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 2vnc_1_A DATA FIRST_RESID 9 DATA SEQUENCE DRPLRPGDPY PLGSNWIEDD DGVNFSLFSE NAEKVELLLY SLTNQKYPKE DATA SEQUENCE IIEVKNKTGD IWHVFVPGLR PGQLYAYRVY GPYKPELGLR FNPNKVLIDP DATA SEQUENCE YAKAINGSVI WNDAVFGYKI GDQNQDLTYD ERDSGEYVPK SVVINPYFEW DATA SEQUENCE DDEDFIKGKK VPLKDTVIYE VHVKGFTKLR LDLPENIRGT YEGLASEQMI DATA SEQUENCE SYLKDLGITT VELMPVFHFI DQRFLTDKGL TNYWGYDPIN FFSPEcRYSS DATA SEQUENCE TGcLGGQVLS FKKMVNELHN AGIEVIIDVV YNHTAEGNHL GPTLSFRGID DATA SEQUENCE NTAYYMLQPD NKRYYLDFTG TGNTLNLSHP RVIQMVLDSL RYWVTEMHVD DATA SEQUENCE GFRFDLAAAL ARELYSVNML NTFFIALQQD PILSQVKLIA EPWDVGQGGY DATA SEQUENCE QVGNFPYQWA EWNGKYRDSI RRFWRGEALP YSEIANRLLG SPDIYLGNNK DATA SEQUENCE TPFASINYVT SHDGFTLEDL VSYNQKHNEA NGFNNQDGMN ENYSWNcGAE DATA SEQUENCE GPTNDQNVVI cREKQKRNFM ITLLVSQGTP MILGGDELSR TQRGNNNAFC DATA SEQUENCE QDNEITWFDW NLDERKSKFL EFVKKMIQFY RAHPAFRRER YFXXXXXXXX DATA SEQUENCE XXXDVTFYTL EGREVDEKTW SSPTQLVIFV LEGSVMDEIN MYGERIADDS DATA SEQUENCE FLIILNANPN NVKVKFPKGK WELVISSYLR EIKPEERIIE GEKELEIEGR DATA SEQUENCE TALVYRRIEL 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 9 D HA 0.000 nan 4.640 nan 0.000 0.175 9 D C 0.000 176.300 176.300 0.001 0.000 2.045 9 D CA 0.000 53.998 54.000 -0.004 0.000 0.868 9 D CB 0.000 40.797 40.800 -0.005 0.000 0.688 10 R N 1.470 121.970 120.500 0.001 0.000 2.441 10 R HA 0.319 4.659 4.340 -0.000 0.000 0.284 10 R C -1.836 174.478 176.300 0.023 0.000 1.070 10 R CA -1.049 55.056 56.100 0.008 0.000 1.047 10 R CB 0.515 30.814 30.300 -0.002 0.000 1.016 10 R HN -0.028 nan 8.270 nan 0.000 0.477 11 P HA 0.036 nan 4.420 nan 0.000 0.238 11 P C -0.369 176.985 177.300 0.090 0.000 1.714 11 P CA 0.226 63.359 63.100 0.056 0.000 0.908 11 P CB -0.091 31.645 31.700 0.060 0.000 1.893 12 L N 1.125 122.392 121.223 0.074 0.000 2.467 12 L HA 0.250 4.590 4.340 -0.000 0.000 0.270 12 L C 1.284 178.225 176.870 0.119 0.000 1.205 12 L CA -0.019 54.882 54.840 0.100 0.000 0.828 12 L CB 0.234 42.325 42.059 0.052 0.000 1.101 12 L HN 0.062 nan 8.230 nan 0.000 0.479 13 R N 1.611 122.217 120.500 0.178 0.000 2.837 13 R HA 0.311 4.651 4.340 -0.000 0.000 0.271 13 R C -1.945 174.420 176.300 0.109 0.000 0.993 13 R CA -1.958 54.218 56.100 0.127 0.000 0.931 13 R CB 1.283 31.652 30.300 0.116 0.000 1.206 13 R HN 0.199 nan 8.270 nan 0.000 0.474 14 P HA -0.191 nan 4.420 nan 0.000 0.216 14 P C 0.509 177.776 177.300 -0.054 0.000 1.154 14 P CA 2.096 65.147 63.100 -0.082 0.000 0.865 14 P CB 0.225 31.892 31.700 -0.056 0.000 0.789 15 G N -0.909 107.967 108.800 0.126 0.000 2.645 15 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.239 15 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.239 15 G C -1.095 174.038 174.900 0.389 0.000 1.331 15 G CA -0.151 45.104 45.100 0.258 0.000 0.890 15 G HN 0.166 nan 8.290 nan 0.000 0.572 16 D N 0.692 121.331 120.400 0.398 0.000 2.457 16 D HA 0.549 5.189 4.640 -0.000 0.000 0.240 16 D C -1.453 174.893 176.300 0.077 0.000 1.041 16 D CA -1.342 52.807 54.000 0.249 0.000 0.861 16 D CB 1.826 42.710 40.800 0.141 0.000 1.394 16 D HN 0.081 nan 8.370 nan 0.000 0.473 17 P HA -0.103 nan 4.420 nan 0.000 0.215 17 P C 0.107 177.379 177.300 -0.047 0.000 1.157 17 P CA 0.908 63.838 63.100 -0.283 0.000 0.863 17 P CB 0.129 31.668 31.700 -0.268 0.000 0.787 18 Y N 1.672 121.918 120.300 -0.090 0.000 2.299 18 Y HA 0.337 4.887 4.550 0.000 0.000 0.326 18 Y C -2.155 173.724 175.900 -0.035 0.000 1.164 18 Y CA -2.579 55.483 58.100 -0.062 0.000 1.234 18 Y CB 0.424 38.858 38.460 -0.043 0.000 1.219 18 Y HN -0.071 nan 8.280 nan 0.000 0.497 19 P HA 0.068 nan 4.420 nan 0.000 0.276 19 P C -1.022 175.962 177.300 -0.527 0.000 1.252 19 P CA -0.449 62.031 63.100 -1.032 0.000 0.802 19 P CB 1.058 32.218 31.700 -0.899 0.000 1.035 20 L N 0.550 121.395 121.223 -0.631 0.000 2.461 20 L HA 0.321 4.661 4.340 -0.000 0.000 0.272 20 L C 1.553 178.083 176.870 -0.567 0.000 1.197 20 L CA 1.729 56.137 54.840 -0.720 0.000 0.836 20 L CB -0.923 40.217 42.059 -1.533 0.000 1.105 20 L HN 0.956 nan 8.230 nan 0.000 0.477 21 G N 2.666 111.321 108.800 -0.242 0.000 2.587 21 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.212 21 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.212 21 G C -0.316 174.564 174.900 -0.034 0.000 1.327 21 G CA -0.145 44.954 45.100 -0.001 0.000 0.898 21 G HN 1.002 nan 8.290 nan 0.000 0.551 22 S N -0.209 115.439 115.700 -0.086 0.000 2.499 22 S HA 0.608 5.078 4.470 -0.000 0.000 0.279 22 S C -0.109 174.302 174.600 -0.314 0.000 1.219 22 S CA 0.156 58.092 58.200 -0.440 0.000 1.062 22 S CB 1.527 64.359 63.200 -0.613 0.000 0.978 22 S HN 1.109 nan 8.310 nan 0.000 0.489 23 N N 3.877 122.373 118.700 -0.339 0.000 2.504 23 N HA 0.127 4.867 4.740 -0.000 0.000 0.280 23 N C -1.106 174.388 175.510 -0.027 0.000 1.052 23 N CA -0.503 52.474 53.050 -0.121 0.000 0.887 23 N CB 1.013 39.448 38.487 -0.086 0.000 1.323 23 N HN 0.940 nan 8.380 nan 0.000 0.509 24 W N 7.601 128.832 121.300 -0.115 0.000 2.419 24 W HA 0.358 5.018 4.660 0.000 0.000 0.312 24 W C -1.610 174.926 176.519 0.028 0.000 1.323 24 W CA -0.261 57.054 57.345 -0.049 0.000 1.293 24 W CB 0.295 29.731 29.460 -0.040 0.000 1.324 24 W HN 0.366 nan 8.180 nan 0.000 0.512 25 I N 6.813 127.120 120.570 -0.439 0.000 2.321 25 I HA 0.030 4.200 4.170 -0.000 0.000 0.291 25 I C 1.518 176.987 176.117 -1.081 0.000 0.998 25 I CA -0.405 60.553 61.300 -0.571 0.000 1.227 25 I CB 1.696 39.576 38.000 -0.201 0.000 1.368 25 I HN 0.451 nan 8.210 nan 0.000 0.466 26 E N 3.531 123.112 120.200 -1.032 0.000 2.033 26 E HA -0.217 4.133 4.350 -0.000 0.000 0.199 26 E C 1.161 177.511 176.600 -0.416 0.000 1.011 26 E CA 1.825 57.763 56.400 -0.771 0.000 0.815 26 E CB 0.085 29.584 29.700 -0.334 0.000 0.755 26 E HN 0.659 nan 8.360 nan 0.000 0.451 27 D N 0.974 121.206 120.400 -0.280 0.000 2.092 27 D HA -0.131 4.509 4.640 -0.000 0.000 0.193 27 D C 1.221 177.439 176.300 -0.136 0.000 0.994 27 D CA 1.147 55.048 54.000 -0.164 0.000 0.828 27 D CB -0.320 40.398 40.800 -0.137 0.000 0.963 27 D HN 0.197 nan 8.370 nan 0.000 0.450 28 D N 0.362 120.665 120.400 -0.160 0.000 2.336 28 D HA -0.044 4.596 4.640 -0.000 0.000 0.229 28 D C -0.244 176.102 176.300 0.077 0.000 1.061 28 D CA 0.200 54.124 54.000 -0.127 0.000 0.875 28 D CB -0.146 40.424 40.800 -0.383 0.000 0.904 28 D HN 0.186 nan 8.370 nan 0.000 0.525 29 D N 0.257 120.670 120.400 0.022 0.000 3.038 29 D HA -0.103 4.537 4.640 -0.000 0.000 0.229 29 D C 0.211 176.696 176.300 0.307 0.000 1.182 29 D CA 1.194 55.272 54.000 0.129 0.000 0.852 29 D CB -0.808 40.073 40.800 0.134 0.000 0.932 29 D HN 0.446 nan 8.370 nan 0.000 0.406 30 G N -1.131 107.870 108.800 0.336 0.000 2.324 30 G HA2 0.438 4.398 3.960 -0.000 0.000 0.293 30 G HA3 0.438 4.398 3.960 -0.000 0.000 0.293 30 G C -1.436 173.547 174.900 0.140 0.000 1.297 30 G CA -0.267 44.966 45.100 0.222 0.000 0.853 30 G HN 0.766 nan 8.290 nan 0.000 0.535 31 V N 0.690 120.442 119.914 -0.272 0.000 2.483 31 V HA 0.498 4.618 4.120 -0.000 0.000 0.297 31 V C 0.055 175.942 176.094 -0.347 0.000 1.027 31 V CA -1.040 61.136 62.300 -0.207 0.000 0.855 31 V CB 1.444 33.101 31.823 -0.278 0.000 0.995 31 V HN 0.792 nan 8.190 nan 0.000 0.424 32 N N 3.320 122.002 118.700 -0.030 0.000 2.475 32 N HA 0.386 5.126 4.740 -0.000 0.000 0.267 32 N C -1.259 174.135 175.510 -0.193 0.000 1.169 32 N CA 0.154 53.275 53.050 0.119 0.000 0.947 32 N CB 0.304 38.926 38.487 0.226 0.000 1.061 32 N HN 0.457 nan 8.380 nan 0.000 0.466 33 F N 1.654 121.647 119.950 0.071 0.000 2.444 33 F HA 0.428 4.955 4.527 -0.000 0.000 0.342 33 F C 0.195 176.123 175.800 0.213 0.000 1.121 33 F CA -0.571 57.483 58.000 0.089 0.000 0.997 33 F CB 1.567 40.592 39.000 0.041 0.000 1.130 33 F HN 0.404 nan 8.300 nan 0.000 0.454 34 S N 3.832 119.736 115.700 0.341 0.000 2.548 34 S HA 0.829 5.299 4.470 -0.000 0.000 0.276 34 S C -1.631 173.112 174.600 0.238 0.000 1.129 34 S CA -0.770 57.609 58.200 0.297 0.000 0.931 34 S CB 1.977 65.275 63.200 0.163 0.000 1.068 34 S HN 0.613 nan 8.310 nan 0.000 0.480 35 L N 2.840 124.199 121.223 0.226 0.000 2.438 35 L HA 0.706 5.046 4.340 -0.000 0.000 0.270 35 L C -1.198 175.828 176.870 0.261 0.000 0.972 35 L CA -0.769 54.142 54.840 0.118 0.000 0.831 35 L CB 1.730 43.603 42.059 -0.310 0.000 1.273 35 L HN 0.845 nan 8.230 nan 0.000 0.405 36 F N 4.872 124.933 119.950 0.185 0.000 2.467 36 F HA 0.632 5.159 4.527 -0.000 0.000 0.362 36 F C -0.092 175.872 175.800 0.274 0.000 1.090 36 F CA 0.429 58.569 58.000 0.233 0.000 1.202 36 F CB 0.829 39.946 39.000 0.196 0.000 1.113 36 F HN 0.498 nan 8.300 nan 0.000 0.541 37 S N 4.814 120.208 115.700 -0.510 0.000 2.626 37 S HA 0.174 4.644 4.470 -0.000 0.000 0.275 37 S C 0.111 174.599 174.600 -0.186 0.000 1.175 37 S CA -0.537 57.323 58.200 -0.566 0.000 0.982 37 S CB 1.154 64.285 63.200 -0.114 0.000 1.093 37 S HN 0.952 nan 8.310 nan 0.000 0.472 38 E N 3.463 123.478 120.200 -0.308 0.000 2.166 38 E HA 0.126 4.476 4.350 -0.000 0.000 0.192 38 E C 0.824 177.515 176.600 0.153 0.000 0.967 38 E CA 0.670 57.093 56.400 0.039 0.000 0.840 38 E CB 0.093 29.885 29.700 0.153 0.000 0.795 38 E HN 0.786 nan 8.360 nan 0.000 0.470 39 N N 0.013 118.832 118.700 0.199 0.000 2.236 39 N HA 0.181 4.921 4.740 -0.000 0.000 0.196 39 N C -0.482 175.078 175.510 0.085 0.000 1.114 39 N CA -0.061 53.136 53.050 0.246 0.000 0.859 39 N CB 1.027 39.753 38.487 0.400 0.000 0.982 39 N HN 0.049 nan 8.380 nan 0.000 0.493 40 A N 0.932 123.800 122.820 0.081 0.000 2.462 40 A HA 0.072 4.392 4.320 -0.000 0.000 0.243 40 A C 1.065 178.653 177.584 0.008 0.000 1.076 40 A CA -0.046 51.867 52.037 -0.206 0.000 0.773 40 A CB 0.452 19.342 19.000 -0.184 0.000 1.010 40 A HN 0.178 nan 8.150 nan 0.000 0.493 41 E N 0.783 120.899 120.200 -0.140 0.000 2.170 41 E HA 0.016 4.366 4.350 -0.000 0.000 0.191 41 E C 0.386 177.066 176.600 0.133 0.000 0.981 41 E CA 0.919 57.338 56.400 0.031 0.000 0.830 41 E CB 0.173 29.853 29.700 -0.033 0.000 0.775 41 E HN 0.629 nan 8.360 nan 0.000 0.470 42 K N 0.069 120.417 120.400 -0.086 0.000 2.572 42 K HA 0.333 4.653 4.320 -0.000 0.000 0.263 42 K C -1.816 174.542 176.600 -0.402 0.000 0.932 42 K CA -0.313 55.857 56.287 -0.197 0.000 0.838 42 K CB 2.296 34.667 32.500 -0.216 0.000 1.366 42 K HN -0.198 nan 8.250 nan 0.000 0.425 43 V N 2.540 122.105 119.914 -0.582 0.000 2.680 43 V HA 0.454 4.574 4.120 -0.000 0.000 0.309 43 V C -0.993 175.089 176.094 -0.021 0.000 1.052 43 V CA -0.697 61.357 62.300 -0.409 0.000 0.908 43 V CB 1.908 33.221 31.823 -0.850 0.000 1.001 43 V HN 0.787 nan 8.190 nan 0.000 0.431 44 E N 2.744 123.033 120.200 0.149 0.000 2.218 44 E HA 0.448 4.798 4.350 -0.000 0.000 0.263 44 E C -1.393 175.302 176.600 0.157 0.000 0.879 44 E CA -0.814 55.679 56.400 0.155 0.000 0.762 44 E CB 2.360 32.173 29.700 0.188 0.000 1.166 44 E HN 0.505 nan 8.360 nan 0.000 0.415 45 L N 4.363 125.606 121.223 0.033 0.000 2.331 45 L HA 0.347 4.687 4.340 -0.000 0.000 0.278 45 L C -1.597 175.133 176.870 -0.234 0.000 1.106 45 L CA -0.234 54.477 54.840 -0.215 0.000 0.824 45 L CB 0.410 42.285 42.059 -0.307 0.000 1.142 45 L HN 0.406 nan 8.230 nan 0.000 0.443 46 L N 6.367 127.430 121.223 -0.267 0.000 2.325 46 L HA 0.537 4.877 4.340 -0.000 0.000 0.281 46 L C -0.721 176.017 176.870 -0.220 0.000 1.004 46 L CA -0.063 54.630 54.840 -0.246 0.000 0.823 46 L CB 1.639 43.593 42.059 -0.175 0.000 1.236 46 L HN 0.536 nan 8.230 nan 0.000 0.415 47 L N 4.042 125.093 121.223 -0.288 0.000 2.307 47 L HA 0.531 4.871 4.340 -0.000 0.000 0.284 47 L C -1.135 175.590 176.870 -0.242 0.000 1.023 47 L CA -0.644 54.097 54.840 -0.164 0.000 0.810 47 L CB 1.176 43.132 42.059 -0.173 0.000 1.231 47 L HN 0.397 nan 8.230 nan 0.000 0.423 48 Y N 0.604 120.885 120.300 -0.031 0.000 2.393 48 Y HA 0.363 4.913 4.550 -0.000 0.000 0.341 48 Y C 0.391 176.278 175.900 -0.023 0.000 0.988 48 Y CA -0.463 57.618 58.100 -0.032 0.000 1.078 48 Y CB 2.329 40.761 38.460 -0.047 0.000 1.203 48 Y HN 0.491 nan 8.280 nan 0.000 0.453 49 S N 3.817 119.589 115.700 0.120 0.000 2.565 49 S HA 0.117 4.587 4.470 -0.000 0.000 0.274 49 S C 1.112 175.754 174.600 0.069 0.000 1.309 49 S CA -0.669 57.571 58.200 0.067 0.000 1.043 49 S CB 0.803 64.022 63.200 0.032 0.000 0.939 49 S HN 0.635 nan 8.310 nan 0.000 0.504 50 L N 3.215 124.460 121.223 0.037 0.000 2.089 50 L HA -0.175 4.165 4.340 -0.000 0.000 0.213 50 L C 2.838 179.714 176.870 0.011 0.000 1.079 50 L CA 2.396 57.245 54.840 0.015 0.000 0.758 50 L CB -2.096 39.964 42.059 0.002 0.000 0.891 50 L HN 0.956 nan 8.230 nan 0.000 0.433 51 T N -3.534 111.029 114.554 0.017 0.000 2.777 51 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 51 T C 1.057 175.770 174.700 0.022 0.000 1.040 51 T CA 0.647 62.754 62.100 0.013 0.000 1.141 51 T CB -0.158 68.716 68.868 0.010 0.000 0.868 51 T HN 0.351 nan 8.240 nan 0.000 0.444 52 N N 0.137 118.866 118.700 0.049 0.000 2.448 52 N HA 0.272 5.012 4.740 -0.000 0.000 0.279 52 N C -0.448 175.136 175.510 0.122 0.000 1.025 52 N CA -0.388 52.707 53.050 0.075 0.000 0.898 52 N CB 1.665 40.212 38.487 0.099 0.000 1.303 52 N HN 0.030 nan 8.380 nan 0.000 0.495 53 Q N 1.615 121.434 119.800 0.032 0.000 2.282 53 Q HA 0.144 4.484 4.340 -0.000 0.000 0.206 53 Q C 1.473 177.404 176.000 -0.114 0.000 0.878 53 Q CA 0.486 56.238 55.803 -0.085 0.000 0.944 53 Q CB 0.407 29.020 28.738 -0.207 0.000 1.100 53 Q HN 0.549 nan 8.270 nan 0.000 0.509 54 K N -1.073 119.301 120.400 -0.042 0.000 2.211 54 K HA 0.054 4.374 4.320 -0.000 0.000 0.201 54 K C -0.633 175.756 176.600 -0.352 0.000 1.052 54 K CA 0.597 56.737 56.287 -0.246 0.000 0.973 54 K CB 0.469 32.817 32.500 -0.254 0.000 0.766 54 K HN 0.027 nan 8.250 nan 0.000 0.466 55 Y N 1.063 121.443 120.300 0.134 0.000 2.442 55 Y HA 0.339 4.889 4.550 -0.000 0.000 0.344 55 Y C -2.345 173.513 175.900 -0.068 0.000 0.976 55 Y CA -3.017 55.115 58.100 0.054 0.000 1.040 55 Y CB 1.601 40.052 38.460 -0.015 0.000 1.228 55 Y HN 0.035 nan 8.280 nan 0.000 0.451 56 P HA 0.008 nan 4.420 nan 0.000 0.269 56 P C 0.300 177.429 177.300 -0.285 0.000 1.209 56 P CA -0.139 62.519 63.100 -0.736 0.000 0.776 56 P CB 1.542 32.836 31.700 -0.677 0.000 0.876 57 K N 1.862 122.109 120.400 -0.254 0.000 1.973 57 K HA -0.130 4.190 4.320 -0.000 0.000 0.212 57 K C 0.698 177.211 176.600 -0.145 0.000 1.047 57 K CA 1.288 57.495 56.287 -0.134 0.000 0.937 57 K CB 0.110 32.557 32.500 -0.089 0.000 0.721 57 K HN 0.582 nan 8.250 nan 0.000 0.440 58 E N 0.184 120.276 120.200 -0.180 0.000 2.266 58 E HA 0.313 4.663 4.350 -0.000 0.000 0.268 58 E C -1.386 175.105 176.600 -0.181 0.000 0.879 58 E CA -0.610 55.699 56.400 -0.152 0.000 0.762 58 E CB 1.458 31.082 29.700 -0.126 0.000 1.199 58 E HN 0.200 nan 8.360 nan 0.000 0.422 59 I N 5.135 125.624 120.570 -0.136 0.000 2.378 59 I HA 0.375 4.545 4.170 -0.000 0.000 0.291 59 I C -0.506 175.554 176.117 -0.095 0.000 0.992 59 I CA -0.732 60.496 61.300 -0.120 0.000 1.154 59 I CB 1.422 39.375 38.000 -0.078 0.000 1.315 59 I HN 0.446 nan 8.210 nan 0.000 0.448 60 I N 5.729 126.238 120.570 -0.103 0.000 2.410 60 I HA 0.228 4.398 4.170 -0.000 0.000 0.286 60 I C 0.115 176.213 176.117 -0.031 0.000 1.009 60 I CA -0.524 60.730 61.300 -0.077 0.000 1.111 60 I CB 1.765 39.694 38.000 -0.118 0.000 1.262 60 I HN 0.592 nan 8.210 nan 0.000 0.443 61 E N 6.326 126.520 120.200 -0.010 0.000 2.257 61 E HA 0.204 4.554 4.350 -0.000 0.000 0.278 61 E C -0.957 175.682 176.600 0.064 0.000 1.049 61 E CA -0.507 55.903 56.400 0.017 0.000 0.876 61 E CB 0.962 30.659 29.700 -0.006 0.000 1.035 61 E HN 0.379 nan 8.360 nan 0.000 0.419 62 V N 6.526 126.513 119.914 0.122 0.000 2.405 62 V HA 0.063 4.183 4.120 -0.000 0.000 0.264 62 V C 0.917 177.199 176.094 0.314 0.000 1.048 62 V CA 0.169 62.600 62.300 0.218 0.000 0.966 62 V CB 0.866 32.874 31.823 0.309 0.000 1.015 62 V HN 0.765 nan 8.190 nan 0.000 0.477 63 K N 2.528 123.046 120.400 0.196 0.000 2.365 63 K HA 0.195 4.515 4.320 -0.000 0.000 0.195 63 K C 0.276 176.916 176.600 0.066 0.000 1.079 63 K CA 0.020 56.398 56.287 0.152 0.000 0.979 63 K CB 0.350 32.894 32.500 0.073 0.000 0.929 63 K HN 0.601 nan 8.250 nan 0.000 0.523 64 N N 1.715 120.415 118.700 0.001 0.000 2.518 64 N HA 0.130 4.870 4.740 -0.000 0.000 0.283 64 N C -1.060 174.408 175.510 -0.070 0.000 1.119 64 N CA -0.037 52.945 53.050 -0.114 0.000 0.983 64 N CB 1.098 39.400 38.487 -0.307 0.000 1.139 64 N HN -0.114 nan 8.380 nan 0.000 0.465 65 K N 1.000 121.381 120.400 -0.032 0.000 2.581 65 K HA 0.317 4.637 4.320 -0.000 0.000 0.249 65 K C -1.607 175.001 176.600 0.014 0.000 0.966 65 K CA -0.510 55.718 56.287 -0.099 0.000 0.811 65 K CB 1.126 33.270 32.500 -0.593 0.000 1.223 65 K HN 0.492 nan 8.250 nan 0.000 0.438 66 T N 2.439 117.023 114.554 0.051 0.000 2.821 66 T HA 0.443 4.793 4.350 -0.000 0.000 0.307 66 T C 0.530 175.199 174.700 -0.051 0.000 1.034 66 T CA 0.244 62.334 62.100 -0.016 0.000 0.953 66 T CB 1.257 70.086 68.868 -0.065 0.000 0.968 66 T HN 0.942 nan 8.240 nan 0.000 0.462 67 G N 4.732 113.504 108.800 -0.046 0.000 2.591 67 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.298 67 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.298 67 G C 0.466 175.347 174.900 -0.031 0.000 1.195 67 G CA 0.470 45.558 45.100 -0.021 0.000 0.989 67 G HN 0.808 nan 8.290 nan 0.000 0.551 68 D N 0.844 121.288 120.400 0.072 0.000 2.325 68 D HA 0.280 4.920 4.640 -0.000 0.000 0.234 68 D C 0.909 177.312 176.300 0.172 0.000 1.122 68 D CA 0.175 54.265 54.000 0.150 0.000 0.850 68 D CB -0.199 40.841 40.800 0.401 0.000 0.921 68 D HN 0.627 nan 8.370 nan 0.000 0.513 69 I N 0.710 121.315 120.570 0.058 0.000 2.382 69 I HA 0.284 4.454 4.170 -0.000 0.000 0.286 69 I C -0.716 175.463 176.117 0.104 0.000 1.002 69 I CA -1.073 60.307 61.300 0.133 0.000 1.135 69 I CB 0.844 38.893 38.000 0.082 0.000 1.288 69 I HN -0.183 nan 8.210 nan 0.000 0.448 70 W N 6.288 127.685 121.300 0.161 0.000 2.315 70 W HA 0.425 5.086 4.660 0.000 0.000 0.316 70 W C 0.324 177.048 176.519 0.342 0.000 1.211 70 W CA 0.102 57.583 57.345 0.227 0.000 1.201 70 W CB 0.441 29.972 29.460 0.117 0.000 1.184 70 W HN 0.466 nan 8.180 nan 0.000 0.544 71 H N -0.042 119.216 119.070 0.314 0.000 3.079 71 H HA 0.739 5.295 4.556 -0.000 0.000 0.356 71 H C -2.042 173.434 175.328 0.247 0.000 1.221 71 H CA -1.305 54.903 56.048 0.267 0.000 1.185 71 H CB 1.055 30.935 29.762 0.196 0.000 1.882 71 H HN 0.435 nan 8.280 nan 0.000 0.543 72 V N 3.451 123.517 119.914 0.253 0.000 2.891 72 V HA 0.419 4.539 4.120 -0.000 0.000 0.304 72 V C -1.542 174.722 176.094 0.284 0.000 1.171 72 V CA -0.856 61.544 62.300 0.168 0.000 0.943 72 V CB 2.264 34.156 31.823 0.115 0.000 1.037 72 V HN 0.730 nan 8.190 nan 0.000 0.427 73 F N 6.325 126.349 119.950 0.124 0.000 2.394 73 F HA 0.746 5.273 4.527 0.000 0.000 0.340 73 F C -0.320 175.561 175.800 0.136 0.000 1.105 73 F CA -0.084 58.002 58.000 0.144 0.000 1.124 73 F CB 1.587 40.639 39.000 0.087 0.000 1.145 73 F HN 0.317 nan 8.300 nan 0.000 0.505 74 V N 7.611 127.114 119.914 -0.684 0.000 2.398 74 V HA 0.293 4.413 4.120 -0.000 0.000 0.282 74 V C -2.237 173.507 176.094 -0.584 0.000 1.014 74 V CA -1.649 60.409 62.300 -0.404 0.000 0.838 74 V CB 1.051 32.769 31.823 -0.176 0.000 1.018 74 V HN 0.615 nan 8.190 nan 0.000 0.432 75 P HA 0.253 nan 4.420 nan 0.000 0.271 75 P C 0.972 178.278 177.300 0.011 0.000 1.216 75 P CA 1.219 64.316 63.100 -0.005 0.000 0.776 75 P CB 1.392 33.220 31.700 0.215 0.000 0.881 76 G N 1.595 110.445 108.800 0.083 0.000 2.241 76 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.244 76 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.244 76 G C 0.103 175.046 174.900 0.071 0.000 0.998 76 G CA -0.137 45.015 45.100 0.086 0.000 0.621 76 G HN 0.473 nan 8.290 nan 0.000 0.519 77 L N 1.058 122.310 121.223 0.049 0.000 2.452 77 L HA 0.637 4.977 4.340 -0.000 0.000 0.267 77 L C 1.093 178.004 176.870 0.069 0.000 1.188 77 L CA -0.182 54.685 54.840 0.045 0.000 0.821 77 L CB 0.734 42.832 42.059 0.065 0.000 1.102 77 L HN 0.620 nan 8.230 nan 0.000 0.470 78 R N 1.140 121.610 120.500 -0.049 0.000 2.774 78 R HA 0.584 4.924 4.340 -0.000 0.000 0.272 78 R C -2.935 173.158 176.300 -0.345 0.000 1.000 78 R CA -2.157 53.770 56.100 -0.289 0.000 0.906 78 R CB 0.765 30.852 30.300 -0.355 0.000 1.227 78 R HN 0.157 nan 8.270 nan 0.000 0.468 79 P HA -0.067 nan 4.420 nan 0.000 0.259 79 P C 0.518 177.685 177.300 -0.222 0.000 1.155 79 P CA 2.261 65.120 63.100 -0.402 0.000 0.759 79 P CB 0.414 31.787 31.700 -0.545 0.000 0.753 80 G N 1.698 110.434 108.800 -0.106 0.000 2.218 80 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.216 80 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.216 80 G C 0.190 175.086 174.900 -0.007 0.000 0.994 80 G CA -0.145 44.924 45.100 -0.052 0.000 0.637 80 G HN 0.672 nan 8.290 nan 0.000 0.505 81 Q N 1.561 121.363 119.800 0.003 0.000 2.286 81 Q HA 0.595 4.935 4.340 -0.000 0.000 0.267 81 Q C 0.531 176.628 176.000 0.162 0.000 1.028 81 Q CA -0.131 55.709 55.803 0.061 0.000 0.901 81 Q CB 0.254 29.026 28.738 0.056 0.000 1.183 81 Q HN 0.467 nan 8.270 nan 0.000 0.392 82 L N 6.336 127.653 121.223 0.158 0.000 2.397 82 L HA 0.395 4.735 4.340 -0.000 0.000 0.271 82 L C -0.179 176.900 176.870 0.349 0.000 1.148 82 L CA -0.499 54.463 54.840 0.204 0.000 0.825 82 L CB 0.070 42.190 42.059 0.102 0.000 1.117 82 L HN 0.809 nan 8.230 nan 0.000 0.456 83 Y N 1.336 121.676 120.300 0.067 0.000 2.705 83 Y HA 0.906 5.456 4.550 -0.000 0.000 0.332 83 Y C -0.864 175.034 175.900 -0.004 0.000 1.221 83 Y CA -1.031 57.096 58.100 0.044 0.000 1.059 83 Y CB 1.552 39.978 38.460 -0.057 0.000 1.298 83 Y HN 0.650 nan 8.280 nan 0.000 0.459 84 A N 0.374 123.112 122.820 -0.136 0.000 2.524 84 A HA 0.798 5.118 4.320 -0.000 0.000 0.303 84 A C -2.527 174.875 177.584 -0.303 0.000 1.195 84 A CA -0.976 50.913 52.037 -0.248 0.000 0.651 84 A CB 1.036 20.000 19.000 -0.059 0.000 1.323 84 A HN 0.823 nan 8.150 nan 0.000 0.479 85 Y N -0.480 119.813 120.300 -0.012 0.000 2.545 85 Y HA 0.686 5.236 4.550 0.000 0.000 0.348 85 Y C 0.233 176.116 175.900 -0.028 0.000 1.002 85 Y CA -0.550 57.549 58.100 -0.001 0.000 1.039 85 Y CB 2.451 40.910 38.460 -0.002 0.000 1.271 85 Y HN 0.633 nan 8.280 nan 0.000 0.467 86 R N 1.805 122.403 120.500 0.164 0.000 2.439 86 R HA 0.644 4.984 4.340 -0.000 0.000 0.310 86 R C -1.729 174.557 176.300 -0.023 0.000 0.955 86 R CA -0.810 55.298 56.100 0.014 0.000 0.853 86 R CB 1.970 32.255 30.300 -0.026 0.000 1.171 86 R HN 0.329 nan 8.270 nan 0.000 0.449 87 V N 4.012 123.873 119.914 -0.088 0.000 2.483 87 V HA 0.380 4.500 4.120 -0.000 0.000 0.295 87 V C -0.851 175.172 176.094 -0.117 0.000 1.035 87 V CA -0.781 61.493 62.300 -0.044 0.000 0.896 87 V CB 1.286 33.148 31.823 0.065 0.000 0.986 87 V HN 0.573 nan 8.190 nan 0.000 0.447 88 Y N 2.404 122.636 120.300 -0.113 0.000 2.341 88 Y HA 0.814 5.364 4.550 -0.000 0.000 0.337 88 Y C 0.720 176.342 175.900 -0.465 0.000 1.014 88 Y CA 0.087 58.101 58.100 -0.144 0.000 1.111 88 Y CB 2.146 40.533 38.460 -0.122 0.000 1.194 88 Y HN 0.857 nan 8.280 nan 0.000 0.462 89 G N 2.531 111.158 108.800 -0.288 0.000 2.489 89 G HA2 0.477 4.437 3.960 -0.000 0.000 0.305 89 G HA3 0.477 4.437 3.960 -0.000 0.000 0.305 89 G C -3.315 171.575 174.900 -0.017 0.000 1.311 89 G CA -1.346 43.398 45.100 -0.593 0.000 0.813 89 G HN 0.249 nan 8.290 nan 0.000 0.480 90 P HA 0.316 nan 4.420 nan 0.000 0.272 90 P C -1.414 176.110 177.300 0.375 0.000 1.223 90 P CA -0.053 63.166 63.100 0.199 0.000 0.784 90 P CB 0.538 32.333 31.700 0.158 0.000 0.923 91 Y N 1.658 122.033 120.300 0.126 0.000 2.863 91 Y HA 0.326 4.876 4.550 -0.000 0.000 0.348 91 Y C -0.341 175.602 175.900 0.071 0.000 1.028 91 Y CA -0.458 57.718 58.100 0.127 0.000 1.213 91 Y CB 0.558 39.044 38.460 0.042 0.000 1.120 91 Y HN 0.138 nan 8.280 nan 0.000 0.598 92 K N 6.345 126.706 120.400 -0.065 0.000 2.484 92 K HA 0.281 4.601 4.320 -0.000 0.000 0.226 92 K C -2.372 174.103 176.600 -0.210 0.000 1.031 92 K CA -1.790 54.441 56.287 -0.093 0.000 1.026 92 K CB 1.380 33.872 32.500 -0.014 0.000 1.412 92 K HN 0.308 nan 8.250 nan 0.000 0.492 93 P HA -0.199 nan 4.420 nan 0.000 0.219 93 P C 0.267 177.424 177.300 -0.238 0.000 1.146 93 P CA 1.225 64.124 63.100 -0.335 0.000 0.808 93 P CB 0.329 31.840 31.700 -0.314 0.000 0.779 94 E N -0.949 119.145 120.200 -0.178 0.000 2.268 94 E HA -0.080 4.270 4.350 -0.000 0.000 0.195 94 E C 1.174 177.699 176.600 -0.125 0.000 0.995 94 E CA 0.729 57.036 56.400 -0.155 0.000 0.836 94 E CB -0.900 28.741 29.700 -0.099 0.000 0.763 94 E HN 0.213 nan 8.360 nan 0.000 0.491 95 L N -0.321 120.842 121.223 -0.101 0.000 2.653 95 L HA 0.318 4.658 4.340 -0.000 0.000 0.231 95 L C 1.174 177.998 176.870 -0.076 0.000 1.153 95 L CA 0.533 55.334 54.840 -0.065 0.000 0.933 95 L CB -0.083 41.964 42.059 -0.021 0.000 1.175 95 L HN 0.268 nan 8.230 nan 0.000 0.473 96 G N 0.128 108.845 108.800 -0.138 0.000 2.203 96 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.263 