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 2y4l_1_A DATA FIRST_RESID 2 DATA SEQUENCE SLVVFPFKHE HPEVLLHNVR VAAAHPRVHE VLCIGYERDQ TYEAVERAAP DATA SEQUENCE EISRATGTPV SVRLQERLGT LRPGKGDGMN TALRYFLEET QWERIHFYDA DATA SEQUENCE DITSFGPDWI TKAEEAADFG YGLVRHYFPR ASTDAMITWM ITRTGFALLW DATA SEQUENCE PHTELSWIEQ PLGGELLMRR EVAAMLYEDE RVRRRSDWGI DTLYTFVTVA DATA SEQUENCE AGVSIYECYI PEGKAHRLYG GLDDLRTMLV ECFAAIQSLQ HEVVGQPAIH DATA SEQUENCE RQEHPHRVPV HIAERVGYDV EATLHRLMQH WTPRQVELLE LFTTPVREGL DATA SEQUENCE RTCQRRPAFN FMDEMAWAAT YHVLLEHFQP GDPDWEELLF KLWTTRVLNY DATA SEQUENCE TMTVALRGYD YAQQYLYRML GRYRYQAALE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.444 174.600 -0.259 0.000 1.055 2 S CA 0.000 58.127 58.200 -0.121 0.000 1.107 2 S CB 0.000 63.217 63.200 0.028 0.000 0.593 3 L N 2.533 123.715 121.223 -0.069 0.000 2.292 3 L HA 0.767 5.106 4.340 -0.000 0.000 0.284 3 L C -1.044 175.747 176.870 -0.132 0.000 1.065 3 L CA -0.124 54.669 54.840 -0.080 0.000 0.806 3 L CB 1.071 43.253 42.059 0.205 0.000 1.175 3 L HN 0.492 nan 8.230 nan 0.000 0.431 4 V N 6.103 125.921 119.914 -0.160 0.000 2.417 4 V HA 0.503 4.623 4.120 -0.000 0.000 0.291 4 V C -0.374 175.524 176.094 -0.326 0.000 1.024 4 V CA -0.614 61.544 62.300 -0.237 0.000 0.861 4 V CB 1.811 33.497 31.823 -0.229 0.000 0.985 4 V HN 0.561 nan 8.190 nan 0.000 0.436 5 V N 5.656 125.275 119.914 -0.492 0.000 2.459 5 V HA 0.534 4.654 4.120 -0.000 0.000 0.295 5 V C -0.783 175.056 176.094 -0.424 0.000 1.029 5 V CA -0.524 61.541 62.300 -0.390 0.000 0.874 5 V CB 1.622 33.160 31.823 -0.475 0.000 0.985 5 V HN 0.678 nan 8.190 nan 0.000 0.438 6 F N 6.285 126.280 119.950 0.075 0.000 2.375 6 F HA 0.517 5.044 4.527 -0.000 0.000 0.361 6 F C -2.182 173.750 175.800 0.220 0.000 1.117 6 F CA -2.601 55.475 58.000 0.128 0.000 1.037 6 F CB 1.871 40.888 39.000 0.029 0.000 1.192 6 F HN 0.288 nan 8.300 nan 0.000 0.452 7 P HA 0.318 nan 4.420 nan 0.000 0.285 7 P C -1.113 176.382 177.300 0.325 0.000 1.259 7 P CA -0.254 63.020 63.100 0.291 0.000 0.794 7 P CB 1.047 32.863 31.700 0.193 0.000 0.940 8 F N 0.998 121.003 119.950 0.093 0.000 2.599 8 F HA 0.708 5.235 4.527 -0.000 0.000 0.311 8 F C 0.347 176.169 175.800 0.037 0.000 1.076 8 F CA -1.099 56.937 58.000 0.059 0.000 0.937 8 F CB 1.893 40.922 39.000 0.048 0.000 1.282 8 F HN 0.207 nan 8.300 nan 0.000 0.460 9 K N -0.381 120.055 120.400 0.060 0.000 2.847 9 K HA 0.263 4.583 4.320 -0.000 0.000 0.251 9 K C 0.062 176.663 176.600 0.001 0.000 1.299 9 K CA -0.252 55.933 56.287 -0.170 0.000 0.926 9 K CB 0.229 32.436 32.500 -0.488 0.000 1.824 9 K HN 0.766 nan 8.250 nan 0.000 0.388 10 H N 1.847 120.948 119.070 0.053 0.000 2.539 10 H HA 0.280 4.836 4.556 -0.000 0.000 0.293 10 H C -0.678 174.624 175.328 -0.045 0.000 1.156 10 H CA -0.170 55.885 56.048 0.012 0.000 1.012 10 H CB 0.117 29.848 29.762 -0.053 0.000 1.600 10 H HN 0.237 nan 8.280 nan 0.000 0.538 11 E N 0.619 120.898 120.200 0.131 0.000 2.349 11 E HA 0.118 4.468 4.350 -0.000 0.000 0.262 11 E C 0.283 176.853 176.600 -0.050 0.000 1.088 11 E CA -0.504 55.900 56.400 0.006 0.000 0.899 11 E CB 1.250 30.980 29.700 0.049 0.000 1.044 11 E HN 0.325 nan 8.360 nan 0.000 0.420 12 H N 1.644 120.729 119.070 0.025 0.000 2.652 12 H HA 0.071 4.627 4.556 -0.000 0.000 0.349 12 H C -1.422 173.877 175.328 -0.048 0.000 1.099 12 H CA -1.880 54.166 56.048 -0.002 0.000 1.417 12 H CB 0.598 30.355 29.762 -0.008 0.000 1.457 12 H HN 0.224 nan 8.280 nan 0.000 0.568 13 P HA -0.175 nan 4.420 nan 0.000 0.215 13 P C 1.448 178.719 177.300 -0.049 0.000 1.157 13 P CA 1.334 64.418 63.100 -0.027 0.000 0.868 13 P CB 0.329 32.023 31.700 -0.010 0.000 0.788 14 E N 0.288 120.476 120.200 -0.020 0.000 2.086 14 E HA -0.163 4.187 4.350 -0.000 0.000 0.200 14 E C 1.954 178.536 176.600 -0.029 0.000 1.012 14 E CA 1.620 58.001 56.400 -0.033 0.000 0.812 14 E CB -1.762 27.912 29.700 -0.043 0.000 0.743 14 E HN 0.093 nan 8.360 nan 0.000 0.453 15 V N 1.625 121.530 119.914 -0.016 0.000 2.287 15 V HA -0.254 3.865 4.120 -0.000 0.000 0.248 15 V C 2.573 178.612 176.094 -0.091 0.000 1.053 15 V CA 1.931 64.220 62.300 -0.018 0.000 1.027 15 V CB -0.738 31.095 31.823 0.017 0.000 0.646 15 V HN 0.194 nan 8.190 nan 0.000 0.447 16 L N -0.491 120.632 121.223 -0.165 0.000 2.049 16 L HA 0.007 4.347 4.340 -0.000 0.000 0.203 16 L C 2.214 178.862 176.870 -0.371 0.000 1.074 16 L CA 1.607 56.245 54.840 -0.337 0.000 0.749 16 L CB -0.566 41.267 42.059 -0.376 0.000 0.907 16 L HN 0.155 nan 8.230 nan 0.000 0.439 17 L N -0.392 120.686 121.223 -0.242 0.000 2.051 17 L HA -0.314 4.026 4.340 -0.000 0.000 0.214 17 L C 2.692 179.479 176.870 -0.138 0.000 1.076 17 L CA 1.749 56.478 54.840 -0.184 0.000 0.758 17 L CB -0.916 41.077 42.059 -0.110 0.000 0.890 17 L HN 0.531 nan 8.230 nan 0.000 0.433 18 H N 0.593 119.559 119.070 -0.173 0.000 2.289 18 H HA -0.190 4.365 4.556 -0.000 0.000 0.296 18 H C 2.127 177.364 175.328 -0.151 0.000 1.091 18 H CA 2.263 58.231 56.048 -0.133 0.000 1.274 18 H CB -0.083 29.616 29.762 -0.105 0.000 1.364 18 H HN 0.254 nan 8.280 nan 0.000 0.490 19 N N 0.010 118.449 118.700 -0.435 0.000 2.166 19 N HA -0.129 4.610 4.740 -0.000 0.000 0.186 19 N C 2.188 177.425 175.510 -0.455 0.000 1.019 19 N CA 1.393 54.112 53.050 -0.552 0.000 0.856 19 N CB -0.476 37.465 38.487 -0.910 0.000 0.993 19 N HN 0.274 nan 8.380 nan 0.000 0.426 20 V N 1.190 120.794 119.914 -0.517 0.000 2.343 20 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 20 V C 2.463 178.506 176.094 -0.085 0.000 1.051 20 V CA 1.434 63.596 62.300 -0.230 0.000 1.036 20 V CB -0.433 31.257 31.823 -0.221 0.000 0.654 20 V HN 0.167 nan 8.190 nan 0.000 0.451 21 R N -0.207 120.215 120.500 -0.131 0.000 2.081 21 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 21 R C 2.180 178.437 176.300 -0.072 0.000 1.131 21 R CA 1.474 57.526 56.100 -0.080 0.000 0.960 21 R CB -0.634 29.625 30.300 -0.068 0.000 0.856 21 R HN 0.407 nan 8.270 nan 0.000 0.436 22 V N 0.357 120.191 119.914 -0.133 0.000 2.287 22 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 22 V C 2.284 178.390 176.094 0.021 0.000 1.053 22 V CA 2.061 64.303 62.300 -0.096 0.000 1.027 22 V CB -0.807 30.907 31.823 -0.180 0.000 0.646 22 V HN 0.505 nan 8.190 nan 0.000 0.447 23 A N -0.203 122.699 122.820 0.137 0.000 1.930 23 A HA -0.044 4.276 4.320 -0.000 0.000 0.217 23 A C 2.389 180.014 177.584 0.067 0.000 1.175 23 A CA 1.928 54.048 52.037 0.138 0.000 0.627 23 A CB -0.695 18.454 19.000 0.248 0.000 0.815 23 A HN 0.570 nan 8.150 nan 0.000 0.443 24 A N -0.162 122.690 122.820 0.053 0.000 1.930 24 A HA 0.228 4.548 4.320 -0.000 0.000 0.217 24 A C 2.419 180.020 177.584 0.029 0.000 1.175 24 A CA 1.754 53.810 52.037 0.032 0.000 0.627 24 A CB -0.868 18.146 19.000 0.023 