0.000 0.454 404 N N 0.428 119.099 118.700 -0.049 0.000 2.251 404 N HA 0.024 4.764 4.740 0.000 0.000 0.217 404 N C -0.443 175.058 175.510 -0.015 0.000 1.124 404 N CA -0.063 52.977 53.050 -0.017 0.000 0.843 404 N CB 0.420 38.912 38.487 0.009 0.000 1.024 404 N HN -0.078 nan 8.380 nan 0.000 0.501 405 K N -0.021 120.345 120.400 -0.057 0.000 3.003 405 K HA -0.201 4.119 4.320 0.000 0.000 0.257 405 K C -0.101 176.598 176.600 0.165 0.000 0.958 405 K CA 0.851 57.191 56.287 0.089 0.000 0.707 405 K CB -2.028 30.610 32.500 0.229 0.000 1.279 405 K HN 0.389 nan 8.250 nan 0.000 0.479 406 T N -1.897 112.632 114.554 -0.042 0.000 2.901 406 T HA 0.519 4.869 4.350 0.000 0.000 0.293 406 T C -1.099 173.552 174.700 -0.081 0.000 1.084 406 T CA -0.283 61.813 62.100 -0.006 0.000 1.008 406 T CB 2.151 70.950 68.868 -0.114 0.000 1.170 406 T HN 0.118 nan 8.240 nan 0.000 0.509 407 S N 0.854 116.490 115.700 -0.107 0.000 2.500 407 S HA 0.622 5.092 4.470 0.000 0.000 0.301 407 S C -1.578 172.778 174.600 -0.406 0.000 1.092 407 S CA -0.544 57.570 58.200 -0.144 0.000 1.030 407 S CB 0.402 63.595 63.200 -0.012 0.000 1.031 407 S HN 0.783 nan 8.310 nan 0.000 0.483 408 H N 2.397 121.319 119.070 -0.246 0.000 2.492 408 H HA 0.452 5.008 4.556 0.000 0.000 0.345 408 H C -0.579 174.532 175.328 -0.362 0.000 1.136 408 H CA -0.639 55.268 56.048 -0.236 0.000 1.202 408 H CB 0.936 30.623 29.762 -0.124 0.000 1.524 408 H HN 0.552 nan 8.280 nan 0.000 0.506 409 H N 2.552 121.710 119.070 0.147 0.000 2.673 409 H HA 0.367 4.923 4.556 0.000 0.000 0.293 409 H C 0.236 175.625 175.328 0.102 0.000 1.065 409 H CA -0.344 55.774 56.048 0.117 0.000 1.236 409 H CB 1.061 30.877 29.762 0.090 0.000 1.389 409 H HN 0.886 nan 8.280 nan 0.000 0.481 410 G N 0.691 109.584 108.800 0.154 0.000 3.257 410 G HA2 0.460 4.420 3.960 0.000 0.000 0.205 410 G HA3 0.460 4.420 3.960 0.000 0.000 0.205 410 G C 0.048 174.918 174.900 -0.051 0.000 1.234 410 G CA -0.485 44.642 45.100 0.044 0.000 0.918 410 G HN 0.493 nan 8.290 nan 0.000 0.602 411 G N -0.171 108.444 108.800 -0.309 0.000 4.803 411 G HA2 0.208 4.168 3.960 0.000 0.000 0.266 411 G HA3 0.208 4.168 3.960 0.000 0.000 0.266 411 G C 0.268 174.551 174.900 -1.029 0.000 1.111 411 G CA -0.242 44.277 45.100 -0.968 0.000 0.874 411 G HN 0.289 nan 8.290 nan 0.000 0.555 412 N N 1.000 119.370 118.700 -0.550 0.000 2.626 412 N HA -0.041 4.699 4.740 0.000 0.000 0.193 412 N C 1.339 176.716 175.510 -0.222 0.000 1.213 412 N CA 0.370 53.237 53.050 -0.306 0.000 0.914 412 N CB -0.164 38.240 38.487 -0.138 0.000 0.994 412 N HN 0.649 nan 8.380 nan 0.000 0.447 413 F N -0.281 119.677 119.950 0.014 0.000 2.776 413 F HA 0.277 4.804 4.527 0.000 0.000 0.300 413 F C 0.965 176.773 175.800 0.015 0.000 1.116 413 F CA -0.711 57.298 58.000 0.015 0.000 1.375 413 F CB -0.630 38.384 39.000 0.022 0.000 1.109 413 F HN -0.219 nan 8.300 nan 0.000 0.585 414 Q N 2.416 122.154 119.800 -0.103 0.000 2.534 414 Q HA 0.436 4.776 4.340 0.000 0.000 0.223 414 Q C 0.551 176.558 176.000 0.012 0.000 1.239 414 Q CA -0.090 55.729 55.803 0.025 0.000 0.936 414 Q CB 0.436 29.109 28.738 -0.108 0.000 1.457 414 Q HN 0.371 nan 8.270 nan 0.000 0.547 415 A N 3.406 126.261 122.820 0.060 0.000 2.358 415 A HA 0.245 4.565 4.320 0.000 0.000 0.232 415 A C 1.522 179.121 177.584 0.024 0.000 1.498 415 A CA 0.681 52.739 52.037 0.035 0.000 1.400 415 A CB -0.793 18.233 19.000 0.045 0.000 0.852 415 A HN 0.829 nan 8.150 nan 0.000 0.605 416 A N 0.017 122.846 122.820 0.016 0.000 1.972 416 A HA 0.114 4.434 4.320 0.000 0.000 0.219 416 A C 2.374 179.967 177.584 0.015 0.000 1.169 416 A CA 1.773 53.819 52.037 0.015 0.000 0.635 416 A CB -0.528 18.477 19.000 0.008 0.000 0.810 416 A HN 1.123 nan 8.150 nan 0.000 0.446 417 A N -0.639 122.189 122.820 0.012 0.000 1.930 417 A HA 0.057 4.377 4.320 0.000 0.000 0.217 417 A C 2.204 179.798 177.584 0.016 0.000 1.175 417 A CA 1.629 53.678 52.037 0.019 0.000 0.627 417 A CB -0.766 18.244 19.000 0.016 0.000 0.815 417 A HN 0.348 nan 8.150 nan 0.000 0.443 418 V N -0.115 119.805 119.914 0.011 0.000 2.307 418 V HA -0.219 3.901 4.120 0.000 0.000 0.245 418 V C 3.066 179.165 176.094 0.010 0.000 1.045 418 V CA 1.861 64.165 62.300 0.007 0.000 1.024 418 V CB -1.227 30.600 31.823 0.007 0.000 0.651 418 V HN 0.602 nan 8.190 nan 0.000 0.449 419 A N 0.500 123.328 122.820 0.013 0.000 1.883 419 A HA -0.323 3.997 4.320 0.000 0.000 0.217 419 A C 2.063 179.652 177.584 0.009 0.000 1.186 419 A CA 2.464 54.508 52.037 0.012 0.000 0.624 419 A CB -0.991 18.019 19.000 0.017 0.000 0.822 419 A HN 0.625 nan 8.150 nan 0.000 0.444 420 N N -0.211 118.496 118.700 0.012 0.000 2.137 420 N HA -0.113 4.627 4.740 0.000 0.000 0.190 420 N C 1.199 176.714 175.510 0.008 0.000 1.017 420 N CA 1.838 54.894 53.050 0.009 0.000 0.859 420 N CB -0.525 37.974 38.487 0.020 0.000 1.002 420 N HN 0.654 nan 8.380 nan 0.000 0.428 424 K N 1.166 121.548 120.400 -0.029 0.000 2.057 424 K HA 0.002 4.322 4.320 0.000 0.000 0.206 424 K C 2.030 178.605 176.600 -0.041 0.000 1.050 424 K CA 2.002 58.264 56.287 -0.043 0.000 0.935 424 K CB -0.114 32.355 32.500 -0.051 0.000 0.715 424 K HN 0.014 nan 8.250 nan 0.000 0.439 425 T N 0.652 115.186 114.554 -0.034 0.000 2.720 425 T HA -0.171 4.179 4.350 0.000 0.000 0.268 425 T C 1.824 176.507 174.700 -0.029 0.000 1.037 425 T CA 1.293 63.370 62.100 -0.039 0.000 1.144 425 T CB -0.160 68.683 68.868 -0.043 0.000 0.864 425 T HN 0.224 nan 8.240 nan 0.000 0.444 426 R N 0.294 120.781 120.500 -0.021 0.000 2.120 426 R HA 0.063 4.403 4.340 0.000 0.000 0.234 426 R C 2.382 178.676 176.300 -0.010 0.000 1.123 426 R CA 0.802 56.896 56.100 -0.011 0.000 0.975 426 R CB -0.335 29.959 30.300 -0.010 0.000 0.866 426 R HN 0.351 nan 8.270 nan 0.000 0.446 427 L N -0.588 120.622 121.223 -0.022 0.000 2.044 427 L HA -0.023 4.317 4.340 0.000 0.000 0.205 427 L C 2.151 179.005 176.870 -0.026 0.000 1.075 427 L CA 1.750 56.575 54.840 -0.026 0.000 0.747 427 L CB -0.789 41.244 42.059 -0.044 0.000 0.903 427 L HN 0.415 nan 8.230 nan 0.000 0.435 428 G N 0.054 108.832 108.800 -0.037 0.000 2.442 428 G HA2 -0.260 3.700 3.960 0.000 0.000 0.219 428 G HA3 -0.260 3.700 3.960 0.000 0.000 0.219 428 G C 1.591 176.493 174.900 0.003 0.000 1.141 428 G CA 0.668 45.745 45.100 -0.038 0.000 0.763 428 G HN 0.337 nan 8.290 nan 0.000 0.554 429 L N 0.442 121.672 121.223 0.010 0.000 2.083 429 L HA -0.060 4.280 4.340 0.000 0.000 0.209 429 L C 3.397 180.307 176.870 0.067 0.000 1.083 429 L CA 0.996 55.857 54.840 0.035 0.000 0.752 429 L CB -0.409 41.663 42.059 0.023 0.000 0.899 429 L HN 0.330 nan 8.230 nan 0.000 0.433 430 A N -0.819 122.037 122.820 0.059 0.000 1.930 430 A HA -0.196 4.124 4.320 0.000 0.000 0.217 430 A C 2.237 179.905 177.584 0.141 0.000 1.175 430 A CA 1.107 53.195 52.037 0.084 0.000 0.627 430 A CB -0.309 18.727 19.000 0.061 0.000 0.815 430 A HN 0.359 nan 8.150 nan 0.000 0.443 431 Q N -0.140 119.737 119.800 0.128 0.000 2.084 431 Q HA -0.117 4.224 4.340 0.000 0.000 0.202 431 Q C 2.128 178.362 176.000 0.390 0.000 0.978 431 Q CA 1.419 57.356 55.803 0.224 0.000 0.844 431 Q CB -0.473 28.247 28.738 -0.029 0.000 0.898 431 Q HN 0.782 nan 8.270 nan 0.000 0.426 432 I N 0.091 120.806 120.570 0.242 0.000 2.142 432 I HA -0.215 3.955 4.170 0.000 0.000 0.240 432 I C 2.360 178.625 176.117 0.246 0.000 1.078 432 I CA 1.211 62.661 61.300 0.250 0.000 1.343 432 I CB -0.813 37.279 38.000 0.154 0.000 1.046 432 I HN 0.231 nan 8.210 nan 0.000 0.405 433 G N 1.062 109.982 108.800 0.200 0.000 2.529 433 G HA2 -0.392 3.568 3.960 0.000 0.000 0.219 433 G HA3 -0.392 3.568 3.960 0.000 0.000 0.219 433 G C 1.635 176.671 174.900 0.227 0.000 1.177 433 G CA 1.488 46.703 45.100 0.193 0.000 0.773 433 G HN 0.210 nan 8.290 nan 0.000 0.573 434 K N 0.156 120.699 120.400 0.239 0.000 2.044 434 K HA -0.087 4.233 4.320 0.000 0.000 0.210 434 K C 2.370 179.073 176.600 0.172 0.000 1.049 434 K CA 1.437 57.870 56.287 0.243 0.000 0.927 434 K CB -0.792 31.881 32.500 0.288 0.000 0.713 434 K HN 0.272 nan 8.250 nan 0.000 0.443 435 L N 1.148 122.450 121.223 0.133 0.000 1.989 435 L HA -0.198 4.142 4.340 0.000 0.000 0.211 435 L C 1.436 178.325 176.870 0.032 0.000 1.071 435 L CA 2.214 57.019 54.840 -0.059 0.000 0.749 435 L CB -0.940 41.127 42.059 0.014 0.000 0.890 435 L HN 0.346 nan 8.230 nan 0.000 0.431 436 N N -1.518 117.269 118.700 0.145 0.000 2.223 436 N HA -0.213 4.527 4.740 0.000 0.000 0.185 436 N C 1.656 177.175 175.510 0.016 0.000 1.016 436 N CA 1.444 54.594 53.050 0.166 0.000 0.863 436 N CB -0.378 38.306 38.487 0.329 0.000 0.983 436 N HN 0.435 nan 8.380 nan 0.000 0.429 437 F N 1.940 121.869 119.950 -0.034 0.000 2.075 437 F HA -0.205 4.322 4.527 0.000 0.000 0.297 437 F C 2.513 178.242 175.800 -0.118 0.000 1.113 437 F CA 1.776 59.732 58.000 -0.075 0.000 1.218 437 F CB -1.111 37.877 39.000 -0.021 0.000 0.984 437 F HN 0.053 nan 8.300 nan 0.000 0.472 438 T N -1.500 112.867 114.554 -0.312 0.000 2.788 438 T HA -0.249 4.101 4.350 0.000 0.000 0.268 438 T C 1.785 176.276 174.700 -0.349 0.000 1.044 438 T CA 1.667 63.513 62.100 -0.425 0.000 1.139 438 T CB -0.800 67.937 68.868 -0.217 0.000 0.867 438 T HN 0.541 nan 8.240 nan 0.000 0.454 439 Q N 0.232 119.884 119.800 -0.247 0.000 2.119 439 Q HA 0.059 4.399 4.340 0.000 0.000 0.201 439 Q C 2.291 178.109 176.000 -0.303 0.000 0.972 439 Q CA 1.197 56.888 55.803 -0.187 0.000 0.847 439 Q CB -0.300 28.417 28.738 -0.034 0.000 0.903 439 Q HN 0.442 nan 8.270 nan 0.000 0.433 440 L N 0.437 121.367 121.223 -0.489 0.000 2.068 440 L HA -0.109 4.231 4.340 0.000 0.000 0.204 440 L C 2.236 178.886 176.870 -0.367 0.000 1.076 440 L CA 2.086 56.634 54.840 -0.486 0.000 0.753 440 L CB -0.796 40.950 42.059 -0.522 0.000 0.910 440 L HN 0.200 nan 8.230 nan 0.000 0.439 441 T N -2.051 112.193 114.554 -0.518 0.000 2.788 441 T HA -0.193 4.158 4.350 0.000 0.000 0.268 441 T C 1.107 175.637 174.700 -0.284 0.000 1.044 441 T CA 0.895 62.731 62.100 -0.440 0.000 1.139 441 T CB -0.545 67.930 68.868 -0.654 0.000 0.867 441 T HN 0.550 nan 8.240 nan 0.000 0.454 445 N N 1.860 120.509 118.700 -0.084 0.000 2.500 445 N HA 0.344 5.085 4.740 0.000 0.000 0.236 445 N C 0.983 176.459 175.510 -0.057 0.000 1.022 445 N