96 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.263 96 G C 0.242 175.082 174.900 -0.101 0.000 1.012 96 G CA 0.130 45.138 45.100 -0.154 0.000 0.749 96 G HN 0.273 nan 8.290 nan 0.000 0.512 97 L N 0.132 121.298 121.223 -0.095 0.000 2.272 97 L HA 0.474 4.814 4.340 -0.000 0.000 0.284 97 L C 1.081 177.877 176.870 -0.123 0.000 1.045 97 L CA -0.596 54.229 54.840 -0.025 0.000 0.842 97 L CB 1.007 43.130 42.059 0.108 0.000 1.224 97 L HN 0.148 nan 8.230 nan 0.000 0.430 98 R N 3.317 123.732 120.500 -0.141 0.000 2.816 98 R HA 0.269 4.609 4.340 -0.000 0.000 0.382 98 R C -0.823 175.606 176.300 0.216 0.000 1.140 98 R CA -0.397 55.673 56.100 -0.049 0.000 1.050 98 R CB 0.279 30.588 30.300 0.016 0.000 1.396 98 R HN 0.326 nan 8.270 nan 0.000 0.583 99 F N 1.695 121.864 119.950 0.364 0.000 2.472 99 F HA 0.132 4.659 4.527 -0.000 0.000 0.364 99 F C 0.793 176.835 175.800 0.404 0.000 1.090 99 F CA 0.121 58.303 58.000 0.304 0.000 1.188 99 F CB 0.609 39.730 39.000 0.201 0.000 1.105 99 F HN 0.116 nan 8.300 nan 0.000 0.536 100 N N 5.444 124.379 118.700 0.392 0.000 2.648 100 N HA 0.280 5.020 4.740 -0.000 0.000 0.261 100 N C -2.290 173.227 175.510 0.013 0.000 1.138 100 N CA -1.696 51.482 53.050 0.213 0.000 0.804 100 N CB 1.345 39.848 38.487 0.027 0.000 1.237 100 N HN 0.144 nan 8.380 nan 0.000 0.532 101 P HA 0.027 nan 4.420 nan 0.000 0.237 101 P C 0.552 177.740 177.300 -0.187 0.000 1.178 101 P CA 0.437 63.331 63.100 -0.343 0.000 0.766 101 P CB 0.251 31.364 31.700 -0.978 0.000 0.876 102 N N 0.092 118.724 118.700 -0.113 0.000 2.289 102 N HA -0.094 4.646 4.740 -0.000 0.000 0.184 102 N C 0.424 175.882 175.510 -0.087 0.000 1.016 102 N CA 1.118 54.112 53.050 -0.094 0.000 0.872 102 N CB -0.235 38.171 38.487 -0.135 0.000 0.973 102 N HN 0.184 nan 8.380 nan 0.000 0.433 103 K N 0.860 121.206 120.400 -0.089 0.000 2.248 103 K HA 0.280 4.600 4.320 -0.000 0.000 0.281 103 K C -0.677 175.888 176.600 -0.057 0.000 1.054 103 K CA -0.248 55.998 56.287 -0.069 0.000 0.903 103 K CB 1.626 34.092 32.500 -0.057 0.000 1.077 103 K HN -0.241 nan 8.250 nan 0.000 0.474 104 V N 6.040 125.920 119.914 -0.058 0.000 2.427 104 V HA 0.181 4.301 4.120 -0.000 0.000 0.268 104 V C 0.089 176.139 176.094 -0.073 0.000 1.046 104 V CA -0.465 61.808 62.300 -0.045 0.000 0.970 104 V CB -0.138 31.661 31.823 -0.039 0.000 1.001 104 V HN 0.539 nan 8.190 nan 0.000 0.476 105 L N 5.682 126.880 121.223 -0.042 0.000 2.344 105 L HA 0.606 4.946 4.340 -0.000 0.000 0.272 105 L C -0.100 176.706 176.870 -0.107 0.000 1.035 105 L CA -0.705 54.091 54.840 -0.073 0.000 0.807 105 L CB 1.431 43.467 42.059 -0.039 0.000 1.237 105 L HN 0.380 nan 8.230 nan 0.000 0.442 106 I N 0.978 121.436 120.570 -0.186 0.000 2.416 106 I HA 0.040 4.210 4.170 -0.000 0.000 0.288 106 I C 0.149 176.152 176.117 -0.190 0.000 1.051 106 I CA -0.256 60.904 61.300 -0.234 0.000 1.375 106 I CB 0.831 38.658 38.000 -0.289 0.000 1.407 106 I HN 0.578 nan 8.210 nan 0.000 0.516 107 D N 9.108 129.443 120.400 -0.108 0.000 2.472 107 D HA 0.026 4.666 4.640 -0.000 0.000 0.248 107 D C -1.643 174.625 176.300 -0.052 0.000 1.174 107 D CA -1.548 52.487 54.000 0.059 0.000 0.883 107 D CB 1.196 42.119 40.800 0.205 0.000 1.149 107 D HN 0.214 nan 8.370 nan 0.000 0.488 108 P HA -0.122 nan 4.420 nan 0.000 0.219 108 P C 0.201 177.533 177.300 0.053 0.000 1.146 108 P CA 1.136 64.216 63.100 -0.034 0.000 0.808 108 P CB 0.011 31.820 31.700 0.181 0.000 0.779 109 Y N -1.373 118.908 120.300 -0.031 0.000 2.571 109 Y HA 0.431 4.981 4.550 0.000 0.000 0.275 109 Y C 0.972 176.708 175.900 -0.274 0.000 1.179 109 Y CA -0.760 57.133 58.100 -0.346 0.000 1.242 109 Y CB -0.516 37.730 38.460 -0.356 0.000 1.126 109 Y HN -0.186 nan 8.280 nan 0.000 0.524 110 A N 0.386 123.204 122.820 -0.004 0.000 2.546 110 A HA 0.070 4.390 4.320 -0.000 0.000 0.243 110 A C 1.133 178.676 177.584 -0.068 0.000 1.063 110 A CA -0.063 51.966 52.037 -0.013 0.000 0.757 110 A CB 0.383 19.331 19.000 -0.087 0.000 0.991 110 A HN 0.392 nan 8.150 nan 0.000 0.503 111 K N 0.753 121.112 120.400 -0.069 0.000 2.393 111 K HA 0.402 4.722 4.320 -0.000 0.000 0.193 111 K C 0.293 176.881 176.600 -0.020 0.000 1.026 111 K CA 1.164 57.395 56.287 -0.092 0.000 1.064 111 K CB 0.475 32.932 32.500 -0.071 0.000 0.833 111 K HN 0.856 nan 8.250 nan 0.000 0.521 112 A N 0.316 123.121 122.820 -0.024 0.000 2.594 112 A HA 0.634 4.954 4.320 -0.000 0.000 0.295 112 A C -1.579 175.923 177.584 -0.136 0.000 1.071 112 A CA -0.772 51.240 52.037 -0.041 0.000 0.685 112 A CB 1.226 20.230 19.000 0.006 0.000 1.285 112 A HN -0.017 nan 8.150 nan 0.000 0.405 113 I N 1.548 121.976 120.570 -0.235 0.000 2.498 113 I HA 0.299 4.469 4.170 -0.000 0.000 0.290 113 I C -0.354 175.618 176.117 -0.241 0.000 1.032 113 I CA -0.585 60.474 61.300 -0.401 0.000 1.073 113 I CB 1.802 39.200 38.000 -1.003 0.000 1.251 113 I HN 0.779 nan 8.210 nan 0.000 0.426 114 N N 4.850 123.436 118.700 -0.190 0.000 3.124 114 N HA 0.457 5.197 4.740 -0.000 0.000 0.284 114 N C 0.254 175.705 175.510 -0.097 0.000 1.209 114 N CA 0.765 53.748 53.050 -0.113 0.000 1.149 114 N CB 0.091 38.511 38.487 -0.112 0.000 1.434 114 N HN 0.986 nan 8.380 nan 0.000 0.529 115 G N -0.002 108.782 108.800 -0.028 0.000 2.526 115 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.250 115 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.250 115 G C -0.875 174.039 174.900 0.024 0.000 1.289 115 G CA -0.495 44.598 45.100 -0.011 0.000 0.947 115 G HN 0.399 nan 8.290 nan 0.000 0.517 116 S N -1.603 114.063 115.700 -0.057 0.000 2.713 116 S HA 0.684 5.154 4.470 -0.000 0.000 0.283 116 S C 0.418 174.920 174.600 -0.163 0.000 1.161 116 S CA 0.173 58.314 58.200 -0.098 0.000 0.999 116 S CB 1.779 64.905 63.200 -0.123 0.000 1.039 116 S HN 1.737 nan 8.310 nan 0.000 0.548 117 V N 2.050 121.806 119.914 -0.264 0.000 2.649 117 V HA 0.427 4.547 4.120 -0.000 0.000 0.292 117 V C -0.781 175.043 176.094 -0.450 0.000 1.055 117 V CA -0.405 61.645 62.300 -0.417 0.000 1.023 117 V CB 0.427 31.855 31.823 -0.658 0.000 0.992 117 V HN 0.670 nan 8.190 nan 0.000 0.480 118 I N 6.868 127.252 120.570 -0.310 0.000 2.297 118 I HA 0.270 4.440 4.170 -0.000 0.000 0.291 118 I C -0.483 175.495 176.117 -0.232 0.000 1.033 118 I CA -0.086 61.117 61.300 -0.162 0.000 1.253 118 I CB 0.864 38.902 38.000 0.064 0.000 1.396 118 I HN 0.664 nan 8.210 nan 0.000 0.476 119 W N 6.596 127.848 121.300 -0.081 0.000 2.469 119 W HA 0.157 4.817 4.660 -0.000 0.000 0.321 119 W C 0.523 176.927 176.519 -0.192 0.000 1.415 119 W CA 0.171 57.445 57.345 -0.118 0.000 1.308 119 W CB 0.239 29.671 29.460 -0.048 0.000 1.368 119 W HN 0.489 nan 8.180 nan 0.000 0.546 120 N N 1.597 120.272 118.700 -0.041 0.000 2.367 120 N HA 0.118 4.858 4.740 -0.000 0.000 0.278 120 N C 0.096 175.553 175.510 -0.089 0.000 1.117 120 N CA -0.520 52.365 53.050 -0.275 0.000 0.867 120 N CB 1.360 39.189 38.487 -1.096 0.000 1.649 120 N HN 0.177 nan 8.380 nan 0.000 0.479 121 D N 1.428 121.822 120.400 -0.011 0.000 2.357 121 D HA -0.079 4.561 4.640 -0.000 0.000 0.216 121 D C 1.079 177.436 176.300 0.095 0.000 0.973 121 D CA 1.233 55.290 54.000 0.094 0.000 0.912 121 D CB 0.001 40.786 40.800 -0.025 0.000 0.900 121 D HN 0.558 nan 8.370 nan 0.000 0.501 122 A N -0.066 122.717 122.820 -0.060 0.000 2.275 122 A HA 0.123 4.443 4.320 -0.000 0.000 0.212 122 A C 1.684 179.235 177.584 -0.055 0.000 1.201 122 A CA 0.081 52.094 52.037 -0.041 0.000 0.843 122 A CB -0.005 19.001 19.000 0.010 0.000 0.873 122 A HN 0.204 nan 8.150 nan 0.000 0.492 123 V N -4.613 115.220 119.914 -0.135 0.000 3.499 123 V HA 0.324 4.444 4.120 -0.000 0.000 0.308 123 V C 1.160 177.051 176.094 -0.338 0.000 1.319 123 V CA 0.521 62.670 62.300 -0.253 0.000 1.194 123 V CB -1.449 30.143 31.823 -0.386 0.000 1.072 123 V HN 0.351 nan 8.190 nan 0.000 0.426 124 F N 1.402 121.299 119.950 -0.088 0.000 2.553 124 F HA 0.578 5.105 4.527 -0.000 0.000 0.282 124 F C 2.261 178.047 175.800 -0.023 0.000 1.089 124 F CA 1.061 58.999 58.000 -0.104 0.000 1.411 124 F CB 0.356 39.125 39.000 -0.384 0.000 1.125 124 F HN 0.364 nan 8.300 nan 0.000 0.610 125 G N -0.034 108.810 108.800 0.074 0.000 2.225 125 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.254 125 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.254 125 G C 0.007 175.000 174.900 0.154 0.000 0.988 125 G CA 0.396 45.536 45.100 0.067 0.000 0.625 125 G HN 0.501 nan 8.290 nan 0.000 0.527 126 Y N -0.370 120.018 120.300 0.147 0.000 2.602 126 Y HA 0.835 5.385 4.550 -0.000 0.000 0.342 126 Y C 0.032 175.974 175.900 0.070 0.000 1.029 126 Y CA -1.857 56.324 58.100 0.135 0.000 1.080 126 Y CB 1.097 39.677 38.460 0.201 0.000 1.284 126 Y HN 0.055 nan 8.280 nan 0.000 0.485 127 K N 2.498 122.965 120.400 0.112 0.000 2.249 127 K HA 0.210 4.530 4.320 -0.000 0.000 0.280 127 K C 0.525 177.124 176.600 -0.002 0.000 1.033 127 K CA -0.612 55.672 56.287 -0.004 0.000 0.946 127 K CB 1.193 33.728 32.500 0.059 0.000 1.005 127 K HN 0.622 nan 8.250 nan 0.000 0.469 128 I N 1.487 121.982 120.570 -0.126 0.000 2.072 128 I HA -0.251 3.919 4.170 -0.000 0.000 0.235 128 I C 1.748 177.867 176.117 0.003 0.000 1.058 128 I CA 2.481 63.685 61.300 -0.158 0.000 1.320 128 I CB -1.252 36.609 38.000 -0.230 0.000 1.047 128 I HN 1.076 nan 8.210 nan 0.000 0.397 129 G N -0.210 108.591 108.800 0.002 0.000 2.953 129 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.201 129 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.201 129 G C 0.344 175.258 174.900 0.024 0.000 1.501 129 G CA 0.204 45.299 45.100 -0.010 0.000 1.094 129 G HN 0.403 nan 8.290 nan 0.000 0.555 130 D N 1.127 121.560 120.400 0.056 0.000 2.387 130 D HA 0.452 5.092 4.640 -0.000 0.000 0.251 130 D C 1.615 177.960 176.300 0.075 0.000 1.141 130 D CA 0.365 54.407 54.000 0.070 0.000 0.987 130 D CB 1.189 42.048 40.800 0.098 0.000 1.116 130 D HN 0.562 nan 8.370 nan 0.000 0.491 131 Q N 0.465 120.303 119.800 0.064 0.000 2.319 131 Q HA 0.132 4.472 4.340 -0.000 0.000 0.202 131 Q C 0.393 176.432 176.000 0.065 0.000 0.896 131 Q CA 0.083 55.920 55.803 0.057 0.000 0.942 131 Q CB 0.186 28.949 28.738 0.041 0.000 1.083 131 Q HN 0.191 nan 8.270 nan 0.000 0.510 132 N N 0.956 119.704 118.700 0.080 0.000 2.463 132 N HA -0.026 4.714 4.740 -0.000 0.000 0.181 132 N C 0.066 175.630 175.510 0.089 0.000 1.078 132 N CA 0.571 53.671 53.050 0.082 0.000 0.902 132 N CB 0.116 38.660 38.487 0.095 0.000 0.970 132 N HN 0.345 nan 8.380 nan 0.000 0.451 133 Q N 0.143 120.011 119.800 0.112 0.000 2.146 133 Q HA -0.276 4.064 4.340 -0.000 0.000 0.412 133 Q C 0.259 176.290 176.000 0.053 0.000 0.668 133 Q CA 2.216 58.085 55.803 0.111 0.000 0.931 133 Q CB -1.111 27.642 28.738 0.025 0.000 2.824 133 Q HN 0.581 nan 8.270 nan 0.000 0.873 134 D N 0.649 120.924 120.400 -0.209 0.000 2.392 134 D HA -0.093 4.547 4.640 -0.000 0.000 0.228 134 D C 1.454 177.768 176.300 0.024 0.000 1.003 134 D CA 0.680 54.499 54.000 -0.303 0.000 0.917 134 D CB 0.078 40.731 40.800 -0.244 0.000 0.890 134 D HN 0.153 nan 8.370 nan 0.000 0.532 135 L N 1.261 122.535 121.223 0.085 0.000 2.307 135 L HA 0.047 4.387 4.340 -0.000 0.000 0.211 135 L C 1.423 178.474 176.870 0.301 0.000 1.099 135 L CA 0.717 55.635 54.840 0.130 0.000 0.816 135 L CB -0.506 41.599 42.059 0.076 0.000 0.952 135 L HN 0.104 nan 8.230 nan 0.000 0.455 136 T N -2.804 111.937 114.554 0.313 0.000 2.726 136 T HA 0.129 4.479 4.350 -0.000 0.000 0.294 136 T C -0.521 174.438 174.700 0.432 0.000 1.013 136 T CA -0.245 62.055 62.100 0.334 0.000 0.996 136 T CB 0.687 69.704 68.868 0.248 0.000 1.016 136 T HN 0.103 nan 8.240 nan 0.000 0.529 137 Y N 0.180 120.523 120.300 0.072 0.000 2.349 137 Y HA 0.301 4.851 4.550 0.000 0.000 0.324 137 Y C -0.607 175.233 175.900 -0.100 0.000 1.005 137 Y CA -0.997 56.985 58.100 -0.195 0.000 1.240 137 Y CB 1.029 39.217 38.460 -0.454 0.000 1.117 137 Y HN 0.780 nan 8.280 nan 0.000 0.463 138 D N 4.992 125.180 120.400 -0.354 0.000 2.312 138 D HA 0.045 4.685 4.640 -0.000 0.000 0.252 138 D C 0.362 176.412 176.300 -0.417 0.000 1.150 138 D CA 0.174 54.009 54.000 -0.275 0.000 0.870 138 D CB 1.298 41.998 40.800 -0.166 0.000 1.153 138 D HN 0.732 nan 8.370 nan 0.000 0.457 139 E N 3.008 123.075 120.200 -0.222 0.000 2.318 139 E HA -0.010 4.340 4.350 -0.000 0.000 0.193 139 E C 0.391 176.930 176.600 -0.102 0.000 0.998 139 E CA 0.155 56.462 56.400 -0.155 0.000 0.859 139 E CB 0.403 30.092 29.700 -0.018 0.000 0.812 139 E HN 0.392 nan 8.360 nan 0.000 0.492 140 R N 2.216 122.667 120.500 -0.081 0.000 2.640 140 R HA 0.011 4.351 4.340 -0.000 0.000 0.270 140 R C 0.606 176.883 176.300 -0.040 0.000 1.024 140 R CA 0.120 56.200 56.100 -0.033 0.000 1.085 140 R CB 0.340 30.636 30.300 -0.006 0.000 0.963 140 R HN 0.076 nan 8.270 nan 0.000 0.426 141 D N 0.751 121.139 120.400 -0.020 0.000 2.372 141 D HA -0.029 4.611 4.640 -0.000 0.000 0.243 141 D C 0.393 176.688 176.300 -0.008 0.000 1.121 141 D CA 0.151 54.129 54.000 -0.037 0.000 0.898 141 D CB 1.065 41.826 40.800 -0.065 0.000 1.202 141 D HN 0.582 nan 8.370 nan 0.000 0.428 142 S N 1.399 117.084 115.700 -0.026 0.000 2.526 142 S HA 0.143 4.613 4.470 -0.000 0.000 0.220 142 S C 1.883 176.456 174.600 -0.045 0.000 1.017 142 S CA 0.387 58.602 58.200 0.026 0.000 0.930 142 S CB 0.382 63.566 63.200 -0.026 0.000 0.856 142 S HN 0.555 nan 8.310 nan 0.000 0.497 143 G N 2.042 110.767 108.800 -0.126 0.000 2.475 143 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.220 143 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.220 143 G C 1.226 175.927 174.900 -0.332 0.000 1.125 143 G CA 1.064 46.047 45.100 -0.194 0.000 0.755 143 G HN 0.647 nan 8.290 nan 0.000 0.565 144 E N -0.653 119.267 120.200 -0.467 0.000 2.209 144 E HA -0.137 4.213 4.350 -0.000 0.000 0.196 144 E C 1.419 177.611 176.600 -0.679 0.000 0.993 144 E CA 0.909 56.891 56.400 -0.696 0.000 0.819 144 E CB -0.074 29.007 29.700 -1.031 0.000 0.745 144 E HN 0.746 nan 8.360 nan 0.000 0.477 145 Y N -1.631 118.545 120.300 -0.207 0.000 2.453 145 Y HA 0.251 4.801 4.550 -0.000 0.000 0.247 145 Y C 0.111 175.844 175.900 -0.277 0.000 1.124 145 Y CA -0.500 57.467 58.100 -0.222 0.000 1.243 145 Y CB 1.103 39.441 38.460 -0.204 0.000 1.213 145 Y HN -0.217 nan 8.280 nan 0.000 0.523 146 V N 5.092 124.907 119.914 -0.165 0.000 2.350 146 V HA 0.266 4.386 4.120 -0.000 0.000 0.276 146 V C -2.024 173.905 176.094 -0.274 0.000 1.028 146 V CA -2.359 59.805 62.300 -0.226 0.000 0.860 146 V CB 1.133 32.830 31.823 -0.210 0.000 0.990 146 V HN -0.045 nan 8.190 nan 0.000 0.453 147 P HA 0.141 nan 4.420 nan 0.000 0.270 147 P C -0.906 176.205 177.300 -0.315 0.000 1.223 147 P CA -0.296 62.645 63.100 -0.266 0.000 0.785 147 P CB 0.694 32.261 31.700 -0.220 0.000 0.923 148 K N 0.863 121.067 120.400 -0.327 0.000 2.110 148 K HA 0.358 4.678 4.320 -0.000 0.000 0.263 148 K C 0.332 176.741 176.600 -0.317 0.000 0.975 148 K CA -0.624 55.455 56.287 -0.348 0.000 0.895 148 K CB 0.655 32.945 32.500 -0.350 0.000 1.060 148 K HN 0.355 nan 8.250 nan 0.000 0.448 149 S N 0.560 116.003 115.700 -0.429 0.000 2.579 149 S HA 0.240 4.710 4.470 -0.000 0.000 0.275 149 S C 0.228 174.699 174.600 -0.215 0.000 1.345 149 S CA -0.779 57.155 58.200 -0.444 0.000 1.031 149 S CB 0.630 63.353 63.200 -0.795 0.000 0.892 149 S HN 0.322 nan 8.310 nan 0.000 0.529 150 V N 2.376 122.311 119.914 0.035 0.000 2.656 150 V HA 0.317 4.437 4.120 -0.000 0.000 0.307 150 V C -0.207 176.045 176.094 0.263 0.000 1.051 150 V CA -0.905 61.498 62.300 0.172 0.000 0.893 150 V CB 1.888 33.739 31.823 0.047 0.000 0.999 150 V HN 0.710 nan 8.190 nan 0.000 0.426 151 V N 5.996 126.042 119.914 0.221 0.000 2.555 151 V HA 0.378 4.498 4.120 -0.000 0.000 0.286 151 V C 0.127 176.231 176.094 0.016 0.000 1.044 151 V CA 0.064 62.398 62.300 0.057 0.000 1.026 151 V CB 0.836 32.622 31.823 -0.062 0.000 0.981 151 V HN 0.802 nan 8.190 nan 0.000 0.480 152 I N 1.538 122.122 120.570 0.024 0.000 2.910 152 I HA 0.682 4.852 4.170 -0.000 0.000 0.310 152 I C -0.292 175.851 176.117 0.043 0.000 1.043 152 I CA -0.919 60.399 61.300 0.030 0.000 1.053 152 I CB 2.079 40.120 38.000 0.068 0.000 1.242 152 I HN 0.434 nan 8.210 nan 0.000 0.452 153 N N 3.941 122.669 118.700 0.047 0.000 2.462 153 N HA 0.423 5.163 4.740 -0.000 0.000 0.242 153 N C -1.718 173.931 175.510 0.231 0.000 1.010 153 N CA -2.499 50.633 53.050 0.136 0.000 0.939 153 N CB 0.995 39.519 38.487 0.062 0.000 1.127 153 N HN 0.479 nan 8.380 nan 0.000 0.509 154 P HA -0.089 nan 4.420 nan 0.000 0.226 154 P C 0.048 177.525 177.300 0.294 0.000 1.153 154 P CA 0.365 63.625 63.100 0.268 0.000 0.777 154 P CB -0.119 31.739 31.700 0.264 0.000 0.794 155 Y N 1.437 121.862 120.300 0.209 0.000 2.610 155 Y HA 0.281 4.831 4.550 -0.000 0.000 0.332 155 Y C -0.483 175.531 175.900 0.191 0.000 1.201 155 Y CA 0.026 58.239 58.100 0.188 0.000 1.465 155 Y CB -0.034 38.515 38.460 0.149 0.000 1.283 155 Y HN -0.161 nan 8.280 nan 0.000 0.563 156 F N 4.960 124.378 119.950 -0.886 0.000 2.635 156 F HA 0.303 4.830 4.527 -0.000 0.000 0.314 156 F C -1.284 173.908 175.800 -1.014 0.000 1.119 156 F CA -0.976 56.445 58.000 -0.965 0.000 1.000 156 F CB 1.402 39.909 39.000 -0.823 0.000 1.278 156 F HN 0.554 nan 8.300 nan 0.000 0.446 157 E N 5.072 124.246 120.200 -1.711 0.000 1.814 157 E HA 0.048 4.398 4.350 -0.000 0.000 0.264 157 E C -1.514 174.634 176.600 -0.754 0.000 1.179 157 E CA -0.125 55.684 56.400 -0.985 0.000 0.972 157 E CB 0.176 29.438 29.700 -0.729 0.000 1.077 157 E HN 0.397 nan 8.360 nan 0.000 0.417 158 W N 3.098 124.321 121.300 -0.128 0.000 2.335 158 W HA 0.100 4.760 4.660 -0.000 0.000 0.306 158 W C 0.812 177.355 176.519 0.039 0.000 1.216 158 W CA -0.590 56.796 57.345 0.070 0.000 1.237 158 W CB 0.735 30.242 29.460 0.079 0.000 1.243 158 W HN 0.386 nan 8.180 nan 0.000 0.493 159 D N 1.742 122.304 120.400 0.270 0.000 2.670 159 D HA -0.074 4.566 4.640 -0.000 0.000 0.255 159 D C 0.255 176.688 176.300 0.221 0.000 1.286 159 D CA -0.110 54.004 54.000 0.191 0.000 0.830 159 D CB -0.345 40.514 40.800 0.097 0.000 1.065 159 D HN 0.437 nan 8.370 nan 0.000 0.486 160 D N 0.570 121.161 120.400 0.318 0.000 2.690 160 D HA -0.032 4.608 4.640 -0.000 0.000 0.236 160 D C 0.886 177.317 176.300 0.217 0.000 1.218 160 D CA -0.271 53.895 54.000 0.277 0.000 0.829 160 D CB 0.193 41.201 40.800 0.346 0.000 1.009 160 D HN 0.289 nan 8.370 nan 0.000 0.482 161 E N 0.777 121.088 120.200 0.184 0.000 2.058 161 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 161 E C 1.046 177.707 176.600 0.101 0.000 0.997 161 E CA 1.063 57.541 56.400 0.130 0.000 0.801 161 E CB -0.022 29.744 29.700 0.111 0.000 0.746 161 E HN 0.336 nan 8.360 nan 0.000 0.450 162 D N 0.275 120.746 120.400 0.117 0.000 2.116 162 D HA -0.171 4.469 4.640 -0.000 0.000 0.193 162 D C 1.720 178.078 176.300 0.097 0.000 0.998 162 D CA 1.061 55.121 54.000 0.101 0.000 0.836 162 D CB -0.314 40.559 40.800 0.123 0.000 0.951 162 D HN 0.039 nan 8.370 nan 0.000 0.449 163 F N 1.102 121.039 119.950 -0.022 0.000 2.012 163 F HA -0.135 4.392 4.527 -0.000 0.000 0.289 163 F C 2.458 178.174 175.800 -0.140 0.000 1.185 163 F CA 0.658 58.609 58.000 -0.081 0.000 1.149 163 F CB -0.473 38.459 39.000 -0.113 0.000 0.994 163 F HN -0.183 nan 8.300 nan 0.000 0.481 164 I N 0.408 120.995 120.570 0.028 0.000 2.130 164 I HA -0.349 3.821 4.170 -0.000 0.000 0.241 164 I C 0.784 176.822 176.117 -0.131 0.000 1.023 164 I CA 1.855 63.081 61.300 -0.123 0.000 1.293 164 I CB -1.232 36.671 38.000 -0.161 0.000 1.001 164 I HN 0.157 nan 8.210 nan 0.000 0.407 165 K N 0.356 120.708 120.400 -0.080 0.000 2.264 165 K HA 0.364 4.684 4.320 -0.000 0.000 0.277 165 K C 0.681 177.232 176.600 -0.081 0.000 1.067 165 K CA 0.284 56.527 56.287 -0.073 0.000 0.900 165 K CB 1.464 33.941 32.500 -0.038 0.000 1.124 165 K HN 0.307 nan 8.250 nan 0.000 0.469 166 G N 2.704 111.439 108.800 -0.108 0.000 2.535 166 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.191 166 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.191 166 G C 0.219 175.028 174.900 -0.152 0.000 1.242 166 G CA -0.118 44.913 45.100 -0.116 0.000 0.797 166 G HN 0.360 nan 8.290 nan 0.000 0.863 167 K N 2.074 122.375 120.400 -0.165 0.000 2.265 167 K HA 0.338 4.658 4.320 -0.000 0.000 0.242 167 K C 0.232 176.678 176.600 -0.256 0.000 1.137 167 K CA -0.219 55.970 56.287 -0.162 0.000 1.082 167 K CB 0.141 32.576 32.500 -0.108 0.000 1.731 167 K HN 0.151 nan 8.250 nan 0.000 0.392 168 K N 0.096 120.294 120.400 -0.336 0.000 2.332 168 K HA 0.100 4.420 4.320 -0.000 0.000 0.246 168 K C 0.017 176.471 176.600 -0.243 0.000 1.066 168 K CA -0.632 55.361 56.287 -0.490 0.000 0.898 168 K CB 0.440 32.631 32.500 -0.516 0.000 1.192 168 K HN 0.106 nan 8.250 nan 0.000 0.509 169 V N 3.371 123.186 119.914 -0.166 0.000 2.521 169 V HA 0.131 4.251 4.120 -0.000 0.000 0.286 169 V C -2.029 174.025 176.094 -0.066 0.000 1.034 169 V CA -1.498 60.756 62.300 -0.076 0.000 1.045 169 V CB 0.530 32.348 31.823 -0.009 0.000 0.974 169 V HN 0.589 nan 8.190 nan 0.000 0.480 170 P HA 0.238 nan 4.420 nan 0.000 0.279 170 P C 0.968 178.167 177.300 -0.168 0.000 1.276 170 P CA -0.471 62.568 63.100 -0.103 0.000 0.801 170 P CB 1.276 32.911 31.700 -0.108 0.000 1.127 171 L N 0.209 121.309 121.223 -0.204 0.000 2.191 171 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 171 L C 2.415 178.942 176.870 -0.572 0.000 1.103 171 L CA 1.697 56.399 54.840 -0.231 0.000 0.769 171 L CB -0.745 41.234 42.059 -0.133 0.000 0.908 171 L HN 0.494 nan 8.230 nan 0.000 0.438 172 K N -1.231 118.619 120.400 -0.916 0.000 2.442 172 K HA -0.108 4.212 4.320 -0.000 0.000 0.198 172 K C 0.385 176.529 176.600 -0.760 0.000 1.042 172 K CA 1.342 56.621 56.287 -1.680 0.000 0.958 172 K CB 0.050 31.876 32.500 -1.125 0.000 0.766 172 K HN 0.208 nan 8.250 nan 0.000 0.474 173 D N 0.616 120.783 120.400 -0.390 0.000 2.503 173 D HA 0.046 4.686 4.640 -0.000 0.000 0.218 173 D C -0.554 175.706 176.300 -0.067 0.000 1.183 173 D CA 0.001 53.885 54.000 -0.195 0.000 0.827 173 D CB 0.958 41.664 40.800 -0.157 0.000 1.034 173 D HN 0.047 nan 8.370 nan 0.000 0.510 174 T N 1.066 115.592 114.554 -0.047 0.000 2.780 174 T HA 0.344 4.694 4.350 -0.000 0.000 0.294 174 T C 0.314 175.085 174.700 0.118 0.000 0.949 174 T CA -0.245 61.873 62.100 0.030 0.000 1.074 174 T CB 2.180 71.051 68.868 0.005 0.000 0.910 174 T HN -0.252 nan 8.240 nan 0.000 0.501 175 V N 5.672 125.650 119.914 0.107 0.000 2.334 175 V HA 0.389 4.509 4.120 -0.000 0.000 0.281 175 V C 0.239 176.376 176.094 0.073 0.000 1.016 175 V CA -0.807 61.551 62.300 0.096 0.000 0.832 175 V CB 0.721 32.606 31.823 0.104 0.000 0.999 175 V HN 0.785 nan 8.190 nan 0.000 0.439 176 I N 4.380 124.983 120.570 0.056 0.000 2.612 176 I HA 0.351 4.521 4.170 -0.000 0.000 0.295 176 I C -0.720 175.470 176.117 0.121 0.000 1.011 176 I CA -0.518 60.820 61.300 0.063 0.000 1.326 176 I CB 0.852 38.861 38.000 0.014 0.000 1.427 176 I HN 0.588 nan 8.210 nan 0.000 0.537 177 Y N 4.330 124.610 120.300 -0.033 0.000 2.402 177 Y HA 0.268 4.818 4.550 -0.000 0.000 0.325 177 Y C -0.269 175.613 175.900 -0.030 0.000 1.009 177 Y CA -0.870 57.217 58.100 -0.023 0.000 1.278 177 Y CB 1.091 39.536 38.460 -0.024 0.000 1.105 177 Y HN 0.574 nan 8.280 nan 0.000 0.476 178 E N 5.350 125.396 120.200 -0.258 0.000 2.180 178 E HA 0.502 4.852 4.350 -0.000 0.000 0.283 178 E C -1.761 174.677 176.600 -0.270 0.000 1.061 178 E CA -0.395 55.894 56.400 -0.185 0.000 0.861 178 E CB 0.944 30.597 29.700 -0.079 0.000 1.056 178 E HN 0.454 nan 8.360 nan 0.000 0.407 179 V N 5.906 125.695 119.914 -0.208 0.000 2.733 179 V HA 0.201 4.321 4.120 -0.000 0.000 0.306 179 V C -1.310 174.702 176.094 -0.136 0.000 1.084 179 V CA -0.782 61.404 62.300 -0.190 0.000 0.905 179 V CB 1.772 33.376 31.823 -0.365 0.000 1.010 179 V HN 0.866 nan 8.190 nan 0.000 0.424 180 H N 4.872 123.881 119.070 -0.102 0.000 2.646 180 H HA 0.303 4.859 4.556 -0.000 0.000 0.325 180 H C 0.739 175.948 175.328 -0.197 0.000 1.075 180 H CA 0.799 56.759 56.048 -0.146 0.000 1.421 180 H CB 2.181 31.936 29.762 -0.011 0.000 1.461 180 H HN 0.591 nan 8.280 nan 0.000 0.525 181 V N 5.528 125.103 119.914 -0.565 0.000 2.295 181 V HA -0.262 3.858 4.120 -0.000 0.000 0.246 181 V C 2.685 178.668 176.094 -0.185 0.000 1.049 181 V CA 2.348 64.390 62.300 -0.431 0.000 1.024 181 V CB -0.408 30.956 31.823 -0.765 0.000 0.648 181 V HN 0.704 nan 8.190 nan 0.000 0.447 182 K N 0.102 120.456 120.400 -0.078 0.000 2.025 182 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 182 K C 2.142 178.913 176.600 0.285 0.000 1.049 182 K CA 1.579 58.006 56.287 0.234 0.000 0.933 182 K CB -0.625 32.229 32.500 0.590 0.000 0.714 182 K HN 0.476 nan 8.250 nan 0.000 0.438 183 G N 0.259 109.390 108.800 0.552 0.000 2.443 183 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.219 183 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.219 183 G C 1.253 176.284 174.900 0.217 0.000 1.131 183 G CA 0.273 45.722 45.100 0.581 0.000 0.775 183 G