0.000 0.815 24 A HN 1.037 nan 8.150 nan 0.000 0.443 25 A N -1.313 121.520 122.820 0.022 0.000 2.067 25 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 25 A C 1.315 178.909 177.584 0.016 0.000 1.158 25 A CA 0.614 52.656 52.037 0.009 0.000 0.661 25 A CB -0.680 18.314 19.000 -0.010 0.000 0.801 25 A HN 0.640 nan 8.150 nan 0.000 0.452 26 H N 0.342 119.377 119.070 -0.057 0.000 2.886 26 H HA 0.132 4.688 4.556 -0.000 0.000 0.329 26 H C -1.738 173.551 175.328 -0.065 0.000 1.044 26 H CA -1.424 54.583 56.048 -0.068 0.000 1.456 26 H CB 1.185 30.890 29.762 -0.094 0.000 1.464 26 H HN 0.043 nan 8.280 nan 0.000 0.573 27 P HA -0.065 nan 4.420 nan 0.000 0.221 27 P C 1.012 178.338 177.300 0.043 0.000 1.145 27 P CA 1.239 64.306 63.100 -0.055 0.000 0.795 27 P CB 0.209 31.830 31.700 -0.131 0.000 0.775 28 R N -1.316 119.325 120.500 0.236 0.000 2.312 28 R HA 0.163 4.502 4.340 -0.000 0.000 0.205 28 R C -0.028 176.070 176.300 -0.337 0.000 0.904 28 R CA -0.025 56.068 56.100 -0.011 0.000 1.052 28 R CB 0.386 30.759 30.300 0.121 0.000 1.014 28 R HN 0.032 nan 8.270 nan 0.000 0.503 29 V N 0.980 120.765 119.914 -0.215 0.000 2.432 29 V HA 0.070 4.190 4.120 -0.000 0.000 0.275 29 V C 0.476 176.368 176.094 -0.337 0.000 1.043 29 V CA -0.074 62.040 62.300 -0.310 0.000 0.925 29 V CB 1.285 33.005 31.823 -0.171 0.000 0.985 29 V HN 0.328 nan 8.190 nan 0.000 0.466 30 H N 2.713 121.516 119.070 -0.446 0.000 2.648 30 H HA 0.369 4.925 4.556 -0.000 0.000 0.265 30 H C 0.582 175.527 175.328 -0.638 0.000 0.961 30 H CA 0.129 55.762 56.048 -0.692 0.000 1.185 30 H CB 1.008 29.978 29.762 -1.319 0.000 1.449 30 H HN 0.707 nan 8.280 nan 0.000 0.523 31 E N 0.878 120.859 120.200 -0.365 0.000 2.388 31 E HA 0.275 4.625 4.350 -0.000 0.000 0.282 31 E C -1.765 174.816 176.600 -0.032 0.000 1.026 31 E CA -0.766 55.600 56.400 -0.055 0.000 0.820 31 E CB 2.128 31.968 29.700 0.233 0.000 1.226 31 E HN 0.005 nan 8.360 nan 0.000 0.432 32 V N 3.451 123.387 119.914 0.037 0.000 2.555 32 V HA 0.793 4.913 4.120 -0.000 0.000 0.302 32 V C -1.647 174.473 176.094 0.042 0.000 1.038 32 V CA -0.657 61.666 62.300 0.039 0.000 0.887 32 V CB 1.430 33.311 31.823 0.095 0.000 0.991 32 V HN 0.611 nan 8.190 nan 0.000 0.434 33 L N 7.337 128.560 121.223 0.001 0.000 2.349 33 L HA 0.765 5.105 4.340 -0.000 0.000 0.278 33 L C -0.450 176.436 176.870 0.027 0.000 0.996 33 L CA 0.002 54.800 54.840 -0.071 0.000 0.825 33 L CB 1.031 42.947 42.059 -0.238 0.000 1.243 33 L HN 0.897 nan 8.230 nan 0.000 0.412 34 C N 6.017 125.354 119.300 0.060 0.000 2.307 34 C HA 0.555 5.015 4.460 -0.000 0.000 0.340 34 C C 0.168 175.294 174.990 0.226 0.000 1.275 34 C CA -0.904 58.243 59.018 0.216 0.000 1.811 34 C CB 0.131 27.947 27.740 0.127 0.000 2.372 34 C HN 0.568 nan 8.230 nan 0.000 0.531 35 I N 3.537 124.254 120.570 0.245 0.000 2.328 35 I HA 0.344 4.514 4.170 -0.000 0.000 0.287 35 I C 0.847 176.762 176.117 -0.337 0.000 1.012 35 I CA 0.616 61.934 61.300 0.031 0.000 1.195 35 I CB 0.913 38.944 38.000 0.053 0.000 1.350 35 I HN 0.893 nan 8.210 nan 0.000 0.464 36 G N 4.672 113.130 108.800 -0.571 0.000 2.400 36 G HA2 0.171 4.131 3.960 -0.000 0.000 0.301 36 G HA3 0.171 4.131 3.960 -0.000 0.000 0.301 36 G C 0.200 174.831 174.900 -0.448 0.000 1.154 36 G CA -0.248 44.136 45.100 -1.194 0.000 0.852 36 G HN 0.641 nan 8.290 nan 0.000 0.511 37 Y N 1.031 121.012 120.300 -0.532 0.000 2.109 37 Y HA 0.020 4.570 4.550 -0.000 0.000 0.285 37 Y C 1.342 177.140 175.900 -0.171 0.000 1.131 37 Y CA 1.953 59.877 58.100 -0.292 0.000 1.121 37 Y CB 0.253 38.529 38.460 -0.306 0.000 0.987 37 Y HN 0.617 nan 8.280 nan 0.000 0.495 38 E N 0.259 120.445 120.200 -0.023 0.000 2.392 38 E HA 0.245 4.595 4.350 -0.000 0.000 0.269 38 E C -1.092 175.527 176.600 0.033 0.000 0.924 38 E CA -1.209 55.153 56.400 -0.065 0.000 0.784 38 E CB 1.260 30.981 29.700 0.034 0.000 1.292 38 E HN 0.192 nan 8.360 nan 0.000 0.447 39 R N 1.715 122.128 120.500 -0.144 0.000 2.399 39 R HA 0.054 4.393 4.340 -0.000 0.000 0.324 39 R C -0.949 175.351 176.300 -0.001 0.000 1.030 39 R CA 0.555 56.492 56.100 -0.272 0.000 0.984 39 R CB 0.022 30.046 30.300 -0.462 0.000 0.961 39 R HN 0.637 nan 8.270 nan 0.000 0.433 40 D N 2.889 123.385 120.400 0.160 0.000 2.867 40 D HA 0.100 4.740 4.640 -0.000 0.000 0.308 40 D C 0.783 177.199 176.300 0.193 0.000 1.202 40 D CA -0.066 54.042 54.000 0.179 0.000 1.035 40 D CB 0.001 40.947 40.800 0.245 0.000 1.427 40 D HN 0.340 nan 8.370 nan 0.000 0.570 41 Q N -0.263 119.631 119.800 0.156 0.000 2.061 41 Q HA -0.119 4.221 4.340 -0.000 0.000 0.204 41 Q C 2.018 178.098 176.000 0.135 0.000 0.984 41 Q CA 3.227 59.105 55.803 0.124 0.000 0.846 41 Q CB -1.981 26.814 28.738 0.096 0.000 0.902 41 Q HN 0.681 nan 8.270 nan 0.000 0.421 42 T N -0.391 114.254 114.554 0.152 0.000 2.684 42 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 42 T C 1.732 176.468 174.700 0.061 0.000 1.036 42 T CA 1.374 63.511 62.100 0.062 0.000 1.148 42 T CB -0.558 68.326 68.868 0.026 0.000 0.863 42 T HN 0.629 nan 8.240 nan 0.000 0.436 43 Y N 1.912 122.301 120.300 0.149 0.000 2.128 43 Y HA -0.165 4.385 4.550 -0.000 0.000 0.284 43 Y C 2.383 178.337 175.900 0.090 0.000 1.154 43 Y CA 1.485 59.712 58.100 0.213 0.000 1.149 43 Y CB -0.469 38.189 38.460 0.330 0.000 0.976 43 Y HN 0.278 nan 8.280 nan 0.000 0.505 44 E N -0.339 120.083 120.200 0.369 0.000 2.077 44 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 44 E C 2.384 179.053 176.600 0.114 0.000 0.989 44 E CA 1.175 57.710 56.400 0.226 0.000 0.800 44 E CB -0.404 29.382 29.700 0.144 0.000 0.746 44 E HN 0.544 nan 8.360 nan 0.000 0.452 45 A N 0.603 123.464 122.820 0.069 0.000 1.873 45 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 45 A C 2.491 180.061 177.584 -0.023 0.000 1.193 45 A CA 1.776 53.820 52.037 0.012 0.000 0.629 45 A CB -0.979 18.015 19.000 -0.010 0.000 0.826 45 A HN 0.157 nan 8.150 nan 0.000 0.447 46 V N -0.185 119.685 119.914 -0.074 0.000 2.287 46 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 46 V C 2.501 178.560 176.094 -0.058 0.000 1.053 46 V CA 2.415 64.643 62.300 -0.120 0.000 1.027 46 V CB -0.846 30.829 31.823 -0.247 0.000 0.646 46 V HN 0.714 nan 8.190 nan 0.000 0.447 47 E N 0.123 120.317 120.200 -0.009 0.000 2.130 47 E HA -0.288 4.062 4.350 -0.000 0.000 0.196 47 E C 2.403 179.026 176.600 0.038 0.000 0.998 47 E CA 1.777 58.200 56.400 0.038 0.000 0.806 47 E CB -0.048 29.736 29.700 0.141 0.000 0.738 47 E HN 0.722 nan 8.360 nan 0.000 0.459 48 R N -0.477 120.044 120.500 0.034 0.000 2.173 48 R HA 0.154 4.494 4.340 -0.000 0.000 0.208 48 R C 2.085 178.392 176.300 0.013 0.000 1.035 48 R CA 0.915 57.032 56.100 0.028 0.000 1.004 48 R CB -0.116 30.203 30.300 0.031 0.000 0.917 48 R HN 0.020 nan 8.270 nan 0.000 0.462 49 A