CA 0.730 53.740 53.050 -0.068 0.000 0.935 445 N CB 1.999 40.435 38.487 -0.084 0.000 1.147 445 N HN 0.231 nan 8.380 nan 0.000 0.512 446 A N 3.236 126.031 122.820 -0.040 0.000 1.997 446 A HA -0.049 4.271 4.320 0.000 0.000 0.221 446 A C 1.230 178.790 177.584 -0.040 0.000 1.172 446 A CA 1.553 53.567 52.037 -0.038 0.000 0.645 446 A CB -0.778 18.209 19.000 -0.021 0.000 0.813 446 A HN 0.631 nan 8.150 nan 0.000 0.454 450 R N 0.792 121.259 120.500 -0.056 0.000 3.423 450 R HA -0.066 4.274 4.340 0.000 0.000 0.271 450 R C 0.937 177.212 176.300 -0.042 0.000 1.093 450 R CA 1.482 57.555 56.100 -0.045 0.000 0.730 450 R CB -1.821 28.453 30.300 -0.043 0.000 1.190 450 R HN 1.208 nan 8.270 nan 0.000 0.437 451 G N -1.352 107.415 108.800 -0.055 0.000 2.175 451 G HA2 -0.313 3.647 3.960 0.000 0.000 0.244 451 G HA3 -0.313 3.647 3.960 0.000 0.000 0.244 451 G C 0.246 175.102 174.900 -0.073 0.000 0.982 451 G CA 0.094 45.156 45.100 -0.063 0.000 0.641 451 G HN 0.307 nan 8.290 nan 0.000 0.527 452 L N 1.348 122.526 121.223 -0.075 0.000 2.464 452 L HA 0.376 4.716 4.340 0.000 0.000 0.264 452 L C -1.441 175.383 176.870 -0.078 0.000 1.199 452 L CA -1.839 52.950 54.840 -0.085 0.000 0.818 452 L CB 0.355 42.358 42.059 -0.095 0.000 1.102 452 L HN -0.073 nan 8.230 nan 0.000 0.473 453 P HA -0.042 nan 4.420 nan 0.000 0.269 453 P C 0.487 177.761 177.300 -0.043 0.000 1.217 453 P CA 0.090 63.153 63.100 -0.062 0.000 0.783 453 P CB 0.680 32.346 31.700 -0.056 0.000 0.898 454 S N 1.118 116.798 115.700 -0.033 0.000 2.390 454 S HA -0.248 4.222 4.470 0.000 0.000 0.234 454 S C 0.914 175.515 174.600 0.003 0.000 1.063 454 S CA 1.944 60.136 58.200 -0.013 0.000 1.108 454 S CB -0.603 62.592 63.200 -0.008 0.000 0.975 454 S HN 0.603 nan 8.310 nan 0.000 0.442 455 C N 0.984 120.293 119.300 0.016 0.000 3.144 455 C HA 0.549 5.009 4.460 0.000 0.000 0.253 455 C C 0.206 175.218 174.990 0.037 0.000 2.010 455 C CA -0.788 58.253 59.018 0.038 0.000 1.698 455 C CB -1.135 26.666 27.740 0.100 0.000 3.346 455 C HN 0.700 nan 8.230 nan 0.000 0.449 456 L N 0.009 121.241 121.223 0.014 0.000 3.717 456 L HA -0.230 4.110 4.340 0.000 0.000 0.411 456 L C 0.694 177.651 176.870 0.144 0.000 1.233 456 L CA 0.590 55.447 54.840 0.029 0.000 0.917 456 L CB -1.611 40.434 42.059 -0.024 0.000 1.902 456 L HN 0.620 nan 8.230 nan 0.000 0.894 457 A N -0.294 122.577 122.820 0.086 0.000 2.302 457 A HA 0.712 5.032 4.320 0.000 0.000 0.295 457 A C 1.333 178.925 177.584 0.015 0.000 1.235 457 A CA 0.401 52.478 52.037 0.068 0.000 0.876 457 A CB 1.259 20.247 19.000 -0.021 0.000 1.133 457 A HN 0.547 nan 8.150 nan 0.000 0.533 458 A N 2.306 125.148 122.820 0.036 0.000 1.940 458 A HA -0.027 4.293 4.320 0.000 0.000 0.219 458 A C 1.372 178.915 177.584 -0.067 0.000 1.176 458 A CA 1.503 53.571 52.037 0.052 0.000 0.631 458 A CB -0.208 18.929 19.000 0.227 0.000 0.814 458 A HN 0.767 nan 8.150 nan 0.000 0.446 459 E N -0.055 120.047 120.200 -0.164 0.000 3.078 459 E HA 0.229 4.579 4.350 0.000 0.000 0.233 459 E C -0.928 175.594 176.600 -0.131 0.000 0.746 459 E CA -0.842 55.421 56.400 -0.229 0.000 1.490 459 E CB -0.514 28.930 29.700 -0.427 0.000 1.807 459 E HN 0.167 nan 8.360 nan 0.000 0.463 460 D N 2.179 122.519 120.400 -0.099 0.000 2.434 460 D HA 0.047 4.687 4.640 0.000 0.000 0.252 460 D C -1.665 174.566 176.300 -0.116 0.000 1.185 460 D CA -1.167 52.791 54.000 -0.071 0.000 0.886 460 D CB 0.562 41.345 40.800 -0.028 0.000 1.148 460 D HN 0.009 nan 8.370 nan 0.000 0.483 461 P HA -0.116 nan 4.420 nan 0.000 0.223 461 P C 1.431 178.551 177.300 -0.301 0.000 1.144 461 P CA 0.688 63.671 63.100 -0.195 0.000 0.783 461 P CB 0.357 31.991 31.700 -0.111 0.000 0.771 462 S N -1.125 114.465 115.700 -0.183 0.000 2.383 462 S HA -0.077 4.393 4.470 0.000 0.000 0.229 462 S C 1.213 175.697 174.600 -0.193 0.000 1.030 462 S CA 1.090 59.205 58.200 -0.142 0.000 1.002 462 S CB -0.522 62.640 63.200 -0.063 0.000 0.829 462 S HN 0.093 nan 8.310 nan 0.000 0.467 463 L N 0.319 121.412 121.223 -0.217 0.000 3.202 463 L HA 0.411 4.751 4.340 0.000 0.000 0.278 463 L C -0.187 176.543 176.870 -0.232 0.000 1.268 463 L CA -0.219 54.525 54.840 -0.160 0.000 1.034 463 L CB 1.064 43.104 42.059 -0.030 0.000 1.407 463 L HN 0.069 nan 8.230 nan 0.000 0.581 464 S N -0.509 114.892 115.700 -0.498 0.000 2.706 464 S HA 0.422 4.892 4.470 0.000 0.000 0.270 464 S C -0.857 173.472 174.600 -0.452 0.000 1.163 464 S CA -0.325 57.682 58.200 -0.321 0.000 1.042 464 S CB 0.542 63.650 63.200 -0.153 0.000 1.079 464 S HN 0.242 nan 8.310 nan 0.000 0.474 465 Y N 4.335 124.675 120.300 0.067 0.000 2.774 465 Y HA 0.299 4.849 4.550 0.000 0.000 0.305 465 Y C 1.586 177.566 175.900 0.133 0.000 1.067 465 Y CA -0.644 57.501 58.100 0.074 0.000 1.304 465 Y CB -0.547 37.938 38.460 0.042 0.000 1.209 465 Y HN 0.866 nan 8.280 nan 0.000 0.543 466 H N 0.703 119.841 119.070 0.113 0.000 1.689 466 H HA -0.343 4.213 4.556 0.000 0.000 0.129 466 H C 1.283 176.693 175.328 0.138 0.000 1.102 466 H CA 2.223 58.342 56.048 0.119 0.000 1.817 466 H CB -0.666 29.153 29.762 0.096 0.000 2.178 466 H HN 0.427 nan 8.280 nan 0.000 0.942 467 C N 1.515 120.825 119.300 0.016 0.000 2.578 467 C HA 0.147 4.607 4.460 0.000 0.000 0.285 467 C C 2.546 177.551 174.990 0.024 0.000 1.297 467 C CA 0.166 59.149 59.018 -0.058 0.000 1.690 467 C CB -1.205 26.445 27.740 -0.151 0.000 1.773 467 C HN 0.570 nan 8.230 nan 0.000 0.594 468 K N 1.850 122.299 120.400 0.081 0.000 2.063 468 K HA -0.130 4.190 4.320 0.000 0.000 0.208 468 K C 2.134 178.750 176.600 0.026 0.000 1.048 468 K CA 1.872 58.197 56.287 0.063 0.000 0.928 468 K CB -0.369 32.194 32.500 0.105 0.000 0.713 468 K HN 0.529 nan 8.250 nan 0.000 0.442 469 G N 0.775 109.593 108.800 0.031 0.000 2.422 469 G HA2 -0.182 3.778 3.960 0.000 0.000 0.218 469 G HA3 -0.182 3.778 3.960 0.000 0.000 0.218 469 G C 1.419 176.307 174.900 -0.021 0.000 1.140 469 G CA 0.492 45.592 45.100 -0.001 0.000 0.775 469 G HN 0.209 nan 8.290 nan 0.000 0.545 470 L N 0.272 121.492 121.223 -0.006 0.000 2.141 470 L HA -0.018 4.322 4.340 0.000 0.000 0.209 470 L C 2.486 179.354 176.870 -0.004 0.000 1.094 470 L CA 1.051 55.886 54.840 -0.008 0.000 0.763 470 L CB -0.260 41.810 42.059 0.019 0.000 0.908 470 L HN 0.156 nan 8.230 nan 0.000 0.437 471 D N 0.787 121.189 120.400 0.004 0.000 2.104 471 D HA -0.198 4.442 4.640 0.000 0.000 0.194 471 D C 2.120 178.449 176.300 0.049 0.000 0.994 471 D CA 1.501 55.516 54.000 0.026 0.000 0.830 471 D CB 0.026 40.828 40.800 0.003 0.000 0.959 471 D HN 0.248 nan 8.370 nan 0.000 0.452 472 I N 0.362 120.925 120.570 -0.012 0.000 2.252 472 I HA -0.200 3.970 4.170 0.000 0.000 0.245 472 I C 2.492 178.513 176.117 -0.160 0.000 1.102 472 I CA 1.051 62.318 61.300 -0.054 0.000 1.385 472 I CB -0.288 37.673 38.000 -0.065 0.000 1.064 472 I HN 0.019 nan 8.210 nan 0.000 0.414 473 A N 0.705 123.393 122.820 -0.220 0.000 1.933 473 A HA -0.161 4.159 4.320 0.000 0.000 0.218 473 A C 2.534 179.646 177.584 -0.786 0.000 1.175 473 A CA 1.791 53.523 52.037 -0.507 0.000 0.628 473 A CB -0.801 17.965 19.000 -0.390 0.000 0.814 473 A HN 0.430 nan 8.150 nan 0.000 0.444 474 A N -0.077 122.567 122.820 -0.293 0.000 1.902 474 A HA 0.145 4.465 4.320 0.000 0.000 0.217 474 A C 2.504 179.947 177.584 -0.235 0.000 1.181 474 A CA 2.091 54.094 52.037 -0.056 0.000 0.623 474 A CB -0.993 18.175 19.000 0.281 0.000 0.818 474 A HN 1.038 nan 8.150 nan 0.000 0.443 475 A N -0.087 122.562 122.820 -0.284 0.000 1.877 475 A HA 0.151 4.471 4.320 0.000 0.000 0.216 475 A C 2.531 179.860 177.584 -0.426 0.000 1.186 475 A CA 2.161 53.844 52.037 -0.589 0.000 0.620 475 A CB -1.106 17.733 19.000 -0.268 0.000 0.822 475 A HN 1.099 nan 8.150 nan 0.000 0.443 476 A N -1.061 121.541 122.820 -0.363 0.000 1.908 476 A HA -0.146 4.174 4.320 0.000 0.000 0.218 476 A C 2.120 179.607 177.584 -0.163 0.000 1.181 476 A CA 1.584 53.453 52.037 -0.279 0.000 0.627 476 A CB -0.936 17.876 19.000 -0.314 0.000 0.818 476 A HN 0.697 nan 8.150 nan 0.000 0.445 477 Y N 0.156 120.394 120.300 -0.104 0.000 2.145 477 Y HA -0.193 4.357 4.550 0.000 0.000 0.286 477 Y C 3.031 178.879 175.900 -0.086 0.000 1.145 477 Y CA 1.165 59.223 58.100 -0.070 0.000 1.148 477 Y CB -0.731 37.711 38.460 -0.031 0.000 0.981 477 Y HN 0.283 nan 8.280 nan 0.000 0.507 478 T N -0.756 113.780 114.554 -0.030 0.000 2.788 478 T HA -0.191 4.159 4.350 0.000 0.000 0.268 478 T C 2.053 176.700 174.700 -0.089 0.000 1.044 478 T CA 1.484 63.524 62.100 -0.100 0.000 1.139 478 T CB -0.404 68.259 68.868 -0.341 0.000 0.867 478 T HN 0.247 nan 8.240 nan 0.000 0.454 479 S N 0.826 116.445 115.700 -0.135 0.000 2.359 479 S HA -0.139 4.331 4.470 0.000 0.000 0.224 479 S C 2.092 176.691 174.600 -0.001 0.000 1.035 479 S CA 1.203 59.356 58.200 -0.077 0.000 1.018 479 S CB -0.294 62.846 63.200 -0.099 0.000 0.876 479 S HN 0.579 nan 8.310 nan 0.000 0.448 480 E N 0.647 120.857 120.200 0.016 0.000 2.077 480 E HA -0.112 4.238 4.350 0.000 0.000 0.193 480 E C 2.001 178.651 176.600 0.084 0.000 0.989 480 E CA 0.791 57.224 56.400 0.056 0.000 0.800 480 E CB -0.133 29.606 29.700 0.065 0.000 0.746 480 E HN 0.407 nan 8.360 nan 0.000 0.452 481 L N -0.137 121.128 121.223 0.070 0.000 2.042 481 L HA -0.149 4.191 4.340 0.000 0.000 0.210 481 L C 2.560 179.468 176.870 0.063 0.000 1.076 481 L CA 1.217 56.097 54.840 0.066 0.000 0.749 481 L CB -0.712 41.388 42.059 0.068 0.000 0.893 481 L HN 0.296 nan 8.230 nan 0.000 0.432 482 G N -1.198 107.639 108.800 0.061 0.000 2.459 482 G HA2 -0.345 3.615 3.960 0.000 0.000 0.217 482 G HA3 -0.345 3.615 3.960 0.000 0.000 0.217 482 G C 1.533 176.471 174.900 0.063 0.000 1.183 482 G CA 0.949 46.083 45.100 0.058 0.000 0.776 482 G HN 0.441 nan 8.290 nan 0.000 0.552 483 H N 0.610 119.683 119.070 0.005 0.000 2.387 483 H HA 0.077 4.633 4.556 0.000 0.000 0.299 483 H C 2.567 177.900 175.328 0.007 0.000 1.090 483 H CA 1.155 57.206 56.048 0.004 0.000 1.332 483 H CB -0.102 29.658 29.762 -0.003 0.000 1.386 483 H HN 0.302 nan 8.280 nan 0.000 0.516 484 L N 0.400 121.659 121.223 0.059 0.000 2.275 484 L HA -0.070 4.270 4.340 0.000 0.000 0.215 484 L C 2.850 179.693 176.870 -0.044 0.000 1.119 484 L CA 0.749 55.594 54.840 0.008 0.000 0.790 484 L