HN 0.343 nan 8.290 nan 0.000 0.547 184 F N 2.831 122.616 119.950 -0.275 0.000 2.126 184 F HA -0.075 4.452 4.527 0.000 0.000 0.299 184 F C 2.374 178.159 175.800 -0.026 0.000 1.096 184 F CA 2.015 59.661 58.000 -0.591 0.000 1.255 184 F CB -0.199 38.599 39.000 -0.337 0.000 0.997 184 F HN 0.196 nan 8.300 nan 0.000 0.479 185 T N -3.843 110.680 114.554 -0.053 0.000 3.209 185 T HA 0.178 4.528 4.350 -0.000 0.000 0.295 185 T C 1.307 175.926 174.700 -0.136 0.000 0.977 185 T CA -0.124 61.860 62.100 -0.194 0.000 0.922 185 T CB 0.273 68.971 68.868 -0.283 0.000 1.152 185 T HN -0.035 nan 8.240 nan 0.000 0.527 186 K N 2.103 122.425 120.400 -0.129 0.000 2.097 186 K HA 0.189 4.509 4.320 -0.000 0.000 0.206 186 K C 1.214 177.669 176.600 -0.242 0.000 1.049 186 K CA 1.210 57.287 56.287 -0.349 0.000 0.933 186 K CB -0.520 31.435 32.500 -0.909 0.000 0.717 186 K HN 0.521 nan 8.250 nan 0.000 0.442 187 L N 0.606 121.817 121.223 -0.020 0.000 3.066 187 L HA 0.314 4.654 4.340 -0.000 0.000 0.265 187 L C 0.105 177.063 176.870 0.146 0.000 1.232 187 L CA -0.566 54.326 54.840 0.088 0.000 1.031 187 L CB 0.419 42.596 42.059 0.198 0.000 1.379 187 L HN -0.141 nan 8.230 nan 0.000 0.563 188 R N 1.512 121.958 120.500 -0.091 0.000 2.351 188 R HA 0.174 4.514 4.340 -0.000 0.000 0.321 188 R C 0.898 177.044 176.300 -0.256 0.000 1.182 188 R CA 0.005 55.841 56.100 -0.439 0.000 1.011 188 R CB 0.520 30.370 30.300 -0.751 0.000 1.048 188 R HN 0.389 nan 8.270 nan 0.000 0.490 189 L N 1.612 122.743 121.223 -0.154 0.000 2.291 189 L HA -0.149 4.191 4.340 -0.000 0.000 0.214 189 L C 1.551 178.353 176.870 -0.114 0.000 1.120 189 L CA 1.148 55.931 54.840 -0.095 0.000 0.799 189 L CB -0.113 41.925 42.059 -0.035 0.000 0.925 189 L HN 0.493 nan 8.230 nan 0.000 0.446 190 D N 0.016 120.321 120.400 -0.157 0.000 2.344 190 D HA 0.011 4.651 4.640 -0.000 0.000 0.242 190 D C 0.319 176.528 176.300 -0.151 0.000 1.159 190 D CA 0.267 54.183 54.000 -0.140 0.000 0.859 190 D CB -0.017 40.697 40.800 -0.144 0.000 0.925 190 D HN 0.277 nan 8.370 nan 0.000 0.510 191 L N 0.750 121.878 121.223 -0.158 0.000 2.362 191 L HA 0.398 4.738 4.340 -0.000 0.000 0.271 191 L C -2.359 174.449 176.870 -0.103 0.000 1.002 191 L CA -2.433 52.322 54.840 -0.141 0.000 0.818 191 L CB 2.242 44.193 42.059 -0.180 0.000 1.298 191 L HN -0.275 nan 8.230 nan 0.000 0.420 192 P HA -0.014 nan 4.420 nan 0.000 0.268 192 P C 0.200 177.462 177.300 -0.064 0.000 1.205 192 P CA -0.026 63.037 63.100 -0.062 0.000 0.771 192 P CB 1.185 32.855 31.700 -0.049 0.000 0.858 193 E N 4.876 125.044 120.200 -0.054 0.000 2.082 193 E HA -0.326 4.024 4.350 -0.000 0.000 0.215 193 E C 1.364 177.932 176.600 -0.053 0.000 1.048 193 E CA 2.811 59.179 56.400 -0.054 0.000 0.869 193 E CB -1.161 28.516 29.700 -0.038 0.000 0.773 193 E HN 0.613 nan 8.360 nan 0.000 0.466 194 N N 0.323 119.000 118.700 -0.039 0.000 2.513 194 N HA -0.157 4.583 4.740 -0.000 0.000 0.187 194 N C 1.737 177.227 175.510 -0.034 0.000 1.056 194 N CA 1.684 54.715 53.050 -0.031 0.000 0.907 194 N CB -0.672 37.803 38.487 -0.020 0.000 0.954 194 N HN 0.633 nan 8.380 nan 0.000 0.445 195 I N -4.540 116.003 120.570 -0.046 0.000 4.082 195 I HA 0.313 4.483 4.170 -0.000 0.000 0.337 195 I C -0.110 175.963 176.117 -0.073 0.000 1.352 195 I CA -0.680 60.591 61.300 -0.047 0.000 1.097 195 I CB 0.222 38.197 38.000 -0.041 0.000 1.048 195 I HN -0.178 nan 8.210 nan 0.000 0.393 196 R N 2.401 122.847 120.500 -0.091 0.000 2.347 196 R HA 0.413 4.753 4.340 -0.000 0.000 0.304 196 R C 0.850 177.076 176.300 -0.122 0.000 1.072 196 R CA 0.518 56.542 56.100 -0.126 0.000 0.980 196 R CB 0.610 30.825 30.300 -0.141 0.000 0.986 196 R HN 0.525 nan 8.270 nan 0.000 0.448 197 G N 2.372 111.102 108.800 -0.116 0.000 2.298 197 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.287 197 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.287 197 G C 0.061 174.934 174.900 -0.046 0.000 1.075 197 G CA 0.638 45.693 45.100 -0.074 0.000 0.960 197 G HN 0.726 nan 8.290 nan 0.000 0.502 198 T N -4.151 110.364 114.554 -0.066 0.000 2.864 198 T HA 0.649 4.999 4.350 -0.000 0.000 0.289 198 T C 0.976 175.631 174.700 -0.075 0.000 1.082 198 T CA -0.282 61.751 62.100 -0.112 0.000 1.009 198 T CB 1.228 70.056 68.868 -0.066 0.000 1.234 198 T HN 0.135 nan 8.240 nan 0.000 0.526 199 Y N -0.085 120.264 120.300 0.082 0.000 2.181 199 Y HA -0.023 4.527 4.550 0.000 0.000 0.288 199 Y C 2.871 178.762 175.900 -0.016 0.000 1.146 199 Y CA 1.410 59.525 58.100 0.026 0.000 1.164 199 Y CB -0.016 38.487 38.460 0.072 0.000 0.982 199 Y HN 0.806 nan 8.280 nan 0.000 0.515 200 E N 0.316 120.606 120.200 0.150 0.000 2.072 200 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 200 E C 2.519 179.133 176.600 0.023 0.000 0.985 200 E CA 0.919 57.360 56.400 0.068 0.000 0.801 200 E CB -0.432 29.302 29.700 0.057 0.000 0.750 200 E HN 0.464 nan 8.360 nan 0.000 0.452 201 G N 1.545 110.347 108.800 0.003 0.000 2.450 201 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.220 201 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.220 201 G C 1.538 176.426 174.900 -0.020 0.000 1.130 201 G CA 0.826 45.902 45.100 -0.041 0.000 0.760 201 G HN 0.332 nan 8.290 nan 0.000 0.557 202 L N 0.198 121.461 121.223 0.066 0.000 2.131 202 L HA 0.314 4.654 4.340 -0.000 0.000 0.206 202 L C 2.641 179.601 176.870 0.150 0.000 1.087 202 L CA 1.422 56.382 54.840 0.200 0.000 0.767 202 L CB -0.001 42.174 42.059 0.194 0.000 0.917 202 L HN 0.199 nan 8.230 nan 0.000 0.441 203 A N -0.965 121.886 122.820 0.051 0.000 2.387 203 A HA 0.214 4.534 4.320 -0.000 0.000 0.234 203 A C 1.036 178.618 177.584 -0.003 0.000 1.253 203 A CA 0.319 52.361 52.037 0.010 0.000 0.894 203 A CB -0.561 18.415 19.000 -0.039 0.000 0.963 203 A HN 0.492 nan 8.150 nan 0.000 0.508 204 S N -0.486 115.206 115.700 -0.012 0.000 2.569 204 S HA 0.007 4.477 4.470 -0.000 0.000 0.274 204 S C 0.969 175.547 174.600 -0.037 0.000 1.353 204 S CA 0.400 58.578 58.200 -0.037 0.000 1.023 204 S CB 0.758 63.914 63.200 -0.073 0.000 0.876 204 S HN 0.500 nan 8.310 nan 0.000 0.540 205 E N 1.177 121.353 120.200 -0.039 0.000 2.086 205 E HA -0.281 4.069 4.350 -0.000 0.000 0.200 205 E C 2.124 178.705 176.600 -0.032 0.000 1.012 205 E CA 1.923 58.305 56.400 -0.030 0.000 0.812 205 E CB -0.198 29.483 29.700 -0.031 0.000 0.743 205 E HN 0.891 nan 8.360 nan 0.000 0.453 206 Q N -0.483 119.279 119.800 -0.063 0.000 2.137 206 Q HA -0.128 4.212 4.340 -0.000 0.000 0.198 206 Q C 2.043 178.008 176.000 -0.058 0.000 0.960 206 Q CA 0.721 56.480 55.803 -0.073 0.000 0.847 206 Q CB -0.475 28.185 28.738 -0.129 0.000 0.915 206 Q HN 0.236 nan 8.270 nan 0.000 0.448 207 M N 1.367 120.909 119.600 -0.097 0.000 2.108 207 M HA -0.070 4.410 4.480 -0.000 0.000 0.261 207 M C 2.184 178.573 176.300 0.149 0.000 1.066 207 M CA 0.995 56.281 55.300 -0.023 0.000 1.107 207 M CB -0.704 31.863 32.600 -0.056 0.000 1.356 207 M HN 0.152 nan 8.290 nan 0.000 0.406 208 I N -0.422 120.192 120.570 0.074 0.000 2.208 208 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 208 I C 2.296 178.441 176.117 0.048 0.000 1.097 208 I CA 1.908 63.240 61.300 0.054 0.000 1.363 208 I CB -1.786 36.221 38.000 0.011 0.000 1.051 208 I HN 0.353 nan 8.210 nan 0.000 0.413 209 S N -0.013 115.715 115.700 0.048 0.000 2.406 209 S HA -0.204 4.266 4.470 -0.000 0.000 0.228 209 S C 2.100 176.738 174.600 0.064 0.000 1.020 209 S CA 0.491 58.714 58.200 0.038 0.000 0.965 209 S CB -1.055 62.162 63.200 0.028 0.000 0.798 209 S HN 0.508 nan 8.310 nan 0.000 0.488 210 Y N 2.730 123.028 120.300 -0.004 0.000 2.089 210 Y HA -0.063 4.487 4.550 -0.000 0.000 0.282 210 Y C 2.075 178.002 175.900 0.045 0.000 1.139 210 Y CA 1.657 59.778 58.100 0.035 0.000 1.123 210 Y CB -0.495 37.989 38.460 0.040 0.000 0.980 210 Y HN 0.149 nan 8.280 nan 0.000 0.493 211 L N 0.354 121.567 121.223 -0.017 0.000 2.127 211 L HA -0.262 4.078 4.340 -0.000 0.000 0.211 211 L C 2.497 179.243 176.870 -0.207 0.000 1.089 211 L CA 1.374 56.095 54.840 -0.199 0.000 0.757 211 L CB -0.583 41.439 42.059 -0.062 0.000 0.899 211 L HN 0.238 nan 8.230 nan 0.000 0.434 212 K N -0.098 120.236 120.400 -0.109 0.000 2.103 212 K HA -0.130 4.190 4.320 -0.000 0.000 0.204 212 K C 1.626 178.164 176.600 -0.102 0.000 1.052 212 K CA 1.277 57.514 56.287 -0.083 0.000 0.945 212 K CB -0.181 32.298 32.500 -0.036 0.000 0.722 212 K HN 0.272 nan 8.250 nan 0.000 0.443 213 D N 0.961 121.287 120.400 -0.123 0.000 2.149 213 D HA -0.117 4.523 4.640 -0.000 0.000 0.201 213 D C 1.789 177.991 176.300 -0.164 0.000 0.972 213 D CA 0.381 54.316 54.000 -0.110 0.000 0.835 213 D CB -0.132 40.629 40.800 -0.064 0.000 0.966 213 D HN -0.040 nan 8.370 nan 0.000 0.476 214 L N -0.168 120.871 121.223 -0.307 0.000 2.012 214 L HA -0.024 4.316 4.340 -0.000 0.000 0.210 214 L C 1.726 178.494 176.870 -0.170 0.000 1.073 214 L CA 2.473 57.139 54.840 -0.291 0.000 0.748 214 L CB -0.516 41.263 42.059 -0.467 0.000 0.891 214 L HN 0.302 nan 8.230 nan 0.000 0.431 215 G N -1.775 106.929 108.800 -0.159 0.000 2.211 215 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.201 215 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.201 215 G C 0.384 175.245 174.900 -0.066 0.000 0.997 215 G CA -0.023 45.026 45.100 -0.085 0.000 0.652 215 G HN 0.678 nan 8.290 nan 0.000 0.500 216 I N 0.831 121.333 120.570 -0.113 0.000 2.815 216 I HA 0.527 4.697 4.170 -0.000 0.000 0.291 216 I C 1.554 177.644 176.117 -0.044 0.000 1.209 216 I CA 0.919 62.177 61.300 -0.070 0.000 1.431 216 I CB 0.759 38.680 38.000 -0.132 0.000 1.351 216 I HN 0.255 nan 8.210 nan 0.000 0.585 217 T N 0.528 115.087 114.554 0.010 0.000 3.039 217 T HA 0.182 4.532 4.350 -0.000 0.000 0.250 217 T C 0.775 175.498 174.700 0.038 0.000 1.052 217 T CA 0.493 62.611 62.100 0.030 0.000 1.125 217 T CB -0.237 68.661 68.868 0.050 0.000 0.908 217 T HN 0.717 nan 8.240 nan 0.000 0.473 218 T N 2.024 116.603 114.554 0.042 0.000 2.848 218 T HA 0.650 5.000 4.350 -0.000 0.000 0.285 218 T C -0.962 173.769 174.700 0.053 0.000 0.995 218 T CA -0.558 61.568 62.100 0.043 0.000 0.970 218 T CB 2.225 71.122 68.868 0.048 0.000 0.976 218 T HN 0.062 nan 8.240 nan 0.000 0.441 219 V N 3.116 123.042 119.914 0.019 0.000 2.407 219 V HA 0.349 4.469 4.120 -0.000 0.000 0.278 219 V C 0.319 176.404 176.094 -0.015 0.000 1.037 219 V CA -0.496 61.821 62.300 0.028 0.000 0.900 219 V CB 1.394 33.191 31.823 -0.042 0.000 0.983 219 V HN 0.844 nan 8.190 nan 0.000 0.459 220 E N 5.208 125.399 120.200 -0.014 0.000 2.102 220 E HA 0.407 4.757 4.350 -0.000 0.000 0.263 220 E C -1.087 175.451 176.600 -0.103 0.000 0.894 220 E CA -0.537 55.831 56.400 -0.053 0.000 0.746 220 E CB 1.028 30.722 29.700 -0.010 0.000 1.129 220 E HN 0.584 nan 8.360 nan 0.000 0.416 221 L N 4.560 125.702 121.223 -0.135 0.000 2.349 221 L HA 0.307 4.647 4.340 -0.000 0.000 0.275 221 L C 0.734 177.461 176.870 -0.239 0.000 1.115 221 L CA -0.184 54.548 54.840 -0.179 0.000 0.820 221 L CB 0.767 42.749 42.059 -0.129 0.000 1.135 221 L HN 0.489 nan 8.230 nan 0.000 0.445 222 M N 3.358 122.767 119.600 -0.317 0.000 2.228 222 M HA 0.242 4.722 4.480 -0.000 0.000 0.326 222 M C -2.032 174.000 176.300 -0.446 0.000 1.122 222 M CA -1.521 53.526 55.300 -0.421 0.000 1.161 222 M CB 0.270 32.595 32.600 -0.458 0.000 1.437 222 M HN 0.259 nan 8.290 nan 0.000 0.465 223 P HA -0.135 nan 4.420 nan 0.000 0.257 223 P C 0.343 177.585 177.300 -0.098 0.000 1.144 223 P CA 0.445 63.248 63.100 -0.496 0.000 0.761 223 P CB 0.076 31.343 31.700 -0.720 0.000 0.734 224 V N 1.530 121.381 119.914 -0.104 0.000 3.645 224 V HA 0.225 4.345 4.120 -0.000 0.000 0.275 224 V C 0.585 176.834 176.094 0.260 0.000 1.356 224 V CA 0.194 62.616 62.300 0.202 0.000 1.051 224 V CB -0.743 31.194 31.823 0.190 0.000 0.828 224 V HN 0.058 nan 8.190 nan 0.000 0.441 225 F N 2.107 122.038 119.950 -0.031 0.000 2.563 225 F HA 0.270 4.797 4.527 -0.000 0.000 0.363 225 F C 1.109 176.988 175.800 0.131 0.000 1.123 225 F CA -0.749 57.277 58.000 0.043 0.000 1.307 225 F CB -0.553 38.423 39.000 -0.040 0.000 1.115 225 F HN 0.220 nan 8.300 nan 0.000 0.592 226 H N 5.085 124.260 119.070 0.175 0.000 3.138 226 H HA 0.080 4.636 4.556 -0.000 0.000 0.275 226 H C -0.524 174.782 175.328 -0.036 0.000 0.997 226 H CA 0.032 56.042 56.048 -0.062 0.000 1.460 226 H CB -0.215 29.498 29.762 -0.082 0.000 1.524 226 H HN 0.456 nan 8.280 nan 0.000 0.532 227 F N 4.092 123.974 119.950 -0.113 0.000 2.525 227 F HA 0.643 5.170 4.527 -0.000 0.000 0.346 227 F C -0.691 175.080 175.800 -0.050 0.000 1.072 227 F CA -1.442 56.539 58.000 -0.030 0.000 1.033 227 F CB 0.863 39.863 39.000 0.000 0.000 1.324 227 F HN 0.199 nan 8.300 nan 0.000 0.491 228 I N 0.827 121.612 120.570 0.359 0.000 2.582 228 I HA 0.197 4.367 4.170 -0.000 0.000 0.292 228 I C -1.164 175.162 176.117 0.349 0.000 1.066 228 I CA -0.891 60.557 61.300 0.247 0.000 1.053 228 I CB 1.900 40.017 38.000 0.196 0.000 1.241 228 I HN 0.563 nan 8.210 nan 0.000 0.421 229 D N 6.403 126.996 120.400 0.321 0.000 2.351 229 D HA 0.129 4.769 4.640 -0.000 0.000 0.251 229 D C -0.299 176.191 176.300 0.316 0.000 1.137 229 D CA -0.246 53.924 54.000 0.283 0.000 0.879 229 D CB 1.066 42.004 40.800 0.230 0.000 1.181 229 D HN 0.382 nan 8.370 nan 0.000 0.448 230 Q N 1.625 121.416 119.800 -0.015 0.000 2.364 230 Q HA 0.040 4.380 4.340 -0.000 0.000 0.267 230 Q C 1.478 177.093 176.000 -0.641 0.000 0.999 230 Q CA -0.107 55.488 55.803 -0.346 0.000 0.886 230 Q CB 1.073 29.280 28.738 -0.885 0.000 1.243 230 Q HN 0.240 nan 8.270 nan 0.000 0.415 231 R N 1.495 121.400 120.500 -0.993 0.000 2.112 231 R HA -0.204 4.136 4.340 -0.000 0.000 0.242 231 R C 1.888 177.900 176.300 -0.480 0.000 1.137 231 R CA 2.207 57.682 56.100 -1.042 0.000 0.944 231 R CB -0.601 29.142 30.300 -0.927 0.000 0.857 231 R HN 0.860 nan 8.270 nan 0.000 0.435 232 F N -0.620 119.197 119.950 -0.222 0.000 2.494 232 F HA -0.045 4.482 4.527 -0.000 0.000 0.298 232 F C 1.785 177.543 175.800 -0.070 0.000 1.106 232 F CA 0.635 58.570 58.000 -0.108 0.000 1.452 232 F CB -0.479 38.505 39.000 -0.027 0.000 1.085 232 F HN -0.077 nan 8.300 nan 0.000 0.569 233 L N 0.524 121.428 121.223 -0.532 0.000 2.202 233 L HA -0.034 4.306 4.340 -0.000 0.000 0.205 233 L C 2.652 179.417 176.870 -0.174 0.000 1.083 233 L CA 1.300 55.959 54.840 -0.303 0.000 0.790 233 L CB -0.730 41.102 42.059 -0.379 0.000 0.942 233 L HN 0.344 nan 8.230 nan 0.000 0.452 234 T N -4.562 109.888 114.554 -0.172 0.000 2.978 234 T HA -0.089 4.261 4.350 -0.000 0.000 0.262 234 T C 1.394 176.058 174.700 -0.060 0.000 1.063 234 T CA 0.640 62.700 62.100 -0.067 0.000 1.140 234 T CB -0.279 68.611 68.868 0.037 0.000 0.886 234 T HN 0.086 nan 8.240 nan 0.000 0.470 235 D N 2.129 122.476 120.400 -0.088 0.000 2.228 235 D HA -0.058 4.582 4.640 -0.000 0.000 0.203 235 D C 1.674 177.941 176.300 -0.054 0.000 0.988 235 D CA 1.032 54.996 54.000 -0.059 0.000 0.864 235 D CB -0.115 40.651 40.800 -0.056 0.000 0.928 235 D HN 0.536 nan 8.370 nan 0.000 0.469 236 K N -0.799 119.560 120.400 -0.070 0.000 2.372 236 K HA 0.270 4.590 4.320 -0.000 0.000 0.200 236 K C 0.966 177.518 176.600 -0.080 0.000 1.022 236 K CA 0.334 56.571 56.287 -0.084 0.000 1.125 236 K CB 1.007 33.436 32.500 -0.120 0.000 0.855 236 K HN 0.053 nan 8.250 nan 0.000 0.524 237 G N 1.725 110.488 108.800 -0.061 0.000 2.176 237 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.252 237 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.252 237 G C -0.315 174.548 174.900 -0.062 0.000 1.024 237 G CA 0.017 45.088 45.100 -0.048 0.000 0.755 237 G HN 0.118 nan 8.290 nan 0.000 0.507 238 L N 0.545 121.719 121.223 -0.081 0.000 2.354 238 L HA 0.812 5.152 4.340 -0.000 0.000 0.269 238 L C 0.840 177.667 176.870 -0.072 0.000 1.005 238 L CA -0.306 54.472 54.840 -0.103 0.000 0.819 238 L CB 2.196 44.157 42.059 -0.163 0.000 1.311 238 L HN 0.308 nan 8.230 nan 0.000 0.423 239 T N -2.467 112.063 114.554 -0.040 0.000 2.923 239 T HA 0.288 4.638 4.350 -0.000 0.000 0.281 239 T C -0.084 174.621 174.700 0.010 0.000 0.995 239 T CA -0.823 61.296 62.100 0.031 0.000 0.985 239 T CB 0.881 69.824 68.868 0.126 0.000 1.114 239 T HN 0.544 nan 8.240 nan 0.000 0.548 240 N N 0.491 119.251 118.700 0.100 0.000 2.448 240 N HA 0.099 4.839 4.740 -0.000 0.000 0.250 240 N C 0.079 175.708 175.510 0.198 0.000 1.136 240 N CA -0.417 52.699 53.050 0.110 0.000 0.953 240 N CB 0.130 38.715 38.487 0.163 0.000 1.251 240 N HN 0.666 nan 8.380 nan 0.000 0.502 241 Y N 5.180 125.512 120.300 0.053 0.000 2.114 241 Y HA 0.028 4.578 4.550 0.000 0.000 0.284 241 Y C 0.138 176.305 175.900 0.445 0.000 1.119 241 Y CA 0.980 59.203 58.100 0.205 0.000 1.108 241 Y CB -0.078 38.412 38.460 0.050 0.000 0.995 241 Y HN 0.440 nan 8.280 nan 0.000 0.491 242 W N 1.191 122.534 121.300 0.072 0.000 2.209 242 W HA 0.311 4.971 4.660 -0.000 0.000 0.344 242 W C 1.109 177.391 176.519 -0.395 0.000 1.285 242 W CA -0.239 57.102 57.345 -0.007 0.000 1.267 242 W CB -0.099 29.583 29.460 0.369 0.000 1.167 242 W HN 0.264 nan 8.180 nan 0.000 0.574 243 G N 1.935 110.354 108.800 -0.636 0.000 4.294 243 G HA2 0.193 4.153 3.960 -0.000 0.000 0.301 243 G HA3 0.193 4.153 3.960 -0.000 0.000 0.301 243 G C -0.491 173.951 174.900 -0.763 0.000 1.321 243 G CA -0.358 43.893 45.100 -1.416 0.000 1.190 243 G HN 0.460 nan 8.290 nan 0.000 0.600 244 Y N 0.348 120.564 120.300 -0.141 0.000 2.740 244 Y HA 0.232 4.782 4.550 -0.000 0.000 0.356 244 Y C 0.022 176.019 175.900 0.162 0.000 1.101 244 Y CA -0.438 57.682 58.100 0.033 0.000 1.477 244 Y CB 0.387 38.925 38.460 0.131 0.000 1.296 244 Y HN 0.196 nan 8.280 nan 0.000 0.507 245 D N 0.503 121.037 120.400 0.224 0.000 2.552 245 D HA 0.142 4.782 4.640 -0.000 0.000 0.285 245 D C -2.776 173.671 176.300 0.245 0.000 1.206 245 D CA -1.399 52.791 54.000 0.318 0.000 0.826 245 D CB 0.901 41.924 40.800 0.371 0.000 1.179 245 D HN -0.033 nan 8.370 nan 0.000 0.508 246 P HA 0.031 nan 4.420 nan 0.000 0.268 246 P C 0.316 177.616 177.300 0.000 0.000 1.205 246 P CA -0.395 62.758 63.100 0.089 0.000 0.771 246 P CB 1.633 33.363 31.700 0.051 0.000 0.858 247 I N 1.146 121.708 120.570 -0.012 0.000 4.181 247 I HA 0.265 4.435 4.170 -0.000 0.000 0.331 247 I C -0.047 175.981 176.117 -0.148 0.000 1.312 247 I CA 0.177 61.472 61.300 -0.007 0.000 1.146 247 I CB -0.039 37.981 38.000 0.033 0.000 1.074 247 I HN 0.351 nan 8.210 nan 0.000 0.402 248 N N -0.504 118.015 118.700 -0.300 0.000 2.371 248 N HA 0.113 4.853 4.740 -0.000 0.000 0.280 248 N C -0.924 174.281 175.510 -0.509 0.000 1.084 248 N CA -0.301 52.556 53.050 -0.322 0.000 0.892 248 N CB 1.014 39.407 38.487 -0.157 0.000 1.653 248 N HN -0.126 nan 8.380 nan 0.000 0.480 249 F N 1.885 121.712 119.950 -0.205 0.000 2.693 249 F HA 0.394 4.921 4.527 -0.000 0.000 0.303 249 F C 0.643 175.815 175.800 -1.047 0.000 1.097 249 F CA -0.094 57.364 58.000 -0.904 0.000 1.330 249 F CB 0.040 38.603 39.000 -0.729 0.000 1.067 249 F HN 0.392 nan 8.300 nan 0.000 0.565 250 F N -1.637 118.225 119.950 -0.146 0.000 2.767 250 F HA 0.247 4.774 4.527 -0.000 0.000 0.323 250 F C 0.660 176.392 175.800 -0.113 0.000 1.091 250 F CA -0.207 57.685 58.000 -0.181 0.000 1.192 250 F CB 0.130 38.823 39.000 -0.512 0.000 1.056 250 F HN -0.382 nan 8.300 nan 0.000 0.571 251 S N 3.236 119.069 115.700 0.221 0.000 2.437 251 S HA 0.392 4.862 4.470 -0.000 0.000 0.305 251 S C -2.621 172.213 174.600 0.389 0.000 1.109 251 S CA -1.421 56.892 58.200 0.189 0.000 1.099 251 S CB 1.251 64.480 63.200 0.048 0.000 1.004 251 S HN -0.177 nan 8.310 nan 0.000 0.475 252 P HA 0.085 nan 4.420 nan 0.000 0.268 252 P C -0.220 177.310 177.300 0.382 0.000 1.204 252 P CA -0.254 63.064 63.100 0.364 0.000 0.768 252 P CB 0.324 32.096 31.700 0.119 0.000 0.842 253 E N 2.496 122.918 120.200 0.370 0.000 2.558 253 E HA -0.105 4.245 4.350 -0.000 0.000 0.255 253 E C 1.075 177.693 176.600 0.031 0.000 0.968 253 E CA 0.090 56.496 56.400 0.011 0.000 0.939 253 E CB -0.242 29.314 29.700 -0.241 0.000 0.921 253 E HN 0.489 nan 8.360 nan 0.000 0.477 254 c N 5.883 124.444 118.600 -0.065 0.000 2.435 254 c HA 0.029 4.599 4.570 -0.000 0.000 0.279 254 c C 2.367 176.370 174.090 -0.144 0.000 1.321 254 c CA 1.036 57.369 56.329 0.006 0.000 1.752 254 c CB -0.792 41.784 42.510 0.111 0.000 1.959 254 c HN 0.989 nan 8.230 nan 0.000 0.500 255 R N -1.056 119.214 120.500 -0.385 0.000 2.159 255 R HA -0.121 4.219 4.340 -0.000 0.000 0.237 255 R C 1.035 177.171 176.300 -0.274 0.000 1.131 255 R CA 1.736 57.607 56.100 -0.381 0.000 0.982 255 R CB -0.293 29.665 30.300 -0.570 0.000 0.868 255 R HN 0.718 nan 8.270 nan 0.000 0.453 256 Y N -0.916 119.249 120.300 -0.224 0.000 2.493 256 Y HA 0.290 4.840 4.550 -0.000 0.000 0.275 256 Y C 0.372 175.919 175.900 -0.589 0.000 1.183 256 Y CA -0.472 57.342 58.100 -0.477 0.000 1.258 256 Y CB 0.207 38.186 38.460 -0.801 0.000 1.108 256 Y HN -0.139 nan 8.280 nan 0.000 0.521 257 S N 0.292 115.918 115.700 -0.125 0.000 2.513 257 S HA 0.227 4.697 4.470 -0.000 0.000 0.276 257 S C 1.262 175.873 174.600 0.019 0.000 1.254 257 S CA 0.035 58.255 58.200 0.033 0.000 1.053 257 S CB 0.617 63.898 63.200 0.135 0.000 0.958 257 S HN 0.430 nan 8.310 nan 0.000 0.491 258 S N 2.248 117.974 115.700 0.044 0.000 2.503 258 S HA 0.004 4.474 4.470 -0.000 0.000 0.217 258 S C 1.116 175.737 174.600 0.034 0.000 0.999 258 S CA 0.568 58.783 58.200 0.025 0.000 0.914 258 S CB -0.212 63.001 63.200 0.022 0.000 0.782 258 S HN 0.797 nan 8.310 nan 0.000 0.520 259 T N -1.136 113.454 114.554 0.060 0.000 3.293 259 T HA 0.597 4.947 4.350 -0.000 0.000 0.276 259 T C 0.845 175.574 174.700 0.049 0.000 1.003 259 T CA 0.077 62.208 62.100 0.051 0.000 0.916 259 T CB -0.307 68.598 68.868 0.062 0.000 1.134 259 T HN 1.178 nan 8.240 nan 0.000 0.530 260 G N 0.038 108.862 108.800 0.041 0.000 2.829 260 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.628 260 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.628 260 G C 0.001 174.929 174.900 0.046 0.000 1.412 260 G CA -0.522 44.597 45.100 0.031 0.000 0.864 260 G HN 0.696 nan 8.290 nan 0.000 0.544 261 c N 0.429 119.046 118.600 0.028 0.000 2.660 261 c HA 0.497 5.067 4.570 -0.000 0.000 0.265 261 c C 1.253 175.351 174.090 0.013 0.000 1.573 261 c CA -0.141 56.207 56.329 0.032 0.000 1.751 261 c CB -1.590 40.931 42.510 0.019 0.000 3.033 261 c HN 0.511 nan 8.230 nan 0.000 0.511 262 L N 0.355 121.588 121.223 0.017 0.000 3.218 262 L HA 0.488 4.828 4.340 -0.000 0.000 0.279 262 L C 1.412 178.292 176.870 0.017 0.000 1.287 262 L CA 0.501 55.346 54.840 0.008 0.000 1.024 262 L CB 0.055 42.113 42.059 -0.002 0.000 1.409 262 L HN 0.450 nan 8.230 nan 0.000 0.580 263 G N -0.827 107.995 108.800 0.036 0.000 2.624 263 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.190 263 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.190 263 G C 0.984 175.925 174.900 0.069 0.000 1.008 263 G CA -0.111 45.017 45.100 0.047 0.000 0.731 263 G HN 0.328 nan 8.290 nan 0.000 0.478 264 G N 1.151 109.994 108.800 0.071 0.000 2.432 264 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.219 264 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.219 264 G C 1.731 176.719 174.900 0.148 0.000 1.135 264 G CA 1.988 47.144 45.100 0.092 0.000 0.767 264 G HN 0.796 nan 8.290 nan 0.000 0.550 265 Q N 0.652 120.558 119.800 0.176 0.000 2.123 265 Q HA -0.019 4.321 4.340 -0.000 0.000 0.199 265 Q C 2.463 178.602 176.000 0.232 0.000 0.966 265 Q CA 1.593 57.574 55.803 0.296 0.000 0.845 265 Q CB -0.907 28.020 28.738 0.314 0.000 0.907 265 Q HN 0.356 nan 8.270 nan 0.000 0.439 266 V N 1.730 121.725 119.914 0.135 0.000 2.307 266 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 266 V C 2.537 178.662 176.094 0.052 0.000 1.045 266 V CA 1.566 63.912 62.300 0.076 0.000 1.024 266 V CB -0.791 31.070 31.823 0.062 0.000 0.651 266 V HN 0.233 nan 8.190 nan 0.000 0.449 267 L N 0.642 121.904 121.223 0.064 0.000 2.056 267 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 267 L C 2.704 179.586 176.870 0.020 0.000 1.078 267 L CA 1.923 56.785 54.840 0.036 0.000 0.749 267 L CB -0.258 41.856 42.059 0.092 0.000 0.901 267 L HN 0.540 nan 8.230 nan 0.000 0.433 268 S N -0.700 115.066 115.700 0.110 0.000 2.368 268 S HA -0.250 4.220 4.470 -0.000 0.000 0.224 268 S C 1.906 176.556 174.600 0.083 0.000 1.029 268 S CA 1.231 59.515 58.200 0.141 0.000 0.988 268 S CB -1.106 62.252 63.200 0.264 0.000 0.838 268 S HN 0.455 nan 8.310 nan 0.000 0.462 269 F N 2.696 122.584 119.950 -0.103 0.000 2.069 269 F HA -0.087 4.440 4.527 -0.000 0.000 0.298 269 F C 2.385 178.050 175.800 -0.224 0.000 1.113 269 F CA 1.744 59.565 58.000 -0.300 0.000 1.214 269 F CB -0.281 38.475 39.000 -0.407 0.000 0.978 269 F HN 0.045 nan 8.300 nan 0.000 0.474 270 K N 0.002 120.352 120.400 -0.084 0.000 2.074 270 K HA -0.262 4.058 4.320 -0.000 0.000 0.209 270 K C 2.032 178.143 176.600 -0.814 0.000 1.048 270 K CA 1.815 57.763 56.287 -0.564 0.000 0.926 270 K CB -0.229 31.543 32.500 -1.214 0.000 0.713 270 K HN 0.058 nan 