N 1.433 124.252 122.820 -0.002 0.000 2.066 49 A HA 0.179 4.499 4.320 -0.000 0.000 0.218 49 A C 2.385 179.964 177.584 -0.009 0.000 1.157 49 A CA 0.970 53.000 52.037 -0.011 0.000 0.670 49 A CB -0.430 18.553 19.000 -0.028 0.000 0.804 49 A HN 0.516 nan 8.150 nan 0.000 0.453 50 A N 1.259 124.075 122.820 -0.007 0.000 1.849 50 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 50 A C 0.389 177.983 177.584 0.017 0.000 1.202 50 A CA 2.029 54.067 52.037 0.001 0.000 0.629 50 A CB -1.656 17.347 19.000 0.006 0.000 0.834 50 A HN 0.497 nan 8.150 nan 0.000 0.447 51 P HA -0.109 nan 4.420 nan 0.000 0.225 51 P C 1.058 178.373 177.300 0.025 0.000 1.156 51 P CA 1.583 64.701 63.100 0.030 0.000 0.787 51 P CB -0.084 31.636 31.700 0.033 0.000 0.802 52 E N 0.486 120.696 120.200 0.018 0.000 2.112 52 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 52 E C 2.022 178.629 176.600 0.012 0.000 0.979 52 E CA 0.870 57.278 56.400 0.014 0.000 0.814 52 E CB -1.397 28.309 29.700 0.010 0.000 0.762 52 E HN 0.147 nan 8.360 nan 0.000 0.460 53 I N 1.155 121.730 120.570 0.008 0.000 2.315 53 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 53 I C 2.126 178.253 176.117 0.017 0.000 1.117 53 I CA 1.211 62.516 61.300 0.007 0.000 1.404 53 I CB -0.237 37.761 38.000 -0.003 0.000 1.071 53 I HN 0.129 nan 8.210 nan 0.000 0.419 54 S N 1.107 116.822 115.700 0.025 0.000 2.383 54 S HA -0.234 4.236 4.470 -0.000 0.000 0.229 54 S C 1.930 176.552 174.600 0.036 0.000 1.030 54 S CA 1.792 60.014 58.200 0.037 0.000 1.002 54 S CB -0.402 62.827 63.200 0.048 0.000 0.829 54 S HN 0.521 nan 8.310 nan 0.000 0.467 55 R N 1.948 122.465 120.500 0.029 0.000 2.093 55 R HA 0.327 4.667 4.340 -0.000 0.000 0.224 55 R C 2.217 178.531 176.300 0.023 0.000 1.101 55 R CA 1.006 57.122 56.100 0.027 0.000 0.979 55 R CB -0.705 29.609 30.300 0.025 0.000 0.877 55 R HN 0.282 nan 8.270 nan 0.000 0.441 56 A N 0.909 123.740 122.820 0.018 0.000 2.172 56 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 56 A C 1.947 179.540 177.584 0.015 0.000 1.154 56 A CA 1.540 53.586 52.037 0.014 0.000 0.701 56 A CB -0.475 18.531 19.000 0.010 0.000 0.789 56 A HN 0.615 nan 8.150 nan 0.000 0.465 57 T N -7.182 107.384 114.554 0.020 0.000 2.992 57 T HA 0.417 4.767 4.350 -0.000 0.000 0.255 57 T C 1.349 176.067 174.700 0.031 0.000 0.938 57 T CA 1.103 63.216 62.100 0.021 0.000 0.895 57 T CB 0.127 69.007 68.868 0.019 0.000 1.221 57 T HN 1.704 nan 8.240 nan 0.000 0.512 58 G N 1.263 110.085 108.800 0.037 0.000 2.136 58 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.242 58 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.242 58 G C 0.035 174.972 174.900 0.061 0.000 0.989 58 G CA 0.225 45.354 45.100 0.049 0.000 0.682 58 G HN 0.846 nan 8.290 nan 0.000 0.522 59 T N 2.500 117.086 114.554 0.055 0.000 2.791 59 T HA 0.564 4.914 4.350 -0.000 0.000 0.288 59 T C -2.561 172.181 174.700 0.069 0.000 0.999 59 T CA -1.099 61.035 62.100 0.057 0.000 0.952 59 T CB 2.639 71.527 68.868 0.033 0.000 0.938 59 T HN 0.080 nan 8.240 nan 0.000 0.444 60 P HA 0.195 nan 4.420 nan 0.000 0.267 60 P C -0.489 176.873 177.300 0.102 0.000 1.205 60 P CA -0.403 62.768 63.100 0.119 0.000 0.765 60 P CB 0.464 32.275 31.700 0.185 0.000 0.828 61 V N 1.611 121.570 119.914 0.076 0.000 2.448 61 V HA 0.712 4.832 4.120 -0.000 0.000 0.295 61 V C -0.746 175.374 176.094 0.043 0.000 1.025 61 V CA -0.374 61.959 62.300 0.054 0.000 0.859 61 V CB 1.851 33.690 31.823 0.027 0.000 0.988 61 V HN 0.459 nan 8.190 nan 0.000 0.431 62 S N 4.509 120.222 115.700 0.022 0.000 2.513 62 S HA 0.832 5.302 4.470 -0.000 0.000 0.299 62 S C -0.465 174.089 174.600 -0.077 0.000 1.087 62 S CA -0.692 57.503 58.200 -0.009 0.000 1.012 62 S CB 1.800 64.998 63.200 -0.004 0.000 1.044 62 S HN 0.930 nan 8.310 nan 0.000 0.485 63 V N 2.672 122.531 119.914 -0.092 0.000 2.732 63 V HA 0.737 4.857 4.120 -0.000 0.000 0.310 63 V C -0.146 175.888 176.094 -0.101 0.000 1.053 63 V CA -0.857 61.327 62.300 -0.194 0.000 0.957 63 V CB 1.289 32.840 31.823 -0.453 0.000 1.018 63 V HN 0.760 nan 8.190 nan 0.000 0.452 64 R N 2.060 122.520 120.500 -0.067 0.000 2.629 64 R HA 0.449 4.789 4.340 -0.000 0.000 0.266 64 R C -1.751 174.666 176.300 0.195 0.000 1.051 64 R CA -0.906 55.259 56.100 0.108 0.000 0.895 64 R CB 1.752 32.071 30.300 0.031 0.000 1.246 64 R HN 0.414 nan 8.270 nan 0.000 0.459 65 L N 2.969 124.354 121.223 0.271 0.000 2.416 65 L HA 0.115 4.455 4.340 -0.000 0.000 0.272 65 L C 1.078 177.971 176.870 0.037 0.000 1.161 65 L CA 0.294 55.214 54.840 0.133 0.000 0.845 65 L CB 0.406 42.491 42.059 0.043 0.000 1.119 65 L HN 0.557 nan 8.230 nan 0.000 0.464 66 Q N 2.261 122.042 119.800 -0.032 0.000 2.361 66 Q HA 0.191 4.531 4.340 -0.000 0.000 0.276 66 Q C -0.751 175.222 176.000 -0.044 0.000 1.022 66 Q CA 0.086 55.868 55.803 -0.036 0.000 0.898 66 Q CB 0.899 29.591 28.738 -0.076 0.000 1.246 66 Q HN 0.539 nan 8.270 nan 0.000 0.410 67 E N 1.342 121.540 120.200 -0.004 0.000 2.249 67 E HA 0.308 4.658 4.350 -0.000 0.000 0.263 67 E C -0.994 175.600 176.600 -0.009 0.000 0.950 67 E CA -1.282 55.114 56.400 -0.007 0.000 0.827 67 E CB 1.337 31.055 29.700 0.029 0.000 1.220 67 E HN 0.447 nan 8.360 nan 0.000 0.411 68 R N 1.719 122.207 120.500 -0.019 0.000 2.441 68 R HA 0.048 4.388 4.340 -0.000 0.000 0.300 68 R C -0.087 176.215 176.300 0.002 0.000 1.284 68 R CA 0.256 56.344 56.100 -0.020 0.000 1.069 68 R CB -0.428 29.854 30.300 -0.029 0.000 1.087 68 R HN 0.379 nan 8.270 nan 0.000 0.519 69 L N 1.977 123.209 121.223 0.015 0.000 2.513 69 L HA 0.402 4.742 4.340 -0.000 0.000 0.222 69 L C 1.218 178.089 176.870 0.001 0.000 1.096 69 L CA 0.854 55.710 54.840 0.028 0.000 0.857 69 L CB 0.172 42.277 42.059 0.077 0.000 1.026 69 L HN 0.681 nan 8.230 nan 0.000 0.469 70 G N -1.734 107.062 108.800 -0.008 0.000 3.107 70 G HA2 0.480 4.440 3.960 -0.000 0.000 0.232 70 G HA3 0.480 4.440 3.960 -0.000 0.000 0.232 70 G C 0.385 175.272 174.900 -0.021 0.000 1.339 70 G CA 0.576 45.666 45.100 -0.018 0.000 1.033 70 G HN 0.057 nan 8.290 nan 0.000 0.567 71 T N -2.679 111.861 114.554 -0.023 0.000 3.080 71 T HA 0.344 4.694 4.350 -0.000 0.000 0.280 71 T C 0.508 175.197 174.700 -0.020 0.000 0.926 71 T CA -0.126 61.961 62.100 -0.021 0.000 0.883 71 T CB 0.048 68.904 68.868 -0.020 0.000 1.194 71 T HN 0.162 nan 8.240 nan 0.000 0.541 72 L N 1.566 122.776 121.223 -0.022 0.000 2.985 72 L HA 0.557 4.897 4.340 -0.000 0.000 0.201 72 L C 1.061 177.919 176.870 -0.021 0.000 1.291 72 L CA -1.129 53.700 54.840 -0.018 0.000 1.141 72 L CB -0.081 41.968 42.059 -0.016 0.000 2.131 72 L HN 0.216 nan 8.230 nan 0.000 0.538 73 R N 1.786 122.276 120.500 -0.018 0.000 2.583 73 R HA 0.017 4.357 4.340 -0.000 0.000 0.274 73 R C -2.221 174.053 176.300 -0.043 0.000 0.998 73 