CB -0.306 41.785 42.059 0.052 0.000 0.919 484 L HN 0.263 nan 8.230 nan 0.000 0.443 485 A N -0.728 122.070 122.820 -0.037 0.000 2.168 485 A HA -0.053 4.267 4.320 0.000 0.000 0.215 485 A C 0.947 178.501 177.584 -0.049 0.000 1.152 485 A CA 0.340 52.359 52.037 -0.031 0.000 0.716 485 A CB -0.530 18.465 19.000 -0.008 0.000 0.794 485 A HN 0.369 nan 8.150 nan 0.000 0.465 486 N N 1.265 119.910 118.700 -0.091 0.000 2.416 486 N HA 0.174 4.915 4.740 0.000 0.000 0.246 486 N C -2.592 172.900 175.510 -0.029 0.000 1.260 486 N CA -0.841 52.167 53.050 -0.069 0.000 0.897 486 N CB 0.024 38.445 38.487 -0.110 0.000 1.110 486 N HN 0.259 nan 8.380 nan 0.000 0.439 487 P HA 0.080 nan 4.420 nan 0.000 0.275 487 P C 0.405 177.757 177.300 0.088 0.000 1.228 487 P CA -0.240 62.870 63.100 0.016 0.000 0.786 487 P CB 1.152 32.845 31.700 -0.011 0.000 0.927 488 V N 2.199 122.162 119.914 0.082 0.000 2.672 488 V HA -0.106 4.014 4.120 0.000 0.000 0.242 488 V C 2.662 178.841 176.094 0.143 0.000 1.059 488 V CA 2.278 64.662 62.300 0.140 0.000 1.081 488 V CB -1.513 30.346 31.823 0.060 0.000 0.752 488 V HN 0.693 nan 8.190 nan 0.000 0.472 489 T N -0.726 113.861 114.554 0.055 0.000 2.918 489 T HA -0.211 4.139 4.350 0.000 0.000 0.271 489 T C 1.572 176.258 174.700 -0.024 0.000 1.104 489 T CA 1.877 63.991 62.100 0.022 0.000 1.114 489 T CB -0.810 68.061 68.868 0.006 0.000 0.855 489 T HN 0.614 nan 8.240 nan 0.000 0.518 490 T N -1.469 113.024 114.554 -0.101 0.000 3.113 490 T HA 0.019 4.369 4.350 0.000 0.000 0.256 490 T C 1.028 175.513 174.700 -0.359 0.000 1.131 490 T CA 0.207 62.166 62.100 -0.235 0.000 1.074 490 T CB -0.432 68.239 68.868 -0.329 0.000 0.944 490 T HN 0.570 nan 8.240 nan 0.000 0.516 491 H N 1.077 120.145 119.070 -0.003 0.000 2.550 491 H HA 0.401 4.957 4.556 0.000 0.000 0.304 491 H C 0.009 175.340 175.328 0.004 0.000 1.086 491 H CA -0.464 55.584 56.048 -0.000 0.000 1.089 491 H CB -0.107 29.654 29.762 -0.002 0.000 1.528 491 H HN 0.250 nan 8.280 nan 0.000 0.539 492 V N 2.702 122.649 119.914 0.055 0.000 2.585 492 V HA -0.040 4.080 4.120 0.000 0.000 0.296 492 V C 0.579 176.699 176.094 0.045 0.000 1.035 492 V CA 0.091 62.419 62.300 0.047 0.000 1.084 492 V CB 1.084 32.923 31.823 0.026 0.000 0.953 492 V HN 0.342 nan 8.190 nan 0.000 0.483 493 Q N 6.023 125.850 119.800 0.046 0.000 2.248 493 Q HA 0.424 4.764 4.340 0.000 0.000 0.263 493 Q C -2.395 173.624 176.000 0.031 0.000 1.007 493 Q CA -2.320 53.506 55.803 0.038 0.000 0.877 493 Q CB 1.510 30.271 28.738 0.038 0.000 1.315 493 Q HN 0.469 nan 8.270 nan 0.000 0.454 494 P HA 0.207 nan 4.420 nan 0.000 0.268 494 P C -0.935 176.379 177.300 0.022 0.000 1.541 494 P CA 0.040 63.154 63.100 0.024 0.000 1.093 494 P CB 0.032 31.743 31.700 0.019 0.000 1.551 495 A N 2.801 125.635 122.820 0.025 0.000 2.287 495 A HA 0.337 4.657 4.320 0.000 0.000 0.273 495 A C 0.601 178.195 177.584 0.017 0.000 1.091 495 A CA -0.296 51.754 52.037 0.022 0.000 0.817 495 A CB -0.078 18.936 19.000 0.024 0.000 1.069 495 A HN 0.646 nan 8.150 nan 0.000 0.492 499 N N 0.543 119.252 118.700 0.014 0.000 2.376 499 N HA -0.035 4.705 4.740 0.000 0.000 0.177 499 N C 0.536 176.063 175.510 0.029 0.000 1.024 499 N CA 0.776 53.836 53.050 0.017 0.000 0.893 499 N CB 0.073 38.563 38.487 0.005 0.000 0.980 499 N HN 0.682 nan 8.380 nan 0.000 0.439 500 Q N 0.362 120.178 119.800 0.026 0.000 2.640 500 Q HA 0.406 4.746 4.340 0.000 0.000 0.389 500 Q C 0.587 176.613 176.000 0.043 0.000 1.012 500 Q CA -0.420 55.407 55.803 0.040 0.000 1.060 500 Q CB 0.770 29.523 28.738 0.025 0.000 1.332 500 Q HN 0.202 nan 8.270 nan 0.000 0.418 501 A N 0.554 123.399 122.820 0.041 0.000 2.024 501 A HA -0.058 4.262 4.320 0.000 0.000 0.220 501 A C 1.089 178.696 177.584 0.038 0.000 1.164 501 A CA 1.066 53.124 52.037 0.035 0.000 0.643 501 A CB 0.056 19.074 19.000 0.030 0.000 0.806 501 A HN 0.335 nan 8.150 nan 0.000 0.451 502 V N -0.791 119.153 119.914 0.051 0.000 2.531 502 V HA 0.625 4.745 4.120 0.000 0.000 0.301 502 V C -1.300 174.836 176.094 0.070 0.000 1.034 502 V CA -0.993 61.337 62.300 0.050 0.000 0.865 502 V CB 1.524 33.374 31.823 0.044 0.000 0.995 502 V HN 0.492 nan 8.190 nan 0.000 0.424 503 N N 2.188 120.925 118.700 0.062 0.000 2.287 503 N HA 0.201 4.941 4.740 0.000 0.000 0.289 503 N C 0.717 176.262 175.510 0.059 0.000 1.066 503 N CA 0.040 53.134 53.050 0.074 0.000 0.841 503 N CB 2.226 40.752 38.487 0.065 0.000 1.599 503 N HN 0.705 nan 8.380 nan 0.000 0.476 504 S N 1.928 117.667 115.700 0.065 0.000 2.400 504 S HA -0.131 4.339 4.470 0.000 0.000 0.232 504 S C 1.163 175.788 174.600 0.041 0.000 1.025 504 S CA 0.522 58.750 58.200 0.048 0.000 0.993 504 S CB -0.747 62.482 63.200 0.049 0.000 0.808 504 S HN 0.682 nan 8.310 nan 0.000 0.478 505 L N -0.451 120.798 121.223 0.044 0.000 3.717 505 L HA -0.287 4.054 4.340 0.000 0.000 0.414 505 L C 1.724 178.612 176.870 0.029 0.000 1.228 505 L CA 0.080 54.942 54.840 0.037 0.000 0.918 505 L CB -2.383 39.701 42.059 0.042 0.000 1.865 505 L HN 0.516 nan 8.230 nan 0.000 0.922 506 A N -0.044 122.794 122.820 0.030 0.000 1.877 506 A HA -0.163 4.157 4.320 0.000 0.000 0.216 506 A C 1.884 179.477 177.584 0.015 0.000 1.186 506 A CA 1.893 53.943 52.037 0.022 0.000 0.620 506 A CB -0.149 18.866 19.000 0.025 0.000 0.822 506 A HN 0.428 nan 8.150 nan 0.000 0.443 507 L N 0.128 121.360 121.223 0.014 0.000 1.989 507 L HA -0.146 4.194 4.340 0.000 0.000 0.211 507 L C 2.310 179.181 176.870 0.002 0.000 1.071 507 L CA 1.850 56.693 54.840 0.006 0.000 0.749 507 L CB -0.482 41.579 42.059 0.003 0.000 0.890 507 L HN 0.460 nan 8.230 nan 0.000 0.431 508 I N -1.382 119.191 120.570 0.005 0.000 2.151 508 I HA -0.364 3.806 4.170 0.000 0.000 0.243 508 I C 2.676 178.795 176.117 0.004 0.000 1.080 508 I CA 1.705 63.006 61.300 0.003 0.000 1.339 508 I CB -0.596 37.408 38.000 0.007 0.000 1.039 508 I HN 0.322 nan 8.210 nan 0.000 0.409 509 S N 0.199 115.904 115.700 0.009 0.000 2.382 509 S HA -0.159 4.311 4.470 0.000 0.000 0.228 509 S C 2.141 176.742 174.600 0.002 0.000 1.027 509 S CA 1.360 59.564 58.200 0.007 0.000 0.991 509 S CB -0.188 63.018 63.200 0.011 0.000 0.823 509 S HN 0.491 nan 8.310 nan 0.000 0.469 510 A N 1.368 124.188 122.820 0.001 0.000 1.930 510 A HA 0.007 4.327 4.320 0.000 0.000 0.217 510 A C 2.199 179.780 177.584 -0.004 0.000 1.175 510 A CA 1.126 53.162 52.037 -0.002 0.000 0.627 510 A CB -0.503 18.495 19.000 -0.003 0.000 0.815 510 A HN 0.561 nan 8.150 nan 0.000 0.443 511 R N -0.822 119.674 120.500 -0.006 0.000 2.083 511 R HA -0.091 4.249 4.340 0.000 0.000 0.237 511 R C 2.441 178.738 176.300 -0.004 0.000 1.137 511 R CA 1.395 57.490 56.100 -0.009 0.000 0.951 511 R CB -0.262 30.031 30.300 -0.012 0.000 0.851 511 R HN 0.321 nan 8.270 nan 0.000 0.434 512 R N -0.069 120.430 120.500 -0.002 0.000 2.073 512 R HA -0.069 4.271 4.340 0.000 0.000 0.234 512 R C 2.221 178.524 176.300 0.004 0.000 1.134 512 R CA 1.735 57.837 56.100 0.003 0.000 0.952 512 R CB -1.049 29.252 30.300 0.001 0.000 0.850 512 R HN 0.270 nan 8.270 nan 0.000 0.433 513 T N 0.709 115.264 114.554 0.000 0.000 2.833 513 T HA -0.095 4.256 4.350 0.000 0.000 0.269 513 T C 1.707 176.408 174.700 0.001 0.000 1.054 513 T CA 1.792 63.891 62.100 -0.001 0.000 1.135 513 T CB -0.214 68.651 68.868 -0.006 0.000 0.869 513 T HN 0.327 nan 8.240 nan 0.000 0.466 514 T N 1.340 115.894 114.554 0.000 0.000 2.867 514 T HA -0.044 4.306 4.350 0.000 0.000 0.268 514 T C 1.878 176.581 174.700 0.005 0.000 1.057 514 T CA 0.982 63.082 62.100 0.001 0.000 1.136 514 T CB -0.095 68.770 68.868 -0.005 0.000 0.874 514 T HN 0.518 nan 8.240 nan 0.000 0.466 515 E N 0.649 120.853 120.200 0.006 0.000 2.107 515 E HA -0.066 4.284 4.350 0.000 0.000 0.191 515 E C 2.282 178.891 176.600 0.015 0.000 0.982 515 E CA 0.779 57.185 56.400 0.010 0.000 0.809 515 E CB 0.054 29.761 29.700 0.011 0.000 0.756 515 E HN 0.303 nan 8.360 nan 0.000 0.459 516 S N 0.921 116.631 115.700 0.016 0.000 2.368 516 S HA -0.122 4.348 4.470 0.000 0.000 0.225 516 S C 1.649 176.262 174.600 0.020 0.000 1.030 516 S CA 0.867 59.079 58.200 0.021 0.000 0.999 516 S CB -0.304 62.908 63.200 0.020 0.000 0.844 516 S HN 0.314 nan 8.310 nan 0.000 0.459 517 N N 1.540 120.250 118.700 0.016 0.000 2.069 517 N HA -0.142 4.598 4.740 0.000 0.000 0.191 517 N C 1.489 177.015 175.510 0.027 0.000 1.031 517 N CA 1.410 54.471 53.050 0.019 0.000 0.852 517 N CB -0.669 37.827 38.487 0.015 0.000 1.018 517 N HN 0.380 nan 8.380 nan 0.000 0.423 518 D N 0.398 120.816 120.400 0.029 0.000 2.097 518 D HA -0.077 4.563 4.640 0.000 0.000 0.195 518 D C 1.918 178.243 176.300 0.041 0.000 0.989 518 D CA 0.640 54.676 54.000 0.060 0.000 0.827 518 D CB -0.043 40.792 40.800 0.058 0.000 0.966 518 D HN -0.034 nan 8.370 nan 0.000 0.456 519 V N 0.702 120.608 119.914 -0.014 0.000 2.427 519 V HA -0.157 3.963 4.120 0.000 0.000 0.248 519 V C 2.628 178.670 176.094 -0.088 0.000 1.051 519 V CA 1.043 63.288 62.300 -0.092 0.000 1.048 519 V CB -0.423 31.382 31.823 -0.029 0.000 0.666 519 V HN 0.351 nan 8.190 nan 0.000 0.456 520 L N -0.285 120.938 121.223 0.001 0.000 2.141 520 L HA -0.150 4.191 4.340 0.000 0.000 0.209 520 L C 2.545 179.441 176.870 0.044 0.000 1.094 520 L CA 1.572 56.436 54.840 0.039 0.000 0.763 520 L CB -0.229 41.864 42.059 0.056 0.000 0.908 520 L HN 0.387 nan 8.230 nan 0.000 0.437 521 S N 0.100 115.831 115.700 0.052 0.000 2.383 521 S HA -0.173 4.297 4.470 0.000 0.000 0.229 521 S C 1.850 176.544 174.600 0.156 0.000 1.030 521 S CA 1.157 59.420 58.200 0.105 0.000 1.002 521 S CB -0.201 63.064 63.200 0.108 0.000 0.829 521 S HN 0.367 nan 8.310 nan 0.000 0.467 522 L N 0.411 121.629 121.223 -0.009 0.000 2.072 522 L HA -0.055 4.285 4.340 0.000 0.000 0.205 522 L C 2.364 179.159 176.870 -0.126 0.000 1.079 522 L CA 0.615 55.298 54.840 -0.262 0.000 0.752 522 L CB -0.497 40.990 42.059 -0.953 0.000 0.906 522 L HN 0.274 nan 8.230 nan 0.000 0.436 523 L N 0.110 121.295 121.223 -0.063 0.000 1.994 523 L HA -0.203 4.137 4.340 0.000 0.000 0.208 523 L C 2.308 179.325 176.870 0.245 0.000 1.071 523 L CA 1.837 56.829 54.840 0.254 0.000 0.745 523 L CB -0.520 41.694 42.059 0.259 0.000 0.892 523 L HN 0.104 nan 8.230 nan 0.000 0.431 524 L N -0.811 120.525 