8.250 nan 0.000 0.444 271 K N 1.284 121.396 120.400 -0.480 0.000 1.973 271 K HA -0.131 4.189 4.320 -0.000 0.000 0.212 271 K C 2.014 178.535 176.600 -0.131 0.000 1.047 271 K CA 1.772 57.966 56.287 -0.154 0.000 0.937 271 K CB -0.366 32.138 32.500 0.005 0.000 0.721 271 K HN 0.088 nan 8.250 nan 0.000 0.440 272 M N 0.124 119.634 119.600 -0.150 0.000 2.103 272 M HA -0.243 4.237 4.480 -0.000 0.000 0.255 272 M C 1.749 177.900 176.300 -0.249 0.000 1.074 272 M CA 2.162 57.356 55.300 -0.177 0.000 1.090 272 M CB -0.288 32.190 32.600 -0.203 0.000 1.325 272 M HN 0.100 nan 8.290 nan 0.000 0.403 273 V N 1.290 121.003 119.914 -0.335 0.000 2.295 273 V HA -0.295 3.825 4.120 -0.000 0.000 0.246 273 V C 2.182 178.166 176.094 -0.184 0.000 1.049 273 V CA 2.390 64.494 62.300 -0.327 0.000 1.024 273 V CB -1.195 30.504 31.823 -0.207 0.000 0.648 273 V HN 0.648 nan 8.190 nan 0.000 0.447 274 N N 0.154 118.914 118.700 0.101 0.000 2.069 274 N HA -0.208 4.532 4.740 -0.000 0.000 0.191 274 N C 1.795 177.360 175.510 0.091 0.000 1.031 274 N CA 1.732 54.943 53.050 0.267 0.000 0.852 274 N CB -0.138 38.532 38.487 0.306 0.000 1.018 274 N HN 0.473 nan 8.380 nan 0.000 0.423 275 E N 0.559 120.761 120.200 0.003 0.000 2.038 275 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 275 E C 2.239 178.792 176.600 -0.080 0.000 1.000 275 E CA 0.955 57.340 56.400 -0.025 0.000 0.803 275 E CB -0.710 28.969 29.700 -0.035 0.000 0.750 275 E HN 0.468 nan 8.360 nan 0.000 0.448 276 L N 0.768 121.890 121.223 -0.168 0.000 2.013 276 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 276 L C 2.705 179.380 176.870 -0.324 0.000 1.073 276 L CA 1.370 56.063 54.840 -0.245 0.000 0.753 276 L CB -0.615 41.244 42.059 -0.333 0.000 0.890 276 L HN 0.200 nan 8.230 nan 0.000 0.432 277 H N -0.071 118.782 119.070 -0.361 0.000 2.319 277 H HA -0.125 4.431 4.556 -0.000 0.000 0.299 277 H C 2.155 177.185 175.328 -0.497 0.000 1.092 277 H CA 1.432 57.032 56.048 -0.746 0.000 1.302 277 H CB -0.431 29.053 29.762 -0.463 0.000 1.373 277 H HN 0.361 nan 8.280 nan 0.000 0.497 278 N N 0.693 119.366 118.700 -0.045 0.000 2.289 278 N HA -0.072 4.668 4.740 -0.000 0.000 0.184 278 N C 1.719 177.231 175.510 0.002 0.000 1.016 278 N CA 0.954 54.017 53.050 0.022 0.000 0.872 278 N CB -0.187 38.331 38.487 0.050 0.000 0.973 278 N HN 0.322 nan 8.380 nan 0.000 0.433 279 A N -0.151 122.639 122.820 -0.050 0.000 2.238 279 A HA 0.388 4.708 4.320 -0.000 0.000 0.208 279 A C 1.442 179.018 177.584 -0.013 0.000 1.177 279 A CA 0.749 52.769 52.037 -0.030 0.000 0.804 279 A CB -0.345 18.628 19.000 -0.045 0.000 0.823 279 A HN 0.299 nan 8.150 nan 0.000 0.482 280 G N -1.151 107.633 108.800 -0.027 0.000 2.137 280 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.237 280 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.237 280 G C -0.063 174.895 174.900 0.098 0.000 1.002 280 G CA 0.323 45.511 45.100 0.147 0.000 0.702 280 G HN 0.458 nan 8.290 nan 0.000 0.515 281 I N 0.763 121.245 120.570 -0.146 0.000 2.406 281 I HA 0.376 4.546 4.170 -0.000 0.000 0.290 281 I C 0.456 176.497 176.117 -0.127 0.000 0.999 281 I CA -0.744 60.507 61.300 -0.082 0.000 1.124 281 I CB 1.570 39.504 38.000 -0.109 0.000 1.289 281 I HN 0.091 nan 8.210 nan 0.000 0.441 282 E N 4.338 124.581 120.200 0.072 0.000 2.349 282 E HA 0.408 4.758 4.350 -0.000 0.000 0.265 282 E C -1.110 175.483 176.600 -0.011 0.000 1.064 282 E CA -0.517 55.966 56.400 0.137 0.000 0.886 282 E CB 1.861 31.687 29.700 0.210 0.000 1.036 282 E HN 0.247 nan 8.360 nan 0.000 0.413 283 V N 4.646 124.550 119.914 -0.017 0.000 2.378 283 V HA 0.278 4.398 4.120 -0.000 0.000 0.288 283 V C -0.218 175.824 176.094 -0.086 0.000 1.016 283 V CA -0.654 61.590 62.300 -0.092 0.000 0.840 283 V CB 0.934 32.659 31.823 -0.165 0.000 0.994 283 V HN 0.491 nan 8.190 nan 0.000 0.431 284 I N 6.185 126.694 120.570 -0.102 0.000 2.412 284 I HA 0.542 4.712 4.170 -0.000 0.000 0.296 284 I C -0.033 175.976 176.117 -0.181 0.000 0.987 284 I CA -0.432 60.773 61.300 -0.159 0.000 1.180 284 I CB 1.900 39.841 38.000 -0.098 0.000 1.340 284 I HN 0.609 nan 8.210 nan 0.000 0.455 285 I N 1.054 121.462 120.570 -0.270 0.000 2.441 285 I HA 0.492 4.662 4.170 -0.000 0.000 0.295 285 I C -0.159 175.772 176.117 -0.310 0.000 0.994 285 I CA -0.694 60.441 61.300 -0.276 0.000 1.144 285 I CB 2.023 39.828 38.000 -0.326 0.000 1.314 285 I HN 0.355 nan 8.210 nan 0.000 0.445 286 D N 5.881 126.078 120.400 -0.337 0.000 2.343 286 D HA 0.325 4.965 4.640 -0.000 0.000 0.255 286 D C -0.597 175.379 176.300 -0.541 0.000 1.187 286 D CA 0.083 53.872 54.000 -0.352 0.000 0.875 286 D CB 1.605 42.215 40.800 -0.318 0.000 1.136 286 D HN 0.567 nan 8.370 nan 0.000 0.469 287 V N 1.569 121.172 119.914 -0.519 0.000 2.735 287 V HA 0.646 4.766 4.120 -0.000 0.000 0.310 287 V C -0.504 175.320 176.094 -0.449 0.000 1.061 287 V CA -0.853 60.997 62.300 -0.750 0.000 0.913 287 V CB 1.872 33.238 31.823 -0.762 0.000 1.005 287 V HN 0.190 nan 8.190 nan 0.000 0.428 288 V N 5.266 124.904 119.914 -0.459 0.000 2.357 288 V HA 0.465 4.585 4.120 -0.000 0.000 0.284 288 V C -0.411 175.533 176.094 -0.250 0.000 1.018 288 V CA 0.015 62.207 62.300 -0.180 0.000 0.841 288 V CB 0.967 32.750 31.823 -0.067 0.000 0.991 288 V HN 0.986 nan 8.190 nan 0.000 0.437 289 Y N 2.397 122.737 120.300 0.066 0.000 2.471 289 Y HA 0.066 4.616 4.550 0.000 0.000 0.249 289 Y C 1.951 177.815 175.900 -0.061 0.000 1.116 289 Y CA -0.119 57.928 58.100 -0.088 0.000 1.240 289 Y CB 0.402 38.761 38.460 -0.168 0.000 1.251 289 Y HN 0.775 nan 8.280 nan 0.000 0.527 290 N N 0.246 119.026 118.700 0.132 0.000 2.446 290 N HA -0.034 4.705 4.740 -0.000 0.000 0.179 290 N C 0.050 175.711 175.510 0.252 0.000 1.054 290 N CA 0.880 54.017 53.050 0.144 0.000 0.905 290 N CB -0.207 38.377 38.487 0.162 0.000 0.973 290 N HN 0.461 nan 8.380 nan 0.000 0.448 291 H N -3.895 115.298 119.070 0.205 0.000 3.014 291 H HA 0.572 5.128 4.556 -0.000 0.000 0.337 291 H C -1.109 174.380 175.328 0.269 0.000 1.320 291 H CA -0.797 55.388 56.048 0.228 0.000 1.128 291 H CB 0.684 30.561 29.762 0.191 0.000 1.862 291 H HN 0.058 nan 8.280 nan 0.000 0.536 292 T N -1.803 112.963 114.554 0.352 0.000 2.949 292 T HA 0.642 4.992 4.350 -0.000 0.000 0.287 292 T C 1.137 176.076 174.700 0.398 0.000 1.034 292 T CA -0.520 61.748 62.100 0.280 0.000 1.018 292 T CB 1.652 70.668 68.868 0.246 0.000 1.135 292 T HN 1.014 nan 8.240 nan 0.000 0.532 293 A N -0.058 122.946 122.820 0.306 0.000 2.121 293 A HA 0.051 4.371 4.320 -0.000 0.000 0.218 293 A C 1.994 179.736 177.584 0.263 0.000 1.154 293 A CA 0.989 53.211 52.037 0.308 0.000 0.679 293 A CB -0.976 18.179 19.000 0.258 0.000 0.795 293 A HN 0.960 nan 8.150 nan 0.000 0.458 294 E N -0.609 119.739 120.200 0.245 0.000 2.267 294 E HA 0.117 4.467 4.350 -0.000 0.000 0.197 294 E C 1.417 178.057 176.600 0.067 0.000 0.998 294 E CA 0.263 56.763 56.400 0.167 0.000 0.830 294 E CB -0.277 29.544 29.700 0.202 0.000 0.751 294 E HN 0.726 nan 8.360 nan 0.000 0.491 295 G N 1.713 110.550 108.800 0.063 0.000 2.539 295 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.256 295 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.256 295 G C 0.014 174.762 174.900 -0.253 0.000 1.233 295 G CA 0.055 45.145 45.100 -0.017 0.000 0.936 295 G HN 0.364 nan 8.290 nan 0.000 0.571 296 N N 1.095 119.665 118.700 -0.217 0.000 2.514 296 N HA 0.374 5.114 4.740 -0.000 0.000 0.299 296 N C 0.925 176.224 175.510 -0.351 0.000 1.292 296 N CA 0.230 53.095 53.050 -0.309 0.000 0.963 296 N CB -0.587 37.932 38.487 0.053 0.000 1.124 296 N HN 1.175 nan 8.380 nan 0.000 0.580 297 H N -1.663 117.368 119.070 -0.064 0.000 2.983 297 H HA 0.049 4.605 4.556 -0.000 0.000 0.361 297 H C 0.638 175.970 175.328 0.007 0.000 1.145 297 H CA 0.041 56.156 56.048 0.111 0.000 1.404 297 H CB 0.257 30.145 29.762 0.210 0.000 1.356 297 H HN 0.545 nan 8.280 nan 0.000 0.612 298 L N -0.314 120.712 121.223 -0.328 0.000 3.395 298 L HA -0.198 4.142 4.340 -0.000 0.000 0.399 298 L C 1.416 178.449 176.870 0.271 0.000 0.701 298 L CA 2.129 56.812 54.840 -0.262 0.000 2.975 298 L CB -1.779 39.988 42.059 -0.487 0.000 0.774 298 L HN 1.136 nan 8.230 nan 0.000 0.717 299 G N 0.354 109.269 108.800 0.191 0.000 2.634 299 G HA2 0.462 4.422 3.960 -0.000 0.000 0.255 299 G HA3 0.462 4.422 3.960 -0.000 0.000 0.255 299 G C -2.358 172.850 174.900 0.513 0.000 1.205 299 G CA -0.238 45.082 45.100 0.367 0.000 0.884 299 G HN 0.226 nan 8.290 nan 0.000 0.549 300 P HA 0.132 nan 4.420 nan 0.000 0.269 300 P C -0.310 177.013 177.300 0.038 0.000 1.215 300 P CA 0.056 63.091 63.100 -0.108 0.000 0.780 300 P CB 0.743 32.310 31.700 -0.221 0.000 0.898 301 T N 3.135 117.689 114.554 -0.001 0.000 3.016 301 T HA 0.298 4.648 4.350 -0.000 0.000 0.335 301 T C 1.171 175.842 174.700 -0.048 0.000 1.176 301 T CA -0.157 61.965 62.100 0.037 0.000 0.987 301 T CB -0.466 68.452 68.868 0.084 0.000 1.073 301 T HN 0.267 nan 8.240 nan 0.000 0.547 302 L N 0.884 122.074 121.223 -0.054 0.000 2.577 302 L HA 0.316 4.656 4.340 -0.000 0.000 0.225 302 L C 1.762 178.540 176.870 -0.154 0.000 1.053 302 L CA 0.037 54.803 54.840 -0.123 0.000 0.866 302 L CB 0.152 42.124 42.059 -0.144 0.000 1.132 302 L HN 0.560 nan 8.230 nan 0.000 0.486 303 S N -1.117 114.489 115.700 -0.157 0.000 4.569 303 S HA 0.179 4.649 4.470 -0.000 0.000 0.161 303 S C 1.240 175.657 174.600 -0.305 0.000 1.104 303 S CA -0.219 57.769 58.200 -0.354 0.000 1.153 303 S CB -0.816 61.963 63.200 -0.703 0.000 2.018 303 S HN 0.074 nan 8.310 nan 0.000 0.800 304 F N 2.820 122.686 119.950 -0.140 0.000 2.063 304 F HA -0.063 4.464 4.527 -0.000 0.000 0.298 304 F C 2.688 178.524 175.800 0.060 0.000 1.109 304 F CA 2.063 59.883 58.000 -0.298 0.000 1.212 304 F CB -0.663 38.011 39.000 -0.543 0.000 0.973 304 F HN 0.355 nan 8.300 nan 0.000 0.480 305 R N 0.857 121.647 120.500 0.483 0.000 2.117 305 R HA -0.136 4.204 4.340 -0.000 0.000 0.243 305 R C 2.352 178.741 176.300 0.148 0.000 1.143 305 R CA 1.737 58.084 56.100 0.411 0.000 0.968 305 R CB -0.948 29.553 30.300 0.334 0.000 0.863 305 R HN 0.382 nan 8.270 nan 0.000 0.444 306 G N 0.234 109.086 108.800 0.087 0.000 2.408 306 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.215 306 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.215 306 G C 1.340 176.255 174.900 0.024 0.000 1.156 306 G CA 0.676 45.795 45.100 0.031 0.000 0.793 306 G HN 0.266 nan 8.290 nan 0.000 0.535 307 I N 0.049 120.652 120.570 0.055 0.000 2.233 307 I HA 0.057 4.227 4.170 -0.000 0.000 0.243 307 I C 0.276 176.507 176.117 0.191 0.000 1.093 307 I CA 1.135 62.508 61.300 0.121 0.000 1.380 307 I CB 0.279 38.361 38.000 0.136 0.000 1.067 307 I HN 0.038 nan 8.210 nan 0.000 0.413 308 D N -1.302 119.220 120.400 0.203 0.000 2.266 308 D HA 0.010 4.650 4.640 -0.000 0.000 0.218 308 D C 0.043 176.471 176.300 0.214 0.000 1.311 308 D CA -0.176 53.888 54.000 0.106 0.000 0.918 308 D CB -0.030 40.836 40.800 0.110 0.000 1.530 308 D HN -0.100 nan 8.370 nan 0.000 0.514 309 N N 1.334 120.061 118.700 0.045 0.000 2.142 309 N HA -0.121 4.619 4.740 -0.000 0.000 0.186 309 N C 1.382 177.051 175.510 0.265 0.000 1.023 309 N CA 2.199 55.414 53.050 0.276 0.000 0.852 309 N CB 0.325 38.887 38.487 0.126 0.000 0.998 309 N HN 0.289 nan 8.380 nan 0.000 0.424 310 T N 0.194 114.819 114.554 0.119 0.000 2.674 310 T HA 0.060 4.410 4.350 -0.000 0.000 0.265 310 T C 0.843 175.609 174.700 0.110 0.000 1.039 310 T CA 1.132 63.297 62.100 0.108 0.000 1.150 310 T CB -0.546 68.382 68.868 0.101 0.000 0.864 310 T HN 0.463 nan 8.240 nan 0.000 0.427 311 A N -1.083 121.771 122.820 0.057 0.000 2.292 311 A HA 0.536 4.856 4.320 -0.000 0.000 0.265 311 A C 0.516 178.094 177.584 -0.011 0.000 1.133 311 A CA -0.042 51.933 52.037 -0.103 0.000 0.807 311 A CB -0.184 18.634 19.000 -0.302 0.000 1.102 311 A HN 0.685 nan 8.150 nan 0.000 0.502 312 Y N -3.334 116.928 120.300 -0.064 0.000 2.749 312 Y HA -0.336 4.214 4.550 0.000 0.000 0.482 312 Y C 0.124 175.799 175.900 -0.376 0.000 1.210 312 Y CA 2.117 60.069 58.100 -0.247 0.000 2.729 312 Y CB -1.464 36.821 38.460 -0.291 0.000 0.974 312 Y HN 0.644 nan 8.280 nan 0.000 0.548 313 Y N 0.825 121.307 120.300 0.303 0.000 2.409 313 Y HA 0.501 5.051 4.550 -0.000 0.000 0.339 313 Y C 0.303 176.318 175.900 0.192 0.000 1.033 313 Y CA -1.177 57.094 58.100 0.285 0.000 1.094 313 Y CB 1.090 39.812 38.460 0.437 0.000 1.210 313 Y HN -0.162 nan 8.280 nan 0.000 0.456 314 M N 4.647 124.497 119.600 0.417 0.000 2.220 314 M HA 0.144 4.624 4.480 -0.000 0.000 0.343 314 M C -1.308 175.116 176.300 0.206 0.000 1.470 314 M CA -0.184 55.284 55.300 0.281 0.000 1.161 314 M CB 0.024 32.811 32.600 0.312 0.000 1.737 314 M HN 0.344 nan 8.290 nan 0.000 0.464 315 L N 3.253 124.533 121.223 0.095 0.000 2.344 315 L HA 0.329 4.669 4.340 -0.000 0.000 0.272 315 L C 0.375 177.253 176.870 0.014 0.000 1.035 315 L CA -0.196 54.630 54.840 -0.023 0.000 0.807 315 L CB 1.410 43.412 42.059 -0.095 0.000 1.237 315 L HN 0.533 nan 8.230 nan 0.000 0.442 316 Q N 4.225 124.023 119.800 -0.003 0.000 2.281 316 Q HA 0.173 4.513 4.340 -0.000 0.000 0.267 316 Q C -2.065 173.940 176.000 0.009 0.000 1.053 316 Q CA -1.582 54.234 55.803 0.021 0.000 0.905 316 Q CB 0.563 29.334 28.738 0.055 0.000 1.195 316 Q HN 0.292 nan 8.270 nan 0.000 0.398 317 P HA -0.024 nan 4.420 nan 0.000 0.275 317 P C -0.335 176.971 177.300 0.009 0.000 1.228 317 P CA 0.150 63.257 63.100 0.011 0.000 0.786 317 P CB 0.848 32.559 31.700 0.018 0.000 0.927 318 D N -0.950 119.452 120.400 0.004 0.000 2.653 318 D HA -0.167 4.473 4.640 -0.000 0.000 0.184 318 D C 0.079 176.383 176.300 0.006 0.000 0.993 318 D CA 1.359 55.362 54.000 0.005 0.000 1.027 318 D CB -1.377 39.428 40.800 0.009 0.000 1.089 318 D HN 0.466 nan 8.370 nan 0.000 0.447 319 N N -0.015 118.689 118.700 0.007 0.000 2.751 319 N HA 0.138 4.878 4.740 -0.000 0.000 0.234 319 N C 0.145 175.611 175.510 -0.072 0.000 1.403 319 N CA -0.204 52.845 53.050 -0.003 0.000 0.747 319 N CB 0.554 39.106 38.487 0.110 0.000 1.326 319 N HN -0.038 nan 8.380 nan 0.000 0.532 320 K N 0.056 120.386 120.400 -0.116 0.000 2.574 320 K HA -0.027 4.293 4.320 -0.000 0.000 0.193 320 K C 1.597 178.021 176.600 -0.294 0.000 1.035 320 K CA 0.508 56.698 56.287 -0.163 0.000 0.982 320 K CB 0.229 32.660 32.500 -0.115 0.000 0.795 320 K HN 0.447 nan 8.250 nan 0.000 0.491 321 R N -0.406 119.847 120.500 -0.412 0.000 2.276 321 R HA -0.026 4.314 4.340 -0.000 0.000 0.203 321 R C -0.213 175.674 176.300 -0.689 0.000 1.017 321 R CA 0.543 56.295 56.100 -0.580 0.000 1.010 321 R CB -0.063 29.811 30.300 -0.710 0.000 0.900 321 R HN -0.010 nan 8.270 nan 0.000 0.469 322 Y N -0.001 120.149 120.300 -0.250 0.000 2.487 322 Y HA 0.391 4.941 4.550 -0.000 0.000 0.337 322 Y C -0.471 175.306 175.900 -0.204 0.000 1.076 322 Y CA -1.679 56.302 58.100 -0.198 0.000 1.115 322 Y CB 0.918 39.264 38.460 -0.190 0.000 1.235 322 Y HN -0.181 nan 8.280 nan 0.000 0.468 323 Y N 1.499 121.893 120.300 0.157 0.000 2.387 323 Y HA 0.462 5.012 4.550 0.000 0.000 0.336 323 Y C -0.177 175.776 175.900 0.088 0.000 1.067 323 Y CA -0.925 57.239 58.100 0.106 0.000 1.114 323 Y CB 1.024 39.522 38.460 0.062 0.000 1.208 323 Y HN 0.324 nan 8.280 nan 0.000 0.458 324 L N 3.331 124.684 121.223 0.217 0.000 2.416 324 L HA 0.156 4.496 4.340 -0.000 0.000 0.272 324 L C -0.325 176.625 176.870 0.135 0.000 1.161 324 L CA 0.291 55.195 54.840 0.106 0.000 0.845 324 L CB 0.314 42.443 42.059 0.118 0.000 1.119 324 L HN 0.606 nan 8.230 nan 0.000 0.464 325 D N 1.691 122.067 120.400 -0.039 0.000 2.549 325 D HA 0.256 4.896 4.640 -0.000 0.000 0.251 325 D C -0.105 176.109 176.300 -0.143 0.000 1.153 325 D CA -0.360 53.650 54.000 0.017 0.000 0.861 325 D CB 1.283 42.083 40.800 -0.001 0.000 1.207 325 D HN 0.219 nan 8.370 nan 0.000 0.543 326 F N 0.716 120.705 119.950 0.065 0.000 2.717 326 F HA 0.052 4.579 4.527 -0.000 0.000 0.295 326 F C 2.368 178.186 175.800 0.031 0.000 1.117 326 F CA 0.450 58.477 58.000 0.045 0.000 1.361 326 F CB 0.469 39.497 39.000 0.047 0.000 1.112 326 F HN 0.373 nan 8.300 nan 0.000 0.594 327 T N -4.393 110.276 114.554 0.192 0.000 2.990 327 T HA 0.425 4.775 4.350 -0.000 0.000 0.250 327 T C 1.754 176.461 174.700 0.011 0.000 1.041 327 T CA 0.547 62.710 62.100 0.105 0.000 1.010 327 T CB 0.405 69.345 68.868 0.120 0.000 1.003 327 T HN 0.310 nan 8.240 nan 0.000 0.499 328 G N 0.617 109.411 108.800 -0.009 0.000 2.141 328 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.242 328 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.242 328 G C 0.755 175.600 174.900 -0.091 0.000 0.982 328 G CA 0.530 45.596 45.100 -0.057 0.000 0.662 328 G HN 0.525 nan 8.290 nan 0.000 0.527 329 T N -0.906 113.583 114.554 -0.109 0.000 3.031 329 T HA 0.429 4.779 4.350 -0.000 0.000 0.254 329 T C 2.146 176.795 174.700 -0.085 0.000 1.060 329 T CA 2.170 64.153 62.100 -0.195 0.000 1.135 329 T CB 0.141 68.682 68.868 -0.545 0.000 0.896 329 T HN 1.844 nan 8.240 nan 0.000 0.472 330 G N 1.851 110.640 108.800 -0.019 0.000 2.705 330 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.193 330 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.193 330 G C -0.072 174.846 174.900 0.030 0.000 1.015 330 G CA -0.077 45.025 45.100 0.004 0.000 0.743 330 G HN 0.679 nan 8.290 nan 0.000 0.476 331 N N -0.290 118.466 118.700 0.093 0.000 2.774 331 N HA 0.771 5.511 4.740 -0.000 0.000 0.264 331 N C -1.105 174.612 175.510 0.345 0.000 1.415 331 N CA -0.072 53.090 53.050 0.186 0.000 0.815 331 N CB 1.519 40.000 38.487 -0.011 0.000 1.514 331 N HN 0.089 nan 8.380 nan 0.000 0.523 332 T N 0.156 114.979 114.554 0.448 0.000 2.993 332 T HA 0.408 4.758 4.350 -0.000 0.000 0.312 332 T C -0.329 174.610 174.700 0.398 0.000 1.115 332 T CA -0.594 61.745 62.100 0.399 0.000 1.027 332 T CB 0.943 70.069 68.868 0.429 0.000 1.116 332 T HN 0.412 nan 8.240 nan 0.000 0.464 333 L N 2.629 123.984 121.223 0.221 0.000 2.467 333 L HA 0.295 4.635 4.340 -0.000 0.000 0.270 333 L C 1.041 177.963 176.870 0.087 0.000 1.205 333 L CA -0.487 54.404 54.840 0.085 0.000 0.828 333 L CB 0.293 42.337 42.059 -0.024 0.000 1.101 333 L HN 0.580 nan 8.230 nan 0.000 0.479 334 N N 2.438 121.179 118.700 0.069 0.000 3.124 334 N HA 0.049 4.789 4.740 -0.000 0.000 0.284 334 N C 0.625 176.160 175.510 0.041 0.000 1.209 334 N CA -0.184 52.915 53.050 0.081 0.000 1.149 334 N CB 0.209 38.759 38.487 0.106 0.000 1.434 334 N HN 0.458 nan 8.380 nan 0.000 0.529 335 L N 0.728 121.945 121.223 -0.009 0.000 2.549 335 L HA -0.094 4.246 4.340 -0.000 0.000 0.230 335 L C 1.928 178.779 176.870 -0.031 0.000 1.162 335 L CA 1.024 55.829 54.840 -0.059 0.000 0.834 335 L CB -1.633 40.340 42.059 -0.143 0.000 0.947 335 L HN 0.542 nan 8.230 nan 0.000 0.452 336 S N -2.808 112.896 115.700 0.007 0.000 2.458 336 S HA -0.055 4.415 4.470 -0.000 0.000 0.223 336 S C 1.120 175.731 174.600 0.018 0.000 1.019 336 S CA -0.161 58.042 58.200 0.005 0.000 0.937 336 S CB -0.338 62.869 63.200 0.012 0.000 0.788 336 S HN 0.441 nan 8.310 nan 0.000 0.511 337 H N 3.778 122.826 119.070 -0.036 0.000 2.848 337 H HA 0.207 4.763 4.556 0.000 0.000 0.317 337 H C -2.017 173.259 175.328 -0.087 0.000 1.046 337 H CA -1.378 54.640 56.048 -0.050 0.000 1.470 337 H CB 1.295 31.026 29.762 -0.053 0.000 1.483 337 H HN 0.047 nan 8.280 nan 0.000 0.548 338 P HA -0.139 nan 4.420 nan 0.000 0.218 338 P C 1.456 178.739 177.300 -0.028 0.000 1.148 338 P CA 1.006 64.049 63.100 -0.095 0.000 0.822 338 P CB 0.395 31.997 31.700 -0.163 0.000 0.784 339 R N -0.641 119.871 120.500 0.021 0.000 2.073 339 R HA -0.009 4.331 4.340 -0.000 0.000 0.229 339 R C 2.142 178.376 176.300 -0.110 0.000 1.120 339 R CA 1.021 56.985 56.100 -0.226 0.000 0.967 339 R CB -1.657 28.036 30.300 -1.011 0.000 0.862 339 R HN 0.184 nan 8.270 nan 0.000 0.436 340 V N 1.446 121.319 119.914 -0.068 0.000 2.270 340 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 340 V C 2.358 178.447 176.094 -0.009 0.000 1.043 340 V CA 1.454 63.755 62.300 0.000 0.000 1.014 340 V CB -0.555 31.266 31.823 -0.004 0.000 0.645 340 V HN 0.100 nan 8.190 nan 0.000 0.447 341 I N -0.111 120.449 120.570 -0.016 0.000 2.335 341 I HA -0.256 3.914 4.170 -0.000 0.000 0.251 341 I C 2.482 178.610 176.117 0.018 0.000 1.129 341 I CA 1.652 62.938 61.300 -0.023 0.000 1.402 341 I CB -0.533 37.467 38.000 -0.000 0.000 1.069 341 I HN 0.369 nan 8.210 nan 0.000 0.424 342 Q N -0.342 119.483 119.800 0.043 0.000 2.050 342 Q HA -0.260 4.080 4.340 -0.000 0.000 0.202 342 Q C 2.412 178.514 176.000 0.170 0.000 0.980 342 Q CA 2.100 57.963 55.803 0.100 0.000 0.840 342 Q CB -0.219 28.578 28.738 0.097 0.000 0.898 342 Q HN 0.557 nan 8.270 nan 0.000 0.424 343 M N -0.118 119.594 119.600 0.187 0.000 2.108 343 M HA -0.193 4.287 4.480 -0.000 0.000 0.261 343 M C 1.951 178.287 176.300 0.060 0.000 1.066 343 M CA 1.382 56.832 55.300 0.250 0.000 1.107 343 M CB 0.022 32.790 32.600 0.280 0.000 1.356 343 M HN 0.148 nan 8.290 nan 0.000 0.406 344 V N 0.871 120.713 119.914 -0.119 0.000 2.261 344 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 344 V C 2.310 178.278 176.094 -0.210 0.000 1.047 344 V CA 1.848 63.917 62.300 -0.385 0.000 1.015 344 V CB -0.832 30.658 31.823 -0.556 0.000 0.642 344 V HN 0.520 nan 8.190 nan 0.000 0.446 345 L N -0.234 120.970 121.223 -0.032 0.000 2.141 345 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 345 L C 2.286 179.229 176.870 0.122 0.000 1.094 345 L CA 1.251 56.108 54.840 0.029 0.000 0.763 345 L CB -0.615 41.475 42.059 0.051 0.000 0.908 345 L HN 0.321 nan 8.230 nan 0.000 0.437 346 D N -1.015 119.517 120.400 0.220 0.000 2.144 346 D HA -0.168 4.472 4.640 -0.000 0.000 0.200 346 D C 2.362 178.950 176.300 0.479 0.000 0.978 346 D CA 1.362 55.611 54.000 0.415 0.000 0.833 346 D CB -0.000 41.170 40.800 0.617 0.000 0.961 346 D HN 0.131 nan 8.370 nan 0.000 0.470 347 S N -0.076 115.707 115.700 0.139 0.000 2.353 347 S HA -0.123 4.347 4.470 -0.000 0.000 0.222 347 S C 2.160 176.976 174.600 0.360 0.000 1.035 347 S CA 0.866 58.986 58.200 -0.134 0.000 1.025 347 S CB -0.391 62.622 63.200 -0.312 0.000 0.902 347 S HN 0.185 nan 8.310 nan 0.000 0.440 348 L N 0.818 122.137 121.223 0.160 0.000 2.042 348 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 348 L C 3.034 180.117 176.870 0.355 0.000 1.076 348 L CA 1.688 56.556 54.840 0.047 0.000 0.749 348 L CB -0.535 41.378 42.059 -0.244 0.000 0.893 348 L HN 0.286 nan 8.230 nan 0.000 0.432 349 R N -1.271 119.411 120.500 0.304 0.000 2.081 349 R HA -0.209 4.131 4.340 -0.000 0.000 0.235 349 R C 2.333 178.850 176.300 0.361 0.000 1.131 349 R CA 1.760 58.044 56.100 0.307 0.000 0.960 349 R CB -0.576 29.878 30.300 0.256 0.000 0.856 349 R HN 0.253 nan 8.270 nan 0.000 0.436 350 Y N 0.258 120.744 120.300 0.310 0.000 2.053 350 Y HA -0.310 4.240 4.550 -0.000 0.000 0.277 350 Y C 1.728 177.723 175.900 0.158 0.000 1.159 350 Y CA 1.753 59.983 58.100 0.216 0.000 1.125 350 Y CB -0.610 38.000 38.460 0.251 0.000 0.969 350 Y HN 0.057 nan 8.280 nan 0.000 0.492 351 W N -0.742 120.762 121.300 0.340 0.000 2.387 351 W HA -0.143 4.517 4.660 -0.000 0.000 0.272 351 W C 2.251 178.869 176.519 0.165 0.000 1.224 351 W CA 1.464 58.965 57.345 0.260 0.000 1.210 351 W CB -0.532 29.246 29.460 0.531 0.000 1.125 351 W HN -0.049 nan 8.180 nan 0.000 0.572 352 V N -0.432 119.700 119.914 0.362 0.000 2.341 352 V HA -0.202 3.918 4.120 -0.000 0.000 0.240 352 V C 2.391 178.465 176.094 -0.033 0.000 1.035 352 V CA 2.288 64.691 62.300 0.171 0.000 1.033 352 V CB -1.294 30.662 31.823 0.221 0.000 0.678 352 V HN 0.214 nan 8.190 nan 0.000 0.464 353 T N -1.578 112.964 114.554 -0.020 0.000 2.867 353 T HA -0.100 4.250 4.350 -0.000 0.000 0.268 353 T C 1.545 176.198 174.700 -0.078 0.000 1.057 353 T CA 1.317 63.358 62.100 -0.099 0.000 1.136 353 T CB -0.108 68.760 68.868 0.001 0.000 0.874 353 T HN 0.471 nan 8.240 nan 0.000 0.466 354 E N 0.509 120.639 120.200 -0.117 0.000 2.244 354 E HA 0.207 4.557 4.350 -0.000 0.000 0.196 354 E C 1.810 178.418 176.600 0.013 0.000 0.939 354 E CA 0.410 56.738 56.400 -0.119 0.000 0.884 354 E CB 0.084 29.433 29.700 -0.584 0.000 0.850 354 E HN 0.448 nan 8.360 nan 0.000 0.481 355 M N -0.085 119.458 119.600 -0.095 0.000 2.371 355 M HA 0.137 4.616 4.480 -0.000 0.000 0.246 355 M C -0.230 176.268 176.300 0.329 0.000 1.103 355 M CA 0.304 55.711 55.300 0.179 0.000 1.010 355 M CB -0.539 32.108 32.600 0.079 0.000 1.457 355 M HN 0.206 nan 8.290 nan 0.000 0.486 356 H N -0.108 118.892 119.070 -0.117 0.000 2.770 356 H HA -0.099 4.457 4.556 -0.000 0.000 0.309 356 H C -0.436 174.961 175.328 0.116 0.000 1.206 356 H CA -0.245 55.698 56.048 -0.175 0.000 1.147 356 H CB -1.656 27.732 29.762 -0.623 0.000 1.422 356 H HN 0.122 nan 8.280 nan 0.000 0.420 357 V N 1.214 121.251 119.914 0.205 0.000 2.649 357 V HA -0.010 4.110 4.120 -0.000 0.000 0.292 357 V C 1.391 177.470 176.094 -0.025 0.000 1.055 357 V CA 0.205 62.565 62.300 0.099 0.000 1.023 357 V CB 1.616 33.470 31.823 0.052 0.000 0.992 357 