R CA -0.900 55.186 56.100 -0.024 0.000 1.081 73 R CB 0.074 30.359 30.300 -0.025 0.000 0.940 73 R HN 0.277 nan 8.270 nan 0.000 0.413 74 P HA 0.163 nan 4.420 nan 0.000 0.280 74 P C -0.754 176.538 177.300 -0.013 0.000 1.300 74 P CA -0.021 63.060 63.100 -0.031 0.000 0.785 74 P CB 1.537 33.217 31.700 -0.034 0.000 0.874 75 G N 3.014 111.756 108.800 -0.098 0.000 3.137 75 G HA2 0.150 4.110 3.960 -0.000 0.000 0.196 75 G HA3 0.150 4.110 3.960 -0.000 0.000 0.196 75 G C 0.629 175.376 174.900 -0.255 0.000 1.135 75 G CA -0.294 44.670 45.100 -0.226 0.000 0.803 75 G HN 0.284 nan 8.290 nan 0.000 0.619 76 K N -0.149 119.973 120.400 -0.464 0.000 2.057 76 K HA -0.047 4.273 4.320 -0.000 0.000 0.207 76 K C 2.386 178.864 176.600 -0.204 0.000 1.049 76 K CA 1.769 57.847 56.287 -0.348 0.000 0.931 76 K CB -0.849 31.383 32.500 -0.447 0.000 0.714 76 K HN 0.415 nan 8.250 nan 0.000 0.440 77 G N 1.563 110.245 108.800 -0.197 0.000 2.529 77 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.219 77 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.219 77 G C 1.148 176.004 174.900 -0.072 0.000 1.177 77 G CA 1.326 46.335 45.100 -0.151 0.000 0.773 77 G HN 0.350 nan 8.290 nan 0.000 0.573 78 D N 0.555 120.918 120.400 -0.062 0.000 2.123 78 D HA -0.082 4.558 4.640 -0.000 0.000 0.196 78 D C 2.665 178.970 176.300 0.009 0.000 0.992 78 D CA 1.300 55.290 54.000 -0.017 0.000 0.833 78 D CB -0.816 39.960 40.800 -0.040 0.000 0.954 78 D HN 0.309 nan 8.370 nan 0.000 0.455 79 G N 0.750 109.536 108.800 -0.024 0.000 2.491 79 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 79 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 79 G C 1.665 176.615 174.900 0.083 0.000 1.180 79 G CA 0.887 45.990 45.100 0.004 0.000 0.774 79 G HN 0.237 nan 8.290 nan 0.000 0.562 80 M N 0.350 119.979 119.600 0.048 0.000 2.254 80 M HA 0.020 4.500 4.480 -0.000 0.000 0.265 80 M C 2.268 178.736 176.300 0.280 0.000 1.066 80 M CA 0.796 56.163 55.300 0.112 0.000 1.123 80 M CB -0.281 32.215 32.600 -0.173 0.000 1.388 80 M HN 0.112 nan 8.290 nan 0.000 0.425 81 N N 0.133 118.971 118.700 0.231 0.000 2.171 81 N HA -0.064 4.676 4.740 -0.000 0.000 0.184 81 N C 1.675 177.371 175.510 0.310 0.000 1.021 81 N CA 1.518 54.762 53.050 0.323 0.000 0.854 81 N CB -0.604 38.040 38.487 0.262 0.000 0.994 81 N HN 0.265 nan 8.380 nan 0.000 0.426 82 T N 1.244 115.931 114.554 0.221 0.000 2.699 82 T HA -0.124 4.225 4.350 -0.000 0.000 0.268 82 T C 1.956 176.784 174.700 0.214 0.000 1.036 82 T CA 1.486 63.702 62.100 0.193 0.000 1.147 82 T CB -0.330 68.613 68.868 0.125 0.000 0.862 82 T HN 0.336 nan 8.240 nan 0.000 0.446 83 A N 1.210 124.176 122.820 0.245 0.000 1.902 83 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 83 A C 2.206 179.972 177.584 0.304 0.000 1.181 83 A CA 1.122 53.322 52.037 0.271 0.000 0.623 83 A CB -0.826 18.380 19.000 0.343 0.000 0.818 83 A HN 0.333 nan 8.150 nan 0.000 0.443 84 L N 0.079 121.499 121.223 0.328 0.000 2.013 84 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 84 L C 2.631 179.497 176.870 -0.007 0.000 1.073 84 L CA 2.397 57.382 54.840 0.242 0.000 0.753 84 L CB -0.901 41.333 42.059 0.290 0.000 0.890 84 L HN 0.584 nan 8.230 nan 0.000 0.432 85 R N -1.677 118.723 120.500 -0.167 0.000 2.073 85 R HA -0.261 4.079 4.340 -0.000 0.000 0.234 85 R C 2.477 178.728 176.300 -0.082 0.000 1.134 85 R CA 1.898 57.761 56.100 -0.395 0.000 0.952 85 R CB -0.776 29.440 30.300 -0.141 0.000 0.850 85 R HN 0.373 nan 8.270 nan 0.000 0.433 86 Y N 0.726 121.018 120.300 -0.014 0.000 2.128 86 Y HA -0.303 4.247 4.550 -0.000 0.000 0.284 86 Y C 2.005 177.938 175.900 0.055 0.000 1.154 86 Y CA 2.156 60.277 58.100 0.034 0.000 1.149 86 Y CB -0.648 37.864 38.460 0.087 0.000 0.976 86 Y HN 0.201 nan 8.280 nan 0.000 0.505 87 F N 0.191 120.236 119.950 0.157 0.000 2.102 87 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 87 F C 1.840 177.594 175.800 -0.077 0.000 1.105 87 F CA 1.905 59.960 58.000 0.093 0.000 1.239 87 F CB -0.679 38.381 39.000 0.099 0.000 0.991 87 F HN 0.071 nan 8.300 nan 0.000 0.474 88 L N -0.490 120.584 121.223 -0.247 0.000 2.179 88 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 88 L C 2.100 178.764 176.870 -0.342 0.000 1.096 88 L CA 1.324 55.925 54.840 -0.398 0.000 0.779 88 L CB -0.425 41.468 42.059 -0.275 0.000 0.922 88 L HN 0.183 nan 8.230 nan 0.000 0.443 89 E N -0.709 119.312 120.200 -0.298 0.000 2.340 89 E HA -0.027 4.323 4.350 -0.000 0.000 0.198 89 E C 1.024 177.445 176.600 -0.297 0.000 0.961 89 E CA 0.189 56.440 56.400 -0.248 0.000 0.905 89 E CB 0.509 30.108 29.700 -0.167 0.000 0.884 89 E HN 0.386 nan 8.360 nan 0.000 0.491 90 E N 0.534 120.474 120.200 -0.433 0.000 2.548 90 E HA 0.055 4.405 4.350 -0.000 0.000 0.206 90 E C -0.032 176.238 176.600 -0.551 0.000 1.005 90 E CA 0.098 56.188 56.400 -0.518 0.000 0.951 90 E CB 1.161 30.405 29.700 -0.759 0.000 1.035 90 E HN 0.068 nan 8.360 nan 0.000 0.470 91 T N -2.743 111.491 114.554 -0.534 0.000 2.769 91 T HA 0.260 4.610 4.350 -0.000 0.000 0.306 91 T C -0.361 173.949 174.700 -0.650 0.000 1.400 91 T CA -0.705 61.004 62.100 -0.652 0.000 1.007 91 T CB 1.922 70.376 68.868 -0.689 0.000 1.392 91 T HN -0.186 nan 8.240 nan 0.000 0.500 92 Q N -0.241 119.077 119.800 -0.803 0.000 2.139 92 Q HA 0.393 4.733 4.340 -0.000 0.000 0.219 92 Q C -0.995 174.818 176.000 -0.311 0.000 0.805 92 Q CA -0.536 54.957 55.803 -0.516 0.000 1.024 92 Q CB 0.181 28.670 28.738 -0.416 0.000 1.163 92 Q HN 0.712 nan 8.270 nan 0.000 0.485 93 W N 0.917 122.188 121.300 -0.048 0.000 2.193 93 W HA 0.077 4.737 4.660 -0.000 0.000 0.338 93 W C 1.077 177.687 176.519 0.152 0.000 1.310 93 W CA -0.273 57.153 57.345 0.134 0.000 1.243 93 W CB 0.738 30.387 29.460 0.314 0.000 1.165 93 W HN 0.193 nan 8.180 nan 0.000 0.566 94 E N 1.228 121.707 120.200 0.465 0.000 2.371 94 E HA 0.050 4.400 4.350 -0.000 0.000 0.194 94 E C 0.293 177.114 176.600 0.368 0.000 1.012 94 E CA 0.614 57.202 56.400 0.313 0.000 0.860 94 E CB 0.232 30.068 29.700 0.226 0.000 0.811 94 E HN 0.386 nan 8.360 nan 0.000 0.502 95 R N 0.428 121.182 120.500 0.423 0.000 2.668 95 R HA 0.531 4.871 4.340 -0.000 0.000 0.272 95 R C -1.336 174.929 176.300 -0.059 0.000 1.019 95 R CA -0.537 55.670 56.100 0.179 0.000 0.894 95 R CB 2.454 32.798 30.300 0.074 0.000 1.228 95 R HN -0.046 nan 8.270 nan 0.000 0.460 96 I N 1.942 122.237 120.570 -0.458 0.000 2.466 96 I HA 0.383 4.553 4.170 -0.000 0.000 0.289 96 I C -0.905 174.876 176.117 -0.559 0.000 1.026 96 I CA -0.651 60.204 61.300 -0.740 0.000 1.078 96 I CB 1.350 38.431 38.000 -1.532 0.000 1.249 96 I HN 0.634 nan 8.210 nan 0.000 0.429 97 H N 6.979 125.748 119.070 -0.502 0.000 2.458 97 H HA 0.403 4.959 4.556 -0.000 0.000 0.330 97 H C -1.393 173.524 175.328 -0.686 0.000 1.111 