121.223 0.188 0.000 2.201 524 L HA -0.134 4.206 4.340 0.000 0.000 0.212 524 L C 2.589 179.569 176.870 0.184 0.000 1.105 524 L CA 0.951 55.904 54.840 0.190 0.000 0.775 524 L CB -0.995 41.140 42.059 0.127 0.000 0.913 524 L HN 0.382 nan 8.230 nan 0.000 0.440 525 A N -0.309 122.619 122.820 0.181 0.000 1.930 525 A HA -0.152 4.168 4.320 0.000 0.000 0.217 525 A C 2.371 180.085 177.584 0.217 0.000 1.175 525 A CA 2.082 54.234 52.037 0.192 0.000 0.627 525 A CB -0.682 18.449 19.000 0.219 0.000 0.815 525 A HN 0.324 nan 8.150 nan 0.000 0.443 526 T N -1.684 113.007 114.554 0.228 0.000 2.812 526 T HA -0.108 4.242 4.350 0.000 0.000 0.264 526 T C 1.803 176.684 174.700 0.300 0.000 1.042 526 T CA 1.463 63.708 62.100 0.243 0.000 1.140 526 T CB -0.400 68.623 68.868 0.258 0.000 0.870 526 T HN 0.769 nan 8.240 nan 0.000 0.445 527 H N 0.054 119.223 119.070 0.165 0.000 2.357 527 H HA -0.041 4.515 4.556 0.000 0.000 0.301 527 H C 2.324 177.719 175.328 0.111 0.000 1.082 527 H CA 0.910 57.032 56.048 0.123 0.000 1.342 527 H CB -0.074 29.753 29.762 0.108 0.000 1.389 527 H HN 0.138 nan 8.280 nan 0.000 0.511 528 L N 0.564 121.892 121.223 0.175 0.000 1.989 528 L HA -0.230 4.110 4.340 0.000 0.000 0.211 528 L C 2.282 179.231 176.870 0.132 0.000 1.071 528 L CA 1.979 56.867 54.840 0.081 0.000 0.749 528 L CB -1.354 40.760 42.059 0.092 0.000 0.890 528 L HN 0.370 nan 8.230 nan 0.000 0.431 529 Y N -0.458 119.889 120.300 0.079 0.000 2.139 529 Y HA -0.361 4.189 4.550 0.000 0.000 0.282 529 Y C 2.588 178.519 175.900 0.052 0.000 1.179 529 Y CA 2.215 60.353 58.100 0.064 0.000 1.161 529 Y CB -0.745 37.759 38.460 0.073 0.000 0.970 529 Y HN 0.353 nan 8.280 nan 0.000 0.511 530 C N -0.871 118.516 119.300 0.144 0.000 2.476 530 C HA -0.121 4.339 4.460 0.000 0.000 0.278 530 C C 2.760 177.737 174.990 -0.021 0.000 1.274 530 C CA 1.023 60.053 59.018 0.020 0.000 1.713 530 C CB -1.265 26.537 27.740 0.104 0.000 2.039 530 C HN 0.596 nan 8.230 nan 0.000 0.484 531 V N 0.709 120.657 119.914 0.057 0.000 2.392 531 V HA -0.236 3.884 4.120 0.000 0.000 0.249 531 V C 2.165 178.235 176.094 -0.039 0.000 1.059 531 V CA 1.865 64.171 62.300 0.010 0.000 1.051 531 V CB -1.150 30.671 31.823 -0.004 0.000 0.658 531 V HN 0.549 nan 8.190 nan 0.000 0.455 532 L N -0.741 120.453 121.223 -0.048 0.000 2.056 532 L HA -0.140 4.200 4.340 0.000 0.000 0.207 532 L C 2.951 179.786 176.870 -0.057 0.000 1.078 532 L CA 1.590 56.412 54.840 -0.031 0.000 0.749 532 L CB -0.699 41.287 42.059 -0.122 0.000 0.901 532 L HN 0.317 nan 8.230 nan 0.000 0.433 533 Q N 0.127 119.833 119.800 -0.157 0.000 2.084 533 Q HA -0.176 4.164 4.340 0.000 0.000 0.202 533 Q C 2.310 178.257 176.000 -0.088 0.000 0.978 533 Q CA 2.043 57.778 55.803 -0.113 0.000 0.844 533 Q CB -0.254 28.395 28.738 -0.148 0.000 0.898 533 Q HN 0.504 nan 8.270 nan 0.000 0.426 534 A N 0.789 123.544 122.820 -0.108 0.000 1.877 534 A HA -0.180 4.140 4.320 0.000 0.000 0.216 534 A C 2.013 179.469 177.584 -0.213 0.000 1.186 534 A CA 1.700 53.652 52.037 -0.141 0.000 0.620 534 A CB -0.814 18.109 19.000 -0.128 0.000 0.822 534 A HN 0.498 nan 8.150 nan 0.000 0.443 535 I N -2.215 118.230 120.570 -0.209 0.000 2.493 535 I HA -0.131 4.039 4.170 0.000 0.000 0.254 535 I C 1.343 177.327 176.117 -0.222 0.000 1.160 535 I CA 2.077 63.168 61.300 -0.348 0.000 1.445 535 I CB -0.437 37.400 38.000 -0.272 0.000 1.086 535 I HN 0.075 nan 8.210 nan 0.000 0.433 536 D N 0.919 121.256 120.400 -0.104 0.000 2.123 536 D HA -0.066 4.574 4.640 0.000 0.000 0.200 536 D C 2.076 178.161 176.300 -0.358 0.000 0.976 536 D CA 1.255 55.163 54.000 -0.153 0.000 0.831 536 D CB -0.035 40.709 40.800 -0.093 0.000 0.974 536 D HN 0.315 nan 8.370 nan 0.000 0.469 537 L N 0.570 121.618 121.223 -0.292 0.000 2.083 537 L HA -0.098 4.242 4.340 0.000 0.000 0.209 537 L C 2.322 179.042 176.870 -0.249 0.000 1.083 537 L CA 1.102 55.778 54.840 -0.273 0.000 0.752 537 L CB -0.564 41.388 42.059 -0.178 0.000 0.899 537 L HN -0.106 nan 8.230 nan 0.000 0.433 538 R N -0.205 120.115 120.500 -0.299 0.000 2.115 538 R HA -0.014 4.326 4.340 0.000 0.000 0.226 538 R C 2.166 178.267 176.300 -0.331 0.000 1.100 538 R CA 1.253 57.128 56.100 -0.375 0.000 0.980 538 R CB -0.449 29.457 30.300 -0.656 0.000 0.875 538 R HN 0.309 nan 8.270 nan 0.000 0.445 539 A N 0.531 123.249 122.820 -0.169 0.000 1.873 539 A HA -0.094 4.226 4.320 0.000 0.000 0.215 539 A C 2.190 179.790 177.584 0.027 0.000 1.186 539 A CA 1.529 53.578 52.037 0.021 0.000 0.616 539 A CB -0.569 18.538 19.000 0.178 0.000 0.823 539 A HN 0.334 nan 8.150 nan 0.000 0.442 540 I N -0.414 120.090 120.570 -0.109 0.000 2.208 540 I HA -0.293 3.878 4.170 0.000 0.000 0.245 540 I C 2.607 178.779 176.117 0.092 0.000 1.097 540 I CA 1.944 63.209 61.300 -0.059 0.000 1.363 540 I CB -0.427 37.436 38.000 -0.227 0.000 1.051 540 I HN 0.596 nan 8.210 nan 0.000 0.413 541 E N 1.082 121.327 120.200 0.076 0.000 2.085 541 E HA -0.247 4.103 4.350 0.000 0.000 0.194 541 E C 2.207 179.060 176.600 0.421 0.000 0.994 541 E CA 1.505 58.039 56.400 0.224 0.000 0.801 541 E CB -0.070 29.736 29.700 0.177 0.000 0.743 541 E HN 0.311 nan 8.360 nan 0.000 0.453 542 F N 1.187 121.147 119.950 0.017 0.000 2.234 542 F HA -0.041 4.486 4.527 0.000 0.000 0.299 542 F C 2.342 178.175 175.800 0.054 0.000 1.087 542 F CA 1.201 59.160 58.000 -0.069 0.000 1.340 542 F CB -0.521 38.186 39.000 -0.489 0.000 1.031 542 F HN 0.092 nan 8.300 nan 0.000 0.500 543 E N -0.770 119.625 120.200 0.325 0.000 2.274 543 E HA -0.149 4.201 4.350 0.000 0.000 0.194 543 E C 1.926 178.671 176.600 0.242 0.000 0.996 543 E CA 0.572 57.140 56.400 0.280 0.000 0.840 543 E CB -0.413 29.447 29.700 0.266 0.000 0.772 543 E HN 0.363 nan 8.360 nan 0.000 0.491 544 F N 0.461 120.483 119.950 0.120 0.000 2.262 544 F HA 0.100 4.627 4.527 0.000 0.000 0.292 544 F C 1.771 177.647 175.800 0.126 0.000 1.081 544 F CA 0.803 58.859 58.000 0.093 0.000 1.355 544 F CB 0.118 39.153 39.000 0.058 0.000 1.069 544 F HN -0.184 nan 8.300 nan 0.000 0.506 545 K N 1.069 121.539 120.400 0.117 0.000 2.103 545 K HA -0.228 4.092 4.320 0.000 0.000 0.207 545 K C 2.147 178.710 176.600 -0.061 0.000 1.048 545 K CA 1.263 57.556 56.287 0.011 0.000 0.930 545 K CB -0.419 32.135 32.500 0.090 0.000 0.716 545 K HN 0.318 nan 8.250 nan 0.000 0.444 546 K N 1.095 121.482 120.400 -0.022 0.000 2.211 546 K HA -0.199 4.121 4.320 0.000 0.000 0.204 546 K C 1.693 178.265 176.600 -0.047 0.000 1.047 546 K CA 1.473 57.749 56.287 -0.019 0.000 0.935 546 K CB 0.179 32.706 32.500 0.045 0.000 0.728 546 K HN 0.247 nan 8.250 nan 0.000 0.452 547 Q N -1.527 118.221 119.800 -0.087 0.000 2.423 547 Q HA 0.011 4.351 4.340 0.000 0.000 0.231 547 Q C 1.683 177.597 176.000 -0.143 0.000 0.894 547 Q CA 0.097 55.842 55.803 -0.096 0.000 0.938 547 Q CB 0.085 28.783 28.738 -0.067 0.000 1.079 547 Q HN 0.178 nan 8.270 nan 0.000 0.552 548 F N 1.657 121.320 119.950 -0.477 0.000 2.186 548 F HA -0.031 4.496 4.527 0.000 0.000 0.299 548 F C 1.986 177.643 175.800 -0.238 0.000 1.090 548 F CA 1.591 59.292 58.000 -0.498 0.000 1.307 548 F CB -0.640 37.786 39.000 -0.958 0.000 1.019 548 F HN 0.047 nan 8.300 nan 0.000 0.489 549 G N 0.824 109.499 108.800 -0.207 0.000 2.599 549 G HA2 -0.297 3.663 3.960 0.000 0.000 0.219 549 G HA3 -0.297 3.663 3.960 0.000 0.000 0.219 549 G C -0.579 174.188 174.900 -0.223 0.000 1.193 549 G CA 1.215 46.201 45.100 -0.190 0.000 0.778 549 G HN 0.297 nan 8.290 nan 0.000 0.589 550 P HA 0.058 nan 4.420 nan 0.000 0.217 550 P C 2.229 179.425 177.300 -0.173 0.000 1.151 550 P CA 1.774 64.793 63.100 -0.136 0.000 0.828 550 P CB -0.180 31.463 31.700 -0.096 0.000 0.788 551 A N -0.390 122.286 122.820 -0.239 0.000 1.917 551 A HA -0.220 4.101 4.320 0.000 0.000 0.219 551 A C 2.189 179.592 177.584 -0.301 0.000 1.182 551 A CA 1.601 53.489 52.037 -0.248 0.000 0.633 551 A CB -1.686 17.164 19.000 -0.251 0.000 0.819 551 A HN 0.115 nan 8.150 nan 0.000 0.448 552 I N -0.544 119.745 120.570 -0.468 0.000 2.142 552 I HA -0.225 3.945 4.170 0.000 0.000 0.240 552 I C 2.365 178.453 176.117 -0.048 0.000 1.078 552 I CA 1.360 62.483 61.300 -0.295 0.000 1.343 552 I CB -0.442 37.376 38.000 -0.302 0.000 1.046 552 I HN 0.170 nan 8.210 nan 0.000 0.405 553 V N -0.108 119.763 119.914 -0.071 0.000 2.343 553 V HA -0.300 3.820 4.120 0.000 0.000 0.247 553 V C 2.592 178.682 176.094 -0.007 0.000 1.051 553 V CA 2.217 64.508 62.300 -0.016 0.000 1.036 553 V CB -0.664 31.138 31.823 -0.035 0.000 0.654 553 V HN 0.447 nan 8.190 nan 0.000 0.451 554 S N -0.497 115.181 115.700 -0.037 0.000 2.382 554 S HA -0.161 4.309 4.470 0.000 0.000 0.228 554 S C 1.883 176.487 174.600 0.006 0.000 1.027 554 S CA 1.457 59.641 58.200 -0.027 0.000 0.991 554 S CB -0.242 62.929 63.200 -0.048 0.000 0.823 554 S HN 0.356 nan 8.310 nan 0.000 0.469 555 L N 1.468 122.712 121.223 0.035 0.000 2.072 555 L HA 0.214 4.554 4.340 0.000 0.000 0.205 555 L C 2.122 179.111 176.870 0.197 0.000 1.079 555 L CA 1.376 56.305 54.840 0.147 0.000 0.752 555 L CB -0.707 41.399 42.059 0.078 0.000 0.906 555 L HN 0.372 nan 8.230 nan 0.000 0.436 556 I N -0.568 120.096 120.570 0.156 0.000 2.361 556 I HA -0.296 3.874 4.170 0.000 0.000 0.251 556 I C 1.810 177.895 176.117 -0.055 0.000 1.133 556 I CA 1.089 62.359 61.300 -0.049 0.000 1.413 556 I CB -0.298 37.738 38.000 0.061 0.000 1.073 556 I HN 0.300 nan 8.210 nan 0.000 0.424 557 D N 0.311 120.709 120.400 -0.003 0.000 2.149 557 D HA -0.144 4.496 4.640 0.000 0.000 0.201 557 D C 2.234 178.514 176.300 -0.033 0.000 0.972 557 D CA 1.079 55.076 54.000 -0.006 0.000 0.835 557 D CB -0.089 40.707 40.800 -0.008 0.000 0.966 557 D HN 0.441 nan 8.370 nan 0.000 0.476 558 Q N -0.403 119.365 119.800 -0.053 0.000 2.020 558 Q HA -0.082 4.259 4.340 0.000 0.000 0.198 558 Q C 2.073 177.939 176.000 -0.223 0.000 0.974 558 Q CA 0.853 56.577 55.803 -0.131 0.000 0.829 558 Q CB -0.023 28.618 28.738 -0.161 0.000 0.894 558 Q HN 0.494 nan 8.270 nan 0.000 0.433 559 H N -1.341 117.592 119.070 -0.228 0.000 2.436 559 H HA 0.075 4.631 4.556 0.000 0.000 0.294 559 H C 0.471 175.639 175.328 -0.268 0.000 1.048 559 H CA 0.700 56.545 56.048 -0.338 0.000 1.353 559 H CB 0.371 29.799 29.762 -0.558 0.000 1.414 559 H HN 0.102 