V HN 0.365 nan 8.190 nan 0.000 0.480 358 D N 2.825 123.211 120.400 -0.022 0.000 2.339 358 D HA 0.301 4.941 4.640 -0.000 0.000 0.217 358 D C 0.683 176.925 176.300 -0.097 0.000 1.050 358 D CA 0.914 54.914 54.000 0.001 0.000 0.856 358 D CB 1.108 41.981 40.800 0.122 0.000 0.922 358 D HN 0.783 nan 8.370 nan 0.000 0.518 359 G N 0.021 108.618 108.800 -0.338 0.000 2.320 359 G HA2 0.329 4.289 3.960 -0.000 0.000 0.297 359 G HA3 0.329 4.289 3.960 -0.000 0.000 0.297 359 G C -1.854 172.628 174.900 -0.698 0.000 1.344 359 G CA -1.017 43.869 45.100 -0.357 0.000 0.851 359 G HN 0.003 nan 8.290 nan 0.000 0.567 360 F N -0.344 119.544 119.950 -0.104 0.000 2.603 360 F HA 0.855 5.382 4.527 0.000 0.000 0.317 360 F C 0.339 175.930 175.800 -0.349 0.000 1.066 360 F CA -1.023 56.796 58.000 -0.301 0.000 0.941 360 F CB 2.509 41.212 39.000 -0.494 0.000 1.291 360 F HN 0.418 nan 8.300 nan 0.000 0.472 361 R N 2.147 122.505 120.500 -0.237 0.000 2.473 361 R HA 0.391 4.731 4.340 -0.000 0.000 0.303 361 R C -2.096 174.027 176.300 -0.294 0.000 1.002 361 R CA -0.538 55.440 56.100 -0.205 0.000 0.884 361 R CB 0.691 30.930 30.300 -0.102 0.000 1.173 361 R HN 0.596 nan 8.270 nan 0.000 0.464 362 F N 2.768 122.693 119.950 -0.042 0.000 2.421 362 F HA 0.151 4.678 4.527 0.000 0.000 0.358 362 F C 1.012 176.750 175.800 -0.104 0.000 1.115 362 F CA -0.378 57.615 58.000 -0.011 0.000 1.160 362 F CB 0.728 39.781 39.000 0.090 0.000 1.123 362 F HN 0.452 nan 8.300 nan 0.000 0.508 363 D N 3.548 123.978 120.400 0.050 0.000 2.382 363 D HA 0.260 4.900 4.640 -0.000 0.000 0.245 363 D C 0.358 176.683 176.300 0.043 0.000 1.120 363 D CA -0.088 53.902 54.000 -0.017 0.000 0.890 363 D CB 0.611 41.455 40.800 0.073 0.000 1.201 363 D HN 0.577 nan 8.370 nan 0.000 0.433 364 L N 1.586 122.805 121.223 -0.006 0.000 3.854 364 L HA -0.297 4.043 4.340 -0.000 0.000 0.460 364 L C 1.261 178.167 176.870 0.059 0.000 1.228 364 L CA 0.177 55.040 54.840 0.038 0.000 0.760 364 L CB -1.924 40.173 42.059 0.064 0.000 1.597 364 L HN 0.503 nan 8.230 nan 0.000 0.852 365 A N 0.104 122.974 122.820 0.085 0.000 1.969 365 A HA 0.123 4.443 4.320 -0.000 0.000 0.218 365 A C 2.397 179.936 177.584 -0.074 0.000 1.169 365 A CA 1.665 53.754 52.037 0.087 0.000 0.635 365 A CB -0.132 19.019 19.000 0.253 0.000 0.810 365 A HN 0.765 nan 8.150 nan 0.000 0.445 366 A N 0.035 122.886 122.820 0.051 0.000 1.933 366 A HA 0.145 4.465 4.320 -0.000 0.000 0.218 366 A C 2.468 179.984 177.584 -0.114 0.000 1.175 366 A CA 2.017 54.050 52.037 -0.007 0.000 0.628 366 A CB -0.893 18.246 19.000 0.231 0.000 0.814 366 A HN 0.977 nan 8.150 nan 0.000 0.444 367 A N -0.495 122.305 122.820 -0.032 0.000 1.898 367 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 367 A C 2.159 179.662 177.584 -0.135 0.000 1.181 367 A CA 1.391 53.419 52.037 -0.015 0.000 0.620 367 A CB -0.544 18.497 19.000 0.069 0.000 0.819 367 A HN 0.481 nan 8.150 nan 0.000 0.442 368 L N -0.459 120.675 121.223 -0.150 0.000 2.046 368 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 368 L C 2.749 179.402 176.870 -0.362 0.000 1.077 368 L CA 2.076 56.785 54.840 -0.217 0.000 0.747 368 L CB -0.898 41.069 42.059 -0.154 0.000 0.896 368 L HN 0.429 nan 8.230 nan 0.000 0.432 369 A N -0.089 122.439 122.820 -0.486 0.000 1.930 369 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 369 A C 2.258 179.584 177.584 -0.430 0.000 1.175 369 A CA 1.564 53.214 52.037 -0.646 0.000 0.627 369 A CB -0.511 17.588 19.000 -1.501 0.000 0.815 369 A HN 0.412 nan 8.150 nan 0.000 0.443 370 R N 0.513 120.806 120.500 -0.346 0.000 2.091 370 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 370 R C 1.892 177.930 176.300 -0.436 0.000 1.136 370 R CA 2.219 58.188 56.100 -0.219 0.000 0.959 370 R CB -0.559 29.703 30.300 -0.063 0.000 0.856 370 R HN 0.720 nan 8.270 nan 0.000 0.437 371 E N -0.177 119.634 120.200 -0.647 0.000 2.047 371 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 371 E C 2.094 178.430 176.600 -0.439 0.000 0.987 371 E CA 1.465 57.359 56.400 -0.844 0.000 0.799 371 E CB -0.231 29.114 29.700 -0.591 0.000 0.752 371 E HN 0.271 nan 8.360 nan 0.000 0.449 372 L N 0.086 121.112 121.223 -0.328 0.000 2.012 372 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 372 L C 2.546 179.353 176.870 -0.105 0.000 1.073 372 L CA 1.511 56.217 54.840 -0.223 0.000 0.748 372 L CB -0.487 41.427 42.059 -0.243 0.000 0.891 372 L HN 0.197 nan 8.230 nan 0.000 0.431 373 Y N -0.095 120.081 120.300 -0.207 0.000 2.165 373 Y HA -0.361 4.189 4.550 0.000 0.000 0.286 373 Y C 3.012 178.863 175.900 -0.083 0.000 1.155 373 Y CA 1.664 59.693 58.100 -0.118 0.000 1.164 373 Y CB -0.095 38.306 38.460 -0.098 0.000 0.978 373 Y HN 0.189 nan 8.280 nan 0.000 0.513 374 S N -0.399 115.260 115.700 -0.068 0.000 2.413 374 S HA -0.208 4.262 4.470 -0.000 0.000 0.237 374 S C 1.337 175.892 174.600 -0.075 0.000 1.044 374 S CA 1.997 60.167 58.200 -0.050 0.000 1.024 374 S CB -0.791 62.347 63.200 -0.104 0.000 0.829 374 S HN 0.475 nan 8.310 nan 0.000 0.475 375 V N -1.906 117.940 119.914 -0.113 0.000 3.111 375 V HA 0.477 4.597 4.120 -0.000 0.000 0.343 375 V C 0.300 176.330 176.094 -0.106 0.000 1.417 375 V CA 0.094 62.344 62.300 -0.083 0.000 1.142 375 V CB -1.182 30.616 31.823 -0.042 0.000 1.114 375 V HN 0.582 nan 8.190 nan 0.000 0.520 376 N N 0.890 119.486 118.700 -0.173 0.000 2.783 376 N HA -0.163 4.577 4.740 -0.000 0.000 0.247 376 N C 0.515 175.984 175.510 -0.069 0.000 1.089 376 N CA 1.072 54.025 53.050 -0.161 0.000 0.690 376 N CB -0.340 38.066 38.487 -0.135 0.000 0.991 376 N HN 0.501 nan 8.380 nan 0.000 0.552 377 M N -0.189 119.384 119.600 -0.044 0.000 2.279 377 M HA 0.144 4.624 4.480 -0.000 0.000 0.299 377 M C 1.849 178.200 176.300 0.085 0.000 0.970 377 M CA -0.141 55.162 55.300 0.005 0.000 1.065 377 M CB -0.371 32.206 32.600 -0.038 0.000 1.669 377 M HN 0.297 nan 8.290 nan 0.000 0.582 378 L N 0.931 122.210 121.223 0.095 0.000 1.971 378 L HA -0.291 4.049 4.340 -0.000 0.000 0.215 378 L C 1.993 179.017 176.870 0.257 0.000 1.072 378 L CA 2.160 57.109 54.840 0.182 0.000 0.758 378 L CB -0.379 41.783 42.059 0.171 0.000 0.889 378 L HN 0.358 nan 8.230 nan 0.000 0.433 379 N N -0.816 117.963 118.700 0.132 0.000 2.188 379 N HA -0.189 4.551 4.740 -0.000 0.000 0.184 379 N C 1.803 177.379 175.510 0.110 0.000 1.018 379 N CA 1.903 54.996 53.050 0.071 0.000 0.858 379 N CB -0.075 38.417 38.487 0.008 0.000 0.989 379 N HN 0.521 nan 8.380 nan 0.000 0.426 380 T N -2.263 112.351 114.554 0.101 0.000 2.821 380 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 380 T C 1.862 176.626 174.700 0.106 0.000 1.046 380 T CA 0.864 63.010 62.100 0.076 0.000 1.139 380 T CB -0.832 68.066 68.868 0.050 0.000 0.871 380 T HN 0.285 nan 8.240 nan 0.000 0.454 381 F N 0.351 120.309 119.950 0.015 0.000 2.216 381 F HA 0.090 4.617 4.527 -0.000 0.000 0.300 381 F C 1.661 177.407 175.800 -0.090 0.000 1.085 381 F CA 1.052 59.022 58.000 -0.051 0.000 1.326 381 F CB -0.271 38.679 39.000 -0.084 0.000 1.027 381 F HN 0.167 nan 8.300 nan 0.000 0.497 382 F N -0.320 119.515 119.950 -0.191 0.000 2.259 382 F HA -0.093 4.434 4.527 -0.000 0.000 0.298 382 F C 1.942 177.587 175.800 -0.259 0.000 1.088 382 F CA 0.732 58.542 58.000 -0.316 0.000 1.358 382 F CB -0.266 38.543 39.000 -0.318 0.000 1.040 382 F HN -0.079 nan 8.300 nan 0.000 0.505 383 I N -0.197 120.366 120.570 -0.011 0.000 2.353 383 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 383 I C 2.519 178.582 176.117 -0.089 0.000 1.119 383 I CA 1.140 62.418 61.300 -0.036 0.000 1.417 383 I CB -0.874 37.120 38.000 -0.010 0.000 1.078 383 I HN 0.045 nan 8.210 nan 0.000 0.421 384 A N 0.391 123.130 122.820 -0.135 0.000 1.883 384 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 384 A C 2.311 179.770 177.584 -0.208 0.000 1.186 384 A CA 1.663 53.607 52.037 -0.155 0.000 0.624 384 A CB -1.013 17.893 19.000 -0.156 0.000 0.822 384 A HN 0.396 nan 8.150 nan 0.000 0.444 385 L N -1.401 119.603 121.223 -0.366 0.000 2.083 385 L HA -0.225 4.115 4.340 -0.000 0.000 0.209 385 L C 2.876 179.671 176.870 -0.125 0.000 1.083 385 L CA 1.785 56.443 54.840 -0.304 0.000 0.752 385 L CB -0.429 41.346 42.059 -0.473 0.000 0.899 385 L HN 0.543 nan 8.230 nan 0.000 0.433 386 Q N -0.211 119.530 119.800 -0.098 0.000 2.187 386 Q HA -0.211 4.129 4.340 -0.000 0.000 0.199 386 Q C 2.078 178.074 176.000 -0.006 0.000 0.957 386 Q CA 1.274 57.067 55.803 -0.017 0.000 0.857 386 Q CB 0.264 29.003 28.738 0.001 0.000 0.929 386 Q HN 0.555 nan 8.270 nan 0.000 0.453 387 Q N -0.057 119.729 119.800 -0.024 0.000 2.402 387 Q HA 0.057 4.397 4.340 -0.000 0.000 0.206 387 Q C 0.011 176.007 176.000 -0.007 0.000 0.919 387 Q CA 0.411 56.207 55.803 -0.011 0.000 0.923 387 Q CB -0.032 28.698 28.738 -0.014 0.000 1.048 387 Q HN 0.109 nan 8.270 nan 0.000 0.515 388 D N 1.411 121.803 120.400 -0.014 0.000 2.458 388 D HA -0.009 4.630 4.640 -0.000 0.000 0.243 388 D C -1.505 174.805 176.300 0.017 0.000 1.146 388 D CA -1.322 52.679 54.000 0.002 0.000 0.877 388 D CB 1.325 42.124 40.800 -0.003 0.000 1.176 388 D HN -0.036 nan 8.370 nan 0.000 0.461 389 P HA -0.112 nan 4.420 nan 0.000 0.215 389 P C 1.423 178.740 177.300 0.029 0.000 1.153 389 P CA 1.291 64.404 63.100 0.022 0.000 0.853 389 P CB 0.032 31.746 31.700 0.022 0.000 0.788 390 I N -5.109 115.488 120.570 0.045 0.000 2.927 390 I HA 0.031 4.201 4.170 -0.000 0.000 0.268 390 I C 1.929 178.097 176.117 0.085 0.000 1.153 390 I CA 0.726 62.060 61.300 0.055 0.000 1.459 390 I CB -0.990 37.046 38.000 0.060 0.000 1.149 390 I HN -0.197 nan 8.210 nan 0.000 0.443 391 L N 2.103 123.379 121.223 0.090 0.000 2.275 391 L HA -0.076 4.264 4.340 -0.000 0.000 0.215 391 L C 2.642 179.576 176.870 0.108 0.000 1.119 391 L CA 1.421 56.329 54.840 0.113 0.000 0.790 391 L CB -0.444 41.654 42.059 0.064 0.000 0.919 391 L HN 0.467 nan 8.230 nan 0.000 0.443 392 S N -1.532 114.215 115.700 0.079 0.000 2.603 392 S HA -0.070 4.400 4.470 -0.000 0.000 0.220 392 S C 1.539 176.214 174.600 0.125 0.000 0.967 392 S CA 0.169 58.425 58.200 0.093 0.000 0.920 392 S CB 0.057 63.294 63.200 0.061 0.000 0.773 392 S HN 0.514 nan 8.310 nan 0.000 0.529 393 Q N 0.942 120.809 119.800 0.112 0.000 2.392 393 Q HA 0.250 4.590 4.340 -0.000 0.000 0.219 393 Q C 0.788 176.863 176.000 0.125 0.000 0.895 393 Q CA 0.199 56.068 55.803 0.109 0.000 0.929 393 Q CB 0.397 29.166 28.738 0.053 0.000 1.077 393 Q HN 0.667 nan 8.270 nan 0.000 0.532 394 V N -0.378 119.624 119.914 0.147 0.000 3.185 394 V HA 0.192 4.312 4.120 -0.000 0.000 0.305 394 V C -0.028 176.165 176.094 0.165 0.000 1.090 394 V CA -0.918 61.470 62.300 0.147 0.000 1.107 394 V CB 0.688 32.639 31.823 0.214 0.000 1.061 394 V HN -0.010 nan 8.190 nan 0.000 0.480 395 K N 1.948 122.417 120.400 0.116 0.000 2.249 395 K HA 0.640 4.960 4.320 -0.000 0.000 0.280 395 K C -0.956 175.747 176.600 0.172 0.000 1.033 395 K CA -0.175 56.178 56.287 0.110 0.000 0.946 395 K CB 0.905 33.431 32.500 0.043 0.000 1.005 395 K HN 0.601 nan 8.250 nan 0.000 0.469 396 L N 5.110 126.452 121.223 0.198 0.000 2.372 396 L HA 0.429 4.769 4.340 -0.000 0.000 0.273 396 L C -0.811 176.034 176.870 -0.041 0.000 0.989 396 L CA -0.715 54.281 54.840 0.260 0.000 0.841 396 L CB 1.053 43.431 42.059 0.530 0.000 1.225 396 L HN 0.408 nan 8.230 nan 0.000 0.414 397 I N 2.217 122.769 120.570 -0.031 0.000 2.377 397 I HA 0.779 4.949 4.170 -0.000 0.000 0.293 397 I C 0.423 176.469 176.117 -0.118 0.000 0.987 397 I CA -0.065 61.150 61.300 -0.142 0.000 1.185 397 I CB 1.338 39.358 38.000 0.035 0.000 1.341 397 I HN 0.729 nan 8.210 nan 0.000 0.455 398 A N 6.282 128.942 122.820 -0.266 0.000 4.069 398 A HA 0.877 5.197 4.320 -0.000 0.000 0.188 398 A C -0.714 176.940 177.584 0.116 0.000 0.718 398 A CA -0.291 51.742 52.037 -0.007 0.000 0.753 398 A CB 1.614 20.728 19.000 0.190 0.000 1.566 398 A HN 0.749 nan 8.150 nan 0.000 0.836 399 E N -0.690 119.730 120.200 0.367 0.000 2.413 399 E HA 0.595 4.945 4.350 -0.000 0.000 0.277 399 E C -3.135 173.775 176.600 0.517 0.000 0.958 399 E CA -2.074 54.567 56.400 0.402 0.000 0.779 399 E CB 1.840 31.729 29.700 0.314 0.000 1.278 399 E HN 0.208 nan 8.360 nan 0.000 0.456 400 P HA 0.075 nan 4.420 nan 0.000 0.269 400 P C -1.036 176.387 177.300 0.206 0.000 1.215 400 P CA 0.005 63.215 63.100 0.184 0.000 0.780 400 P CB 0.227 32.005 31.700 0.130 0.000 0.898 401 W N 0.737 122.121 121.300 0.139 0.000 3.775 401 W HA 0.283 4.943 4.660 -0.000 0.000 0.315 401 W C -1.707 174.718 176.519 -0.156 0.000 1.169 401 W CA -0.531 56.831 57.345 0.028 0.000 1.266 401 W CB 0.688 30.223 29.460 0.124 0.000 1.269 401 W HN 0.237 nan 8.180 nan 0.000 0.471 402 D N 3.608 124.030 120.400 0.037 0.000 2.427 402 D HA 0.424 5.064 4.640 -0.000 0.000 0.226 402 D C -0.603 175.715 176.300 0.031 0.000 1.076 402 D CA -0.043 53.914 54.000 -0.070 0.000 0.849 402 D CB 1.880 42.592 40.800 -0.148 0.000 1.052 402 D HN 0.341 nan 8.370 nan 0.000 0.515 403 V N 0.860 120.789 119.914 0.026 0.000 2.823 403 V HA 0.822 4.942 4.120 -0.000 0.000 0.312 403 V C 0.689 176.657 176.094 -0.209 0.000 1.072 403 V CA -0.968 61.296 62.300 -0.060 0.000 0.937 403 V CB 1.794 33.555 31.823 -0.103 0.000 1.013 403 V HN 0.434 nan 8.190 nan 0.000 0.430 404 G N 0.964 109.698 108.800 -0.110 0.000 4.084 404 G HA2 0.294 4.254 3.960 -0.000 0.000 0.293 404 G HA3 0.294 4.254 3.960 -0.000 0.000 0.293 404 G C 0.305 175.236 174.900 0.052 0.000 1.303 404 G CA -0.128 44.985 45.100 0.021 0.000 1.289 404 G HN 0.595 nan 8.290 nan 0.000 0.609 405 Q N 1.105 120.922 119.800 0.028 0.000 2.080 405 Q HA 0.356 4.696 4.340 -0.000 0.000 0.195 405 Q C 1.024 177.011 176.000 -0.022 0.000 0.989 405 Q CA 1.514 57.324 55.803 0.011 0.000 0.838 405 Q CB 0.102 28.854 28.738 0.022 0.000 0.915 405 Q HN 0.765 nan 8.270 nan 0.000 0.482 406 G N -0.115 108.660 108.800 -0.043 0.000 2.730 406 G HA2 0.140 4.100 3.960 -0.000 0.000 0.644 406 G HA3 0.140 4.100 3.960 -0.000 0.000 0.644 406 G C -0.193 174.639 174.900 -0.112 0.000 1.168 406 G CA -0.219 44.834 45.100 -0.078 0.000 1.240 406 G HN 0.473 nan 8.290 nan 0.000 0.551 407 G N 1.078 109.816 108.800 -0.103 0.000 3.005 407 G HA2 0.649 4.609 3.960 -0.000 0.000 0.342 407 G HA3 0.649 4.609 3.960 -0.000 0.000 0.342 407 G C 0.598 175.461 174.900 -0.062 0.000 1.101 407 G CA 0.253 45.249 45.100 -0.172 0.000 1.225 407 G HN 1.170 nan 8.290 nan 0.000 0.462 408 Y N 0.239 120.473 120.300 -0.109 0.000 2.769 408 Y HA -0.383 4.167 4.550 -0.000 0.000 0.487 408 Y C 1.815 177.753 175.900 0.063 0.000 1.131 408 Y CA 1.893 59.859 58.100 -0.222 0.000 2.888 408 Y CB -1.089 37.255 38.460 -0.194 0.000 0.920 408 Y HN 0.570 nan 8.280 nan 0.000 0.553 409 Q N -1.398 118.495 119.800 0.154 0.000 2.493 409 Q HA -0.075 4.265 4.340 -0.000 0.000 0.276 409 Q C -1.121 174.883 176.000 0.007 0.000 1.041 409 Q CA 0.976 56.819 55.803 0.067 0.000 0.988 409 Q CB -1.708 27.027 28.738 -0.004 0.000 1.287 409 Q HN 0.402 nan 8.270 nan 0.000 0.530 410 V N -0.710 119.155 119.914 -0.082 0.000 2.567 410 V HA 0.590 4.710 4.120 -0.000 0.000 0.298 410 V C 1.468 177.386 176.094 -0.293 0.000 1.047 410 V CA 0.232 62.322 62.300 -0.350 0.000 0.880 410 V CB 1.726 32.991 31.823 -0.931 0.000 1.009 410 V HN 0.343 nan 8.190 nan 0.000 0.429 411 G N 4.682 113.354 108.800 -0.215 0.000 2.529 411 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.219 411 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.219 411 G C 0.516 175.345 174.900 -0.118 0.000 1.177 411 G CA 0.940 45.969 45.100 -0.117 0.000 0.773 411 G HN 0.587 nan 8.290 nan 0.000 0.573 412 N N -1.332 117.235 118.700 -0.223 0.000 2.452 412 N HA 0.295 5.035 4.740 -0.000 0.000 0.277 412 N C -1.869 173.526 175.510 -0.192 0.000 1.078 412 N CA -0.522 52.469 53.050 -0.099 0.000 0.947 412 N CB 1.630 40.115 38.487 -0.004 0.000 1.655 412 N HN -0.013 nan 8.380 nan 0.000 0.490 413 F N 1.635 121.531 119.950 -0.090 0.000 2.385 413 F HA 0.452 4.979 4.527 0.000 0.000 0.336 413 F C -1.449 174.409 175.800 0.096 0.000 1.100 413 F CA -1.574 56.374 58.000 -0.087 0.000 1.116 413 F CB 0.508 39.296 39.000 -0.354 0.000 1.166 413 F HN 0.214 nan 8.300 nan 0.000 0.511 414 P HA -0.136 nan 4.420 nan 0.000 0.267 414 P C 0.524 178.050 177.300 0.377 0.000 1.195 414 P CA 0.339 63.636 63.100 0.328 0.000 0.773 414 P CB 0.355 32.273 31.700 0.364 0.000 0.837 415 Y N 1.909 122.331 120.300 0.203 0.000 2.165 415 Y HA -0.234 4.316 4.550 -0.000 0.000 0.286 415 Y C 1.379 177.392 175.900 0.188 0.000 1.155 415 Y CA 1.544 59.743 58.100 0.165 0.000 1.164 415 Y CB 0.114 38.636 38.460 0.105 0.000 0.978 415 Y HN 0.365 nan 8.280 nan 0.000 0.513 416 Q N 0.351 120.181 119.800 0.050 0.000 2.286 416 Q HA -0.003 4.337 4.340 -0.000 0.000 0.281 416 Q C -0.764 175.327 176.000 0.151 0.000 0.897 416 Q CA -0.444 55.333 55.803 -0.045 0.000 1.023 416 Q CB -0.159 28.591 28.738 0.020 0.000 1.151 416 Q HN 0.430 nan 8.270 nan 0.000 0.445 417 W N 0.960 122.299 121.300 0.065 0.000 2.272 417 W HA 0.519 5.179 4.660 0.000 0.000 0.318 417 W C -1.032 175.532 176.519 0.074 0.000 1.255 417 W CA -0.081 57.361 57.345 0.161 0.000 1.200 417 W CB 0.743 30.384 29.460 0.302 0.000 1.170 417 W HN 0.104 nan 8.180 nan 0.000 0.549 418 A N 4.578 127.128 122.820 -0.451 0.000 2.587 418 A HA 0.618 4.938 4.320 -0.000 0.000 0.293 418 A C -1.653 175.732 177.584 -0.332 0.000 1.087 418 A CA -0.738 51.131 52.037 -0.281 0.000 0.692 418 A CB 2.090 21.023 19.000 -0.110 0.000 1.291 418 A HN 0.654 nan 8.150 nan 0.000 0.407 419 E N 0.170 120.350 120.200 -0.033 0.000 2.266 419 E HA 0.374 4.724 4.350 -0.000 0.000 0.268 419 E C -1.604 175.214 176.600 0.363 0.000 0.879 419 E CA -0.521 55.987 56.400 0.180 0.000 0.762 419 E CB 1.407 31.307 29.700 0.333 0.000 1.199 419 E HN 0.591 nan 8.360 nan 0.000 0.422 420 W N 2.117 123.487 121.300 0.117 0.000 2.308 420 W HA 0.071 4.731 4.660 0.000 0.000 0.324 420 W C 0.533 177.243 176.519 0.318 0.000 1.387 420 W CA -0.053 57.397 57.345 0.175 0.000 1.250 420 W CB -0.154 29.356 29.460 0.083 0.000 1.257 420 W HN 0.434 nan 8.180 nan 0.000 0.554 421 N N 2.402 121.423 118.700 0.536 0.000 2.767 421 N HA 0.202 4.942 4.740 -0.000 0.000 0.238 421 N C 1.368 177.089 175.510 0.351 0.000 1.083 421 N CA 0.003 53.301 53.050 0.414 0.000 0.964 421 N CB 0.246 38.929 38.487 0.326 0.000 1.252 421 N HN 0.646 nan 8.380 nan 0.000 0.512 422 G N 1.784 110.797 108.800 0.356 0.000 2.443 422 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.219 422 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.219 422 G C 1.410 176.361 174.900 0.085 0.000 1.131 422 G CA 0.592 45.820 45.100 0.214 0.000 0.775 422 G HN 0.479 nan 8.290 nan 0.000 0.547 423 K N -0.757 119.707 120.400 0.107 0.000 2.097 423 K HA -0.068 4.252 4.320 -0.000 0.000 0.205 423 K C 2.088 178.695 176.600 0.013 0.000 1.050 423 K CA 0.948 57.258 56.287 0.038 0.000 0.938 423 K CB -0.280 32.239 32.500 0.031 0.000 0.718 423 K HN 0.435 nan 8.250 nan 0.000 0.442 424 Y N 2.605 122.881 120.300 -0.041 0.000 2.145 424 Y HA -0.306 4.244 4.550 -0.000 0.000 0.286 424 Y C 2.361 178.187 175.900 -0.124 0.000 1.145 424 Y CA 2.039 60.100 58.100 -0.064 0.000 1.148 424 Y CB -0.008 38.438 38.460 -0.025 0.000 0.981 424 Y HN 0.011 nan 8.280 nan 0.000 0.507 425 R N 0.146 120.573 120.500 -0.121 0.000 2.075 425 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 425 R C 1.581 177.797 176.300 -0.139 0.000 1.126 425 R CA 1.912 57.868 56.100 -0.241 0.000 0.963 425 R CB -1.040 28.916 30.300 -0.574 0.000 0.858 425 R HN 0.198 nan 8.270 nan 0.000 0.435 426 D N 0.873 121.209 120.400 -0.107 0.000 2.092 426 D HA -0.121 4.519 4.640 -0.000 0.000 0.193 426 D C 2.009 178.161 176.300 -0.247 0.000 0.994 426 D CA 1.983 55.890 54.000 -0.154 0.000 0.828 426 D CB -0.484 40.213 40.800 -0.171 0.000 0.963 426 D HN 0.254 nan 8.370 nan 0.000 0.450 427 S N 0.273 115.830 115.700 -0.238 0.000 2.374 427 S HA -0.139 4.331 4.470 -0.000 0.000 0.227 427 S C 1.928 176.424 174.600 -0.174 0.000 1.037 427 S CA 0.609 58.663 58.200 -0.244 0.000 1.024 427 S CB -0.098 62.939 63.200 -0.271 0.000 0.861 427 S HN 0.172 nan 8.310 nan 0.000 0.456 428 I N 1.684 122.143 120.570 -0.185 0.000 2.286 428 I HA -0.039 4.131 4.170 -0.000 0.000 0.245 428 I C 2.365 178.730 176.117 0.414 0.000 1.104 428 I CA 1.077 62.399 61.300 0.036 0.000 1.397 428 I CB -1.209 36.733 38.000 -0.096 0.000 1.072 428 I HN 0.221 nan 8.210 nan 0.000 0.417 429 R N 0.202 120.898 120.500 0.327 0.000 2.083 429 R HA -0.127 4.213 4.340 -0.000 0.000 0.237 429 R C 2.403 178.908 176.300 0.342 0.000 1.137 429 R CA 1.221 57.595 56.100 0.457 0.000 0.951 429 R CB -0.317 30.146 30.300 0.271 0.000 0.851 429 R HN 0.363 nan 8.270 nan 0.000 0.434 430 R N -0.219 120.340 120.500 0.098 0.000 2.073 430 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 430 R C 2.215 178.520 176.300 0.008 0.000 1.134 430 R CA 1.442 57.540 56.100 -0.002 0.000 0.952 430 R CB -0.557 29.625 30.300 -0.196 0.000 0.850 430 R HN 0.172 nan 8.270 nan 0.000 0.433 431 F N 0.499 120.342 119.950 -0.177 0.000 2.025 431 F HA -0.258 4.269 4.527 0.000 0.000 0.297 431 F C 1.729 177.303 175.800 -0.376 0.000 1.132 431 F CA 1.591 59.383 58.000 -0.347 0.000 1.191 431 F CB -0.634 38.069 39.000 -0.495 0.000 0.963 431 F HN -0.000 nan 8.300 nan 0.000 0.481 432 W N 0.387 121.551 121.300 -0.226 0.000 2.525 432 W HA -0.009 4.651 4.660 -0.000 0.000 0.259 432 W C 2.587 178.973 176.519 -0.221 0.000 1.253 432 W CA 0.764 57.877 57.345 -0.387 0.000 1.262 432 W CB -0.379 28.726 29.460 -0.593 0.000 1.122 432 W HN -0.063 nan 8.180 nan 0.000 0.607 433 R N -0.041 120.498 120.500 0.066 0.000 2.189 433 R HA 0.031 4.371 4.340 -0.000 0.000 0.218 433 R C 1.700 177.854 176.300 -0.244 0.000 1.074 433 R CA 1.225 57.323 56.100 -0.003 0.000 0.991 433 R CB -0.244 30.098 30.300 0.070 0.000 0.883 433 R HN 0.267 nan 8.270 nan 0.000 0.457 434 G N 0.128 108.753 108.800 -0.291 0.000 2.255 434 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.196 434 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.196 434 G C -0.523 174.214 174.900 -0.273 0.000 0.998 434 G CA -0.306 44.595 45.100 -0.332 0.000 0.656 434 G HN 0.396 nan 8.290 nan 0.000 0.490 435 E N 1.525 121.598 120.200 -0.211 0.000 2.383 435 E HA 0.426 4.776 4.350 -0.000 0.000 0.257 435 E C 0.796 177.305 176.600 -0.152 0.000 1.079 435 E CA 0.300 56.608 56.400 -0.153 0.000 0.934 435 E CB 0.837 30.472 29.700 -0.109 0.000 0.978 435 E HN 0.700 nan 8.360 nan 0.000 0.462 436 A N 5.078 127.816 122.820 -0.137 0.000 2.491 436 A HA 0.223 4.543 4.320 -0.000 0.000 0.261 436 A C -0.152 177.380 177.584 -0.087 0.000 1.101 436 A CA 0.004 51.977 52.037 -0.106 0.000 0.772 436 A CB 0.021 18.963 19.000 -0.095 0.000 1.043 436 A HN 0.584 nan 8.150 nan 0.000 0.501 437 L N 4.069 125.248 121.223 -0.074 0.000 2.342 437 L HA 0.434 4.774 4.340 -0.000 0.000 0.271 437 L C -2.262 174.505 176.870 -0.172 0.000 1.008 437 L CA -2.410 52.354 54.840 -0.127 0.000 0.818 437 L CB 2.202 44.172 42.059 -0.147 0.000 1.296 437 L HN 0.384 nan 8.230 nan 0.000 0.427 438 P HA -0.120 nan 4.420 nan 0.000 0.258 438 P C 0.130 177.238 177.300 -0.320 0.000 1.172 438 P CA 0.534 63.502 63.100 -0.219 0.000 0.762 438 P CB 0.166 31.730 31.700 -0.228 0.000 0.764 439 Y N 3.713 123.758 120.300 -0.425 0.000 2.102 439 Y HA -0.375 4.175 4.550 -0.000 0.000 0.280 439 Y C 2.500 177.818 175.900 -0.971 0.000 1.178 439 Y CA 2.586 60.348 58.100 -0.562 0.000 1.146 439 Y CB -0.322 37.869 38.460 -0.448 0.000 0.968 439 Y HN 0.413 nan 8.280 nan 0.000 0.504 440 S N -0.556 114.487 115.700 -1.094 0.000 2.370 440 S HA -0.302 4.168 4.470 -0.000 0.000 0.226 440 S C 1.934 176.071 174.600 -0.772 0.000 1.033 440 S CA 1.546 58.805 58.200 -1.568 0.000 1.011 440 S CB -0.693 61.740 63.200 -1.277 0.000 0.852 440 S HN 0.696 nan 8.310 nan 0.000 0.457 441 E N 0.812 120.694 120.200 -0.531 0.000 2.015 441 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 441 E C 2.083 178.452 176.600 -0.384 0.000 0.991 441 E CA 1.322 57.502 56.400 -0.367 0.000 0.802 441 E CB -0.270 29.255 29.700 -0.292 0.000 0.759 441 E HN 0.521 nan 8.360 nan 0.000 0.447 442 I N 1.113 121.395 120.570 -0.480 0.000 2.335 442 I HA -0.204 3.966 4.170 -0.000 0.000 0.251 442 I C 2.068 177.892 176.117 -0.489 0.000 1.129 442 I CA 1.683 62.650 61.300 -0.555 0.000 1.402 442 I CB -0.333 37.175 38.000 -0.821 0.000 1.069 442 I HN 0.185 nan 8.210 nan 0.000 0.424 443 A N 0.195 122.697 122.820 -0.529 0.000 1.897 443 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 443 A C 2.168 179.650 177.584 -0.169 0.000 1.181 443 A CA 1.642 53.430 52.037 -0.414 0.000 0.620 443 A CB -0.854 17.678 19.000 -0.780 0.000 0.821 443 A HN 0.535 nan 8.150 nan 0.000 0.443 444 N N -0.232 118.362 118.700 -0.177 0.000 2.149 444 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 444 N C 1.809 177.337 175.510 0.030 0.000 1.019 444 N CA 0.970 54.001 53.050 -0.032 0.000 0.857 444 N CB -0.316 38.128 38.487 -0.072 0.000 0.997 444 N HN 0.330 