97 H CA -0.135 55.648 56.048 -0.442 0.000 1.245 97 H CB 1.781 31.394 29.762 -0.248 0.000 1.456 97 H HN 0.379 nan 8.280 nan 0.000 0.488 98 F N 2.136 121.858 119.950 -0.380 0.000 2.508 98 F HA 0.338 4.865 4.527 -0.000 0.000 0.325 98 F C -0.712 174.706 175.800 -0.636 0.000 1.090 98 F CA -0.561 57.221 58.000 -0.363 0.000 0.945 98 F CB 1.305 40.219 39.000 -0.143 0.000 1.156 98 F HN 0.397 nan 8.300 nan 0.000 0.463 99 Y N 0.634 120.951 120.300 0.028 0.000 2.433 99 Y HA 0.277 4.827 4.550 -0.000 0.000 0.337 99 Y C -0.510 175.473 175.900 0.139 0.000 1.026 99 Y CA -1.605 56.512 58.100 0.028 0.000 1.037 99 Y CB 1.192 39.516 38.460 -0.228 0.000 1.245 99 Y HN 0.453 nan 8.280 nan 0.000 0.443 100 D N 1.242 121.835 120.400 0.321 0.000 2.506 100 D HA 0.133 4.773 4.640 -0.000 0.000 0.234 100 D C 0.870 177.334 176.300 0.273 0.000 1.143 100 D CA 0.573 54.738 54.000 0.274 0.000 0.871 100 D CB 1.275 42.207 40.800 0.220 0.000 1.190 100 D HN 0.765 nan 8.370 nan 0.000 0.459 101 A N 2.401 125.370 122.820 0.248 0.000 2.067 101 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 101 A C 1.203 178.789 177.584 0.003 0.000 1.156 101 A CA 0.904 53.022 52.037 0.135 0.000 0.683 101 A CB -0.023 19.084 19.000 0.178 0.000 0.808 101 A HN 0.586 nan 8.150 nan 0.000 0.455 102 D N -0.630 119.811 120.400 0.069 0.000 2.363 102 D HA 0.136 4.776 4.640 -0.000 0.000 0.214 102 D C 0.311 176.646 176.300 0.058 0.000 1.093 102 D CA -0.308 53.726 54.000 0.058 0.000 0.837 102 D CB -0.454 40.404 40.800 0.097 0.000 0.948 102 D HN 0.414 nan 8.370 nan 0.000 0.507 103 I N 1.756 122.336 120.570 0.016 0.000 2.618 103 I HA -0.037 4.133 4.170 -0.000 0.000 0.284 103 I C 1.299 177.409 176.117 -0.011 0.000 1.146 103 I CA 0.448 61.744 61.300 -0.007 0.000 1.425 103 I CB 1.080 39.013 38.000 -0.112 0.000 1.383 103 I HN -0.013 nan 8.210 nan 0.000 0.562 104 T N -1.317 113.260 114.554 0.039 0.000 3.044 104 T HA 0.049 4.398 4.350 -0.000 0.000 0.260 104 T C 0.895 175.636 174.700 0.069 0.000 1.019 104 T CA 0.180 62.312 62.100 0.054 0.000 0.921 104 T CB 0.067 68.962 68.868 0.045 0.000 1.053 104 T HN 0.630 nan 8.240 nan 0.000 0.533 105 S N 0.302 116.043 115.700 0.069 0.000 2.602 105 S HA 0.407 4.877 4.470 -0.000 0.000 0.240 105 S C -0.111 174.482 174.600 -0.012 0.000 0.992 105 S CA -0.849 57.418 58.200 0.111 0.000 0.971 105 S CB -0.679 62.660 63.200 0.232 0.000 0.855 105 S HN 0.347 nan 8.310 nan 0.000 0.481 106 F N 2.857 122.536 119.950 -0.452 0.000 2.471 106 F HA 0.596 5.123 4.527 -0.000 0.000 0.353 106 F C 0.719 176.158 175.800 -0.601 0.000 1.113 106 F CA 0.355 57.743 58.000 -1.019 0.000 1.262 106 F CB 0.444 38.952 39.000 -0.821 0.000 1.146 106 F HN 0.325 nan 8.300 nan 0.000 0.578 107 G N 4.668 112.686 108.800 -1.304 0.000 2.649 107 G HA2 0.403 4.363 3.960 -0.000 0.000 0.290 107 G HA3 0.403 4.363 3.960 -0.000 0.000 0.290 107 G C -2.795 171.730 174.900 -0.625 0.000 1.426 107 G CA -0.917 43.805 45.100 -0.629 0.000 0.794 107 G HN 0.301 nan 8.290 nan 0.000 0.483 108 P HA 0.119 nan 4.420 nan 0.000 0.233 108 P C 1.204 178.543 177.300 0.065 0.000 1.167 108 P CA 1.566 64.609 63.100 -0.096 0.000 0.770 108 P CB 0.003 31.719 31.700 0.027 0.000 0.837 109 D N -0.763 119.703 120.400 0.110 0.000 2.178 109 D HA -0.181 4.459 4.640 -0.000 0.000 0.202 109 D C 1.594 178.019 176.300 0.208 0.000 0.974 109 D CA 0.805 54.901 54.000 0.160 0.000 0.841 109 D CB -1.426 39.450 40.800 0.128 0.000 0.953 109 D HN 0.042 nan 8.370 nan 0.000 0.478 110 W N 0.759 122.000 121.300 -0.098 0.000 2.290 110 W HA -0.154 4.506 4.660 -0.000 0.000 0.328 110 W C 2.441 179.064 176.519 0.173 0.000 1.272 110 W CA 1.278 58.618 57.345 -0.008 0.000 1.262 110 W CB -1.044 28.227 29.460 -0.314 0.000 1.151 110 W HN 0.236 nan 8.180 nan 0.000 0.473 111 I N -0.712 119.976 120.570 0.196 0.000 2.113 111 I HA -0.343 3.827 4.170 -0.000 0.000 0.238 111 I C 2.347 178.542 176.117 0.131 0.000 1.070 111 I CA 2.002 63.327 61.300 0.043 0.000 1.332 111 I CB -1.339 36.318 38.000 -0.571 0.000 1.044 111 I HN -0.043 nan 8.210 nan 0.000 0.402 112 T N 1.019 115.682 114.554 0.181 0.000 2.597 112 T HA -0.267 4.083 4.350 -0.000 0.000 0.267 112 T C 1.869 176.686 174.700 0.194 0.000 1.053 112 T CA 1.679 63.933 62.100 0.256 0.000 1.165 112 T CB -0.356 68.667 68.868 0.258 0.000 0.863 112 T HN 0.307 nan 8.240 nan 0.000 0.427 113 K N 1.034 121.544 120.400 0.184 0.000 2.074 113 K HA -0.077 4.243 4.320 -0.000 0.000 0.209 113 K C 2.709 179.400 176.600 0.151 0.000 1.048 113 K CA 1.349 57.723 56.287 0.145 0.000 0.926 113 K CB -0.372 32.193 32.500 0.109 0.000 0.713 113 K HN 0.351 nan 8.250 nan 0.000 0.444 114 A N 1.851 124.801 122.820 0.216 0.000 1.855 114 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 114 A C 2.008 179.680 177.584 0.148 0.000 1.191 114 A CA 1.341 53.477 52.037 0.165 0.000 0.613 114 A CB -0.331 18.854 19.000 0.309 0.000 0.829 114 A HN 0.195 nan 8.150 nan 0.000 0.442 115 E N 0.105 120.425 120.200 0.200 0.000 2.097 115 E HA -0.247 4.103 4.350 -0.000 0.000 0.196 115 E C 1.905 178.583 176.600 0.129 0.000 1.000 115 E CA 1.638 58.134 56.400 0.159 0.000 0.804 115 E CB -0.401 29.402 29.700 0.171 0.000 0.740 115 E HN 0.776 nan 8.360 nan 0.000 0.454 116 E N 0.590 120.867 120.200 0.127 0.000 2.051 116 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 116 E C 2.076 178.739 176.600 0.105 0.000 0.991 116 E CA 1.053 57.518 56.400 0.108 0.000 0.799 116 E CB -0.129 29.625 29.700 0.090 0.000 0.748 116 E HN 0.236 nan 8.360 nan 0.000 0.449 117 A N 1.262 124.122 122.820 0.068 0.000 1.940 117 A HA -0.171 4.149 4.320 -0.000 0.000 0.219 117 A C 2.331 180.052 177.584 0.227 0.000 1.176 117 A CA 1.791 53.854 52.037 0.043 0.000 0.631 117 A CB -0.637 18.326 19.000 -0.062 0.000 0.814 117 A HN 0.317 nan 8.150 nan 0.000 0.446 118 A N 0.173 123.091 122.820 0.163 0.000 1.855 118 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 118 A C 1.761 179.418 177.584 0.120 0.000 1.191 118 A CA 1.816 53.942 52.037 0.147 0.000 0.613 118 A CB -0.710 18.343 19.000 0.087 0.000 0.829 118 A HN 0.441 nan 8.150 nan 0.000 0.442 119 D N -0.774 119.693 120.400 0.112 0.000 2.157 119 D HA -0.215 4.425 4.640 -0.000 0.000 0.191 119 D C 1.517 177.864 176.300 0.078 0.000 1.004 119 D CA 1.527 55.580 54.000 0.088 0.000 0.854 119 D CB -0.600 40.259 40.800 0.098 0.000 0.936 119 D HN 0.450 nan 8.370 nan 0.000 0.446 120 F N -0.067 119.860 119.950 -0.039 0.000 2.236 120 F HA -0.093 4.434 4.527 -0.000 0.000 0.302 120 F C 1.811 177.490 175.800 -0.202 0.000 1.073 120 F CA 1.902 59.838 58.000 -0.106 0.000 1.336 120 F CB 0.174 39.113 39.000 -0.103 0.000 1.040 120 F HN 0.147 nan 8.300 nan 0.000 0.507 121 G N -2.537 106.212 108.800 -0.085 0.000 2.318 121 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.172 