nan 8.280 nan 0.000 0.536 560 F N -1.771 118.188 119.950 0.015 0.000 2.782 560 F HA 0.471 4.998 4.527 0.000 0.000 0.366 560 F C 1.524 177.294 175.800 -0.049 0.000 1.171 560 F CA -0.353 57.610 58.000 -0.061 0.000 1.064 560 F CB 1.617 40.520 39.000 -0.163 0.000 1.449 560 F HN 0.102 nan 8.300 nan 0.000 0.520 561 G N 0.271 109.170 108.800 0.166 0.000 2.659 561 G HA2 -0.390 3.570 3.960 0.000 0.000 0.212 561 G HA3 -0.390 3.570 3.960 0.000 0.000 0.212 561 G C 1.227 176.152 174.900 0.043 0.000 1.226 561 G CA 0.568 45.709 45.100 0.069 0.000 0.739 561 G HN 0.758 nan 8.290 nan 0.000 0.528 562 S N 1.428 117.156 115.700 0.047 0.000 2.368 562 S HA 0.406 4.876 4.470 0.000 0.000 0.225 562 S C 1.666 176.282 174.600 0.027 0.000 1.030 562 S CA 1.923 60.139 58.200 0.028 0.000 0.999 562 S CB -0.495 62.721 63.200 0.027 0.000 0.844 562 S HN 1.915 nan 8.310 nan 0.000 0.459 566 G N 1.602 110.397 108.800 -0.009 0.000 3.206 566 G HA2 -0.291 3.669 3.960 0.000 0.000 0.217 566 G HA3 -0.291 3.669 3.960 0.000 0.000 0.217 566 G C 0.723 175.615 174.900 -0.013 0.000 1.350 566 G CA 0.484 45.578 45.100 -0.010 0.000 0.836 566 G HN 1.251 nan 8.290 nan 0.000 0.548 567 S N 0.268 115.958 115.700 -0.017 0.000 2.625 567 S HA 0.471 4.941 4.470 0.000 0.000 0.258 567 S C 0.866 175.455 174.600 -0.019 0.000 1.256 567 S CA 0.447 58.634 58.200 -0.020 0.000 0.983 567 S CB 0.612 63.795 63.200 -0.028 0.000 1.032 567 S HN 0.571 nan 8.310 nan 0.000 0.572 568 N N 0.481 119.168 118.700 -0.022 0.000 2.433 568 N HA 0.160 4.900 4.740 0.000 0.000 0.270 568 N C -0.102 175.393 175.510 -0.026 0.000 1.354 568 N CA 0.025 53.062 53.050 -0.021 0.000 0.889 568 N CB 0.060 38.537 38.487 -0.018 0.000 1.285 568 N HN 0.192 nan 8.380 nan 0.000 0.503 569 L N 0.671 121.874 121.223 -0.033 0.000 2.209 569 L HA 0.141 4.481 4.340 0.000 0.000 0.207 569 L C 2.447 179.293 176.870 -0.040 0.000 1.094 569 L CA 0.806 55.620 54.840 -0.044 0.000 0.790 569 L CB -0.843 41.178 42.059 -0.063 0.000 0.932 569 L HN 0.167 nan 8.230 nan 0.000 0.447 570 R N 0.843 121.325 120.500 -0.029 0.000 2.134 570 R HA -0.227 4.113 4.340 0.000 0.000 0.248 570 R C 1.750 178.041 176.300 -0.015 0.000 1.143 570 R CA 2.160 58.249 56.100 -0.017 0.000 0.957 570 R CB -0.773 29.523 30.300 -0.007 0.000 0.867 570 R HN 0.356 nan 8.270 nan 0.000 0.441 571 D N -0.290 120.101 120.400 -0.016 0.000 2.144 571 D HA -0.152 4.488 4.640 0.000 0.000 0.200 571 D C 1.668 177.959 176.300 -0.016 0.000 0.978 571 D CA 1.425 55.417 54.000 -0.013 0.000 0.833 571 D CB -0.193 40.599 40.800 -0.013 0.000 0.961 571 D HN 0.593 nan 8.370 nan 0.000 0.470 572 E N 0.448 120.634 120.200 -0.023 0.000 2.152 572 E HA -0.085 4.265 4.350 0.000 0.000 0.192 572 E C 2.251 178.834 176.600 -0.029 0.000 0.983 572 E CA 0.113 56.498 56.400 -0.026 0.000 0.818 572 E CB 0.093 29.774 29.700 -0.031 0.000 0.758 572 E HN 0.170 nan 8.360 nan 0.000 0.467 573 L N 0.482 121.683 121.223 -0.036 0.000 1.988 573 L HA -0.152 4.188 4.340 0.000 0.000 0.207 573 L C 2.445 179.311 176.870 -0.007 0.000 1.071 573 L CA 1.141 55.955 54.840 -0.043 0.000 0.744 573 L CB -0.373 41.645 42.059 -0.069 0.000 0.893 573 L HN 0.124 nan 8.230 nan 0.000 0.433 574 V N 0.313 120.231 119.914 0.006 0.000 2.324 574 V HA -0.354 3.766 4.120 0.000 0.000 0.250 574 V C 2.508 178.616 176.094 0.022 0.000 1.060 574 V CA 2.283 64.600 62.300 0.027 0.000 1.042 574 V CB -0.611 31.221 31.823 0.016 0.000 0.650 574 V HN 0.569 nan 8.190 nan 0.000 0.450 575 E N -0.114 120.089 120.200 0.004 0.000 2.107 575 E HA -0.214 4.136 4.350 0.000 0.000 0.191 575 E C 2.238 178.835 176.600 -0.005 0.000 0.982 575 E CA 1.141 57.541 56.400 -0.001 0.000 0.809 575 E CB 0.011 29.706 29.700 -0.009 0.000 0.756 575 E HN 0.590 nan 8.360 nan 0.000 0.459 576 K N -0.012 120.382 120.400 -0.010 0.000 2.186 576 K HA -0.009 4.311 4.320 0.000 0.000 0.202 576 K C 2.123 178.712 176.600 -0.018 0.000 1.052 576 K CA 0.706 56.979 56.287 -0.023 0.000 0.965 576 K CB 0.252 32.733 32.500 -0.031 0.000 0.746 576 K HN 0.021 nan 8.250 nan 0.000 0.457 577 V N 2.389 122.320 119.914 0.030 0.000 2.427 577 V HA -0.234 3.886 4.120 0.000 0.000 0.248 577 V C 1.843 177.978 176.094 0.069 0.000 1.051 577 V CA 1.572 63.929 62.300 0.096 0.000 1.048 577 V CB -0.449 31.515 31.823 0.236 0.000 0.666 577 V HN 0.341 nan 8.190 nan 0.000 0.456 578 N N 0.270 119.004 118.700 0.057 0.000 2.142 578 N HA -0.141 4.599 4.740 0.000 0.000 0.186 578 N C 1.859 177.370 175.510 0.002 0.000 1.023 578 N CA 1.284 54.361 53.050 0.045 0.000 0.852 578 N CB -0.210 38.298 38.487 0.036 0.000 0.998 578 N HN 0.495 nan 8.380 nan 0.000 0.424 579 K N -0.039 120.347 120.400 -0.023 0.000 2.148 579 K HA 0.001 4.321 4.320 0.000 0.000 0.204 579 K C 1.877 178.414 176.600 -0.105 0.000 1.050 579 K CA 1.000 57.257 56.287 -0.050 0.000 0.942 579 K CB 0.001 32.472 32.500 -0.048 0.000 0.724 579 K HN 0.127 nan 8.250 nan 0.000 0.446 580 T N 1.650 116.110 114.554 -0.156 0.000 2.809 580 T HA -0.011 4.339 4.350 0.000 0.000 0.260 580 T C 1.820 176.355 174.700 -0.274 0.000 1.039 580 T CA 0.736 62.640 62.100 -0.327 0.000 1.141 580 T CB -0.091 68.512 68.868 -0.440 0.000 0.869 580 T HN 0.074 nan 8.240 nan 0.000 0.437 581 L N 0.952 122.077 121.223 -0.163 0.000 1.990 581 L HA -0.182 4.159 4.340 0.000 0.000 0.213 581 L C 3.063 179.876 176.870 -0.094 0.000 1.072 581 L CA 1.570 56.328 54.840 -0.137 0.000 0.755 581 L CB -0.756 41.271 42.059 -0.054 0.000 0.889 581 L HN 0.247 nan 8.230 nan 0.000 0.432 582 A N -0.138 122.655 122.820 -0.046 0.000 1.908 582 A HA -0.274 4.046 4.320 0.000 0.000 0.218 582 A C 2.411 179.963 177.584 -0.053 0.000 1.181 582 A CA 2.101 54.121 52.037 -0.028 0.000 0.627 582 A CB -0.535 18.463 19.000 -0.004 0.000 0.818 582 A HN 0.368 nan 8.150 nan 0.000 0.445 583 K N -0.875 119.482 120.400 -0.071 0.000 2.032 583 K HA -0.238 4.083 4.320 0.000 0.000 0.209 583 K C 2.320 178.901 176.600 -0.032 0.000 1.048 583 K CA 1.882 58.137 56.287 -0.054 0.000 0.927 583 K CB -0.133 32.318 32.500 -0.083 0.000 0.712 583 K HN 0.318 nan 8.250 nan 0.000 0.441 584 R N 0.414 120.888 120.500 -0.044 0.000 2.080 584 R HA 0.013 4.353 4.340 0.000 0.000 0.222 584 R C 2.149 178.369 176.300 -0.134 0.000 1.107 584 R CA 0.794 56.890 56.100 -0.008 0.000 0.980 584 R CB -0.728 29.645 30.300 0.123 0.000 0.879 584 R HN 0.140 nan 8.270 nan 0.000 0.439 585 L N 1.705 122.815 121.223 -0.187 0.000 2.089 585 L HA -0.152 4.188 4.340 0.000 0.000 0.213 585 L C 1.836 178.576 176.870 -0.216 0.000 1.079 585 L CA 1.857 56.530 54.840 -0.277 0.000 0.758 585 L CB -0.792 41.112 42.059 -0.257 0.000 0.891 585 L HN 0.361 nan 8.230 nan 0.000 0.433 586 E N -1.079 119.042 120.200 -0.132 0.000 2.338 586 E HA -0.183 4.167 4.350 0.000 0.000 0.197 586 E C 1.502 178.042 176.600 -0.100 0.000 1.007 586 E CA 0.519 56.859 56.400 -0.100 0.000 0.849 586 E CB 0.081 29.745 29.700 -0.059 0.000 0.774 586 E HN 0.647 nan 8.360 nan 0.000 0.506 587 Q N -0.632 119.098 119.800 -0.116 0.000 2.247 587 Q HA 0.026 4.366 4.340 0.000 0.000 0.204 587 Q C 0.891 176.799 176.000 -0.153 0.000 0.872 587 Q CA 0.511 56.257 55.803 -0.096 0.000 0.951 587 Q CB 0.961 29.661 28.738 -0.062 0.000 1.099 587 Q HN 0.111 nan 8.270 nan 0.000 0.501 588 T N -2.714 111.678 114.554 -0.270 0.000 3.288 588 T HA 0.037 4.387 4.350 0.000 0.000 0.293 588 T C 0.864 175.396 174.700 -0.281 0.000 1.008 588 T CA -0.429 61.390 62.100 -0.468 0.000 0.929 588 T CB -0.137 68.149 68.868 -0.970 0.000 1.152 588 T HN 0.164 nan 8.240 nan 0.000 0.517 589 N N 1.913 120.514 118.700 -0.165 0.000 2.635 589 N HA -0.085 4.655 4.740 0.000 0.000 0.191 589 N C 1.123 176.603 175.510 -0.049 0.000 1.155 589 N CA 0.908 53.881 53.050 -0.127 0.000 0.927 589 N CB -0.324 38.099 38.487 -0.108 0.000 0.976 589 N HN 0.608 nan 8.380 nan 0.000 0.448 590 S N -2.102 113.624 115.700 0.044 0.000 2.559 590 S HA 0.197 4.667 4.470 0.000 0.000 0.226 590 S C -0.017 174.662 174.600 0.131 0.000 1.000 590 S CA -0.755 57.487 58.200 0.071 0.000 0.948 590 S CB -0.227 63.014 63.200 0.067 0.000 0.870 590 S HN 0.073 nan 8.310 nan 0.000 0.497 591 Y N 2.941 123.179 120.300 -0.103 0.000 2.300 591 Y HA 0.449 4.999 4.550 0.000 0.000 0.328 591 Y C 0.707 176.552 175.900 -0.092 0.000 1.270 591 Y CA -1.418 56.628 58.100 -0.091 0.000 1.352 591 Y CB 0.188 38.581 38.460 -0.112 0.000 1.286 591 Y HN 0.107 nan 8.280 nan 0.000 0.536 592 D N 1.118 121.563 120.400 0.075 0.000 2.344 592 D HA 0.003 4.643 4.640 0.000 0.000 0.244 592 D C 1.226 177.563 176.300 0.061 0.000 1.134 592 D CA -0.239 53.783 54.000 0.036 0.000 0.930 592 D CB 1.036 41.850 40.800 0.023 0.000 1.175 592 D HN 0.493 nan 8.370 nan 0.000 0.437 593 L N 2.660 123.915 121.223 0.052 0.000 1.997 593 L HA -0.295 4.045 4.340 0.000 0.000 0.227 593 L C 2.112 179.102 176.870 0.198 0.000 1.087 593 L CA 1.905 56.811 54.840 0.109 0.000 0.797 593 L CB -0.616 41.514 42.059 0.119 0.000 0.902 593 L HN 0.373 nan 8.230 nan 0.000 0.441 594 V N 0.701 120.731 119.914 0.192 0.000 2.255 594 V HA -0.205 3.915 4.120 0.000 0.000 0.247 594 V C -0.262 176.009 176.094 0.295 0.000 1.051 594 V CA 2.439 64.892 62.300 0.255 0.000 1.018 594 V CB -2.116 29.834 31.823 0.213 0.000 0.641 594 V HN 0.489 nan 8.190 nan 0.000 0.445 595 P HA -0.162 nan 4.420 nan 0.000 0.221 595 P C 1.616 179.061 177.300 0.241 0.000 1.150 595 P CA 1.327 64.570 63.100 0.239 0.000 0.800 595 P CB -0.067 31.737 31.700 0.173 0.000 0.787 596 R N -0.423 120.151 120.500 0.124 0.000 2.070 596 R HA -0.138 4.202 4.340 0.000 0.000 0.233 596 R C 2.232 178.351 176.300 -0.302 0.000 1.137 596 R CA 1.882 57.871 56.100 -0.184 0.000 0.945 596 R CB -0.732 29.330 30.300 -0.396 0.000 0.845 596 R HN 0.167 nan 8.270 nan 0.000 0.430 597 W N -0.440 120.863 121.300 0.004 0.000 2.418 597 W HA -0.095 4.565 4.660 0.000 0.000 0.292 597 W C 2.370 178.928 176.519 0.064 0.000 1.213 597 W CA 0.534 57.880 57.345 0.002 0.000 1.283 597 W CB -0.209 29.235 29.460 -0.026 0.000 1.119 597 W HN 0.257 nan 8.180 nan 0.000 0.542 598 H N -0.585 118.667 119.070 0.303 0.000 2.457 598 H HA -0.127 4.429 4.556 0.000 0.000 0.294 598 H C 1.404 176.845 175.328 0.188 0.000 1.064 598 H CA 1.970 58.161 56.048 0.238 0.000 1.330 598 H CB -0.390 29.471 