nan 8.380 nan 0.000 0.426 445 R N 1.008 121.501 120.500 -0.011 0.000 2.081 445 R HA -0.014 4.326 4.340 -0.000 0.000 0.235 445 R C 2.332 178.779 176.300 0.245 0.000 1.131 445 R CA 0.556 56.735 56.100 0.132 0.000 0.960 445 R CB -0.969 29.311 30.300 -0.033 0.000 0.856 445 R HN 0.332 nan 8.270 nan 0.000 0.436 446 L N 0.539 121.826 121.223 0.107 0.000 2.141 446 L HA -0.079 4.261 4.340 -0.000 0.000 0.209 446 L C 2.034 178.964 176.870 0.101 0.000 1.094 446 L CA 0.813 55.727 54.840 0.125 0.000 0.763 446 L CB -0.318 41.718 42.059 -0.037 0.000 0.908 446 L HN 0.078 nan 8.230 nan 0.000 0.437 447 L N -0.241 121.050 121.223 0.113 0.000 2.627 447 L HA 0.143 4.483 4.340 -0.000 0.000 0.233 447 L C 1.377 178.378 176.870 0.217 0.000 1.144 447 L CA 0.498 55.422 54.840 0.139 0.000 0.892 447 L CB -0.383 41.838 42.059 0.270 0.000 1.039 447 L HN 0.479 nan 8.230 nan 0.000 0.442 448 G N -0.978 107.938 108.800 0.193 0.000 2.157 448 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.239 448 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.239 448 G C 0.426 175.630 174.900 0.507 0.000 0.982 448 G CA -0.019 45.222 45.100 0.235 0.000 0.650 448 G HN 0.261 nan 8.290 nan 0.000 0.527 449 S N -0.948 114.950 115.700 0.332 0.000 3.963 449 S HA -0.125 4.345 4.470 -0.000 0.000 0.438 449 S C -0.686 173.849 174.600 -0.108 0.000 0.879 449 S CA 0.649 58.963 58.200 0.190 0.000 1.262 449 S CB -0.673 62.712 63.200 0.308 0.000 0.850 449 S HN 0.685 nan 8.310 nan 0.000 0.570 450 P HA -0.068 nan 4.420 nan 0.000 0.229 450 P C 1.193 178.194 177.300 -0.498 0.000 1.160 450 P CA 1.152 63.493 63.100 -1.266 0.000 0.777 450 P CB -0.029 31.106 31.700 -0.942 0.000 0.814 451 D N 0.155 120.391 120.400 -0.273 0.000 2.224 451 D HA -0.082 4.558 4.640 -0.000 0.000 0.205 451 D C 1.923 178.108 176.300 -0.191 0.000 0.965 451 D CA 0.704 54.599 54.000 -0.176 0.000 0.852 451 D CB -0.704 40.026 40.800 -0.118 0.000 0.947 451 D HN 0.262 nan 8.370 nan 0.000 0.494 452 I N -0.811 119.604 120.570 -0.259 0.000 2.585 452 I HA -0.115 4.055 4.170 -0.000 0.000 0.254 452 I C 0.741 176.552 176.117 -0.510 0.000 1.129 452 I CA 0.449 61.495 61.300 -0.422 0.000 1.455 452 I CB -0.118 37.524 38.000 -0.597 0.000 1.111 452 I HN -0.165 nan 8.210 nan 0.000 0.433 453 Y N 1.887 122.175 120.300 -0.019 0.000 2.845 453 Y HA 0.231 4.781 4.550 -0.000 0.000 0.385 453 Y C 1.262 177.188 175.900 0.044 0.000 1.133 453 Y CA -0.613 57.537 58.100 0.082 0.000 1.660 453 Y CB -0.000 38.683 38.460 0.372 0.000 1.683 453 Y HN 0.006 nan 8.280 nan 0.000 0.503 454 L N -0.165 121.088 121.223 0.050 0.000 1.994 454 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 454 L C 1.618 178.550 176.870 0.102 0.000 1.071 454 L CA 1.748 56.614 54.840 0.043 0.000 0.745 454 L CB -1.160 40.902 42.059 0.006 0.000 0.892 454 L HN 0.584 nan 8.230 nan 0.000 0.431 455 G N -1.292 107.566 108.800 0.097 0.000 4.917 455 G HA2 0.086 4.046 3.960 -0.000 0.000 0.244 455 G HA3 0.086 4.046 3.960 -0.000 0.000 0.244 455 G C 0.626 175.556 174.900 0.050 0.000 1.072 455 G CA -0.239 44.917 45.100 0.093 0.000 0.850 455 G HN 0.299 nan 8.290 nan 0.000 0.559 456 N N 0.122 118.837 118.700 0.026 0.000 2.402 456 N HA 0.049 4.789 4.740 -0.000 0.000 0.174 456 N C 1.247 176.668 175.510 -0.148 0.000 1.027 456 N CA 0.435 53.347 53.050 -0.230 0.000 0.891 456 N CB 0.140 38.480 38.487 -0.245 0.000 1.016 456 N HN 0.345 nan 8.380 nan 0.000 0.439 457 N N -0.853 117.875 118.700 0.048 0.000 1.839 457 N HA -0.010 4.730 4.740 -0.000 0.000 0.232 457 N C -0.652 174.913 175.510 0.093 0.000 1.425 457 N CA 0.111 53.198 53.050 0.062 0.000 0.743 457 N CB 0.575 39.070 38.487 0.014 0.000 1.044 457 N HN -0.129 nan 8.380 nan 0.000 0.519 458 K N 0.815 121.310 120.400 0.159 0.000 3.274 458 K HA -0.135 4.185 4.320 -0.000 0.000 0.300 458 K C -0.831 175.799 176.600 0.050 0.000 1.230 458 K CA 1.339 57.733 56.287 0.178 0.000 0.884 458 K CB -1.723 30.863 32.500 0.143 0.000 1.242 458 K HN 0.355 nan 8.250 nan 0.000 0.467 459 T N -2.180 112.300 114.554 -0.124 0.000 2.912 459 T HA 0.537 4.887 4.350 -0.000 0.000 0.299 459 T C -2.394 171.777 174.700 -0.881 0.000 1.052 459 T CA -2.195 59.688 62.100 -0.361 0.000 0.996 459 T CB 1.633 70.437 68.868 -0.106 0.000 1.070 459 T HN -0.267 nan 8.240 nan 0.000 0.465 460 P HA 0.058 nan 4.420 nan 0.000 0.219 460 P C 0.722 177.579 177.300 -0.739 0.000 1.146 460 P CA 0.833 63.224 63.100 -1.182 0.000 0.808 460 P CB -0.058 31.073 31.700 -0.949 0.000 0.779 461 F N -0.879 118.863 119.950 -0.346 0.000 2.811 461 F HA 0.180 4.707 4.527 -0.000 0.000 0.301 461 F C 2.117 177.765 175.800 -0.253 0.000 1.151 461 F CA 0.185 58.045 58.000 -0.232 0.000 1.412 461 F CB -1.008 37.893 39.000 -0.166 0.000 1.113 461 F HN -0.087 nan 8.300 nan 0.000 0.579 462 A N -1.122 121.549 122.820 -0.249 0.000 2.167 462 A HA -0.017 4.303 4.320 -0.000 0.000 0.214 462 A C 1.463 178.797 177.584 -0.418 0.000 1.151 462 A CA 0.563 52.407 52.037 -0.322 0.000 0.735 462 A CB -0.352 18.390 19.000 -0.430 0.000 0.802 462 A HN 0.160 nan 8.150 nan 0.000 0.467 463 S N 1.146 116.600 115.700 -0.409 0.000 2.422 463 S HA 0.482 4.952 4.470 -0.000 0.000 0.298 463 S C -0.225 174.327 174.600 -0.079 0.000 1.118 463 S CA -0.621 57.463 58.200 -0.194 0.000 1.083 463 S CB -0.151 63.007 63.200 -0.069 0.000 0.971 463 S HN 0.199 nan 8.310 nan 0.000 0.478 464 I N 5.778 126.355 120.570 0.012 0.000 2.278 464 I HA 0.155 4.325 4.170 -0.000 0.000 0.296 464 I C 0.568 176.664 176.117 -0.034 0.000 1.121 464 I CA -0.036 61.244 61.300 -0.034 0.000 1.267 464 I CB -0.795 37.173 38.000 -0.054 0.000 1.447 464 I HN 0.658 nan 8.210 nan 0.000 0.509 465 N N 7.269 125.849 118.700 -0.199 0.000 2.513 465 N HA 0.389 5.129 4.740 -0.000 0.000 0.268 465 N C -0.942 174.518 175.510 -0.084 0.000 1.180 465 N CA -0.139 52.646 53.050 -0.442 0.000 0.948 465 N CB 0.831 38.728 38.487 -0.984 0.000 1.083 465 N HN 0.491 nan 8.380 nan 0.000 0.455 466 Y N -2.324 117.894 120.300 -0.136 0.000 2.604 466 Y HA 0.339 4.889 4.550 -0.000 0.000 0.331 466 Y C -0.063 175.916 175.900 0.130 0.000 1.158 466 Y CA -1.167 56.895 58.100 -0.062 0.000 1.056 466 Y CB 0.230 38.521 38.460 -0.282 0.000 1.330 466 Y HN 0.170 nan 8.280 nan 0.000 0.457 467 V N -1.483 118.477 119.914 0.076 0.000 3.085 467 V HA 0.363 4.483 4.120 -0.000 0.000 0.245 467 V C 0.326 176.383 176.094 -0.061 0.000 1.114 467 V CA 1.269 63.535 62.300 -0.056 0.000 1.108 467 V CB 0.128 31.897 31.823 -0.091 0.000 0.798 467 V HN 1.128 nan 8.190 nan 0.000 0.471 468 T N -0.440 114.161 114.554 0.077 0.000 2.896 468 T HA 0.816 5.166 4.350 -0.000 0.000 0.297 468 T C -0.355 174.439 174.700 0.157 0.000 1.108 468 T CA 0.207 62.373 62.100 0.109 0.000 1.004 468 T CB 2.216 71.110 68.868 0.043 0.000 1.159 468 T HN 1.011 nan 8.240 nan 0.000 0.499 469 S N -0.395 115.359 115.700 0.090 0.000 2.819 469 S HA 0.372 4.842 4.470 -0.000 0.000 0.299 469 S C 1.132 175.724 174.600 -0.012 0.000 1.192 469 S CA -0.374 57.801 58.200 -0.042 0.000 0.847 469 S CB 0.341 63.397 63.200 -0.241 0.000 1.224 469 S HN 1.135 nan 8.310 nan 0.000 0.537 470 H N -0.014 119.051 119.070 -0.007 0.000 2.492 470 H HA -0.007 4.549 4.556 -0.000 0.000 0.296 470 H C -0.723 174.603 175.328 -0.002 0.000 1.095 470 H CA 1.166 57.142 56.048 -0.120 0.000 1.281 470 H CB -0.491 28.975 29.762 -0.493 0.000 1.374 470 H HN 0.445 nan 8.280 nan 0.000 0.545 471 D N 1.149 121.281 120.400 -0.447 0.000 2.313 471 D HA 0.329 4.969 4.640 -0.000 0.000 0.239 471 D C 1.090 177.416 176.300 0.043 0.000 1.142 471 D CA 1.258 55.188 54.000 -0.115 0.000 0.847 471 D CB 1.263 41.934 40.800 -0.215 0.000 1.082 471 D HN 0.662 nan 8.370 nan 0.000 0.480 472 G N 2.658 111.516 108.800 0.097 0.000 2.509 472 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.256 472 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.256 472 G C -0.355 174.577 174.900 0.054 0.000 1.152 472 G CA -0.559 44.500 45.100 -0.068 0.000 0.951 472 G HN 0.378 nan 8.290 nan 0.000 0.559 473 F N 2.603 122.567 119.950 0.023 0.000 2.396 473 F HA 0.591 5.118 4.527 0.000 0.000 0.343 473 F C 1.475 177.274 175.800 -0.002 0.000 1.104 473 F CA -0.359 57.636 58.000 -0.009 0.000 1.161 473 F CB 1.394 40.380 39.000 -0.024 0.000 1.146 473 F HN 0.716 nan 8.300 nan 0.000 0.522 474 T N 2.750 117.430 114.554 0.211 0.000 2.901 474 T HA 0.116 4.466 4.350 -0.000 0.000 0.301 474 T C 1.346 176.059 174.700 0.021 0.000 1.012 474 T CA -0.700 61.450 62.100 0.083 0.000 1.135 474 T CB 0.609 69.498 68.868 0.036 0.000 0.936 474 T HN 0.575 nan 8.240 nan 0.000 0.539 475 L N 2.383 123.605 121.223 -0.002 0.000 2.123 475 L HA -0.138 4.202 4.340 -0.000 0.000 0.217 475 L C 2.424 179.243 176.870 -0.085 0.000 1.081 475 L CA 2.456 57.264 54.840 -0.053 0.000 0.772 475 L CB -1.063 41.001 42.059 0.009 0.000 0.890 475 L HN 0.963 nan 8.230 nan 0.000 0.437 476 E N -0.457 119.697 120.200 -0.076 0.000 2.047 476 E HA -0.200 4.150 4.350 -0.000 0.000 0.191 476 E C 1.803 178.341 176.600 -0.103 0.000 0.987 476 E CA 1.729 58.061 56.400 -0.113 0.000 0.799 476 E CB -0.279 29.364 29.700 -0.094 0.000 0.752 476 E HN 0.558 nan 8.360 nan 0.000 0.449 477 D N -0.382 119.961 120.400 -0.094 0.000 2.269 477 D HA -0.094 4.546 4.640 -0.000 0.000 0.208 477 D C 1.751 177.801 176.300 -0.417 0.000 0.963 477 D CA 0.374 54.277 54.000 -0.162 0.000 0.864 477 D CB -0.165 40.417 40.800 -0.363 0.000 0.936 477 D HN 0.201 nan 8.370 nan 0.000 0.505 478 L N 0.649 121.727 121.223 -0.242 0.000 2.141 478 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 478 L C 1.677 178.506 176.870 -0.068 0.000 1.094 478 L CA 1.152 55.920 54.840 -0.120 0.000 0.763 478 L CB -0.014 42.005 42.059 -0.067 0.000 0.908 478 L HN 0.034 nan 8.230 nan 0.000 0.437 479 V N -4.422 115.430 119.914 -0.103 0.000 3.342 479 V HA 0.354 4.474 4.120 -0.000 0.000 0.322 479 V C 0.817 176.763 176.094 -0.245 0.000 1.370 479 V CA 0.694 62.937 62.300 -0.096 0.000 1.170 479 V CB -0.470 31.303 31.823 -0.082 0.000 1.101 479 V HN 0.392 nan 8.190 nan 0.000 0.442 480 S N -1.675 113.868 115.700 -0.261 0.000 2.911 480 S HA 0.485 4.955 4.470 -0.000 0.000 0.261 480 S C -0.510 173.723 174.600 -0.612 0.000 1.021 480 S CA -0.171 57.775 58.200 -0.422 0.000 1.222 480 S CB 0.148 63.113 63.200 -0.391 0.000 1.171 480 S HN 0.579 nan 8.310 nan 0.000 0.669 481 Y N 0.800 120.933 120.300 -0.277 0.000 2.480 481 Y HA 0.436 4.986 4.550 0.000 0.000 0.329 481 Y C 0.257 176.122 175.900 -0.059 0.000 1.127 481 Y CA -0.899 57.057 58.100 -0.241 0.000 1.037 481 Y CB 1.485 39.584 38.460 -0.602 0.000 1.320 481 Y HN -0.113 nan 8.280 nan 0.000 0.446 482 N N 0.569 119.402 118.700 0.221 0.000 2.463 482 N HA 0.023 4.763 4.740 -0.000 0.000 0.183 482 N C -0.511 175.124 175.510 0.210 0.000 1.064 482 N CA 0.522 53.704 53.050 0.221 0.000 0.879 482 N CB 0.631 39.223 38.487 0.175 0.000 1.148 482 N HN 0.690 nan 8.380 nan 0.000 0.451 483 Q N 0.634 120.532 119.800 0.163 0.000 2.456 483 Q HA 0.288 4.628 4.340 -0.000 0.000 0.283 483 Q C -0.790 175.171 176.000 -0.066 0.000 1.084 483 Q CA -0.798 55.031 55.803 0.043 0.000 0.801 483 Q CB 1.840 30.556 28.738 -0.038 0.000 1.434 483 Q HN 0.019 nan 8.270 nan 0.000 0.419 484 K N 0.662 120.996 120.400 -0.109 0.000 2.336 484 K HA 0.149 4.469 4.320 -0.000 0.000 0.262 484 K C -0.968 175.402 176.600 -0.385 0.000 0.992 484 K CA 0.115 56.310 56.287 -0.153 0.000 0.927 484 K CB 0.105 32.505 32.500 -0.168 0.000 0.956 484 K HN 0.718 nan 8.250 nan 0.000 0.495 485 H N 0.821 119.918 119.070 0.045 0.000 2.716 485 H HA 0.226 4.782 4.556 -0.000 0.000 0.260 485 H C -0.957 174.374 175.328 0.005 0.000 1.280 485 H CA -0.781 55.284 56.048 0.028 0.000 1.506 485 H CB 0.680 30.465 29.762 0.038 0.000 1.514 485 H HN 0.632 nan 8.280 nan 0.000 0.502 486 N N 1.504 120.264 118.700 0.100 0.000 2.338 486 N HA -0.002 4.738 4.740 -0.000 0.000 0.251 486 N C 0.964 176.522 175.510 0.080 0.000 1.199 486 N CA -0.014 53.080 53.050 0.073 0.000 0.879 486 N CB 0.686 39.212 38.487 0.065 0.000 1.159 486 N HN 0.593 nan 8.380 nan 0.000 0.514 487 E N 0.920 121.162 120.200 0.070 0.000 2.204 487 E HA -0.038 4.312 4.350 -0.000 0.000 0.194 487 E C 1.586 178.185 176.600 -0.002 0.000 0.989 487 E CA 0.427 56.851 56.400 0.040 0.000 0.824 487 E CB 0.152 29.872 29.700 0.035 0.000 0.756 487 E HN 0.363 nan 8.360 nan 0.000 0.477 488 A N 1.683 124.496 122.820 -0.011 0.000 2.024 488 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 488 A C 1.750 179.290 177.584 -0.072 0.000 1.164 488 A CA 1.552 53.557 52.037 -0.053 0.000 0.643 488 A CB -0.782 18.178 19.000 -0.067 0.000 0.806 488 A HN 0.313 nan 8.150 nan 0.000 0.451 489 N N -0.876 117.815 118.700 -0.016 0.000 2.459 489 N HA 0.191 4.931 4.740 -0.000 0.000 0.181 489 N C 0.930 176.356 175.510 -0.140 0.000 1.046 489 N CA 0.355 53.419 53.050 0.023 0.000 0.904 489 N CB -0.077 38.569 38.487 0.265 0.000 0.964 489 N HN 0.629 nan 8.380 nan 0.000 0.444 490 G N 0.719 109.413 108.800 -0.176 0.000 2.256 490 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.272 490 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.272 490 G C -0.111 174.424 174.900 -0.608 0.000 1.076 490 G CA -0.224 44.664 45.100 -0.353 0.000 0.882 490 G HN 0.369 nan 8.290 nan 0.000 0.497 491 F N -0.201 119.757 119.950 0.013 0.000 2.835 491 F HA 0.303 4.830 4.527 -0.000 0.000 0.342 491 F C 0.976 176.772 175.800 -0.006 0.000 1.202 491 F CA -0.984 57.020 58.000 0.006 0.000 1.240 491 F CB 0.174 39.187 39.000 0.020 0.000 1.005 491 F HN 0.105 nan 8.300 nan 0.000 0.507 492 N N 1.967 120.715 118.700 0.079 0.000 2.701 492 N HA -0.348 4.392 4.740 -0.000 0.000 0.252 492 N C 0.534 176.089 175.510 0.075 0.000 1.002 492 N CA 1.208 54.291 53.050 0.055 0.000 0.758 492 N CB -1.499 37.008 38.487 0.033 0.000 0.937 492 N HN 0.615 nan 8.380 nan 0.000 0.538 493 N N -1.665 117.095 118.700 0.102 0.000 2.778 493 N HA -0.311 4.429 4.740 -0.000 0.000 0.249 493 N C 0.361 175.900 175.510 0.047 0.000 1.069 493 N CA 1.273 54.368 53.050 0.076 0.000 0.831 493 N CB -0.551 37.970 38.487 0.057 0.000 1.142 493 N HN 0.662 nan 8.380 nan 0.000 0.573 494 Q N 0.320 120.158 119.800 0.064 0.000 2.331 494 Q HA -0.025 4.315 4.340 -0.000 0.000 0.203 494 Q C 0.277 176.254 176.000 -0.039 0.000 0.944 494 Q CA 0.855 56.665 55.803 0.011 0.000 0.892 494 Q CB 0.097 28.846 28.738 0.018 0.000 0.983 494 Q HN 0.505 nan 8.270 nan 0.000 0.482 495 D N -0.053 120.326 120.400 -0.036 0.000 2.304 495 D HA 0.350 4.990 4.640 -0.000 0.000 0.247 495 D C 0.398 176.637 176.300 -0.102 0.000 1.089 495 D CA 0.322 54.241 54.000 -0.136 0.000 0.910 495 D CB 1.198 41.858 40.800 -0.233 0.000 1.199 495 D HN 0.142 nan 8.370 nan 0.000 0.426 496 G N 1.334 110.049 108.800 -0.142 0.000 2.788 496 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.686 496 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.686 496 G C 0.262 175.081 174.900 -0.135 0.000 1.147 496 G CA -0.422 44.603 45.100 -0.125 0.000 0.755 496 G HN 0.829 nan 8.290 nan 0.000 0.634 497 M N 1.368 120.885 119.600 -0.138 0.000 2.248 497 M HA 0.198 4.678 4.480 -0.000 0.000 0.343 497 M C 0.860 177.044 176.300 -0.192 0.000 1.243 497 M CA 0.432 55.643 55.300 -0.147 0.000 1.025 497 M CB 0.203 32.725 32.600 -0.131 0.000 1.759 497 M HN 0.460 nan 8.290 nan 0.000 0.452 498 N N 1.441 120.040 118.700 -0.168 0.000 2.454 498 N HA 0.034 4.774 4.740 -0.000 0.000 0.177 498 N C -0.438 174.942 175.510 -0.217 0.000 1.049 498 N CA 0.560 53.509 53.050 -0.168 0.000 0.887 498 N CB 0.289 38.705 38.487 -0.119 0.000 1.095 498 N HN 0.686 nan 8.380 nan 0.000 0.446 499 E N 1.520 121.567 120.200 -0.256 0.000 2.003 499 E HA 0.202 4.552 4.350 -0.000 0.000 0.279 499 E C 0.285 176.553 176.600 -0.554 0.000 1.132 499 E CA 0.043 56.170 56.400 -0.455 0.000 0.888 499 E CB 0.119 29.579 29.700 -0.401 0.000 1.056 499 E HN 0.203 nan 8.360 nan 0.000 0.399 500 N N 2.305 120.691 118.700 -0.522 0.000 2.273 500 N HA -0.010 4.730 4.740 -0.000 0.000 0.192 500 N C -0.345 175.096 175.510 -0.114 0.000 1.132 500 N CA 0.022 52.889 53.050 -0.304 0.000 0.887 500 N CB 0.412 38.758 38.487 -0.235 0.000 1.048 500 N HN 0.511 nan 8.380 nan 0.000 0.490 501 Y N 1.351 121.701 120.300 0.083 0.000 3.396 501 Y HA -0.278 4.272 4.550 -0.000 0.000 0.214 501 Y C 0.815 176.827 175.900 0.188 0.000 1.203 501 Y CA 0.048 58.215 58.100 0.111 0.000 1.401 501 Y CB -2.531 35.978 38.460 0.081 0.000 1.409 501 Y HN 0.070 nan 8.280 nan 0.000 0.594 502 S N -1.236 114.650 115.700 0.309 0.000 2.713 502 S HA 0.698 5.168 4.470 -0.000 0.000 0.277 502 S C -0.807 174.035 174.600 0.403 0.000 1.168 502 S CA -0.402 58.014 58.200 0.361 0.000 0.994 502 S CB 2.427 65.894 63.200 0.444 0.000 1.054 502 S HN 0.481 nan 8.310 nan 0.000 0.555 503 W N 1.940 123.318 121.300 0.129 0.000 3.624 503 W HA 0.394 5.054 4.660 -0.000 0.000 0.312 503 W C -0.348 176.183 176.519 0.021 0.000 1.203 503 W CA -0.925 56.468 57.345 0.079 0.000 1.225 503 W CB 1.004 30.515 29.460 0.085 0.000 1.321 503 W HN 0.826 nan 8.180 nan 0.000 0.506 504 N N 2.933 121.465 118.700 -0.279 0.000 2.461 504 N HA -0.045 4.695 4.740 -0.000 0.000 0.188 504 N C 0.866 175.889 175.510 -0.812 0.000 1.134 504 N CA 0.921 53.692 53.050 -0.466 0.000 0.878 504 N CB -0.436 37.881 38.487 -0.282 0.000 0.972 504 N HN 0.479 nan 8.380 nan 0.000 0.456 505 c N -1.761 115.797 118.600 -1.736 0.000 4.392 505 c HA -0.035 4.535 4.570 -0.000 0.000 0.280 505 c C 1.531 175.160 174.090 -0.767 0.000 1.381 505 c CA 0.786 56.056 56.329 -1.766 0.000 1.871 505 c CB -1.916 39.989 42.510 -1.007 0.000 1.323 505 c HN 0.935 nan 8.230 nan 0.000 0.772 506 G N -1.972 106.562 108.800 -0.443 0.000 2.284 506 G HA2 0.376 4.336 3.960 -0.000 0.000 0.201 506 G HA3 0.376 4.336 3.960 -0.000 0.000 0.201 506 G C -0.213 174.612 174.900 -0.125 0.000 0.998 506 G CA 0.672 45.695 45.100 -0.128 0.000 0.651 506 G HN 2.303 nan 8.290 nan 0.000 0.489 507 A N -0.155 122.541 122.820 -0.207 0.000 2.455 507 A HA 0.774 5.094 4.320 -0.000 0.000 0.300 507 A C -0.628 176.817 177.584 -0.230 0.000 1.040 507 A CA -0.068 51.865 52.037 -0.173 0.000 0.697 507 A CB 1.669 20.571 19.000 -0.164 0.000 1.265 507 A HN 0.551 nan 8.150 nan 0.000 0.407 508 E N 1.402 121.497 120.200 -0.174 0.000 2.257 508 E HA 0.482 4.832 4.350 -0.000 0.000 0.278 508 E C 0.959 177.356 176.600 -0.338 0.000 1.049 508 E CA 1.749 58.017 56.400 -0.219 0.000 0.876 508 E CB 0.366 30.045 29.700 -0.035 0.000 1.035 508 E HN 1.943 nan 8.360 nan 0.000 0.419 509 G N 4.598 112.969 108.800 -0.715 0.000 2.598 509 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.244 509 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.244 509 G C -2.197 172.469 174.900 -0.389 0.000 1.302 509 G CA -0.557 44.136 45.100 -0.678 0.000 0.903 509 G HN 0.620 nan 8.290 nan 0.000 0.575 510 P HA 0.469 nan 4.420 nan 0.000 0.268 510 P C -0.041 177.168 177.300 -0.151 0.000 1.204 510 P CA 0.590 63.592 63.100 -0.163 0.000 0.768 510 P CB 1.414 33.054 31.700 -0.101 0.000 0.842 511 T N 1.457 115.925 114.554 -0.143 0.000 2.883 511 T HA 0.280 4.630 4.350 -0.000 0.000 0.301 511 T C 0.824 175.466 174.700 -0.097 0.000 1.158 511 T CA -0.605 61.423 62.100 -0.120 0.000 1.007 511 T CB 0.767 69.552 68.868 -0.137 0.000 1.186 511 T HN 0.125 nan 8.240 nan 0.000 0.499 512 N N 1.413 120.066 118.700 -0.078 0.000 2.424 512 N HA 0.026 4.766 4.740 -0.000 0.000 0.178 512 N C 0.051 175.523 175.510 -0.063 0.000 1.060 512 N CA 0.211 53.224 53.050 -0.063 0.000 0.901 512 N CB 0.108 38.566 38.487 -0.050 0.000 0.979 512 N HN 0.608 nan 8.380 nan 0.000 0.451 513 D N 1.887 122.243 120.400 -0.072 0.000 2.349 513 D HA -0.022 4.618 4.640 -0.000 0.000 0.266 513 D C 0.848 177.104 176.300 -0.073 0.000 1.293 513 D CA 0.073 54.033 54.000 -0.067 0.000 0.926 513 D CB 0.683 41.440 40.800 -0.072 0.000 1.090 513 D HN 0.027 nan 8.370 nan 0.000 0.502 514 Q N 2.496 122.261 119.800 -0.058 0.000 2.437 514 Q HA -0.135 4.205 4.340 -0.000 0.000 0.210 514 Q C 1.781 177.746 176.000 -0.059 0.000 0.972 514 Q CA 1.008 56.777 55.803 -0.058 0.000 0.903 514 Q CB -0.599 28.114 28.738 -0.041 0.000 0.967 514 Q HN 0.741 nan 8.270 nan 0.000 0.486 515 N N 0.893 119.559 118.700 -0.055 0.000 2.171 515 N HA -0.049 4.691 4.740 -0.000 0.000 0.184 515 N C 2.173 177.632 175.510 -0.085 0.000 1.021 515 N CA 1.629 54.648 53.050 -0.052 0.000 0.854 515 N CB -0.917 37.550 38.487 -0.034 0.000 0.994 515 N HN 0.240 nan 8.380 nan 0.000 0.426 516 V N 0.786 120.632 119.914 -0.112 0.000 2.295 516 V HA 0.126 4.246 4.120 -0.000 0.000 0.246 516 V C 3.055 179.034 176.094 -0.192 0.000 1.049 516 V CA 2.954 65.149 62.300 -0.175 0.000 1.024 516 V CB -1.229 30.481 31.823 -0.187 0.000 0.648 516 V HN 0.654 nan 8.190 nan 0.000 0.447 517 V N -0.450 119.371 119.914 -0.155 0.000 2.407 517 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 517 V C 2.497 178.505 176.094 -0.144 0.000 1.055 517 V CA 2.778 64.986 62.300 -0.154 0.000 1.049 517 V CB -0.574 31.176 31.823 -0.122 0.000 0.662 517 V HN 0.594 nan 8.190 nan 0.000 0.455 518 I N -0.468 120.036 120.570 -0.111 0.000 2.286 518 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 518 I C 2.734 178.788 176.117 -0.104 0.000 1.115 518 I CA 1.684 62.931 61.300 -0.089 0.000 1.392 518 I CB -0.410 37.559 38.000 -0.051 0.000 1.065 518 I HN 0.641 nan 8.210 nan 0.000 0.418 519 c N 1.564 120.092 118.600 -0.121 0.000 2.413 519 c HA -0.178 4.392 4.570 -0.000 0.000 0.276 519 c C 3.049 177.033 174.090 -0.176 0.000 1.236 519 c CA 1.206 57.455 56.329 -0.133 0.000 1.735 519 c CB -0.962 41.422 42.510 -0.210 0.000 2.031 519 c HN 0.389 nan 8.230 nan 0.000 0.474 520 R N 0.173 120.537 120.500 -0.227 0.000 2.070 520 R HA -0.083 4.257 4.340 -0.000 0.000 0.233 520 R C 2.354 178.502 176.300 -0.254 0.000 1.137 520 R CA 1.624 57.577 56.100 -0.245 0.000 0.945 520 R CB -0.417 29.725 30.300 -0.264 0.000 0.845 520 R HN 0.588 nan 8.270 nan 0.000 0.430 521 E N 0.829 120.878 120.200 -0.253 0.000 2.077 521 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 521 E C 1.835 178.262 176.600 -0.288 0.000 0.989 521 E CA 1.111 57.330 56.400 -0.302 0.000 0.800 521 E CB -0.110 29.458 29.700 -0.220 0.000 0.746 521 E HN 0.247 nan 8.360 nan 0.000 0.452 522 K N 0.775 121.047 120.400 -0.213 0.000 2.097 522 K HA -0.228 4.092 4.320 -0.000 0.000 0.206 522 K C 2.228 178.670 176.600 -0.263 0.000 1.049 522 K CA 1.552 57.715 56.287 -0.205 0.000 0.933 522 K CB 0.049 32.473 32.500 -0.126 0.000 0.717 522 K HN -0.091 nan 8.250 nan 0.000 0.442 523 Q N 0.834 120.499 119.800 -0.225 0.000 2.083 523 Q HA -0.088 4.252 4.340 -0.000 0.000 0.198 523 Q C 1.579 177.463 176.000 -0.194 0.000 0.969 523 Q CA 1.689 57.357 55.803 -0.224 0.000 0.838 523 Q CB 0.163 28.861 28.738 -0.066 0.000 0.900 523 Q HN 0.202 nan 8.270 nan 0.000 0.436 524 K N -0.293 120.002 120.400 -0.175 0.000 2.032 524 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 524 K C 2.226 178.801 176.600 -0.041 0.000 1.048 524 K CA 1.687 57.900 56.287 -0.123 0.000 0.927 524 K CB -0.115 32.037 32.500 -0.580 0.000 0.712 524 K HN 0.097 nan 8.250 nan 0.000 0.441 525 R N 0.607 120.950 120.500 -0.262 0.000 2.096 525 R HA -0.075 4.265 4.340 -0.000 0.000 0.235 525 R C 2.059 178.197 176.300 -0.270 0.000 1.127 525 R CA 1.382 57.195 56.100 -0.479 0.000 0.968 525 R CB -0.191 29.566 30.300 -0.905 0.000 0.861 525 R HN 0.226 nan 8.270 nan 0.000 0.440 526 N N 0.158 118.573 118.700 -0.474 0.000 2.043 526 N HA -0.180 4.560 4.740 -0.000 0.000 0.193 526 N C 1.649 176.676 175.510 -0.805 0.000 1.037 526 N CA 1.531 54.045 53.050 -0.893 0.000 0.851 526 N CB -0.402 37.107 38.487 -1.630 0.000 1.027 526 N HN 0.146 nan 8.380 nan 0.000 0.422 527 F N 0.856 120.495 119.950 -0.518 0.000 2.102 527 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 527 F C 2.457 178.243 175.800 -0.023 0.000 1.105 527 F CA 0.727 58.587 58.000 -0.234 0.000 1.239 527 F CB -0.161 38.775 39.000 -0.106 0.000 0.991 527 F HN -0.029 nan 8.300 nan 0.000 0.474 528 M N -0.001 119.744 119.600 0.243 0.000 2.202 528 M HA -0.171 4.309 4.480 -0.000 0.000 0.262 528 M C 2.358 178.777 176.300 0.200 0.000 1.063 528 M CA 1.540 56.998 55.300 0.264 0.000 1.097 528 M CB -1.208 31.632 32.600 0.400 0.000 1.382 528 M HN 0.383 nan 8.290 nan 0.000 0.413 529 I N -1.819 118.862 120.570 0.185 0.000 2.480 529 I HA -0.121 4.048 4.170 -0.000 0.000 0.251 529 I C 1.923 178.118 176.117 0.130 0.000 1.124 529 I CA 1.189 62.559 61.300 0.117 0.000 1.444 529 I CB -0.530 37.535 38.000 0.110 0.000 1.098 529 I HN 0.060 nan 8.210 nan 0.000 0.428 530 T N 2.153 116.813 114.554 0.177 0.000 2.665 530 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 530 T C 1.839 176.717 174.700 0.296 0.000 1.035 530 T CA 2.181 64.464 62.100 0.305 0.000 1.151 530 T CB -0.551 68.585 68.868 0.445 0.000 0.862 530 T HN 0.403 nan 8.240 nan 0.000 0.438 531 L N 0.453 121.833 121.223 0.262 0.000 2.046 531 L HA 0.139 4.479 4.340 -0.000 0.000 0.208 531 L C 1.602 178.462 176.870 -0.016 0.000 