121 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.172 121 G C -0.104 174.706 174.900 -0.150 0.000 1.002 121 G CA -0.257 44.726 45.100 -0.195 0.000 0.697 121 G HN 0.217 nan 8.290 nan 0.000 0.483 122 Y N 1.068 121.406 120.300 0.063 0.000 2.497 122 Y HA 0.399 4.949 4.550 -0.000 0.000 0.334 122 Y C 1.901 177.821 175.900 0.034 0.000 1.199 122 Y CA 1.221 59.359 58.100 0.063 0.000 1.425 122 Y CB 1.122 39.642 38.460 0.100 0.000 1.291 122 Y HN 0.059 nan 8.280 nan 0.000 0.562 123 G N 2.551 111.462 108.800 0.185 0.000 2.430 123 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.216 123 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.216 123 G C -0.011 174.930 174.900 0.068 0.000 1.146 123 G CA 0.239 45.395 45.100 0.092 0.000 0.793 123 G HN 0.481 nan 8.290 nan 0.000 0.537 124 L N 0.844 122.118 121.223 0.085 0.000 2.464 124 L HA 0.607 4.947 4.340 -0.000 0.000 0.266 124 L C -1.680 175.204 176.870 0.022 0.000 0.965 124 L CA -0.591 54.263 54.840 0.023 0.000 0.833 124 L CB 2.403 44.458 42.059 -0.006 0.000 1.296 124 L HN -0.145 nan 8.230 nan 0.000 0.405 125 V N 5.068 124.967 119.914 -0.026 0.000 2.444 125 V HA 0.544 4.664 4.120 -0.000 0.000 0.294 125 V C -0.229 175.784 176.094 -0.135 0.000 1.022 125 V CA -0.651 61.610 62.300 -0.065 0.000 0.850 125 V CB 1.942 33.731 31.823 -0.056 0.000 0.992 125 V HN 0.715 nan 8.190 nan 0.000 0.426 126 R N 2.772 123.181 120.500 -0.152 0.000 2.295 126 R HA 0.506 4.846 4.340 -0.000 0.000 0.324 126 R C -0.903 175.300 176.300 -0.161 0.000 0.968 126 R CA -0.833 55.208 56.100 -0.098 0.000 0.837 126 R CB 1.198 31.464 30.300 -0.057 0.000 1.133 126 R HN 0.746 nan 8.270 nan 0.000 0.450 127 H N 2.798 121.850 119.070 -0.030 0.000 2.848 127 H HA 0.067 4.623 4.556 -0.000 0.000 0.317 127 H C -0.442 174.700 175.328 -0.310 0.000 1.046 127 H CA 0.242 56.156 56.048 -0.224 0.000 1.470 127 H CB 0.210 29.863 29.762 -0.181 0.000 1.483 127 H HN 0.491 nan 8.280 nan 0.000 0.548 128 Y N 1.818 121.790 120.300 -0.547 0.000 2.549 128 Y HA 0.692 5.242 4.550 -0.000 0.000 0.339 128 Y C -1.670 173.721 175.900 -0.848 0.000 1.053 128 Y CA -2.116 55.693 58.100 -0.485 0.000 1.105 128 Y CB 0.931 39.317 38.460 -0.123 0.000 1.258 128 Y HN 0.361 nan 8.280 nan 0.000 0.478 129 F N 1.346 121.184 119.950 -0.188 0.000 2.613 129 F HA 0.671 5.198 4.527 -0.000 0.000 0.314 129 F C -2.464 173.266 175.800 -0.117 0.000 1.075 129 F CA -2.443 55.336 58.000 -0.367 0.000 0.945 129 F CB 2.020 40.916 39.000 -0.174 0.000 1.310 129 F HN 0.360 nan 8.300 nan 0.000 0.467 130 P HA 0.333 nan 4.420 nan 0.000 0.275 130 P C -1.193 176.258 177.300 0.252 0.000 1.227 130 P CA -0.298 62.959 63.100 0.260 0.000 0.781 130 P CB 1.170 32.991 31.700 0.201 0.000 0.906 131 R N 1.011 121.709 120.500 0.330 0.000 2.725 131 R HA 0.648 4.987 4.340 -0.000 0.000 0.277 131 R C -0.405 176.102 176.300 0.346 0.000 0.987 131 R CA -1.016 55.255 56.100 0.284 0.000 0.901 131 R CB 2.402 32.869 30.300 0.279 0.000 1.207 131 R HN 0.529 nan 8.270 nan 0.000 0.463 132 A N 0.807 123.791 122.820 0.273 0.000 2.445 132 A HA 0.087 4.407 4.320 -0.000 0.000 0.242 132 A C 1.237 178.986 177.584 0.275 0.000 1.075 132 A CA 0.169 52.386 52.037 0.300 0.000 0.777 132 A CB 0.364 19.482 19.000 0.196 0.000 1.013 132 A HN 0.916 nan 8.150 nan 0.000 0.493 133 S N 0.484 116.342 115.700 0.263 0.000 2.500 133 S HA -0.125 4.345 4.470 -0.000 0.000 0.239 133 S C 1.085 175.809 174.600 0.208 0.000 0.989 133 S CA 1.532 59.807 58.200 0.125 0.000 0.951 133 S CB -0.693 62.511 63.200 0.008 0.000 0.759 133 S HN 1.243 nan 8.310 nan 0.000 0.523 134 T N -2.009 112.662 114.554 0.195 0.000 3.176 134 T HA 0.335 4.685 4.350 -0.000 0.000 0.263 134 T C -0.198 174.641 174.700 0.232 0.000 1.021 134 T CA -0.646 61.599 62.100 0.242 0.000 0.905 134 T CB 0.070 69.054 68.868 0.194 0.000 1.057 134 T HN 0.108 nan 8.240 nan 0.000 0.558 135 D N 1.126 121.650 120.400 0.207 0.000 2.478 135 D HA 0.627 5.267 4.640 -0.000 0.000 0.263 135 D C 0.996 177.423 176.300 0.212 0.000 1.153 135 D CA 0.148 54.271 54.000 0.204 0.000 1.038 135 D CB 1.274 42.198 40.800 0.208 0.000 1.120 135 D HN 0.210 nan 8.370 nan 0.000 0.564 136 A N 0.114 123.059 122.820 0.210 0.000 2.826 136 A HA -0.223 4.097 4.320 -0.000 0.000 0.274 136 A C 1.468 179.218 177.584 0.277 0.000 1.443 136 A CA 0.979 53.154 52.037 0.230 0.000 0.833 136 A CB -1.627 17.558 19.000 0.307 0.000 1.023 136 A HN 0.410 nan 8.150 nan 0.000 0.600 137 M N -1.293 118.449 119.600 0.237 0.000 2.319 137 M HA 0.040 4.520 4.480 -0.000 0.000 0.265 137 M C 2.013 178.592 176.300 0.465 0.000 1.068 137 M CA 1.644 57.082 55.300 0.230 0.000 1.118 137 M CB -0.890 31.721 32.600 0.018 0.000 1.395 137 M HN 0.682 nan 8.290 nan 0.000 0.435 138 I N -0.452 120.345 120.570 0.378 0.000 2.163 138 I HA -0.259 3.911 4.170 -0.000 0.000 0.240 138 I C 2.281 178.453 176.117 0.091 0.000 1.081 138 I CA 1.236 62.621 61.300 0.142 0.000 1.353 138 I CB -0.726 37.201 38.000 -0.121 0.000 1.054 138 I HN 0.216 nan 8.210 nan 0.000 0.407 139 T N -0.083 114.487 114.554 0.027 0.000 2.624 139 T HA -0.261 4.089 4.350 -0.000 0.000 0.268 139 T C 1.416 176.028 174.700 -0.146 0.000 1.041 139 T CA 2.154 64.188 62.100 -0.111 0.000 1.159 139 T CB -0.413 68.339 68.868 -0.194 0.000 0.863 139 T HN 0.384 nan 8.240 nan 0.000 0.434 140 W N 0.229 121.520 121.300 -0.015 0.000 2.488 140 W HA 0.179 4.838 4.660 -0.000 0.000 0.304 140 W C 2.452 178.990 176.519 0.031 0.000 1.175 140 W CA 0.142 57.454 57.345 -0.055 0.000 1.365 140 W CB -0.249 29.111 29.460 -0.167 0.000 1.131 140 W HN 0.085 nan 8.180 nan 0.000 0.520 141 M N -0.547 119.250 119.600 0.329 0.000 2.419 141 M HA -0.029 4.451 4.480 -0.000 0.000 0.264 141 M C 1.491 178.158 176.300 0.611 0.000 1.082 141 M CA 1.224 56.742 55.300 0.363 0.000 1.119 141 M CB -0.897 31.760 32.600 0.095 0.000 1.398 141 M HN 0.049 nan 8.290 nan 0.000 0.453 142 I N -1.379 119.439 120.570 0.413 0.000 3.341 142 I HA -0.023 4.146 4.170 -0.000 0.000 0.243 142 I C 2.037 178.236 176.117 0.137 0.000 1.094 142 I CA 0.974 62.513 61.300 0.398 0.000 1.507 142 I CB -1.255 36.874 38.000 0.214 0.000 1.441 142 I HN 0.137 nan 8.210 nan 0.000 0.465 143 T N 1.702 116.228 114.554 -0.047 0.000 2.639 143 T HA -0.103 4.247 4.350 -0.000 0.000 0.261 143 T C 2.035 176.524 174.700 -0.352 0.000 1.053 143 T CA 1.321 63.239 62.100 -0.303 0.000 1.158 143 T CB -0.331 68.354 68.868 -0.305 0.000 0.863 143 T HN 0.193 nan 8.240 nan 0.000 0.413 144 R N 0.605 120.994 120.500 -0.184 0.000 2.096 144 R HA -0.051 4.289 4.340 -0.000 0.000 0.235 144 R C 2.804 179.108 176.300 0.008 0.000 1.127 144 R CA 1.530 57.580 56.100 -0.084 0.000 0.968 144 R CB -0.769 29.380 30.300 -0.252 0.000 0.861 144 R HN 0.324 nan 8.270 nan 0.000 0.440 