29.762 0.164 0.000 1.395 598 H HN 0.302 nan 8.280 nan 0.000 0.541 599 D N 0.252 120.781 120.400 0.216 0.000 2.103 599 D HA -0.058 4.582 4.640 0.000 0.000 0.199 599 D C 2.368 178.710 176.300 0.069 0.000 0.978 599 D CA 1.206 55.271 54.000 0.109 0.000 0.829 599 D CB 0.058 40.858 40.800 -0.000 0.000 0.981 599 D HN 0.209 nan 8.370 nan 0.000 0.464 600 A N -0.018 122.779 122.820 -0.038 0.000 1.849 600 A HA -0.159 4.161 4.320 0.000 0.000 0.217 600 A C 2.116 179.675 177.584 -0.042 0.000 1.202 600 A CA 1.454 53.415 52.037 -0.126 0.000 0.629 600 A CB -1.467 17.328 19.000 -0.343 0.000 0.834 600 A HN 0.422 nan 8.150 nan 0.000 0.447 601 F N 0.096 120.150 119.950 0.174 0.000 2.451 601 F HA -0.105 4.422 4.527 0.000 0.000 0.299 601 F C 2.866 178.780 175.800 0.188 0.000 1.101 601 F CA 1.129 59.207 58.000 0.130 0.000 1.436 601 F CB -0.042 38.931 39.000 -0.046 0.000 1.074 601 F HN 0.308 nan 8.300 nan 0.000 0.553 602 S N 0.083 115.987 115.700 0.341 0.000 2.368 602 S HA -0.222 4.248 4.470 0.000 0.000 0.224 602 S C 2.098 176.902 174.600 0.340 0.000 1.029 602 S CA 1.017 59.395 58.200 0.297 0.000 0.988 602 S CB -0.631 62.700 63.200 0.217 0.000 0.838 602 S HN 0.501 nan 8.310 nan 0.000 0.462 603 F N 1.658 121.678 119.950 0.117 0.000 2.186 603 F HA -0.045 4.482 4.527 0.000 0.000 0.299 603 F C 2.476 178.356 175.800 0.134 0.000 1.090 603 F CA 0.670 58.722 58.000 0.085 0.000 1.307 603 F CB -0.366 38.645 39.000 0.018 0.000 1.019 603 F HN 0.389 nan 8.300 nan 0.000 0.489 604 A N 0.660 123.675 122.820 0.326 0.000 1.883 604 A HA -0.220 4.100 4.320 0.000 0.000 0.217 604 A C 2.315 180.161 177.584 0.436 0.000 1.186 604 A CA 1.794 54.024 52.037 0.323 0.000 0.624 604 A CB -1.452 17.846 19.000 0.497 0.000 0.822 604 A HN 0.475 nan 8.150 nan 0.000 0.444 605 A N -0.566 122.574 122.820 0.533 0.000 1.986 605 A HA 0.016 4.336 4.320 0.000 0.000 0.220 605 A C 2.378 180.125 177.584 0.271 0.000 1.171 605 A CA 2.106 54.417 52.037 0.458 0.000 0.640 605 A CB -1.408 17.844 19.000 0.420 0.000 0.811 605 A HN 0.834 nan 8.150 nan 0.000 0.451 606 G N -0.827 108.141 108.800 0.281 0.000 2.432 606 G HA2 -0.177 3.783 3.960 0.000 0.000 0.219 606 G HA3 -0.177 3.783 3.960 0.000 0.000 0.219 606 G C 1.695 176.687 174.900 0.153 0.000 1.135 606 G CA 1.940 47.175 45.100 0.225 0.000 0.767 606 G HN 0.758 nan 8.290 nan 0.000 0.550 607 T N -1.409 113.224 114.554 0.131 0.000 3.043 607 T HA -0.013 4.337 4.350 0.000 0.000 0.263 607 T C 2.364 177.064 174.700 -0.001 0.000 1.094 607 T CA 1.356 63.484 62.100 0.045 0.000 1.127 607 T CB 0.011 68.873 68.868 -0.009 0.000 0.905 607 T HN 0.357 nan 8.240 nan 0.000 0.490 608 V N 0.779 120.689 119.914 -0.007 0.000 2.548 608 V HA 0.029 4.149 4.120 0.000 0.000 0.249 608 V C 2.350 178.359 176.094 -0.140 0.000 1.055 608 V CA 1.203 63.413 62.300 -0.150 0.000 1.065 608 V CB -0.809 30.834 31.823 -0.300 0.000 0.681 608 V HN 0.361 nan 8.190 nan 0.000 0.462 609 V N 0.823 120.707 119.914 -0.049 0.000 2.469 609 V HA -0.251 3.869 4.120 0.000 0.000 0.251 609 V C 2.658 178.727 176.094 -0.042 0.000 1.064 609 V CA 2.662 64.940 62.300 -0.037 0.000 1.066 609 V CB -0.629 31.206 31.823 0.021 0.000 0.667 609 V HN 0.778 nan 8.190 nan 0.000 0.461 610 E N -0.022 120.160 120.200 -0.030 0.000 2.122 610 E HA -0.122 4.228 4.350 0.000 0.000 0.190 610 E C 2.162 178.731 176.600 -0.051 0.000 0.977 610 E CA 1.399 57.783 56.400 -0.028 0.000 0.820 610 E CB 0.253 29.949 29.700 -0.006 0.000 0.770 610 E HN 0.566 nan 8.360 nan 0.000 0.462 611 V N -0.724 119.146 119.914 -0.074 0.000 2.488 611 V HA -0.074 4.046 4.120 0.000 0.000 0.246 611 V C 1.781 177.807 176.094 -0.114 0.000 1.046 611 V CA 0.802 63.050 62.300 -0.086 0.000 1.053 611 V CB -0.257 31.510 31.823 -0.093 0.000 0.679 611 V HN 0.099 nan 8.190 nan 0.000 0.458 612 L N 1.241 122.366 121.223 -0.163 0.000 2.653 612 L HA 0.345 4.685 4.340 0.000 0.000 0.232 612 L C 2.392 179.181 176.870 -0.136 0.000 1.169 612 L CA 1.118 55.843 54.840 -0.191 0.000 0.951 612 L CB -0.716 41.139 42.059 -0.341 0.000 1.181 612 L HN 0.416 nan 8.230 nan 0.000 0.460 613 S N 0.020 115.663 115.700 -0.095 0.000 2.407 613 S HA -0.195 4.276 4.470 0.000 0.000 0.235 613 S C 1.849 176.417 174.600 -0.052 0.000 1.036 613 S CA 1.886 60.048 58.200 -0.063 0.000 1.013 613 S CB 0.017 63.190 63.200 -0.044 0.000 0.820 613 S HN 0.643 nan 8.310 nan 0.000 0.476 614 S N -0.344 115.323 115.700 -0.055 0.000 2.582 614 S HA 0.309 4.779 4.470 0.000 0.000 0.234 614 S C 0.436 175.009 174.600 -0.046 0.000 0.961 614 S CA -0.560 57.614 58.200 -0.042 0.000 0.953 614 S CB 0.354 63.533 63.200 -0.035 0.000 0.800 614 S HN 0.290 nan 8.310 nan 0.000 0.471 615 T N 2.532 117.048 114.554 -0.063 0.000 2.862 615 T HA 0.377 4.727 4.350 0.000 0.000 0.276 615 T C 1.063 175.736 174.700 -0.046 0.000 0.974 615 T CA -0.154 61.907 62.100 -0.064 0.000 0.966 615 T CB 1.298 70.102 68.868 -0.106 0.000 1.072 615 T HN 0.418 nan 8.240 nan 0.000 0.538 616 S N 0.158 115.839 115.700 -0.032 0.000 2.582 616 S HA 0.293 4.763 4.470 0.000 0.000 0.234 616 S C 0.408 175.005 174.600 -0.004 0.000 0.961 616 S CA -0.475 57.717 58.200 -0.014 0.000 0.953 616 S CB -0.621 62.576 63.200 -0.005 0.000 0.800 616 S HN 0.448 nan 8.310 nan 0.000 0.471 617 L N 3.227 124.439 121.223 -0.019 0.000 2.461 617 L HA 0.262 4.602 4.340 0.000 0.000 0.272 617 L C 0.964 177.847 176.870 0.021 0.000 1.197 617 L CA -0.310 54.535 54.840 0.008 0.000 0.836 617 L CB 0.667 42.702 42.059 -0.040 0.000 1.105 617 L HN 0.417 nan 8.230 nan 0.000 0.477 618 S N 2.376 118.109 115.700 0.055 0.000 2.652 618 S HA 0.363 4.833 4.470 0.000 0.000 0.270 618 S C 1.034 175.679 174.600 0.075 0.000 1.243 618 S CA -0.911 57.323 58.200 0.057 0.000 0.999 618 S CB 1.056 64.295 63.200 0.064 0.000 0.973 618 S HN 0.551 nan 8.310 nan 0.000 0.544 619 L N 0.806 122.070 121.223 0.069 0.000 2.141 619 L HA -0.027 4.313 4.340 0.000 0.000 0.209 619 L C 2.969 179.906 176.870 0.112 0.000 1.094 619 L CA 1.342 56.233 54.840 0.085 0.000 0.763 619 L CB -1.115 40.986 42.059 0.070 0.000 0.908 619 L HN 0.924 nan 8.230 nan 0.000 0.437 620 A N 0.317 123.197 122.820 0.101 0.000 1.972 620 A HA -0.122 4.198 4.320 0.000 0.000 0.219 620 A C 2.540 180.214 177.584 0.150 0.000 1.169 620 A CA 1.684 53.787 52.037 0.110 0.000 0.635 620 A CB -0.471 18.582 19.000 0.087 0.000 0.810 620 A HN 0.400 nan 8.150 nan 0.000 0.446 621 A N -0.681 122.242 122.820 0.172 0.000 1.897 621 A HA 0.084 4.404 4.320 0.000 0.000 0.215 621 A C 2.162 179.956 177.584 0.351 0.000 1.181 621 A CA 1.519 53.704 52.037 0.246 0.000 0.620 621 A CB -0.781 18.365 19.000 0.243 0.000 0.821 621 A HN 0.359 nan 8.150 nan 0.000 0.443 622 V N 0.867 120.985 119.914 0.339 0.000 2.515 622 V HA -0.226 3.894 4.120 0.000 0.000 0.250 622 V C 2.356 178.700 176.094 0.417 0.000 1.058 622 V CA 2.250 64.816 62.300 0.443 0.000 1.064 622 V CB -1.057 30.922 31.823 0.260 0.000 0.675 622 V HN 0.733 nan 8.190 nan 0.000 0.461 623 N N 0.505 119.367 118.700 0.270 0.000 2.216 623 N HA -0.069 4.671 4.740 0.000 0.000 0.183 623 N C 1.729 177.334 175.510 0.159 0.000 1.017 623 N CA 1.288 54.462 53.050 0.208 0.000 0.861 623 N CB -0.241 38.338 38.487 0.153 0.000 0.986 623 N HN 0.386 nan 8.380 nan 0.000 0.428 624 A N -0.790 122.128 122.820 0.164 0.000 1.972 624 A HA -0.109 4.211 4.320 0.000 0.000 0.219 624 A C 2.008 179.559 177.584 -0.054 0.000 1.169 624 A CA 1.163 53.266 52.037 0.111 0.000 0.635 624 A CB -1.145 17.969 19.000 0.190 0.000 0.810 624 A HN 0.683 nan 8.150 nan 0.000 0.446 625 W N 1.045 122.170 121.300 -0.291 0.000 2.407 625 W HA -0.102 4.558 4.660 0.000 0.000 0.305 625 W C 2.171 178.446 176.519 -0.407 0.000 1.196 625 W CA 1.826 58.751 57.345 -0.699 0.000 1.311 625 W CB -0.142 29.006 29.460 -0.520 0.000 1.135 625 W HN 0.270 nan 8.180 nan 0.000 0.514 626 K N 0.317 120.585 120.400 -0.220 0.000 2.001 626 K HA -0.236 4.084 4.320 0.000 0.000 0.214 626 K C 1.736 178.103 176.600 -0.388 0.000 1.050 626 K CA 2.623 58.694 56.287 -0.359 0.000 0.934 626 K CB -0.816 31.743 32.500 0.098 0.000 0.718 626 K HN 0.128 nan 8.250 nan 0.000 0.443 627 V N 1.572 121.401 119.914 -0.141 0.000 2.324 627 V HA -0.283 3.837 4.120 0.000 0.000 0.250 627 V C 2.607 178.574 176.094 -0.213 0.000 1.060 627 V CA 2.137 64.409 62.300 -0.047 0.000 1.042 627 V CB -0.890 30.967 31.823 0.058 0.000 0.650 627 V HN 0.586 nan 8.190 nan 0.000 0.450 628 A N -0.414 122.211 122.820 -0.326 0.000 1.969 628 A HA 0.011 4.331 4.320 0.000 0.000 0.218 628 A C 2.371 179.656 177.584 -0.498 0.000 1.169 628 A CA 1.835 53.677 52.037 -0.326 0.000 0.635 628 A CB -0.575 18.262 19.000 -0.272 0.000 0.810 628 A HN 0.565 nan 8.150 nan 0.000 0.445 629 A N -0.168 122.117 122.820 -0.892 0.000 1.897 629 A HA 0.290 4.610 4.320 0.000 0.000 0.215 629 A C 2.483 179.527 177.584 -0.900 0.000 1.181 629 A CA 1.692 53.021 52.037 -1.179 0.000 0.620 629 A CB -0.953 16.649 19.000 -2.331 0.000 0.821 629 A HN 0.919 nan 8.150 nan 0.000 0.443 630 A N 0.198 122.578 122.820 -0.732 0.000 1.858 630 A HA -0.205 4.115 4.320 0.000 0.000 0.216 630 A C 1.901 179.292 177.584 -0.320 0.000 1.190 630 A CA 1.731 53.575 52.037 -0.322 0.000 0.617 630 A CB -0.684 17.970 19.000 -0.576 0.000 0.827 630 A HN 0.609 nan 8.150 nan 0.000 0.443 631 E N -0.454 119.566 120.200 -0.300 0.000 2.118 631 E HA -0.163 4.187 4.350 0.000 0.000 0.195 631 E C 2.266 178.773 176.600 -0.154 0.000 0.992 631 E CA 1.206 57.510 56.400 -0.161 0.000 0.804 631 E CB -0.190 29.460 29.700 -0.083 0.000 0.741 631 E HN 0.623 nan 8.360 nan 0.000 0.458 632 S N 0.458 116.045 115.700 -0.188 0.000 2.368 632 S HA -0.162 4.308 4.470 0.000 0.000 0.225 632 S C 2.097 176.622 174.600 -0.125 0.000 1.030 632 S CA 1.177 59.304 58.200 -0.120 0.000 0.999 632 S CB -0.114 63.017 63.200 -0.115 0.000 0.844 632 S HN 0.324 nan 8.310 nan 0.000 0.459 633 A N 2.463 125.118 122.820 -0.276 0.000 1.855 633 A HA 0.032 4.352 4.320 0.000 0.000 0.215 633 A C 2.209 179.445 177.584 -0.581 0.000 1.191 633 A CA 1.510 53.130 52.037 -0.695 0.000 0.613 633 A CB -1.025 16.964 19.000 -1.684 0.000 0.829 633 A HN 0.865 nan 8.150 nan 0.000 0.442 634 I N -2.986 117.311 120.570 -0.454 0.000 2.916 634 I HA -0.055 4.115 4.170 0.000 