1.077 531 L CA 1.667 56.630 54.840 0.205 0.000 0.747 531 L CB -0.457 41.707 42.059 0.174 0.000 0.896 531 L HN 0.236 nan 8.230 nan 0.000 0.432 532 L N -1.036 120.138 121.223 -0.081 0.000 2.783 532 L HA 0.126 4.466 4.340 -0.000 0.000 0.236 532 L C 1.097 177.829 176.870 -0.229 0.000 1.225 532 L CA -0.238 54.415 54.840 -0.312 0.000 1.026 532 L CB 0.541 42.447 42.059 -0.255 0.000 1.314 532 L HN 0.086 nan 8.230 nan 0.000 0.489 533 V N -2.256 117.625 119.914 -0.055 0.000 3.451 533 V HA 0.229 4.349 4.120 -0.000 0.000 0.288 533 V C 0.794 177.092 176.094 0.340 0.000 1.502 533 V CA 0.188 62.506 62.300 0.030 0.000 1.026 533 V CB 1.141 33.044 31.823 0.134 0.000 0.840 533 V HN 0.310 nan 8.190 nan 0.000 0.437 534 S N 1.523 117.357 115.700 0.223 0.000 2.585 534 S HA 0.500 4.970 4.470 -0.000 0.000 0.277 534 S C -0.431 174.243 174.600 0.123 0.000 1.241 534 S CA -0.519 57.810 58.200 0.215 0.000 1.041 534 S CB 1.307 64.639 63.200 0.220 0.000 0.987 534 S HN 0.382 nan 8.310 nan 0.000 0.512 535 Q N 0.985 120.804 119.800 0.032 0.000 2.395 535 Q HA 0.486 4.825 4.340 -0.000 0.000 0.271 535 Q C 0.698 176.525 176.000 -0.288 0.000 1.026 535 Q CA 0.535 56.231 55.803 -0.179 0.000 0.900 535 Q CB 0.170 28.731 28.738 -0.294 0.000 1.266 535 Q HN 1.099 nan 8.270 nan 0.000 0.430 536 G N 0.428 108.855 108.800 -0.621 0.000 2.617 536 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.686 536 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.686 536 G C -0.499 174.344 174.900 -0.095 0.000 1.214 536 G CA -0.377 44.432 45.100 -0.486 0.000 0.796 536 G HN 0.708 nan 8.290 nan 0.000 0.654 537 T N 2.872 117.516 114.554 0.150 0.000 2.779 537 T HA 0.624 4.974 4.350 -0.000 0.000 0.296 537 T C -1.732 172.972 174.700 0.007 0.000 0.938 537 T CA -0.655 61.592 62.100 0.245 0.000 1.119 537 T CB 0.964 70.000 68.868 0.279 0.000 0.891 537 T HN 0.547 nan 8.240 nan 0.000 0.526 538 P HA 0.340 nan 4.420 nan 0.000 0.286 538 P C -0.916 176.331 177.300 -0.087 0.000 1.261 538 P CA -0.832 62.188 63.100 -0.134 0.000 0.821 538 P CB 1.007 32.563 31.700 -0.241 0.000 1.013 539 M N 3.619 123.155 119.600 -0.106 0.000 2.326 539 M HA 0.477 4.957 4.480 -0.000 0.000 0.306 539 M C -1.620 174.638 176.300 -0.070 0.000 1.054 539 M CA -0.940 54.291 55.300 -0.115 0.000 0.922 539 M CB 1.335 33.769 32.600 -0.276 0.000 1.632 539 M HN 0.203 nan 8.290 nan 0.000 0.436 540 I N 4.593 125.151 120.570 -0.020 0.000 2.412 540 I HA 0.336 4.506 4.170 -0.000 0.000 0.296 540 I C -0.596 175.481 176.117 -0.066 0.000 0.987 540 I CA -0.880 60.430 61.300 0.016 0.000 1.180 540 I CB 2.016 40.084 38.000 0.114 0.000 1.340 540 I HN 0.677 nan 8.210 nan 0.000 0.455 541 L N 5.563 126.752 121.223 -0.057 0.000 2.315 541 L HA 0.330 4.670 4.340 -0.000 0.000 0.283 541 L C 0.810 177.590 176.870 -0.151 0.000 1.089 541 L CA -0.209 54.571 54.840 -0.099 0.000 0.833 541 L CB 0.495 42.539 42.059 -0.025 0.000 1.170 541 L HN 0.772 nan 8.230 nan 0.000 0.442 542 G N 2.798 111.378 108.800 -0.367 0.000 2.224 542 G HA2 0.302 4.262 3.960 -0.000 0.000 0.239 542 G HA3 0.302 4.262 3.960 -0.000 0.000 0.239 542 G C 0.938 175.785 174.900 -0.089 0.000 1.240 542 G CA 0.520 45.444 45.100 -0.292 0.000 0.896 542 G HN 1.177 nan 8.290 nan 0.000 0.496 543 G N 2.359 111.028 108.800 -0.218 0.000 2.308 543 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.221 543 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.221 543 G C 1.014 175.795 174.900 -0.197 0.000 1.032 543 G CA 0.782 45.473 45.100 -0.681 0.000 0.623 543 G HN 0.624 nan 8.290 nan 0.000 0.506 544 D N 1.533 121.916 120.400 -0.029 0.000 2.149 544 D HA 0.045 4.685 4.640 -0.000 0.000 0.198 544 D C 2.296 178.742 176.300 0.243 0.000 0.990 544 D CA 1.690 55.751 54.000 0.102 0.000 0.839 544 D CB -0.203 40.669 40.800 0.120 0.000 0.948 544 D HN 0.692 nan 8.370 nan 0.000 0.460 545 E N 0.403 120.713 120.200 0.183 0.000 2.110 545 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 545 E C 1.809 178.532 176.600 0.204 0.000 0.988 545 E CA 0.568 57.048 56.400 0.134 0.000 0.804 545 E CB -0.495 29.309 29.700 0.173 0.000 0.745 545 E HN 0.313 nan 8.360 nan 0.000 0.458 546 L N 0.629 121.924 121.223 0.121 0.000 2.627 546 L HA 0.149 4.489 4.340 -0.000 0.000 0.233 546 L C -0.096 176.791 176.870 0.028 0.000 1.144 546 L CA -0.092 54.764 54.840 0.026 0.000 0.892 546 L CB -0.521 41.402 42.059 -0.228 0.000 1.039 546 L HN -0.032 nan 8.230 nan 0.000 0.442 547 S N 0.358 116.136 115.700 0.130 0.000 3.631 547 S HA -0.231 4.239 4.470 -0.000 0.000 0.366 547 S C 0.699 175.263 174.600 -0.061 0.000 0.993 547 S CA 0.526 58.749 58.200 0.039 0.000 1.167 547 S CB -1.379 61.819 63.200 -0.002 0.000 0.909 547 S HN 0.612 nan 8.310 nan 0.000 0.478 548 R N 1.184 121.616 120.500 -0.114 0.000 2.590 548 R HA 0.348 4.688 4.340 -0.000 0.000 0.274 548 R C 0.267 176.505 176.300 -0.103 0.000 1.061 548 R CA 0.769 56.761 56.100 -0.179 0.000 1.081 548 R CB 0.562 30.649 30.300 -0.355 0.000 0.984 548 R HN 0.311 nan 8.270 nan 0.000 0.448 549 T N 1.918 116.425 114.554 -0.078 0.000 2.916 549 T HA 0.204 4.554 4.350 -0.000 0.000 0.298 549 T C -0.302 174.382 174.700 -0.027 0.000 1.031 549 T CA -0.689 61.389 62.100 -0.035 0.000 0.993 549 T CB 1.883 70.746 68.868 -0.008 0.000 1.045 549 T HN 0.749 nan 8.240 nan 0.000 0.454 550 Q N 2.466 122.255 119.800 -0.019 0.000 2.189 550 Q HA 0.224 4.564 4.340 -0.000 0.000 0.221 550 Q C 0.338 176.308 176.000 -0.050 0.000 0.848 550 Q CA -0.499 55.290 55.803 -0.025 0.000 1.007 550 Q CB 0.281 29.030 28.738 0.019 0.000 1.116 550 Q HN 0.794 nan 8.270 nan 0.000 0.481 551 R N -0.769 119.713 120.500 -0.030 0.000 3.158 551 R HA -0.271 4.069 4.340 -0.000 0.000 0.244 551 R C 0.445 176.629 176.300 -0.193 0.000 0.900 551 R CA 0.666 56.786 56.100 0.034 0.000 0.618 551 R CB -2.924 27.421 30.300 0.074 0.000 1.061 551 R HN 0.501 nan 8.270 nan 0.000 0.471 552 G N -0.071 108.245 108.800 -0.807 0.000 2.253 552 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.251 552 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.251 552 G C 0.126 174.930 174.900 -0.159 0.000 0.998 552 G CA 0.397 44.861 45.100 -1.060 0.000 0.621 552 G HN 0.759 nan 8.290 nan 0.000 0.524 553 N N 1.521 120.186 118.700 -0.058 0.000 2.427 553 N HA 0.273 5.013 4.740 -0.000 0.000 0.269 553 N C 1.469 177.030 175.510 0.085 0.000 1.235 553 N CA 0.470 53.536 53.050 0.027 0.000 0.934 553 N CB 0.203 38.692 38.487 0.003 0.000 1.121 553 N HN 0.439 nan 8.380 nan 0.000 0.480 554 N N 2.597 121.312 118.700 0.026 0.000 2.280 554 N HA -0.038 4.702 4.740 -0.000 0.000 0.192 554 N C -0.547 174.973 175.510 0.018 0.000 1.109 554 N CA 0.127 53.133 53.050 -0.073 0.000 0.855 554 N CB 0.114 38.254 38.487 -0.578 0.000 0.974 554 N HN 0.473 nan 8.380 nan 0.000 0.482 555 N N 0.030 118.765 118.700 0.059 0.000 2.651 555 N HA 0.278 5.018 4.740 -0.000 0.000 0.277 555 N C -1.085 174.408 175.510 -0.028 0.000 1.787 555 N CA -0.274 52.813 53.050 0.061 0.000 0.818 555 N CB 0.600 39.083 38.487 -0.006 0.000 1.316 555 N HN 0.226 nan 8.380 nan 0.000 0.503 556 A N 1.165 123.987 122.820 0.003 0.000 2.810 556 A HA 0.140 4.460 4.320 -0.000 0.000 0.247 556 A C 1.019 178.310 177.584 -0.489 0.000 1.576 556 A CA -0.464 51.501 52.037 -0.120 0.000 1.294 556 A CB -1.543 17.472 19.000 0.025 0.000 0.976 556 A HN 0.661 nan 8.150 nan 0.000 0.631 557 F N -1.239 118.025 119.950 -1.145 0.000 2.451 557 F HA -0.081 4.446 4.527 -0.000 0.000 0.299 557 F C 1.420 176.951 175.800 -0.448 0.000 1.101 557 F CA 0.879 57.967 58.000 -1.521 0.000 1.436 557 F CB -0.621 37.634 39.000 -1.242 0.000 1.074 557 F HN 0.354 nan 8.300 nan 0.000 0.553 558 C N -0.702 117.996 119.300 -1.004 0.000 3.125 558 C HA 0.402 4.862 4.460 -0.000 0.000 0.284 558 C C 0.329 175.074 174.990 -0.408 0.000 1.386 558 C CA -0.571 57.998 59.018 -0.748 0.000 1.763 558 C CB -1.085 26.037 27.740 -1.031 0.000 2.377 558 C HN 0.340 nan 8.230 nan 0.000 0.620 559 Q N 2.066 121.633 119.800 -0.389 0.000 2.636 559 Q HA 0.214 4.554 4.340 -0.000 0.000 0.233 559 Q C -0.847 174.712 176.000 -0.735 0.000 1.143 559 Q CA 0.447 55.984 55.803 -0.444 0.000 0.969 559 Q CB 0.719 29.221 28.738 -0.394 0.000 1.185 559 Q HN 0.524 nan 8.270 nan 0.000 0.546 560 D N 2.879 122.963 120.400 -0.526 0.000 2.713 560 D HA 0.067 4.707 4.640 -0.000 0.000 0.229 560 D C -0.128 175.693 176.300 -0.798 0.000 1.136 560 D CA 0.178 53.834 54.000 -0.573 0.000 1.010 560 D CB -0.163 40.729 40.800 0.153 0.000 1.084 560 D HN 0.524 nan 8.370 nan 0.000 0.495 561 N N -0.430 117.363 118.700 -1.511 0.000 3.526 561 N HA 0.034 4.774 4.740 -0.000 0.000 0.328 561 N C 0.709 175.140 175.510 -1.798 0.000 1.601 561 N CA -0.644 51.623 53.050 -1.306 0.000 0.834 561 N CB 0.614 38.764 38.487 -0.562 0.000 1.983 561 N HN -0.067 nan 8.380 nan 0.000 0.579 562 E N 0.408 120.110 120.200 -0.830 0.000 2.114 562 E HA -0.170 4.180 4.350 -0.000 0.000 0.199 562 E C 1.788 178.180 176.600 -0.346 0.000 1.008 562 E CA 1.688 57.841 56.400 -0.411 0.000 0.810 562 E CB -0.231 29.386 29.700 -0.139 0.000 0.739 562 E HN 0.468 nan 8.360 nan 0.000 0.456 563 I N 0.493 120.839 120.570 -0.374 0.000 2.151 563 I HA -0.318 3.852 4.170 -0.000 0.000 0.243 563 I C 2.633 178.621 176.117 -0.216 0.000 1.080 563 I CA 1.960 63.110 61.300 -0.251 0.000 1.339 563 I CB -0.379 37.472 38.000 -0.247 0.000 1.039 563 I HN 0.281 nan 8.210 nan 0.000 0.409 564 T N -3.676 110.651 114.554 -0.378 0.000 3.040 564 T HA -0.029 4.321 4.350 -0.000 0.000 0.252 564 T C 0.485 175.281 174.700 0.159 0.000 1.064 564 T CA -0.419 61.575 62.100 -0.177 0.000 1.110 564 T CB -0.568 68.035 68.868 -0.442 0.000 0.921 564 T HN 0.243 nan 8.240 nan 0.000 0.480 565 W N 1.386 122.721 121.300 0.057 0.000 2.293 565 W HA 0.321 4.981 4.660 -0.000 0.000 0.342 565 W C -0.200 176.479 176.519 0.266 0.000 1.274 565 W CA -1.730 55.735 57.345 0.200 0.000 1.290 565 W CB 0.099 29.639 29.460 0.132 0.000 1.176 565 W HN 0.003 nan 8.180 nan 0.000 0.570 566 F N 2.145 122.261 119.950 0.277 0.000 2.538 566 F HA -0.028 4.499 4.527 -0.000 0.000 0.371 566 F C 0.576 176.271 175.800 -0.176 0.000 1.087 566 F CA -0.414 57.560 58.000 -0.044 0.000 1.250 566 F CB 0.045 38.946 39.000 -0.165 0.000 1.110 566 F HN 0.170 nan 8.300 nan 0.000 0.570 567 D N 3.505 123.803 120.400 -0.170 0.000 2.443 567 D HA 0.173 4.813 4.640 -0.000 0.000 0.221 567 D C -0.307 175.868 176.300 -0.209 0.000 1.097 567 D CA -0.326 53.619 54.000 -0.092 0.000 0.865 567 D CB 0.227 41.003 40.800 -0.040 0.000 1.034 567 D HN 0.401 nan 8.370 nan 0.000 0.511 568 W N 2.716 124.064 121.300 0.081 0.000 3.466 568 W HA 0.175 4.835 4.660 -0.000 0.000 0.323 568 W C 0.307 176.844 176.519 0.030 0.000 1.264 568 W CA -0.745 56.621 57.345 0.035 0.000 1.750 568 W CB -0.284 29.161 29.460 -0.025 0.000 1.040 568 W HN 0.223 nan 8.180 nan 0.000 0.742 569 N N 2.079 120.870 118.700 0.151 0.000 2.468 569 N HA 0.039 4.779 4.740 -0.000 0.000 0.265 569 N C 0.251 175.824 175.510 0.105 0.000 1.199 569 N CA 0.233 53.350 53.050 0.111 0.000 0.928 569 N CB 0.733 39.262 38.487 0.069 0.000 1.059 569 N HN 0.177 nan 8.380 nan 0.000 0.467 570 L N -0.497 120.789 121.223 0.106 0.000 2.727 570 L HA 0.341 4.681 4.340 -0.000 0.000 0.237 570 L C 0.506 177.421 176.870 0.075 0.000 1.370 570 L CA -0.618 54.283 54.840 0.101 0.000 1.248 570 L CB -0.373 41.745 42.059 0.099 0.000 1.556 570 L HN 0.192 nan 8.230 nan 0.000 0.420 571 D N 1.174 121.612 120.400 0.064 0.000 2.414 571 D HA -0.070 4.570 4.640 -0.000 0.000 0.242 571 D C 0.770 177.102 176.300 0.054 0.000 1.129 571 D CA 0.196 54.224 54.000 0.047 0.000 0.885 571 D CB 1.282 42.101 40.800 0.031 0.000 1.198 571 D HN 0.522 nan 8.370 nan 0.000 0.437 572 E N 3.217 123.444 120.200 0.045 0.000 2.106 572 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 572 E C 1.866 178.499 176.600 0.056 0.000 0.984 572 E CA 0.470 56.901 56.400 0.051 0.000 0.806 572 E CB 0.198 29.922 29.700 0.040 0.000 0.750 572 E HN 0.492 nan 8.360 nan 0.000 0.458 573 R N 0.946 121.468 120.500 0.037 0.000 2.103 573 R HA -0.188 4.152 4.340 -0.000 0.000 0.234 573 R C 2.301 178.641 176.300 0.068 0.000 1.132 573 R CA 2.126 58.242 56.100 0.027 0.000 0.925 573 R CB -0.041 30.252 30.300 -0.013 0.000 0.842 573 R HN -0.006 nan 8.270 nan 0.000 0.430 574 K N -0.186 120.254 120.400 0.067 0.000 2.044 574 K HA -0.170 4.150 4.320 -0.000 0.000 0.210 574 K C 2.320 179.023 176.600 0.171 0.000 1.049 574 K CA 1.804 58.160 56.287 0.116 0.000 0.927 574 K CB -0.338 32.207 32.500 0.076 0.000 0.713 574 K HN 0.140 nan 8.250 nan 0.000 0.443 575 S N 0.929 116.710 115.700 0.135 0.000 2.368 575 S HA -0.143 4.327 4.470 -0.000 0.000 0.225 575 S C 1.941 176.633 174.600 0.152 0.000 1.030 575 S CA 1.249 59.534 58.200 0.140 0.000 0.999 575 S CB -0.028 63.239 63.200 0.112 0.000 0.844 575 S HN 0.150 nan 8.310 nan 0.000 0.459 576 K N -0.444 120.045 120.400 0.150 0.000 2.280 576 K HA -0.069 4.251 4.320 -0.000 0.000 0.202 576 K C 1.729 178.473 176.600 0.240 0.000 1.047 576 K CA 0.887 57.270 56.287 0.161 0.000 0.942 576 K CB -0.309 32.268 32.500 0.127 0.000 0.739 576 K HN 0.505 nan 8.250 nan 0.000 0.457 577 F N 1.052 121.052 119.950 0.083 0.000 2.220 577 F HA -0.093 4.434 4.527 -0.000 0.000 0.290 577 F C 1.958 177.856 175.800 0.164 0.000 1.080 577 F CA 0.339 58.398 58.000 0.099 0.000 1.318 577 F CB -0.608 38.409 39.000 0.028 0.000 1.063 577 F HN -0.098 nan 8.300 nan 0.000 0.498 578 L N 0.960 122.235 121.223 0.086 0.000 2.089 578 L HA -0.233 4.107 4.340 -0.000 0.000 0.213 578 L C 2.160 179.038 176.870 0.013 0.000 1.079 578 L CA 1.979 56.837 54.840 0.030 0.000 0.758 578 L CB -0.911 41.243 42.059 0.158 0.000 0.891 578 L HN 0.108 nan 8.230 nan 0.000 0.433 579 E N -0.922 119.320 120.200 0.070 0.000 2.072 579 E HA -0.242 4.108 4.350 -0.000 0.000 0.191 579 E C 2.094 178.719 176.600 0.043 0.000 0.985 579 E CA 1.536 57.975 56.400 0.065 0.000 0.801 579 E CB -0.560 29.200 29.700 0.098 0.000 0.750 579 E HN 0.620 nan 8.360 nan 0.000 0.452 580 F N 1.214 121.110 119.950 -0.091 0.000 2.084 580 F HA -0.210 4.317 4.527 -0.000 0.000 0.296 580 F C 2.250 177.940 175.800 -0.184 0.000 1.111 580 F CA 1.076 59.010 58.000 -0.110 0.000 1.224 580 F CB -0.187 38.775 39.000 -0.064 0.000 0.991 580 F HN -0.200 nan 8.300 nan 0.000 0.471 581 V N 0.876 120.701 119.914 -0.149 0.000 2.287 581 V HA -0.340 3.780 4.120 -0.000 0.000 0.248 581 V C 2.436 178.435 176.094 -0.159 0.000 1.053 581 V CA 2.222 64.404 62.300 -0.197 0.000 1.027 581 V CB -0.814 30.846 31.823 -0.271 0.000 0.646 581 V HN 0.273 nan 8.190 nan 0.000 0.447 582 K N -0.054 120.272 120.400 -0.123 0.000 2.034 582 K HA -0.292 4.028 4.320 -0.000 0.000 0.214 582 K C 2.372 178.914 176.600 -0.096 0.000 1.051 582 K CA 2.024 58.256 56.287 -0.091 0.000 0.931 582 K CB -0.302 32.163 32.500 -0.059 0.000 0.715 582 K HN 0.326 nan 8.250 nan 0.000 0.446 583 K N 0.374 120.689 120.400 -0.143 0.000 2.097 583 K HA -0.169 4.151 4.320 -0.000 0.000 0.206 583 K C 2.162 178.670 176.600 -0.153 0.000 1.049 583 K CA 1.309 57.507 56.287 -0.148 0.000 0.933 583 K CB -0.016 32.361 32.500 -0.205 0.000 0.717 583 K HN 0.019 nan 8.250 nan 0.000 0.442 584 M N 0.982 120.415 119.600 -0.280 0.000 2.160 584 M HA -0.023 4.457 4.480 -0.000 0.000 0.264 584 M C 1.726 178.028 176.300 0.002 0.000 1.073 584 M CA 1.272 56.447 55.300 -0.209 0.000 1.142 584 M CB -0.132 32.251 32.600 -0.362 0.000 1.358 584 M HN 0.100 nan 8.290 nan 0.000 0.422 585 I N -0.165 120.391 120.570 -0.023 0.000 2.118 585 I HA -0.371 3.799 4.170 -0.000 0.000 0.241 585 I C 2.341 178.515 176.117 0.096 0.000 1.070 585 I CA 1.290 62.618 61.300 0.046 0.000 1.327 585 I CB -0.659 37.344 38.000 0.005 0.000 1.034 585 I HN 0.297 nan 8.210 nan 0.000 0.405 586 Q N 0.211 120.041 119.800 0.050 0.000 2.096 586 Q HA -0.272 4.068 4.340 -0.000 0.000 0.208 586 Q C 2.041 178.104 176.000 0.105 0.000 0.993 586 Q CA 2.065 57.901 55.803 0.055 0.000 0.862 586 Q CB -0.749 28.011 28.738 0.038 0.000 0.915 586 Q HN 0.535 nan 8.270 nan 0.000 0.416 587 F N -0.656 119.299 119.950 0.009 0.000 2.134 587 F HA -0.252 4.275 4.527 0.000 0.000 0.299 587 F C 2.083 177.953 175.800 0.117 0.000 1.097 587 F CA 1.463 59.506 58.000 0.072 0.000 1.264 587 F CB -0.488 38.499 39.000 -0.021 0.000 1.001 587 F HN 0.208 nan 8.300 nan 0.000 0.479 588 Y N 1.527 121.771 120.300 -0.093 0.000 2.145 588 Y HA -0.182 4.368 4.550 -0.000 0.000 0.286 588 Y C 2.517 178.361 175.900 -0.092 0.000 1.145 588 Y CA 1.937 59.934 58.100 -0.170 0.000 1.148 588 Y CB -0.507 37.899 38.460 -0.090 0.000 0.981 588 Y HN -0.088 nan 8.280 nan 0.000 0.507 589 R N 0.162 120.605 120.500 -0.095 0.000 2.096 589 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 589 R C 2.339 178.509 176.300 -0.216 0.000 1.127 589 R CA 1.137 57.134 56.100 -0.171 0.000 0.968 589 R CB -1.113 29.157 30.300 -0.050 0.000 0.861 589 R HN 0.449 nan 8.270 nan 0.000 0.440 590 A N 0.818 123.501 122.820 -0.228 0.000 2.172 590 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 590 A C -0.089 177.113 177.584 -0.636 0.000 1.154 590 A CA 0.821 52.632 52.037 -0.378 0.000 0.701 590 A CB -0.217 18.571 19.000 -0.353 0.000 0.789 590 A HN 0.363 nan 8.150 nan 0.000 0.465 591 H N -1.297 117.618 119.070 -0.258 0.000 3.092 591 H HA 0.275 4.831 4.556 -0.000 0.000 0.308 591 H C -2.300 172.938 175.328 -0.150 0.000 1.047 591 H CA -1.466 54.468 56.048 -0.191 0.000 1.466 591 H CB 1.447 31.009 29.762 -0.333 0.000 1.597 591 H HN 0.049 nan 8.280 nan 0.000 0.512 592 P HA -0.065 nan 4.420 nan 0.000 0.251 592 P C 1.005 178.298 177.300 -0.011 0.000 1.251 592 P CA 0.472 63.551 63.100 -0.036 0.000 0.763 592 P CB 0.095 31.780 31.700 -0.026 0.000 1.067 593 A N -0.150 122.625 122.820 -0.075 0.000 1.930 593 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 593 A C 1.441 178.848 177.584 -0.295 0.000 1.175 593 A CA 0.992 52.904 52.037 -0.209 0.000 0.627 593 A CB -1.435 17.356 19.000 -0.348 0.000 0.815 593 A HN 0.167 nan 8.150 nan 0.000 0.443 594 F N -0.749 119.188 119.950 -0.020 0.000 2.693 594 F HA 0.304 4.831 4.527 -0.000 0.000 0.303 594 F C 0.929 176.791 175.800 0.102 0.000 1.143 594 F CA 0.262 58.296 58.000 0.057 0.000 1.389 594 F CB 0.168 39.263 39.000 0.159 0.000 1.060 594 F HN -0.014 nan 8.300 nan 0.000 0.535 595 R N 0.528 121.146 120.500 0.197 0.000 2.638 595 R HA 0.232 4.572 4.340 -0.000 0.000 0.269 595 R C -0.568 175.988 176.300 0.427 0.000 1.393 595 R CA -0.473 55.873 56.100 0.411 0.000 1.531 595 R CB 0.506 30.896 30.300 0.149 0.000 1.327 595 R HN -0.124 nan 8.270 nan 0.000 0.709 596 R N 0.852 121.505 120.500 0.256 0.000 2.368 596 R HA 0.189 4.529 4.340 -0.000 0.000 0.302 596 R C 0.720 177.218 176.300 0.330 0.000 1.002 596 R CA -0.514 55.743 56.100 0.262 0.000 0.929 596 R CB 1.157 31.616 30.300 0.266 0.000 1.073 596 R HN 0.211 nan 8.270 nan 0.000 0.464 597 E N 2.010 122.394 120.200 0.306 0.000 2.112 597 E HA -0.085 4.265 4.350 -0.000 0.000 0.190 597 E C -0.145 176.526 176.600 0.118 0.000 0.979 597 E CA 1.042 57.587 56.400 0.242 0.000 0.814 597 E CB 0.292 30.087 29.700 0.158 0.000 0.762 597 E HN 0.351 nan 8.360 nan 0.000 0.460 598 R N -0.617 119.976 120.500 0.156 0.000 2.310 598 R HA 0.331 4.671 4.340 -0.000 0.000 0.316 598 R C -0.342 176.095 176.300 0.228 0.000 1.004 598 R CA -0.282 55.900 56.100 0.136 0.000 0.900 598 R CB -0.415 29.942 30.300 0.095 0.000 1.152 598 R HN -0.078 nan 8.270 nan 0.000 0.513 599 Y N 1.033 121.385 120.300 0.088 0.000 2.666 599 Y HA 0.432 4.982 4.550 -0.000 0.000 0.260 599 Y C -0.462 175.745 175.900 0.511 0.000 1.089 599 Y CA -0.414 57.833 58.100 0.245 0.000 1.246 599 Y CB 0.785 39.385 38.460 0.233 0.000 1.353 599 Y HN 0.445 nan 8.280 nan 0.000 0.558 613 V N 0.495 120.527 119.914 0.196 0.000 2.612 613 V HA 0.853 4.973 4.120 -0.000 0.000 0.301 613 V C 0.078 176.249 176.094 0.130 0.000 1.046 613 V CA -0.273 62.147 62.300 0.200 0.000 0.946 613 V CB 1.651 33.620 31.823 0.243 0.000 1.003 613 V HN 0.222 nan 8.190 nan 0.000 0.459 614 T N 2.970 117.581 114.554 0.094 0.000 2.928 614 T HA 0.680 5.030 4.350 -0.000 0.000 0.296 614 T C -1.235 173.500 174.700 0.059 0.000 1.000 614 T CA -0.254 61.892 62.100 0.076 0.000 0.989 614 T CB 0.657 69.569 68.868 0.073 0.000 1.005 614 T HN 0.455 nan 8.240 nan 0.000 0.442 615 F N 3.607 123.607 119.950 0.083 0.000 2.399 615 F HA 0.704 5.231 4.527 -0.000 0.000 0.328 615 F C -0.281 175.483 175.800 -0.059 0.000 1.084 615 F CA -0.468 57.672 58.000 0.232 0.000 1.053 615 F CB 1.197 40.386 39.000 0.314 0.000 1.209 615 F HN 0.523 nan 8.300 nan 0.000 0.502 616 Y N -0.609 119.896 120.300 0.342 0.000 2.602 616 Y HA 0.488 5.038 4.550 -0.000 0.000 0.342 616 Y C 0.407 176.406 175.900 0.165 0.000 1.029 616 Y CA -1.110 57.090 58.100 0.167 0.000 1.080 616 Y CB 1.897 40.396 38.460 0.066 0.000 1.284 616 Y HN 0.622 nan 8.280 nan 0.000 0.485 617 T N -1.916 112.783 114.554 0.241 0.000 2.884 617 T HA 0.304 4.654 4.350 -0.000 0.000 0.277 617 T C 0.909 175.698 174.700 0.149 0.000 0.976 617 T CA -0.653 61.546 62.100 0.164 0.000 0.956 617 T CB 0.791 69.710 68.868 0.085 0.000 1.113 617 T HN 0.693 nan 8.240 nan 0.000 0.554 618 L N 0.864 122.153 121.223 0.110 0.000 1.989 618 L HA -0.056 4.284 4.340 -0.000 0.000 0.211 618 L C 2.500 179.405 176.870 0.059 0.000 1.071 618 L CA 1.809 56.692 54.840 0.072 0.000 0.749 618 L CB -0.485 41.610 42.059 0.060 0.000 0.890 618 L HN 0.907 nan 8.230 nan 0.000 0.431 619 E N 0.075 120.314 120.200 0.065 0.000 2.365 619 E HA 0.026 4.376 4.350 -0.000 0.000 0.188 619 E C 1.024 177.673 176.600 0.083 0.000 1.102 619 E CA 0.624 57.062 56.400 0.063 0.000 0.927 619 E CB -0.616 29.116 29.700 0.053 0.000 1.073 619 E HN 0.471 nan 8.360 nan 0.000 0.467 620 G N 1.991 110.853 108.800 0.103 0.000 2.249 620 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.273 620 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.273 620 G C 0.076 175.132 174.900 0.261 0.000 1.036 620 G CA 0.717 45.905 45.100 0.146 0.000 0.824 620 G HN 0.620 nan 8.290 nan 0.000 0.504 621 R N -1.123 119.508 120.500 0.219 0.000 2.902 621 R HA 0.828 5.168 4.340 -0.000 0.000 0.258 621 R C 0.253 176.538 176.300 -0.025 0.000 1.071 621 R CA -0.882 55.299 56.100 0.134 0.000 1.024 621 R CB 1.336 31.671 30.300 0.059 0.000 1.184 621 R HN 0.198 nan 8.270 nan 0.000 0.492 622 E N 0.077 120.176 120.200 -0.169 0.000 2.435 622 E HA 0.096 4.446 4.350 -0.000 0.000 0.256 622 E C -0.848 175.642 176.600 -0.184 0.000 1.245 622 E CA -0.337 55.874 56.400 -0.315 0.000 0.989 622 E CB 0.812 30.372 29.700 -0.234 0.000 0.983 622 E HN 0.331 nan 8.360 nan 0.000 0.480 623 V N 3.012 122.814 119.914 -0.186 0.000 2.293 623 V HA 0.123 4.243 4.120 -0.000 0.000 0.275 623 V C -0.433 175.575 176.094 -0.144 0.000 1.021 623 V CA -0.564 61.644 62.300 -0.155 0.000 0.815 623 V CB 1.065 32.775 31.823 -0.189 0.000 1.025 623 V HN 0.678 nan 8.190 nan 0.000 0.448 624 D N 3.066 123.404 120.400 -0.103 0.000 2.344 624 D HA 0.227 4.867 4.640 -0.000 0.000 0.244 624 D C 0.574 176.847 176.300 -0.045 0.000 1.134 624 D CA -0.136 53.812 54.000 -0.087 0.000 0.930 624 D CB 0.888 41.652 40.800 -0.061 0.000 1.175 624 D HN 0.620 nan 8.370 nan 0.000 0.437 625 E N 1.248 121.425 120.200 -0.038 0.000 2.485 625 E HA -0.082 4.268 4.350 -0.000 0.000 0.266 625 E C 0.796 177.416 176.600 0.034 0.000 1.137 625 E CA 0.417 56.839 56.400 0.037 0.000 1.010 625 E CB 0.521 30.228 29.700 0.013 0.000 0.986 625 E HN 0.568 nan 8.360 nan 0.000 0.460 626 K N -0.942 119.490 120.400 0.052 0.000 8.125 626 K HA -0.307 4.013 4.320 -0.000 0.000 0.489 626 K C 1.575 178.184 176.600 0.015 0.000 0.360 626 K CA 1.894 58.194 56.287 0.022 0.000 1.963 626 K CB -1.748 30.755 32.500 0.005 0.000 0.652 626 K HN 0.622 nan 8.250 nan 0.000 0.914 627 T N 0.534 115.089 114.554 0.003 0.000 2.746 627 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 627 T C 1.162 175.820 174.700 -0.070 0.000 1.039 627 T CA 1.486 63.565 62.100 -0.036 0.000 1.142 627 T CB -0.494 68.328 68.868 -0.076 0.000 0.866 627 T HN 0.531 nan 8.240 nan 0.000 0.444 628 W N 1.682 122.830 121.300 -0.253 0.000 2.595 628 W HA 0.047 4.707 4.660 -0.000 0.000 0.257 628 W C 1.073 177.534 176.519 -0.097 0.000 1.267 628 W CA 0.554 57.740 57.345 -0.265 0.000 1.300 628 W CB -0.082 29.231 29.460 -0.245 0.000 1.120 628 W HN 0.246 nan 8.180 nan 0.000 0.618 629 S N -0.204 115.474 115.700 -0.036 0.000 2.520 629 S HA -0.011 4.459 4.470 -0.000 0.000 0.219 629 S C 0.690 175.241 174.600 -0.081 0.000 1.028 629 S CA 0.134 58.279 58.200 -0.091 0.000 0.921 629 S CB 0.265 63.464 63.200 -0.001 0.000 0.844 629 S HN 0.148 nan 8.310 nan 0.000 0.495 630 S N 2.601 118.277 115.700 -0.040 0.000 2.586 630 S HA 0.498 4.968 4.470 -0.000 0.000 0.274 630 S C -3.002 171.580 174.600 -0.031 0.000 1.281 630 S CA -1.532 56.650 58.200 -0.032 0.000 1.035 630 S CB 0.346 63.539 63.200 -0.011 0.000 0.962 630 S HN -0.067 nan 8.310 nan 0.000 0.512 631 P HA 0.100 nan 4.420 nan 0.000 0.264 631 