145 T N -0.007 114.560 114.554 0.021 0.000 2.746 145 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 145 T C 1.862 176.386 174.700 -0.294 0.000 1.039 145 T CA 1.574 63.664 62.100 -0.016 0.000 1.142 145 T CB -0.467 68.427 68.868 0.043 0.000 0.866 145 T HN 0.549 nan 8.240 nan 0.000 0.444 146 G N 0.764 109.364 108.800 -0.334 0.000 2.421 146 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.216 146 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.216 146 G C 1.224 176.171 174.900 0.079 0.000 1.171 146 G CA 0.351 45.300 45.100 -0.251 0.000 0.775 146 G HN 0.392 nan 8.290 nan 0.000 0.543 147 F N 1.869 121.906 119.950 0.145 0.000 2.250 147 F HA 0.021 4.548 4.527 -0.000 0.000 0.301 147 F C 2.891 178.819 175.800 0.213 0.000 1.077 147 F CA 0.290 58.475 58.000 0.310 0.000 1.348 147 F CB -0.683 38.434 39.000 0.194 0.000 1.040 147 F HN 0.278 nan 8.300 nan 0.000 0.509 148 A N -0.647 122.322 122.820 0.249 0.000 1.975 148 A HA 0.053 4.373 4.320 -0.000 0.000 0.215 148 A C 2.213 179.843 177.584 0.077 0.000 1.170 148 A CA 0.600 52.732 52.037 0.159 0.000 0.656 148 A CB -0.727 18.352 19.000 0.131 0.000 0.821 148 A HN 0.339 nan 8.150 nan 0.000 0.449 149 L N -0.831 120.358 121.223 -0.058 0.000 2.240 149 L HA 0.046 4.386 4.340 -0.000 0.000 0.211 149 L C 2.059 178.861 176.870 -0.113 0.000 1.106 149 L CA 0.598 55.354 54.840 -0.140 0.000 0.793 149 L CB -0.103 41.726 42.059 -0.382 0.000 0.927 149 L HN 0.341 nan 8.230 nan 0.000 0.446 150 L N -2.469 118.656 121.223 -0.162 0.000 2.470 150 L HA 0.061 4.401 4.340 -0.000 0.000 0.219 150 L C 0.490 176.983 176.870 -0.629 0.000 1.071 150 L CA 0.095 54.618 54.840 -0.529 0.000 0.850 150 L CB 0.310 41.752 42.059 -1.028 0.000 1.040 150 L HN 0.319 nan 8.230 nan 0.000 0.475 151 W N 0.144 121.528 121.300 0.141 0.000 1.402 151 W HA 0.292 4.952 4.660 -0.000 0.000 0.300 151 W C -2.116 174.477 176.519 0.122 0.000 0.853 151 W CA -1.333 56.092 57.345 0.134 0.000 2.057 151 W CB -0.002 29.525 29.460 0.112 0.000 2.087 151 W HN -0.038 nan 8.180 nan 0.000 0.466 152 P HA -0.214 nan 4.420 nan 0.000 0.216 152 P C 1.227 178.576 177.300 0.082 0.000 1.153 152 P CA 1.996 65.158 63.100 0.102 0.000 0.858 152 P CB 0.117 31.788 31.700 -0.049 0.000 0.789 153 H N -1.226 117.968 119.070 0.207 0.000 2.556 153 H HA 0.085 4.641 4.556 -0.000 0.000 0.268 153 H C 0.884 176.311 175.328 0.165 0.000 0.996 153 H CA 0.926 57.080 56.048 0.177 0.000 1.157 153 H CB -0.528 29.310 29.762 0.127 0.000 1.355 153 H HN 0.259 nan 8.280 nan 0.000 0.597 154 T N -2.018 112.704 114.554 0.280 0.000 2.936 154 T HA 0.141 4.491 4.350 -0.000 0.000 0.282 154 T C 1.162 175.969 174.700 0.179 0.000 1.003 154 T CA -0.781 61.414 62.100 0.159 0.000 1.005 154 T CB 2.398 71.295 68.868 0.048 0.000 1.097 154 T HN -0.123 nan 8.240 nan 0.000 0.532 155 E N 0.050 120.281 120.200 0.052 0.000 2.463 155 E HA 0.056 4.406 4.350 -0.000 0.000 0.201 155 E C 1.645 178.286 176.600 0.067 0.000 1.045 155 E CA 0.553 57.002 56.400 0.082 0.000 0.872 155 E CB -0.752 28.906 29.700 -0.070 0.000 0.797 155 E HN 0.680 nan 8.360 nan 0.000 0.538 156 L N -0.182 120.983 121.223 -0.097 0.000 2.017 156 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 156 L C 2.260 179.071 176.870 -0.098 0.000 1.073 156 L CA 1.632 56.239 54.840 -0.389 0.000 0.745 156 L CB -0.448 41.127 42.059 -0.807 0.000 0.894 156 L HN 0.198 nan 8.230 nan 0.000 0.432 157 S N -2.047 113.723 115.700 0.118 0.000 2.522 157 S HA -0.127 4.343 4.470 -0.000 0.000 0.227 157 S C 1.331 175.911 174.600 -0.032 0.000 0.986 157 S CA -0.010 58.260 58.200 0.117 0.000 0.929 157 S CB -0.601 62.642 63.200 0.071 0.000 0.769 157 S HN 0.454 nan 8.310 nan 0.000 0.529 158 W N 1.683 123.015 121.300 0.054 0.000 2.937 158 W HA 0.404 5.064 4.660 -0.000 0.000 0.245 158 W C 0.348 176.919 176.519 0.087 0.000 1.306 158 W CA -0.812 56.587 57.345 0.090 0.000 1.470 158 W CB -0.165 29.378 29.460 0.138 0.000 1.132 158 W HN 0.152 nan 8.180 nan 0.000 0.675 159 I N 2.049 122.718 120.570 0.164 0.000 2.618 159 I HA -0.086 4.084 4.170 -0.000 0.000 0.284 159 I C 1.524 177.613 176.117 -0.047 0.000 1.146 159 I CA 0.236 61.553 61.300 0.028 0.000 1.425 159 I CB 0.693 38.656 38.000 -0.061 0.000 1.383 159 I HN 0.062 nan 8.210 nan 0.000 0.562 160 E N 4.326 124.452 120.200 -0.124 0.000 2.028 160 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 160 E C 0.372 176.882 176.600 -0.149 0.000 0.984 160 E CA 1.316 57.605 56.400 -0.186 0.000 0.800 160 E CB 0.183 29.636 29.700 -0.413 0.000 0.758 160 E HN 0.577 nan 8.360 nan 0.000 0.448 161 Q N 0.393 120.156 119.800 -0.062 0.000 2.965 161 Q HA 0.144 4.484 4.340 -0.000 0.000 0.288 161 Q C -1.960 174.051 176.000 0.018 0.000 0.974 161 Q CA -1.324 54.477 55.803 -0.003 0.000 0.849 161 Q CB 1.569 30.384 28.738 0.129 0.000 1.280 161 Q HN 0.028 nan 8.270 nan 0.000 0.441 162 P HA -0.153 nan 4.420 nan 0.000 0.222 162 P C 0.588 177.927 177.300 0.065 0.000 1.147 162 P CA 1.022 64.171 63.100 0.081 0.000 0.790 162 P CB 0.338 32.150 31.700 0.186 0.000 0.780 163 L N -1.319 119.917 121.223 0.021 0.000 2.611 163 L HA 0.284 4.624 4.340 -0.000 0.000 0.229 163 L C 1.365 178.268 176.870 0.056 0.000 1.137 163 L CA -0.404 54.447 54.840 0.018 0.000 0.901 163 L CB -0.593 41.448 42.059 -0.030 0.000 1.098 163 L HN -0.096 nan 8.230 nan 0.000 0.456 164 G N -0.357 108.499 108.800 0.095 0.000 2.403 164 G HA2 0.350 4.310 3.960 -0.000 0.000 0.259 164 G HA3 0.350 4.310 3.960 -0.000 0.000 0.259 164 G C 0.851 175.848 174.900 0.161 0.000 1.244 164 G CA 0.003 45.197 45.100 0.156 0.000 0.849 164 G HN 0.226 nan 8.290 nan 0.000 0.532 165 G N 0.773 109.683 108.800 0.184 0.000 3.042 165 G HA2 0.215 4.175 3.960 -0.000 0.000 0.212 165 G HA3 0.215 4.175 3.960 -0.000 0.000 0.212 165 G C 0.272 175.294 174.900 0.202 0.000 1.166 165 G CA -0.108 45.086 45.100 0.158 0.000 0.767 165 G HN 0.525 nan 8.290 nan 0.000 0.546 166 E N 0.774 121.153 120.200 0.298 0.000 2.109 166 E HA 0.632 4.982 4.350 -0.000 0.000 0.278 166 E C 0.086 176.898 176.600 0.354 0.000 0.954 166 E CA -0.326 56.261 56.400 0.310 0.000 0.779 166 E CB 1.534 31.580 29.700 0.577 0.000 1.093 166 E HN 0.375 nan 8.360 nan 0.000 0.401 167 L N -0.011 121.310 121.223 0.163 0.000 2.940 167 L HA 0.666 5.006 4.340 -0.000 0.000 0.270 167 L C -1.911 174.933 176.870 -0.044 0.000 1.030 167 L CA -1.363 53.558 54.840 0.135 0.000 0.928 167 L CB 1.137 43.260 42.059 0.106 0.000 1.506 167 L HN 0.445 nan 8.230 nan 0.000 0.405 168 L N 1.643 122.792 121.223 -0.125 0.000 2.436 168 L HA 0.753 5.093 4.340 -0.000 0.000 0.268 168 L C -1.155 175.609 176.870 -0.177 0.000 0.974 168 L CA -0.209 54.448 54.840 -0.305 0.000 0.826 168 L CB 2.096 43.857 42.059 -0.497 0.000 1.291 168 L HN 0.790 nan 8.230 nan 0.000 0.406 