0.000 0.267 634 I C 1.993 178.068 176.117 -0.071 0.000 1.263 634 I CA 1.727 62.919 61.300 -0.180 0.000 1.471 634 I CB -0.199 37.801 38.000 -0.001 0.000 1.089 634 I HN 0.257 nan 8.210 nan 0.000 0.468 635 S N 1.184 116.841 115.700 -0.071 0.000 2.427 635 S HA 0.041 4.511 4.470 0.000 0.000 0.224 635 S C 1.813 176.429 174.600 0.026 0.000 1.047 635 S CA 0.277 58.472 58.200 -0.008 0.000 0.953 635 S CB -0.189 63.005 63.200 -0.011 0.000 0.824 635 S HN 0.478 nan 8.310 nan 0.000 0.502 636 L N 1.845 123.088 121.223 0.034 0.000 2.083 636 L HA -0.012 4.328 4.340 0.000 0.000 0.209 636 L C 2.343 179.333 176.870 0.199 0.000 1.083 636 L CA 2.003 56.914 54.840 0.118 0.000 0.752 636 L CB -1.010 41.124 42.059 0.126 0.000 0.899 636 L HN 0.286 nan 8.230 nan 0.000 0.433 637 T N -0.569 114.061 114.554 0.127 0.000 2.746 637 T HA -0.157 4.193 4.350 0.000 0.000 0.267 637 T C 1.956 176.685 174.700 0.049 0.000 1.039 637 T CA 1.379 63.481 62.100 0.004 0.000 1.142 637 T CB -0.210 68.543 68.868 -0.193 0.000 0.866 637 T HN 0.354 nan 8.240 nan 0.000 0.444 638 R N 0.704 121.237 120.500 0.055 0.000 2.115 638 R HA -0.027 4.313 4.340 0.000 0.000 0.230 638 R C 2.574 178.942 176.300 0.115 0.000 1.111 638 R CA 0.997 57.147 56.100 0.083 0.000 0.976 638 R CB -0.227 30.121 30.300 0.080 0.000 0.870 638 R HN 0.325 nan 8.270 nan 0.000 0.445 639 Q N 0.315 120.181 119.800 0.110 0.000 2.049 639 Q HA -0.045 4.295 4.340 0.000 0.000 0.198 639 Q C 2.246 178.331 176.000 0.142 0.000 0.971 639 Q CA 1.096 56.969 55.803 0.118 0.000 0.833 639 Q CB -0.301 28.495 28.738 0.097 0.000 0.896 639 Q HN 0.063 nan 8.270 nan 0.000 0.434 640 V N 0.802 120.809 119.914 0.155 0.000 2.287 640 V HA -0.317 3.803 4.120 0.000 0.000 0.248 640 V C 2.211 178.410 176.094 0.175 0.000 1.053 640 V CA 2.051 64.453 62.300 0.170 0.000 1.027 640 V CB -0.484 31.464 31.823 0.208 0.000 0.646 640 V HN 0.328 nan 8.190 nan 0.000 0.447 641 R N -0.194 120.406 120.500 0.167 0.000 2.080 641 R HA -0.242 4.098 4.340 0.000 0.000 0.236 641 R C 2.393 178.908 176.300 0.359 0.000 1.137 641 R CA 1.909 58.146 56.100 0.228 0.000 0.943 641 R CB -0.470 29.966 30.300 0.227 0.000 0.846 641 R HN 0.458 nan 8.270 nan 0.000 0.431 642 E N 0.288 120.668 120.200 0.299 0.000 2.097 642 E HA -0.168 4.182 4.350 0.000 0.000 0.196 642 E C 1.735 178.484 176.600 0.248 0.000 1.000 642 E CA 2.104 58.680 56.400 0.294 0.000 0.804 642 E CB -0.229 29.593 29.700 0.203 0.000 0.740 642 E HN 0.243 nan 8.360 nan 0.000 0.454 643 T N 0.022 114.692 114.554 0.194 0.000 2.821 643 T HA -0.110 4.240 4.350 0.000 0.000 0.267 643 T C 1.495 176.267 174.700 0.119 0.000 1.046 643 T CA 1.144 63.328 62.100 0.141 0.000 1.139 643 T CB -0.491 68.452 68.868 0.126 0.000 0.871 643 T HN 0.260 nan 8.240 nan 0.000 0.454 644 F N 0.586 120.529 119.950 -0.011 0.000 2.084 644 F HA -0.022 4.505 4.527 0.000 0.000 0.296 644 F C 1.326 177.019 175.800 -0.178 0.000 1.111 644 F CA 0.951 58.852 58.000 -0.165 0.000 1.224 644 F CB -0.434 38.350 39.000 -0.359 0.000 0.991 644 F HN 0.179 nan 8.300 nan 0.000 0.471 645 W N -0.126 121.233 121.300 0.099 0.000 3.096 645 W HA 0.085 4.745 4.660 0.000 0.000 0.241 645 W C 2.422 178.921 176.519 -0.033 0.000 1.316 645 W CA 0.532 57.879 57.345 0.005 0.000 1.520 645 W CB -0.332 29.215 29.460 0.146 0.000 1.128 645 W HN 0.050 nan 8.180 nan 0.000 0.707 646 S N -0.411 115.353 115.700 0.107 0.000 2.527 646 S HA 0.360 4.830 4.470 0.000 0.000 0.227 646 S C 1.389 175.986 174.600 -0.005 0.000 1.059 646 S CA 0.289 58.534 58.200 0.076 0.000 0.919 646 S CB -0.408 62.844 63.200 0.085 0.000 0.805 646 S HN -0.008 nan 8.310 nan 0.000 0.500 647 A N 1.362 124.129 122.820 -0.087 0.000 2.310 647 A HA 0.749 5.069 4.320 0.000 0.000 0.260 647 A C 0.274 177.777 177.584 -0.135 0.000 1.112 647 A CA 0.117 52.087 52.037 -0.112 0.000 0.804 647 A CB -0.113 18.794 19.000 -0.154 0.000 1.081 647 A HN 0.794 nan 8.150 nan 0.000 0.499 648 A N -0.457 122.304 122.820 -0.099 0.000 2.337 648 A HA 0.561 4.881 4.320 0.000 0.000 0.329 648 A C 1.256 178.792 177.584 -0.080 0.000 1.146 648 A CA 0.305 52.298 52.037 -0.074 0.000 0.800 648 A CB 0.883 19.865 19.000 -0.029 0.000 1.220 648 A HN 1.530 nan 8.150 nan 0.000 0.472 649 S N 1.029 116.690 115.700 -0.064 0.000 2.434 649 S HA -0.294 4.176 4.470 0.000 0.000 0.250 649 S C 2.022 176.656 174.600 0.055 0.000 1.102 649 S CA 3.267 61.466 58.200 -0.001 0.000 1.104 649 S CB -0.724 62.483 63.200 0.011 0.000 0.957 649 S HN 1.401 nan 8.310 nan 0.000 0.456 650 T N -2.094 112.477 114.554 0.029 0.000 2.897 650 T HA 0.032 4.382 4.350 0.000 0.000 0.271 650 T C 1.389 176.101 174.700 0.019 0.000 1.084 650 T CA 1.557 63.679 62.100 0.037 0.000 1.123 650 T CB -0.322 68.558 68.868 0.020 0.000 0.865 650 T HN 0.314 nan 8.240 nan 0.000 0.496 651 S N 0.855 116.550 115.700 -0.009 0.000 2.651 651 S HA 0.416 4.886 4.470 0.000 0.000 0.246 651 S C 0.420 174.997 174.600 -0.038 0.000 1.039 651 S CA -0.568 57.618 58.200 -0.024 0.000 1.013 651 S CB 0.354 63.537 63.200 -0.029 0.000 0.861 651 S HN 0.579 nan 8.310 nan 0.000 0.485 652 S N 3.442 119.128 115.700 -0.023 0.000 2.568 652 S HA 0.127 4.597 4.470 0.000 0.000 0.282 652 S C -1.116 173.507 174.600 0.038 0.000 1.338 652 S CA -1.013 57.185 58.200 -0.003 0.000 1.045 652 S CB 0.687 63.955 63.200 0.112 0.000 0.873 652 S HN 0.201 nan 8.310 nan 0.000 0.516 653 P HA 0.015 nan 4.420 nan 0.000 0.226 653 P C 1.090 178.452 177.300 0.104 0.000 1.153 653 P CA 0.993 64.167 63.100 0.123 0.000 0.777 653 P CB -0.155 31.702 31.700 0.261 0.000 0.794 654 A N 0.744 123.638 122.820 0.123 0.000 1.933 654 A HA -0.129 4.191 4.320 0.000 0.000 0.218 654 A C 2.282 179.809 177.584 -0.094 0.000 1.175 654 A CA 1.170 53.254 52.037 0.078 0.000 0.628 654 A CB -1.616 17.291 19.000 -0.156 0.000 0.814 654 A HN 0.163 nan 8.150 nan 0.000 0.444 655 L N -0.138 120.969 121.223 -0.193 0.000 2.450 655 L HA -0.119 4.222 4.340 0.000 0.000 0.224 655 L C 2.195 178.945 176.870 -0.201 0.000 1.149 655 L CA 1.028 55.756 54.840 -0.187 0.000 0.816 655 L CB -0.221 41.763 42.059 -0.125 0.000 0.932 655 L HN 0.281 nan 8.230 nan 0.000 0.449 656 S N -1.747 113.757 115.700 -0.327 0.000 2.528 656 S HA 0.027 4.497 4.470 0.000 0.000 0.219 656 S C 1.134 175.310 174.600 -0.707 0.000 0.985 656 S CA 0.380 58.254 58.200 -0.544 0.000 0.914 656 S CB 0.078 62.831 63.200 -0.746 0.000 0.776 656 S HN 0.417 nan 8.310 nan 0.000 0.526 657 Y N -0.136 119.999 120.300 -0.275 0.000 2.526 657 Y HA 0.444 4.994 4.550 0.000 0.000 0.265 657 Y C 0.375 176.041 175.900 -0.389 0.000 1.092 657 Y CA -1.020 56.754 58.100 -0.543 0.000 1.277 657 Y CB -0.220 37.432 38.460 -1.347 0.000 1.228 657 Y HN 0.045 nan 8.280 nan 0.000 0.507 658 L N 1.870 123.094 121.223 0.000 0.000 2.525 658 L HA 0.033 4.373 4.340 0.000 0.000 0.278 658 L C 0.969 177.885 176.870 0.078 0.000 1.218 658 L CA -0.197 54.734 54.840 0.152 0.000 0.878 658 L CB 0.263 42.367 42.059 0.074 0.000 1.127 658 L HN 0.252 nan 8.230 nan 0.000 0.492 659 S N 4.424 120.196 115.700 0.120 0.000 2.576 659 S HA 0.197 4.667 4.470 0.000 0.000 0.272 659 S C -1.693 172.938 174.600 0.052 0.000 1.352 659 S CA -0.752 57.499 58.200 0.086 0.000 1.021 659 S CB 0.480 63.743 63.200 0.104 0.000 0.887 659 S HN 0.574 nan 8.310 nan 0.000 0.542 660 P HA -0.116 nan 4.420 nan 0.000 0.216 660 P C 1.378 178.696 177.300 0.031 0.000 1.153 660 P CA 1.481 64.595 63.100 0.023 0.000 0.858 660 P CB 0.050 31.759 31.700 0.016 0.000 0.789 661 R N -0.981 119.538 120.500 0.033 0.000 2.062 661 R HA -0.024 4.316 4.340 0.000 0.000 0.226 661 R C 2.374 178.698 176.300 0.039 0.000 1.125 661 R CA 1.994 58.111 56.100 0.027 0.000 0.966 661 R CB -1.804 28.505 30.300 0.014 0.000 0.861 661 R HN 0.282 nan 8.270 nan 0.000 0.433 662 T N -0.781 113.804 114.554 0.051 0.000 2.929 662 T HA -0.209 4.141 4.350 0.000 0.000 0.271 662 T C 1.919 176.682 174.700 0.106 0.000 1.085 662 T CA 1.085 63.225 62.100 0.068 0.000 1.125 662 T CB -0.150 68.763 68.868 0.075 0.000 0.874 662 T HN 0.244 nan 8.240 nan 0.000 0.494 663 Q N 0.515 120.371 119.800 0.092 0.000 2.226 663 Q HA -0.028 4.312 4.340 0.000 0.000 0.204 663 Q C 2.134 178.225 176.000 0.152 0.000 0.975 663 Q CA 1.121 56.987 55.803 0.106 0.000 0.866 663 Q CB -0.415 28.352 28.738 0.049 0.000 0.915 663 Q HN 0.675 nan 8.270 nan 0.000 0.440 664 I N 0.086 120.723 120.570 0.111 0.000 2.394 664 I HA -0.248 3.922 4.170 0.000 0.000 0.251 664 I C 2.029 178.235 176.117 0.150 0.000 1.136 664 I CA 0.451 61.816 61.300 0.108 0.000 1.425 664 I CB -0.085 37.946 38.000 0.052 0.000 1.079 664 I HN 0.300 nan 8.210 nan 0.000 0.425 665 L N -0.335 120.976 121.223 0.148 0.000 2.209 665 L HA -0.140 4.200 4.340 0.000 0.000 0.207 665 L C 2.331 179.340 176.870 0.232 0.000 1.094 665 L CA 1.494 56.440 54.840 0.177 0.000 0.790 665 L CB -0.833 41.289 42.059 0.105 0.000 0.932 665 L HN 0.178 nan 8.230 nan 0.000 0.447 666 Y N 0.364 120.725 120.300 0.103 0.000 2.097 666 Y HA -0.299 4.251 4.550 0.000 0.000 0.282 666 Y C 2.423 178.379 175.900 0.094 0.000 1.152 666 Y CA 2.315 60.468 58.100 0.087 0.000 1.136 666 Y CB -0.429 38.076 38.460 0.075 0.000 0.975 666 Y HN 0.222 nan 8.280 nan 0.000 0.498 667 A N -0.172 122.830 122.820 0.304 0.000 1.902 667 A HA -0.225 4.095 4.320 0.000 0.000 0.217 667 A C 2.168 179.822 177.584 0.116 0.000 1.181 667 A CA 1.576 53.729 52.037 0.195 0.000 0.623 667 A CB -1.558 17.562 19.000 0.199 0.000 0.818 667 A HN 0.677 nan 8.150 nan 0.000 0.443 668 F N 0.829 120.795 119.950 0.026 0.000 2.095 668 F HA -0.175 4.352 4.527 0.000 0.000 0.298 668 F C 2.165 177.956 175.800 -0.015 0.000 1.104 668 F CA 2.169 60.175 58.000 0.009 0.000 1.232 668 F CB -0.326 38.683 39.000 0.015 0.000 0.987 668 F HN 0.033 nan 8.300 nan 0.000 0.475 669 V N 0.881 120.735 119.914 -0.100 0.000 2.407 669 V HA -0.168 3.952 4.120 0.000 0.000 0.245 669 V C 2.517 178.477 176.094 -0.224 0.000 1.041 669 V CA 1.836 64.009 62.300 -0.211 0.000 1.040 669 V CB -0.628 31.161 31.823 -0.056 0.000 0.671 669 V HN 0.243 nan 8.190 nan 0.000 0.455 670 R N -0.329 120.022 120.500 -0.248 0.000 2.153 670 R HA -0.038 4.302 4.340 0.000 0.000 0.218 670 R C 2.120 178.343 176.300 -0.129 0.000 1.072 670 R CA 0.888 56.850 56.100 -0.229 0.000 0.990 670 R CB -0.019 30.047 30.300 -0.391 0.000 0.889 670 R HN 0.500 nan 8.270 nan 0.000 0.452 671 E N 0.464 120.598 120.200 -0.109 0.000 2.134 671 E HA -0.014 4.336 4.350 0.000 0.000 0.194 671 E C 1.914 178.452 176.600 -0.103 0.000 0.937 671 E CA 0.710 57.069 56.400 -0.067 0.000 0.874 671 E CB -0.076 29.617 29.700 -0.011 0.000 0.853 671 E HN 0.323 nan 8.360 nan 0.000 0.471 672 E N 1.047 121.146 120.200 -0.168 0.000 2.047 672 E HA -0.042 4.308 4.350 0.000 0.000 0.191 672 E C 2.245 178.688 176.600 -0.262 0.000 0.987 672 E CA 0.730 57.005 56.400 -0.209 0.000 0.799 672 E CB -0.037 29.506 29.700 -0.263 0.000 0.752 672 E HN 0.138 nan 8.360 nan 0.000 0.449 673 L N -0.349 120.645 121.223 -0.380 0.000 2.270 673 L HA 0.094 4.434 4.340 0.000 0.000 0.210 673 L C 1.663 178.452 176.870 -0.136 0.000 1.104 673 L CA 0.651 55.330 54.840 -0.270 0.000 0.804 673 L CB -0.278 41.592 42.059 -0.316 0.000 0.937 673 L HN 0.376 nan 8.230 nan 0.000 0.450 674 G N 0.579 109.305 108.800 -0.123 0.000 2.159 674 G HA2 -0.272 3.688 3.960 0.000 0.000 0.256 674 G HA3 -0.272 3.688 3.960 0.000 0.000 0.256 674 G C 0.253 175.140 174.900 -0.022 0.000 0.977 674 G CA 0.304 45.368 45.100 -0.059 0.000 0.652 674 G HN 0.218 nan 8.290 nan 0.000 0.531 675 V N 1.034 120.935 119.914 -0.022 0.000 2.432 675 V HA 0.682 4.802 4.120 0.000 0.000 0.271 675 V C 0.312 176.418 176.094 0.020 0.000 1.046 675 V CA -0.598 61.730 62.300 0.047 0.000 0.945 675 V CB 0.981 32.873 31.823 0.115 0.000 0.992 675 V HN 0.246 nan 8.190 nan 0.000 0.471 676 K N 5.040 125.482 120.400 0.070 0.000 2.288 676 K HA 0.737 5.057 4.320 0.000 0.000 0.234 676 K C 0.151 176.830 176.600 0.133 0.000 1.037 676 K CA -0.210 56.121 56.287 0.074 0.000 0.914 676 K CB 1.574 34.144 32.500 0.115 0.000 1.197 676 K HN 0.833 nan 8.250 nan 0.000 0.471 677 A N 0.882 123.817 122.820 0.192 0.000 2.406 677 A HA 0.184 4.505 4.320 0.000 0.000 0.243 677 A C -0.002 177.852 177.584 0.450 0.000 1.082 677 A CA 0.058 52.264 52.037 0.283 0.000 0.786 677 A CB 0.182 19.362 19.000 0.300 0.000 1.029 677 A HN 0.567 nan 8.150 nan 0.000 0.495 678 R N 0.682 121.417 120.500 0.392 0.000 2.343 678 R HA 0.309 4.649 4.340 0.000 0.000 0.320 678 R C 0.858 177.202 176.300 0.074 0.000 0.956 678 R CA -0.583 55.619 56.100 0.170 0.000 0.836 678 R CB 0.822 31.074 30.300 -0.079 0.000 1.151 678 R HN 0.929 nan 8.270 nan 0.000 0.450 679 R N 2.053 122.373 120.500 -0.300 0.000 2.090 679 R HA 0.063 4.403 4.340 0.000 0.000 0.228 679 R C 0.017 176.124 176.300 -0.322 0.000 1.110 679 R CA 1.219 56.909 56.100 -0.684 0.000 0.973 679 R CB 0.248 29.813 30.300 -1.224 0.000 0.869 679 R HN 0.890 nan 8.270 nan 0.000 0.440 680 G N 0.043 108.720 108.800 -0.206 0.000 2.801 680 G HA2 -0.103 3.857 3.960 0.000 0.000 0.648 680 G HA3 -0.103 3.857 3.960 0.000 0.000 0.648 680 G C -0.865 174.016 174.900 -0.031 0.000 1.415 680 G CA -0.478 44.553 45.100 -0.114 0.000 0.887 680 G HN 0.058 nan 8.290 nan 0.000 0.627 681 D N 0.456 120.842 120.400 -0.024 0.000 2.077 681 D HA -0.105 4.535 4.640 0.000 0.000 0.193 681 D C 2.886 179.189 176.300 0.004 0.000 0.989 681 D CA 1.730 55.725 54.000 -0.007 0.000 0.831 681 D CB -0.201 40.601 40.800 0.002 0.000 0.979 681 D HN 0.351 nan 8.370 nan 0.000 0.449 682 V N 0.924 120.850 119.914 0.019 0.000 2.278 682 V HA -0.291 3.829 4.120 0.000 0.000 0.251 682 V C 2.247 178.351 176.094 0.016 0.000 1.062 682 V CA 1.756 64.067 62.300 0.018 0.000 1.038 682 V CB -0.620 31.221 31.823 0.030 0.000 0.646 682 V HN 0.138 nan 8.190 nan 0.000 0.447 683 F N 0.179 120.076 119.950 -0.089 0.000 2.126 683 F HA -0.172 4.355 4.527 0.000 0.000 0.299 683 F C 1.965 177.699 175.800 -0.109 0.000 1.096 683 F CA 1.728 59.666 58.000 -0.103 0.000 1.255 683 F CB -0.183 38.732 39.000 -0.140 0.000 0.997 683 F HN 0.048 nan 8.300 nan 0.000 0.479 684 L N -0.210 120.957 121.223 -0.093 0.000 2.478 684 L HA 0.133 4.474 4.340 0.000 0.000 0.223 684 L C 1.825 178.597 176.870 -0.163 0.000 1.140 684 L CA 0.660 55.402 54.840 -0.164 0.000 0.842 684 L CB -1.173 40.846 42.059 -0.067 0.000 0.953 684 L HN 0.423 nan 8.230 nan 0.000 0.452 685 G N 1.503 110.222 108.800 -0.135 0.000 2.179 685 G HA2 -0.315 3.645 3.960 0.000 0.000 0.257 685 G HA3 -0.315 3.645 3.960 0.000 0.000 0.257 685 G C 0.147 175.007 174.900 -0.066 0.000 1.010 685 G CA 0.934 45.972 45.100 -0.102 0.000 0.736 685 G HN 0.569 nan 8.290 nan 0.000 0.513 686 K N -1.397 118.971 120.400 -0.053 0.000 2.551 686 K HA 0.613 4.933 4.320 0.000 0.000 0.269 686 K C -0.767 175.820 176.600 -0.022 0.000 0.949 686 K CA -1.084 55.182 56.287 -0.035 0.000 0.849 686 K CB 1.293 33.772 32.500 -0.035 0.000 1.411 686 K HN 0.084 nan 8.250 nan 0.000 0.432 687 Q N 1.750 121.542 119.800 -0.012 0.000 2.322 687 Q HA 0.177 4.518 4.340 0.000 0.000 0.256 687 Q C -0.753 175.247 176.000 -0.001 0.000 0.960 687 Q CA -0.337 55.464 55.803 -0.004 0.000 0.934 687 Q CB 1.523 30.261 28.738 0.001 0.000 1.200 687 Q HN 0.477 nan 8.270 nan 0.000 0.435 688 E N 0.738 120.940 120.200 0.003 0.000 2.790 688 E HA 0.257 4.607 4.350 0.000 0.000 0.256 688 E C -0.169 176.442 176.600 0.019 0.000 1.246 688 E CA -0.777 55.629 56.400 0.010 0.000 1.041 688 E CB 0.823 30.531 29.700 0.013 0.000 1.272 688 E HN 0.448 nan 8.360 nan 0.000 0.603 689 V N -0.296 119.634 119.914 0.027 0.000 2.814 689 V HA 0.009 4.129 4.120 0.000 0.000 0.307 689 V C 0.464 176.579 176.094 0.034 0.000 1.089 689 V CA -0.394 61.924 62.300 0.029 0.000 1.212 689 V CB -0.112 31.733 31.823 0.037 0.000 0.912 689 V HN 0.771 nan 8.190 nan 0.000 0.497 690 T N 2.292 116.860 114.554 0.023 0.000 2.855 690 T HA 0.297 4.647 4.350 0.000 0.000 0.314 690 T C 1.146 175.855 174.700 0.016 0.000 1.077 690 T CA 0.254 62.367 62.100 0.021 0.000 1.095 690 T CB 0.473 69.345 68.868 0.007 0.000 0.987 690 T HN 0.582 nan 8.240 nan 0.000 0.546 691 I N 1.816 122.396 120.570 0.016 0.000 2.208 691 I HA -0.100 4.071 4.170 0.000 0.000 0.245 691 I C 2.856 178.872 176.117 -0.168 0.000 1.097 691 I CA 1.741 63.009 61.300 -0.053 0.000 1.363 691 I CB -1.046 36.953 38.000 -0.003 0.000 1.051 691 I HN 0.960 nan 8.210 nan 0.000 0.413 692 G N 0.168 108.913 108.800 -0.093 0.000 2.440 692 G HA2 -0.248 3.712 3.960 0.000 0.000 0.218 692 G HA3 -0.248 3.712 3.960 0.000 0.000 0.218 692 G C 1.744 176.606 174.900 -0.064 0.000 1.154 692 G CA 1.035 46.083 45.100 -0.086 0.000 0.767 692 G HN 0.387 nan 8.290 nan 0.000 0.552 693 S N 1.212 116.893 115.700 -0.032 0.000 2.370 693 S HA -0.164 4.306 4.470 0.000 0.000 0.226 693 S C 2.295 176.896 174.600 0.002 0.000 1.033 693 S CA 1.325 59.522 58.200 -0.006 0.000 1.011 693 S CB -0.295 62.911 63.200 0.010 0.000 0.852 693 S HN 0.457 nan 8.310 nan 0.000 0.457 694 N N 1.204 119.900 118.700 -0.006 0.000 2.135 694 N HA -0.019 4.721 4.740 0.000 0.000 0.186 694 N C 1.839 177.357 175.510 0.013 0.000 1.027 694 N CA 0.996 54.068 53.050 0.035 0.000 0.849 694 N CB -0.742 37.823 38.487 0.129 0.000 1.002 694 N HN 0.204 nan 8.380 nan 0.000 0.425 695 V N 1.607 121.448 119.914 -0.121 0.000 2.453 695 V HA -0.192 3.928 4.120 0.000 0.000 0.252 695 V C 2.210 178.332 176.094 0.047 0.000 1.068 695 V CA 1.512 63.770 62.300 -0.070 0.000 1.070 695 V CB -0.612 31.114 31.823 -0.162 0.000 0.664 695 V HN 0.276 nan 8.190 nan 0.000 0.461 696 S N -0.883 114.836 115.700 0.032 0.000 2.423 696 S HA -0.149 4.322 4.470 0.000 0.000 0.231 696 S C 1.949 176.639 174.600 0.151 0.000 1.014 696 S CA 1.100 59.359 58.200 0.099 0.000 0.965 696 S CB -0.183 63.045 63.200 0.047 0.000 0.785 696 S HN 0.612 nan 8.310 nan 0.000 0.495 697 K N 0.756 121.212 120.400 0.094 0.000 2.155 697 K HA 0.108 4.428 4.320 0.000 0.000 0.203 697 K C 1.836 178.485 176.600 0.082 0.000 1.052 697 K CA 0.864 57.194 56.287 0.072 0.000 0.948 697 K CB -0.182 32.342 32.500 0.040 0.000 0.728 697 K HN 0.339 nan 8.250 nan 0.000 0.448 698 I N -0.027 120.613 120.570 0.115 0.000 2.233 698 I HA -0.276 3.895 4.170 0.000 0.000 0.243 698 I C 2.313 178.519 176.117 0.148 0.000 1.093 698 I CA 0.984 62.365 61.300 0.134 0.000 1.380 698 I CB -0.306 37.793 38.000 0.165 0.000 1.067 698 I HN 0.110 nan 8.210 nan 0.000 0.413 699 Y N 2.149 122.476 120.300 0.044 0.000 2.069 699 Y HA -0.369 4.181 4.550 0.000 0.000 0.278 699 Y C 2.442 178.359 175.900 0.029 0.000 1.175 699 Y CA 2.163 60.277 58.100 0.024 0.000 1.134 699 Y CB -0.493 37.965 38.460 -0.004 0.000 0.965 699 Y HN 0.126 nan 8.280 nan 0.000 0.498 700 E N -0.122 120.053 120.200 -0.041 0.000 2.097 700 E HA -0.232 4.118 4.350 0.000 0.000 0.196 700 E C 2.317 178.864 176.600 -0.089 0.000 1.000 700 E CA 1.499 57.828 56.400 -0.117 0.000 0.804 700 E CB -0.478 29.238 29.700 0.026 0.000 0.740 700 E HN 0.596 nan 8.360 nan 0.000 0.454 701 A N 0.229 123.051 122.820 0.003 0.000 1.972 701 A HA -0.172 4.148 4.320 0.000 0.000 0.219 701 A C 2.101 179.713 177.584 0.046 0.000 1.169 701 A CA 1.160 53.244 52.037 0.079 0.000 0.635 701 A CB -0.480 18.631 19.000 0.186 0.000 0.810 701 A HN 0.238 nan 8.150 nan 0.000 0.446 702 I N -1.082 119.472 120.570 -0.028 0.000 2.277 702 I HA -0.135 4.035 4.170 0.000 0.000 0.243 702 I C 2.095 178.147 176.117 -0.109 0.000 1.094 702 I CA 0.861 62.130 61.300 -0.052 0.000 1.393 702 I CB -0.188 37.779 38.000 -0.054 0.000 1.078 702 I HN 0.069 nan 8.210 nan 0.000 0.417 703 K N 0.876 121.130 120.400 -0.243 0.000 2.283 703 K HA -0.069 4.251 4.320 0.000 0.000 0.202 703 K C 2.143 178.676 176.600 -0.113 0.000 1.048 703 K CA 1.508 57.657 56.287 -0.229 0.000 0.948 703 K CB -0.401 31.855 32.500 -0.405 0.000 0.742 703 K HN 0.411 nan 8.250 nan 0.000 0.458 704 S N -1.203 114.451 115.700 -0.077 0.000 2.501 704 S HA 0.107 4.577 4.470 0.000 0.000 0.220 704 S C 1.443 176.045 174.600 0.005 0.000 0.997 704 S CA 0.731 58.915 58.200 -0.027 0.000 0.919 704 S CB 0.203 63.398 63.200 -0.008 0.000 0.778 704 S HN 0.349 nan 8.310 nan 0.000 0.523 705 G N 1.866 110.674 108.800 0.013 0.000 2.176 705 G HA2 -0.329 3.631 3.960 0.000 0.000 0.253 705 G HA3 -0.329 3.631 3.960 0.000 0.000 0.253 705 G C 0.787 175.702 174.900 0.026 0.000 0.979 705 G CA 0.361 45.483 45.100 0.037 0.000 0.641 705 G HN 0.565 nan 8.290 nan 0.000 0.530 706 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