P C -0.144 177.142 177.300 -0.023 0.000 1.173 631 P CA 0.457 63.521 63.100 -0.060 0.000 0.761 631 P CB 0.340 32.002 31.700 -0.064 0.000 0.794 632 T N 1.470 116.000 114.554 -0.039 0.000 2.901 632 T HA 0.300 4.650 4.350 -0.000 0.000 0.293 632 T C 0.098 174.788 174.700 -0.017 0.000 1.084 632 T CA -0.391 61.704 62.100 -0.007 0.000 1.008 632 T CB 1.200 70.076 68.868 0.015 0.000 1.170 632 T HN 0.310 nan 8.240 nan 0.000 0.509 633 Q N 0.754 120.535 119.800 -0.031 0.000 2.164 633 Q HA 0.352 4.692 4.340 -0.000 0.000 0.226 633 Q C -0.830 175.099 176.000 -0.120 0.000 0.813 633 Q CA -0.147 55.567 55.803 -0.148 0.000 0.978 633 Q CB 1.112 29.724 28.738 -0.209 0.000 1.149 633 Q HN 0.452 nan 8.270 nan 0.000 0.489 634 L N 0.480 121.717 121.223 0.023 0.000 2.439 634 L HA 0.476 4.816 4.340 -0.000 0.000 0.270 634 L C -1.513 175.393 176.870 0.061 0.000 0.972 634 L CA -0.753 54.121 54.840 0.056 0.000 0.836 634 L CB 2.014 44.098 42.059 0.041 0.000 1.255 634 L HN -0.290 nan 8.230 nan 0.000 0.404 635 V N 6.213 126.173 119.914 0.077 0.000 2.417 635 V HA 0.587 4.707 4.120 -0.000 0.000 0.291 635 V C -0.387 175.872 176.094 0.276 0.000 1.024 635 V CA -0.327 62.020 62.300 0.077 0.000 0.861 635 V CB 1.580 33.349 31.823 -0.091 0.000 0.985 635 V HN 0.608 nan 8.190 nan 0.000 0.436 636 I N 6.238 127.064 120.570 0.426 0.000 2.498 636 I HA 0.750 4.920 4.170 -0.000 0.000 0.290 636 I C -0.572 175.857 176.117 0.519 0.000 1.032 636 I CA -0.295 61.182 61.300 0.296 0.000 1.073 636 I CB 1.728 39.814 38.000 0.143 0.000 1.251 636 I HN 0.661 nan 8.210 nan 0.000 0.426 637 F N 3.607 123.586 119.950 0.048 0.000 2.693 637 F HA 0.854 5.381 4.527 0.000 0.000 0.309 637 F C -1.794 173.962 175.800 -0.073 0.000 1.129 637 F CA -1.191 56.773 58.000 -0.060 0.000 0.948 637 F CB 1.219 39.871 39.000 -0.580 0.000 1.315 637 F HN 0.055 nan 8.300 nan 0.000 0.447 638 V N 3.232 123.200 119.914 0.090 0.000 2.409 638 V HA 0.333 4.453 4.120 -0.000 0.000 0.291 638 V C -0.201 176.005 176.094 0.186 0.000 1.020 638 V CA -0.710 61.633 62.300 0.071 0.000 0.848 638 V CB 1.722 33.647 31.823 0.171 0.000 0.990 638 V HN 0.747 nan 8.190 nan 0.000 0.430 639 L N 4.705 126.034 121.223 0.177 0.000 2.454 639 L HA 0.298 4.638 4.340 -0.000 0.000 0.284 639 L C 0.534 177.520 176.870 0.194 0.000 1.139 639 L CA 0.045 55.003 54.840 0.196 0.000 0.911 639 L CB 0.440 42.557 42.059 0.097 0.000 1.262 639 L HN 0.728 nan 8.230 nan 0.000 0.453 640 E N 3.356 123.669 120.200 0.188 0.000 2.283 640 E HA 0.676 5.026 4.350 -0.000 0.000 0.271 640 E C 0.352 177.025 176.600 0.122 0.000 1.031 640 E CA 0.389 56.883 56.400 0.157 0.000 0.868 640 E CB 1.502 31.296 29.700 0.156 0.000 1.094 640 E HN 0.587 nan 8.360 nan 0.000 0.401 641 G N 1.540 110.392 108.800 0.088 0.000 2.725 641 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.220 641 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.220 641 G C 0.223 175.163 174.900 0.067 0.000 1.357 641 G CA -0.044 45.096 45.100 0.067 0.000 0.866 641 G HN 0.832 nan 8.290 nan 0.000 0.548 642 S N -2.433 113.302 115.700 0.058 0.000 4.476 642 S HA 0.139 4.609 4.470 -0.000 0.000 0.193 642 S C 0.601 175.232 174.600 0.051 0.000 1.131 642 S CA 0.466 58.699 58.200 0.056 0.000 1.198 642 S CB -0.006 63.217 63.200 0.037 0.000 1.566 642 S HN 1.532 nan 8.310 nan 0.000 0.507 643 V N 6.174 126.110 119.914 0.038 0.000 2.450 643 V HA 0.095 4.215 4.120 -0.000 0.000 0.264 643 V C 0.172 176.287 176.094 0.035 0.000 0.996 643 V CA 0.668 62.986 62.300 0.030 0.000 1.138 643 V CB -1.344 30.491 31.823 0.020 0.000 1.051 643 V HN 0.469 nan 8.190 nan 0.000 0.470 644 M N 3.286 122.908 119.600 0.036 0.000 2.644 644 M HA 0.772 5.252 4.480 -0.000 0.000 0.316 644 M C -0.986 175.327 176.300 0.022 0.000 1.200 644 M CA -0.822 54.502 55.300 0.039 0.000 0.944 644 M CB 2.211 34.842 32.600 0.052 0.000 1.691 644 M HN 0.476 nan 8.290 nan 0.000 0.471 645 D N 0.729 121.141 120.400 0.021 0.000 2.404 645 D HA 0.292 4.932 4.640 -0.000 0.000 0.267 645 D C -0.277 176.022 176.300 -0.001 0.000 1.194 645 D CA -0.508 53.495 54.000 0.004 0.000 0.910 645 D CB 0.828 41.628 40.800 0.001 0.000 1.090 645 D HN 0.549 nan 8.370 nan 0.000 0.511 646 E N 1.423 121.617 120.200 -0.010 0.000 2.275 646 E HA 0.296 4.646 4.350 -0.000 0.000 0.239 646 E C 1.087 177.685 176.600 -0.004 0.000 0.897 646 E CA -0.598 55.796 56.400 -0.010 0.000 1.044 646 E CB 0.212 29.901 29.700 -0.019 0.000 1.416 646 E HN 0.404 nan 8.360 nan 0.000 0.513 647 I N 1.097 121.659 120.570 -0.013 0.000 9.216 647 I HA -0.263 3.907 4.170 -0.000 0.000 0.126 647 I C -0.844 175.260 176.117 -0.023 0.000 1.859 647 I CA 0.266 61.553 61.300 -0.021 0.000 2.053 647 I CB -0.075 37.916 38.000 -0.016 0.000 3.960 647 I HN 0.289 nan 8.210 nan 0.000 0.174 648 N N 6.547 125.233 118.700 -0.024 0.000 2.904 648 N HA 0.618 5.358 4.740 -0.000 0.000 0.257 648 N C -0.781 174.725 175.510 -0.008 0.000 1.363 648 N CA -0.337 52.700 53.050 -0.021 0.000 0.856 648 N CB 0.948 39.416 38.487 -0.031 0.000 1.166 648 N HN 0.517 nan 8.380 nan 0.000 0.499 649 M N -1.742 117.861 119.600 0.005 0.000 3.012 649 M HA 0.328 4.808 4.480 -0.000 0.000 0.272 649 M C -1.539 174.799 176.300 0.062 0.000 1.187 649 M CA -0.948 54.376 55.300 0.040 0.000 0.813 649 M CB 1.817 34.441 32.600 0.039 0.000 1.626 649 M HN 0.018 nan 8.290 nan 0.000 0.507 650 Y N 1.910 122.202 120.300 -0.014 0.000 2.784 650 Y HA 0.388 4.938 4.550 -0.000 0.000 0.355 650 Y C 1.198 177.094 175.900 -0.008 0.000 1.198 650 Y CA 2.125 60.219 58.100 -0.011 0.000 1.588 650 Y CB -0.274 38.180 38.460 -0.011 0.000 1.220 650 Y HN 1.016 nan 8.280 nan 0.000 0.517 651 G N 4.565 113.212 108.800 -0.255 0.000 2.295 651 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.287 651 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.287 651 G C -0.306 174.562 174.900 -0.053 0.000 1.055 651 G CA 0.286 45.257 45.100 -0.215 0.000 0.922 651 G HN 0.687 nan 8.290 nan 0.000 0.503 652 E N -0.207 119.978 120.200 -0.025 0.000 2.402 652 E HA 0.285 4.635 4.350 -0.000 0.000 0.244 652 E C 0.438 177.035 176.600 -0.006 0.000 0.945 652 E CA -0.746 55.654 56.400 0.001 0.000 0.774 652 E CB 1.064 30.778 29.700 0.023 0.000 1.296 652 E HN 0.461 nan 8.360 nan 0.000 0.414 653 R N 2.590 123.086 120.500 -0.007 0.000 2.438 653 R HA 0.373 4.713 4.340 -0.000 0.000 0.287 653 R C 0.582 176.884 176.300 0.004 0.000 1.077 653 R CA -0.069 56.029 56.100 -0.003 0.000 1.034 653 R CB 0.473 30.771 30.300 -0.003 0.000 0.993 653 R HN 0.465 nan 8.270 nan 0.000 0.459 654 I N -1.178 119.396 120.570 0.007 0.000 3.204 654 I HA 0.824 4.994 4.170 -0.000 0.000 0.313 654 I C -0.391 175.737 176.117 0.020 0.000 1.082 654 I CA -1.281 60.025 61.300 0.011 0.000 1.033 654 I CB 1.837 39.841 38.000 0.007 0.000 1.304 654 I HN 0.512 nan 8.210 nan 0.000 0.536 655 A N 1.564 124.400 122.820 0.026 0.000 2.414 655 A HA 0.481 4.801 4.320 -0.000 0.000 0.286 655 A C -1.472 176.145 177.584 0.055 0.000 1.073 655 A CA -0.438 51.620 52.037 0.036 0.000 0.727 655 A CB 1.055 20.070 19.000 0.025 0.000 1.215 655 A HN 0.731 nan 8.150 nan 0.000 0.430 656 D N 1.510 121.959 120.400 0.082 0.000 2.225 656 D HA 0.278 4.918 4.640 -0.000 0.000 0.249 656 D C -0.315 176.063 176.300 0.131 0.000 1.052 656 D CA 0.091 54.181 54.000 0.151 0.000 0.909 656 D CB 1.066 41.980 40.800 0.190 0.000 1.186 656 D HN 0.498 nan 8.370 nan 0.000 0.431 657 D N 0.634 121.118 120.400 0.140 0.000 2.419 657 D HA -0.020 4.620 4.640 -0.000 0.000 0.236 657 D C -0.201 175.932 176.300 -0.279 0.000 1.165 657 D CA 0.546 54.473 54.000 -0.121 0.000 0.882 657 D CB 0.653 41.291 40.800 -0.270 0.000 1.201 657 D HN 0.110 nan 8.370 nan 0.000 0.443 658 S N 0.632 116.138 115.700 -0.323 0.000 2.513 658 S HA 0.368 4.838 4.470 -0.000 0.000 0.276 658 S C -0.476 173.967 174.600 -0.262 0.000 1.254 658 S CA -0.441 57.667 58.200 -0.153 0.000 1.053 658 S CB 0.187 63.369 63.200 -0.029 0.000 0.958 658 S HN 0.178 nan 8.310 nan 0.000 0.491 659 F N 2.236 122.306 119.950 0.201 0.000 2.546 659 F HA 0.620 5.147 4.527 -0.000 0.000 0.320 659 F C -0.189 175.711 175.800 0.167 0.000 1.076 659 F CA -1.034 57.135 58.000 0.282 0.000 0.928 659 F CB 1.347 40.462 39.000 0.192 0.000 1.189 659 F HN 0.327 nan 8.300 nan 0.000 0.465 660 L N 3.748 125.109 121.223 0.230 0.000 2.325 660 L HA 0.747 5.087 4.340 -0.000 0.000 0.281 660 L C -1.514 175.229 176.870 -0.212 0.000 1.004 660 L CA -0.302 54.343 54.840 -0.324 0.000 0.823 660 L CB 0.909 42.285 42.059 -1.138 0.000 1.236 660 L HN 0.470 nan 8.230 nan 0.000 0.415 661 I N 6.359 126.642 120.570 -0.479 0.000 2.389 661 I HA 0.444 4.614 4.170 -0.000 0.000 0.288 661 I C -0.497 175.455 176.117 -0.276 0.000 0.999 661 I CA -0.092 60.976 61.300 -0.386 0.000 1.129 661 I CB 1.611 39.234 38.000 -0.629 0.000 1.288 661 I HN 0.451 nan 8.210 nan 0.000 0.444 662 I N 7.209 127.733 120.570 -0.077 0.000 2.382 662 I HA 0.421 4.591 4.170 -0.000 0.000 0.286 662 I C -0.890 175.301 176.117 0.123 0.000 1.002 662 I CA -0.580 60.711 61.300 -0.016 0.000 1.135 662 I CB 1.160 39.099 38.000 -0.101 0.000 1.288 662 I HN 0.308 nan 8.210 nan 0.000 0.448 663 L N 6.014 127.348 121.223 0.184 0.000 2.316 663 L HA 0.440 4.780 4.340 -0.000 0.000 0.280 663 L C -0.435 176.511 176.870 0.127 0.000 1.006 663 L CA -0.453 54.560 54.840 0.288 0.000 0.836 663 L CB 1.326 43.612 42.059 0.379 0.000 1.221 663 L HN 0.485 nan 8.230 nan 0.000 0.418 664 N N 1.984 120.746 118.700 0.103 0.000 2.546 664 N HA 0.460 5.200 4.740 -0.000 0.000 0.238 664 N C 0.384 175.773 175.510 -0.201 0.000 0.984 664 N CA -0.129 52.891 53.050 -0.049 0.000 0.935 664 N CB 1.860 40.353 38.487 0.010 0.000 1.122 664 N HN 0.673 nan 8.380 nan 0.000 0.510 665 A N 3.235 125.668 122.820 -0.646 0.000 2.095 665 A HA 0.047 4.367 4.320 -0.000 0.000 0.212 665 A C 0.922 178.234 177.584 -0.453 0.000 1.162 665 A CA -0.063 51.465 52.037 -0.848 0.000 0.753 665 A CB -0.467 17.357 19.000 -1.960 0.000 0.840 665 A HN 0.674 nan 8.150 nan 0.000 0.468 666 N N 1.552 120.046 118.700 -0.343 0.000 2.365 666 N HA 0.009 4.749 4.740 -0.000 0.000 0.265 666 N C -1.672 173.759 175.510 -0.133 0.000 1.288 666 N CA -1.166 51.760 53.050 -0.207 0.000 0.869 666 N CB 0.794 39.202 38.487 -0.132 0.000 1.071 666 N HN 0.096 nan 8.380 nan 0.000 0.480 667 P HA -0.060 nan 4.420 nan 0.000 0.239 667 P C -0.770 176.514 177.300 -0.027 0.000 1.184 667 P CA 0.739 63.799 63.100 -0.067 0.000 0.760 667 P CB 0.110 31.755 31.700 -0.092 0.000 0.884 668 N N 0.708 119.389 118.700 -0.032 0.000 2.405 668 N HA 0.140 4.880 4.740 -0.000 0.000 0.299 668 N C 0.107 175.622 175.510 0.009 0.000 1.075 668 N CA -0.621 52.425 53.050 -0.007 0.000 0.884 668 N CB 0.747 39.225 38.487 -0.014 0.000 1.194 668 N HN 0.019 nan 8.380 nan 0.000 0.491 669 N N 0.178 118.896 118.700 0.030 0.000 2.237 669 N HA 0.018 4.758 4.740 -0.000 0.000 0.245 669 N C -0.290 175.243 175.510 0.038 0.000 1.239 669 N CA 0.578 53.658 53.050 0.049 0.000 0.842 669 N CB 0.602 39.123 38.487 0.057 0.000 1.089 669 N HN 0.301 nan 8.380 nan 0.000 0.454 670 V N -1.188 118.756 119.914 0.049 0.000 3.087 670 V HA 0.443 4.563 4.120 -0.000 0.000 0.306 670 V C -0.691 175.438 176.094 0.058 0.000 1.187 670 V CA -1.129 61.196 62.300 0.042 0.000 0.999 670 V CB 2.113 33.952 31.823 0.026 0.000 1.049 670 V HN 0.524 nan 8.190 nan 0.000 0.431 671 K N 1.641 122.072 120.400 0.053 0.000 2.293 671 K HA 0.760 5.080 4.320 -0.000 0.000 0.267 671 K C -1.334 175.300 176.600 0.057 0.000 1.010 671 K CA -0.504 55.822 56.287 0.065 0.000 0.875 671 K CB 1.729 34.264 32.500 0.058 0.000 1.106 671 K HN 0.711 nan 8.250 nan 0.000 0.450 672 V N 4.521 124.474 119.914 0.065 0.000 2.435 672 V HA 0.252 4.372 4.120 -0.000 0.000 0.290 672 V C -0.163 175.968 176.094 0.061 0.000 1.030 672 V CA -0.875 61.431 62.300 0.010 0.000 0.881 672 V CB 1.496 33.249 31.823 -0.117 0.000 0.983 672 V HN 0.671 nan 8.190 nan 0.000 0.445 673 K N 4.067 124.485 120.400 0.031 0.000 2.285 673 K HA 0.363 4.683 4.320 -0.000 0.000 0.286 673 K C -0.699 175.902 176.600 0.002 0.000 1.072 673 K CA -0.407 55.925 56.287 0.076 0.000 0.913 673 K CB 0.245 32.787 32.500 0.069 0.000 1.067 673 K HN 0.428 nan 8.250 nan 0.000 0.479 674 F N 5.481 125.354 119.950 -0.128 0.000 2.496 674 F HA 0.159 4.686 4.527 -0.000 0.000 0.344 674 F C -1.540 174.167 175.800 -0.154 0.000 1.155 674 F CA -1.543 56.313 58.000 -0.240 0.000 1.302 674 F CB 0.192 39.060 39.000 -0.219 0.000 1.159 674 F HN 0.560 nan 8.300 nan 0.000 0.595 675 P HA 0.156 nan 4.420 nan 0.000 0.279 675 P C -1.070 176.446 177.300 0.360 0.000 1.282 675 P CA -0.782 62.333 63.100 0.025 0.000 0.788 675 P CB 0.457 31.969 31.700 -0.314 0.000 1.139 676 K N 0.232 120.809 120.400 0.294 0.000 2.542 676 K HA 0.304 4.624 4.320 -0.000 0.000 0.276 676 K C 0.906 177.622 176.600 0.193 0.000 0.963 676 K CA 1.380 57.803 56.287 0.227 0.000 0.975 676 K CB -0.866 31.724 32.500 0.151 0.000 0.901 676 K HN 0.880 nan 8.250 nan 0.000 0.506 677 G N 1.310 110.121 108.800 0.018 0.000 2.660 677 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.247 677 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.247 677 G C -1.256 173.488 174.900 -0.260 0.000 1.328 677 G CA -0.791 44.192 45.100 -0.195 0.000 0.884 677 G HN 0.487 nan 8.290 nan 0.000 0.531 678 K N -0.487 119.684 120.400 -0.381 0.000 2.183 678 K HA 0.491 4.811 4.320 -0.000 0.000 0.274 678 K C -0.944 175.371 176.600 -0.476 0.000 1.009 678 K CA -0.195 55.921 56.287 -0.286 0.000 0.888 678 K CB 1.343 33.740 32.500 -0.171 0.000 1.078 678 K HN 0.431 nan 8.250 nan 0.000 0.459 679 W N 1.468 122.783 121.300 0.025 0.000 2.632 679 W HA 0.289 4.949 4.660 -0.000 0.000 0.328 679 W C -0.142 176.548 176.519 0.286 0.000 1.044 679 W CA -0.558 56.879 57.345 0.154 0.000 1.225 679 W CB 1.553 31.098 29.460 0.141 0.000 1.396 679 W HN 0.513 nan 8.180 nan 0.000 0.499 680 E N 3.232 123.785 120.200 0.589 0.000 2.216 680 E HA 0.205 4.555 4.350 -0.000 0.000 0.260 680 E C -1.058 175.583 176.600 0.070 0.000 0.880 680 E CA -0.806 55.786 56.400 0.320 0.000 0.765 680 E CB 1.204 30.990 29.700 0.143 0.000 1.174 680 E HN 0.427 nan 8.360 nan 0.000 0.417 681 L N 7.158 128.188 121.223 -0.322 0.000 2.597 681 L HA 0.021 4.361 4.340 -0.000 0.000 0.271 681 L C 0.832 177.522 176.870 -0.301 0.000 1.157 681 L CA 0.582 54.943 54.840 -0.799 0.000 0.928 681 L CB 0.860 42.576 42.059 -0.572 0.000 1.216 681 L HN 0.765 nan 8.230 nan 0.000 0.481 682 V N 5.552 125.311 119.914 -0.258 0.000 2.825 682 V HA 0.324 4.444 4.120 -0.000 0.000 0.246 682 V C 0.788 176.735 176.094 -0.246 0.000 1.068 682 V CA 0.434 62.633 62.300 -0.169 0.000 1.088 682 V CB 0.451 32.214 31.823 -0.101 0.000 0.733 682 V HN 0.692 nan 8.190 nan 0.000 0.468 683 I N 0.223 120.625 120.570 -0.280 0.000 2.842 683 I HA 0.597 4.767 4.170 -0.000 0.000 0.296 683 I C -1.132 174.930 176.117 -0.092 0.000 1.538 683 I CA 0.367 61.540 61.300 -0.212 0.000 0.994 683 I CB 2.102 39.877 38.000 -0.375 0.000 1.372 683 I HN 0.419 nan 8.210 nan 0.000 0.478 684 S N 2.376 118.110 115.700 0.056 0.000 2.625 684 S HA 0.417 4.887 4.470 -0.000 0.000 0.271 684 S C 0.115 174.824 174.600 0.183 0.000 1.161 684 S CA 0.077 58.339 58.200 0.104 0.000 0.820 684 S CB 1.428 64.707 63.200 0.132 0.000 1.137 684 S HN 0.799 nan 8.310 nan 0.000 0.470 685 S N -0.744 114.962 115.700 0.009 0.000 2.593 685 S HA 0.188 4.658 4.470 -0.000 0.000 0.217 685 S C 0.145 174.702 174.600 -0.073 0.000 0.966 685 S CA -0.309 57.833 58.200 -0.097 0.000 0.914 685 S CB -0.951 62.117 63.200 -0.220 0.000 0.776 685 S HN 0.642 nan 8.310 nan 0.000 0.523 686 Y N 2.051 122.368 120.300 0.028 0.000 2.745 686 Y HA 0.055 4.605 4.550 0.000 0.000 0.335 686 Y C 1.346 177.255 175.900 0.014 0.000 1.212 686 Y CA -0.336 57.779 58.100 0.024 0.000 1.535 686 Y CB 0.104 38.590 38.460 0.043 0.000 1.220 686 Y HN 0.133 nan 8.280 nan 0.000 0.531 687 L N 3.356 124.668 121.223 0.148 0.000 2.179 687 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 687 L C 1.300 178.225 176.870 0.091 0.000 1.096 687 L CA 0.427 55.317 54.840 0.083 0.000 0.779 687 L CB -0.264 41.811 42.059 0.027 0.000 0.922 687 L HN 0.593 nan 8.230 nan 0.000 0.443 688 R N 1.711 122.272 120.500 0.102 0.000 2.774 688 R HA 0.072 4.412 4.340 -0.000 0.000 0.269 688 R C 0.091 176.405 176.300 0.023 0.000 1.068 688 R CA -0.528 55.600 56.100 0.046 0.000 1.180 688 R CB 0.029 30.340 30.300 0.018 0.000 1.077 688 R HN 0.028 nan 8.270 nan 0.000 0.513 689 E N 1.756 121.954 120.200 -0.005 0.000 2.418 689 E HA -0.011 4.339 4.350 -0.000 0.000 0.261 689 E C -0.440 176.120 176.600 -0.066 0.000 1.070 689 E CA -0.199 56.191 56.400 -0.016 0.000 0.931 689 E CB 0.354 30.046 29.700 -0.013 0.000 0.954 689 E HN 0.490 nan 8.360 nan 0.000 0.439 690 I N 1.740 122.279 120.570 -0.051 0.000 2.331 690 I HA 0.122 4.292 4.170 -0.000 0.000 0.292 690 I C 0.710 176.786 176.117 -0.068 0.000 0.998 690 I CA -0.313 60.937 61.300 -0.084 0.000 1.267 690 I CB 0.926 38.909 38.000 -0.029 0.000 1.386 690 I HN 0.224 nan 8.210 nan 0.000 0.476 691 K N 7.614 127.957 120.400 -0.094 0.000 2.270 691 K HA 0.186 4.506 4.320 -0.000 0.000 0.276 691 K C -1.596 174.988 176.600 -0.028 0.000 1.023 691 K CA -1.223 55.030 56.287 -0.057 0.000 0.955 691 K CB 0.439 32.899 32.500 -0.066 0.000 0.975 691 K HN 0.258 nan 8.250 nan 0.000 0.471 692 P HA -0.261 nan 4.420 nan 0.000 0.217 692 P C 0.706 178.006 177.300 -0.001 0.000 1.148 692 P CA 1.332 64.429 63.100 -0.006 0.000 0.834 692 P CB 0.156 31.853 31.700 -0.006 0.000 0.783 693 E N -0.083 120.114 120.200 -0.005 0.000 2.502 693 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 693 E C 0.950 177.554 176.600 0.007 0.000 1.062 693 E CA 0.752 57.148 56.400 -0.006 0.000 0.867 693 E CB -0.413 29.280 29.700 -0.011 0.000 0.888 693 E HN 0.363 nan 8.360 nan 0.000 0.510 694 E N 0.768 120.986 120.200 0.030 0.000 2.473 694 E HA 0.052 4.402 4.350 -0.000 0.000 0.204 694 E C 2.069 178.752 176.600 0.138 0.000 0.994 694 E CA -0.096 56.362 56.400 0.097 0.000 0.945 694 E CB 0.266 30.007 29.700 0.069 0.000 0.990 694 E HN 0.261 nan 8.360 nan 0.000 0.493 695 R N 1.047 121.590 120.500 0.073 0.000 2.119 695 R HA 0.102 4.442 4.340 -0.000 0.000 0.222 695 R C 0.979 177.343 176.300 0.108 0.000 1.088 695 R CA 0.746 56.882 56.100 0.061 0.000 0.984 695 R CB 0.203 30.520 30.300 0.028 0.000 0.884 695 R HN 0.101 nan 8.270 nan 0.000 0.447 696 I N 0.614 121.241 120.570 0.096 0.000 2.644 696 I HA 0.411 4.581 4.170 -0.000 0.000 0.291 696 I C -1.846 174.277 176.117 0.010 0.000 1.180 696 I CA -1.243 60.111 61.300 0.091 0.000 1.040 696 I CB 2.037 40.066 38.000 0.049 0.000 1.255 696 I HN -0.013 nan 8.210 nan 0.000 0.422 697 I N 7.073 127.623 120.570 -0.032 0.000 2.619 697 I HA 0.461 4.631 4.170 -0.000 0.000 0.292 697 I C -0.858 175.196 176.117 -0.104 0.000 1.100 697 I CA -0.059 61.117 61.300 -0.207 0.000 1.043 697 I CB 2.194 39.765 38.000 -0.714 0.000 1.239 697 I HN 0.587 nan 8.210 nan 0.000 0.420 698 E N 3.005 123.160 120.200 -0.075 0.000 2.446 698 E HA 0.673 5.023 4.350 -0.000 0.000 0.276 698 E C 0.093 176.702 176.600 0.015 0.000 0.969 698 E CA -1.261 55.136 56.400 -0.005 0.000 0.800 698 E CB 1.555 31.241 29.700 -0.023 0.000 1.341 698 E HN 0.833 nan 8.360 nan 0.000 0.460 699 G N 1.203 110.030 108.800 0.044 0.000 2.366 699 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.299 699 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.299 699 G C 0.203 175.142 174.900 0.065 0.000 1.020 699 G CA 1.092 46.221 45.100 0.048 0.000 1.026 699 G HN 0.758 nan 8.290 nan 0.000 0.512 700 E N -2.174 118.091 120.200 0.109 0.000 3.680 700 E HA -0.223 4.127 4.350 -0.000 0.000 0.309 700 E C 1.236 177.900 176.600 0.106 0.000 0.793 700 E CA 1.793 58.269 56.400 0.127 0.000 1.083 700 E CB -0.514 29.249 29.700 0.105 0.000 1.548 700 E HN 0.717 nan 8.360 nan 0.000 0.456 701 K N 1.722 122.158 120.400 0.059 0.000 2.436 701 K HA 0.053 4.373 4.320 -0.000 0.000 0.275 701 K C 0.350 176.987 176.600 0.062 0.000 0.999 701 K CA 0.345 56.656 56.287 0.040 0.000 0.980 701 K CB 0.325 32.827 32.500 0.004 0.000 0.919 701 K HN 0.207 nan 8.250 nan 0.000 0.484 702 E N 2.403 122.651 120.200 0.080 0.000 2.331 702 E HA 0.181 4.531 4.350 -0.000 0.000 0.272 702 E C -0.223 176.448 176.600 0.117 0.000 1.036 702 E CA -0.461 56.015 56.400 0.128 0.000 0.864 702 E CB 1.166 30.922 29.700 0.094 0.000 1.035 702 E HN 0.297 nan 8.360 nan 0.000 0.408 703 L N 1.784 123.129 121.223 0.204 0.000 2.334 703 L HA 0.223 4.563 4.340 -0.000 0.000 0.276 703 L C -0.281 176.691 176.870 0.169 0.000 1.014 703 L CA -0.844 54.105 54.840 0.182 0.000 0.815 703 L CB 1.709 43.930 42.059 0.269 0.000 1.268 703 L HN 0.404 nan 8.230 nan 0.000 0.428 704 E N 4.542 124.822 120.200 0.135 0.000 1.865 704 E HA 0.182 4.532 4.350 -0.000 0.000 0.269 704 E C -0.686 176.017 176.600 0.173 0.000 1.177 704 E CA -0.342 56.132 56.400 0.123 0.000 0.932 704 E CB -0.148 29.606 29.700 0.090 0.000 1.066 704 E HN 0.235 nan 8.360 nan 0.000 0.405 705 I N 3.162 123.835 120.570 0.172 0.000 2.471 705 I HA 0.094 4.264 4.170 -0.000 0.000 0.286 705 I C 1.076 177.295 176.117 0.170 0.000 1.079 705 I CA -0.062 61.359 61.300 0.202 0.000 1.398 705 I CB 0.444 38.521 38.000 0.129 0.000 1.403 705 I HN 0.544 nan 8.210 nan 0.000 0.530 706 E N 3.525 123.866 120.200 0.235 0.000 2.408 706 E HA 0.321 4.671 4.350 -0.000 0.000 0.259 706 E C 0.380 177.024 176.600 0.072 0.000 1.110 706 E CA -0.384 56.122 56.400 0.178 0.000 0.929 706 E CB 0.921 30.809 29.700 0.313 0.000 0.971 706 E HN 0.789 nan 8.360 nan 0.000 0.438 707 G N 1.868 110.704 108.800 0.059 0.000 2.442 707 G HA2 0.114 4.074 3.960 -0.000 0.000 0.249 707 G HA3 0.114 4.074 3.960 -0.000 0.000 0.249 707 G C -0.535 174.383 174.900 0.032 0.000 1.263 707 G CA -0.292 44.825 45.100 0.028 0.000 0.846 707 G HN 0.785 nan 8.290 nan 0.000 0.555 708 R N -0.160 120.365 120.500 0.040 0.000 3.267 708 R HA -0.148 4.192 4.340 -0.000 0.000 0.254 708 R C -0.524 175.831 176.300 0.090 0.000 0.993 708 R CA 0.948 57.121 56.100 0.121 0.000 0.670 708 R CB -2.453 27.910 30.300 0.104 0.000 1.125 708 R HN 0.595 nan 8.270 nan 0.000 0.434 709 T N -0.460 114.154 114.554 0.100 0.000 2.893 709 T HA 0.729 5.079 4.350 -0.000 0.000 0.293 709 T C -0.504 174.245 174.700 0.082 0.000 1.027 709 T CA -0.272 61.786 62.100 -0.069 0.000 0.988 709 T CB 2.192 70.864 68.868 -0.326 0.000 1.043 709 T HN 0.381 nan 8.240 nan 0.000 0.461 710 A N 2.494 125.310 122.820 -0.007 0.000 2.350 710 A HA 0.936 5.256 4.320 -0.000 0.000 0.324 710 A C -1.507 176.102 177.584 0.041 0.000 1.118 710 A CA -0.662 51.444 52.037 0.115 0.000 0.783 710 A CB 0.644 19.704 19.000 0.100 0.000 1.236 710 A HN 0.666 nan 8.150 nan 0.000 0.457 711 L N 1.157 122.441 121.223 0.101 0.000 2.472 711 L HA 0.596 4.936 4.340 -0.000 0.000 0.260 711 L C -0.958 175.996 176.870 0.140 0.000 0.963 711 L CA -0.398 54.516 54.840 0.123 0.000 0.829 711 L CB 2.360 44.577 42.059 0.263 0.000 1.348 711 L HN 0.424 nan 8.230 nan 0.000 0.408 712 V N 1.932 121.883 119.914 0.062 0.000 2.483 712 V HA 0.540 4.660 4.120 -0.000 0.000 0.297 712 V C -1.271 174.878 176.094 0.093 0.000 1.027 712 V CA -0.696 61.661 62.300 0.095 0.000 0.855 712 V CB 1.503 33.285 31.823 -0.069 0.000 0.995 712 V HN 0.482 nan 8.190 nan 0.000 0.424 713 Y N 3.422 123.858 120.300 0.226 0.000 2.429 713 Y HA 0.715 5.265 4.550 -0.000 0.000 0.342 713 Y C 0.502 176.713 175.900 0.519 0.000 1.004 713 Y CA -0.995 57.322 58.100 0.360 0.000 1.075 713 Y CB 1.989 40.689 38.460 0.400 0.000 1.214 713 Y HN 0.703 nan 8.280 nan 0.000 0.455 714 R N 2.118 122.918 120.500 0.499 0.000 2.474 714 R HA 0.628 4.968 4.340 -0.000 0.000 0.295 714 R C -0.482 175.865 176.300 0.078 0.000 0.980 714 R CA -1.042 55.117 56.100 0.097 0.000 0.934 714 R CB 1.642 31.813 30.300 -0.214 0.000 1.101 714 R HN 0.660 nan 8.270 nan 0.000 0.469 715 R N 2.443 122.750 120.500 -0.322 0.000 2.641 715 R HA 0.121 4.461 4.340 -0.000 0.000 0.269 715 R C 0.647 176.726 176.300 -0.369 0.000 1.074 715 R CA 0.041 55.712 56.100 -0.715 0.000 1.133 715 R CB 0.524 30.250 30.300 -0.956 0.000 1.029 715 R HN 0.976 nan 8.270 nan 0.000 0.488 716 I N -2.296 118.078 120.570 -0.327 0.000 4.592 716 I HA 0.415 4.585 4.170 -0.000 0.000 0.329 716 I C -0.552 175.461 176.117 -0.173 0.000 1.309 716 I CA -0.239 60.949 61.300 -0.187 0.000 1.243 716 I CB 0.683 38.619 38.000 -0.107 0.000 1.241 716 I HN 0.453 nan 8.210 nan 0.000 0.434 717 E N 1.119 121.184 120.200 -0.226 0.000 2.388 717 E HA 0.545 4.895 4.350 -0.000 0.000 0.280 717 E C -1.798 174.679 176.600 -0.204 0.000 1.019 717 E CA -0.646 55.650 56.400 -0.172 0.000 0.806 717 E CB 3.277 32.905 29.700 -0.120 0.000 1.246 717 E HN 0.164 nan 8.360 nan 0.000 0.443 718 L N 0.000 121.137 121.223 -0.143 0.000 2.949 718 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 718 L CA 0.000 54.781 54.840 -0.098 0.000 0.813 718 L CB 0.000 42.020 42.059 -0.065 0.000 0.961 718 L HN 0.000 nan 8.230 nan 0.000 0.502