169 M N 3.705 123.192 119.600 -0.188 0.000 2.602 169 M HA 0.638 5.118 4.480 -0.000 0.000 0.312 169 M C -0.386 175.876 176.300 -0.063 0.000 1.181 169 M CA -0.971 54.268 55.300 -0.101 0.000 0.910 169 M CB 1.896 34.442 32.600 -0.090 0.000 1.723 169 M HN 0.390 nan 8.290 nan 0.000 0.459 170 R N 1.314 121.821 120.500 0.011 0.000 2.594 170 R HA 0.165 4.505 4.340 -0.000 0.000 0.272 170 R C 1.070 177.455 176.300 0.142 0.000 1.074 170 R CA 0.014 56.159 56.100 0.074 0.000 1.105 170 R CB 0.533 30.872 30.300 0.064 0.000 1.008 170 R HN 0.781 nan 8.270 nan 0.000 0.472 171 R N 2.345 123.001 120.500 0.259 0.000 2.191 171 R HA -0.265 4.075 4.340 -0.000 0.000 0.248 171 R C 1.772 178.179 176.300 0.179 0.000 1.127 171 R CA 2.579 58.871 56.100 0.321 0.000 0.943 171 R CB -0.132 30.275 30.300 0.178 0.000 0.891 171 R HN 0.742 nan 8.270 nan 0.000 0.439 172 E N 0.136 120.397 120.200 0.102 0.000 2.209 172 E HA -0.143 4.207 4.350 -0.000 0.000 0.196 172 E C 1.899 178.540 176.600 0.068 0.000 0.993 172 E CA 1.609 58.049 56.400 0.068 0.000 0.819 172 E CB -0.327 29.398 29.700 0.040 0.000 0.745 172 E HN 0.386 nan 8.360 nan 0.000 0.477 173 V N 1.929 121.883 119.914 0.065 0.000 2.379 173 V HA -0.167 3.953 4.120 -0.000 0.000 0.245 173 V C 2.752 178.868 176.094 0.037 0.000 1.044 173 V CA 1.683 64.003 62.300 0.032 0.000 1.036 173 V CB -0.817 31.010 31.823 0.006 0.000 0.664 173 V HN 0.438 nan 8.190 nan 0.000 0.453 174 A N 0.276 123.149 122.820 0.088 0.000 1.883 174 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 174 A C 2.458 180.141 177.584 0.165 0.000 1.186 174 A CA 2.306 54.419 52.037 0.128 0.000 0.624 174 A CB -0.941 18.236 19.000 0.294 0.000 0.822 174 A HN 0.562 nan 8.150 nan 0.000 0.444 175 A N -0.647 122.270 122.820 0.162 0.000 1.873 175 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 175 A C 2.263 179.933 177.584 0.144 0.000 1.193 175 A CA 2.313 54.438 52.037 0.147 0.000 0.629 175 A CB -0.638 18.415 19.000 0.088 0.000 0.826 175 A HN 0.558 nan 8.150 nan 0.000 0.447 176 M N -0.265 119.390 119.600 0.092 0.000 2.082 176 M HA -0.163 4.317 4.480 -0.000 0.000 0.258 176 M C 2.042 178.389 176.300 0.078 0.000 1.069 176 M CA 1.932 57.273 55.300 0.067 0.000 1.102 176 M CB -0.818 31.805 32.600 0.038 0.000 1.336 176 M HN 0.445 nan 8.290 nan 0.000 0.404 177 L N -1.317 119.950 121.223 0.073 0.000 2.056 177 L HA -0.223 4.117 4.340 -0.000 0.000 0.207 177 L C 2.509 179.477 176.870 0.163 0.000 1.078 177 L CA 1.125 56.009 54.840 0.074 0.000 0.749 177 L CB -1.005 41.011 42.059 -0.072 0.000 0.901 177 L HN 0.276 nan 8.230 nan 0.000 0.433 178 Y N 0.945 121.284 120.300 0.065 0.000 2.403 178 Y HA -0.238 4.312 4.550 -0.000 0.000 0.291 178 Y C 2.241 178.184 175.900 0.072 0.000 1.143 178 Y CA 1.417 59.572 58.100 0.092 0.000 1.257 178 Y CB 0.035 38.556 38.460 0.101 0.000 0.984 178 Y HN 0.139 nan 8.280 nan 0.000 0.550 179 E N 0.111 120.353 120.200 0.069 0.000 2.479 179 E HA -0.016 4.334 4.350 -0.000 0.000 0.193 179 E C -0.322 176.260 176.600 -0.030 0.000 1.049 179 E CA 0.065 56.452 56.400 -0.021 0.000 0.870 179 E CB -0.009 29.721 29.700 0.049 0.000 0.944 179 E HN 0.261 nan 8.360 nan 0.000 0.492 180 D N -0.212 120.187 120.400 -0.001 0.000 2.317 180 D HA 0.074 4.714 4.640 -0.000 0.000 0.234 180 D C 0.961 177.258 176.300 -0.005 0.000 1.112 180 D CA 0.445 54.454 54.000 0.015 0.000 0.840 180 D CB 1.305 42.138 40.800 0.054 0.000 1.078 180 D HN 0.208 nan 8.370 nan 0.000 0.486 181 E N 4.138 124.328 120.200 -0.016 0.000 2.118 181 E HA -0.254 4.095 4.350 -0.000 0.000 0.195 181 E C 1.859 178.450 176.600 -0.015 0.000 0.992 181 E CA 1.454 57.837 56.400 -0.029 0.000 0.804 181 E CB -0.453 29.232 29.700 -0.026 0.000 0.741 181 E HN 0.577 nan 8.360 nan 0.000 0.458 182 R N -0.037 120.463 120.500 -0.000 0.000 2.115 182 R HA 0.027 4.367 4.340 -0.000 0.000 0.230 182 R C 2.475 178.779 176.300 0.006 0.000 1.111 182 R CA 1.186 57.282 56.100 -0.007 0.000 0.976 182 R CB -0.698 29.591 30.300 -0.019 0.000 0.870 182 R HN 0.362 nan 8.270 nan 0.000 0.445 183 V N 0.761 120.701 119.914 0.042 0.000 2.307 183 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 183 V C 2.344 178.473 176.094 0.057 0.000 1.045 183 V CA 1.836 64.188 62.300 0.087 0.000 1.024 183 V CB -0.437 31.498 31.823 0.187 0.000 0.651 183 V HN 0.149 nan 8.190 nan 0.000 0.449 184 R N 0.405 120.918 120.500 0.021 0.000 2.096 184 R HA -0.135 4.204 4.340 -0.000 0.000 0.235 184 R C 2.413 178.704 176.300 -0.015 0.000 1.127 184 R CA 1.585 57.678 56.100 -0.011 0.000 0.968 184 R CB -0.576 29.668 30.300 -0.093 0.000 0.861 184 R HN 0.388 nan 8.270 nan 0.000 0.440 185 R N -0.123 120.364 120.500 -0.021 0.000 2.117 185 R HA -0.091 4.249 4.340 -0.000 0.000 0.243 185 R C 0.390 176.674 176.300 -0.028 0.000 1.143 185 R CA 1.302 57.387 56.100 -0.025 0.000 0.968 185 R CB -0.075 30.209 30.300 -0.026 0.000 0.863 185 R HN -0.059 nan 8.270 nan 0.000 0.444 186 R N 0.762 121.243 120.500 -0.031 0.000 3.268 186 R HA 0.012 4.352 4.340 -0.000 0.000 0.217 186 R C 0.933 177.195 176.300 -0.064 0.000 1.568 186 R CA 0.133 56.205 56.100 -0.048 0.000 1.322 186 R CB 0.211 30.475 30.300 -0.060 0.000 1.280 186 R HN 0.251 nan 8.270 nan 0.000 0.667 187 S N -0.338 115.329 115.700 -0.055 0.000 2.522 187 S HA -0.075 4.395 4.470 -0.000 0.000 0.227 187 S C 0.726 175.262 174.600 -0.107 0.000 0.986 187 S CA 0.314 58.474 58.200 -0.067 0.000 0.929 187 S CB -0.204 62.966 63.200 -0.050 0.000 0.769 187 S HN 0.586 nan 8.310 nan 0.000 0.529 188 D N 0.034 120.375 120.400 -0.098 0.000 2.481 188 D HA 0.139 4.779 4.640 -0.000 0.000 0.283 188 D C 0.718 176.948 176.300 -0.116 0.000 1.192 188 D CA -0.970 52.949 54.000 -0.135 0.000 1.100 188 D CB -0.707 40.062 40.800 -0.052 0.000 1.166 188 D HN 0.286 nan 8.370 nan 0.000 0.584 189 W N -0.506 120.754 121.300 -0.066 0.000 2.525 189 W HA 0.185 4.844 4.660 -0.000 0.000 0.259 189 W C 2.195 178.653 176.519 -0.103 0.000 1.253 189 W CA 0.384 57.681 57.345 -0.080 0.000 1.262 189 W CB 0.075 29.495 29.460 -0.068 0.000 1.122 189 W HN 0.537 nan 8.180 nan 0.000 0.607 190 G N 0.124 108.991 108.800 0.111 0.000 2.776 190 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.209 190 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.209 190 G C 1.219 176.083 174.900 -0.060 0.000 1.145 190 G CA 0.248 45.359 45.100 0.017 0.000 0.791 190 G HN 0.175 nan 8.290 nan 0.000 0.530 191 I N 1.476 121.976 120.570 -0.118 0.000 2.163 191 I HA -0.169 4.001 4.170 -0.000 0.000 0.243 191 I C 2.008 177.867 176.117 -0.431 0.000 1.085 191 I CA 1.504 62.608 61.300 -0.326 0.000 1.347 191 I CB -0.139 37.608 38.000 -0.422 0.000 1.044 191 I HN 0.151 nan 8.210 nan 0.000 0.408 192 D N -0.554 119.701 120.400 -0.242 0.000 2.117 192 D HA -0.161 4.479 4.640 -0.000 0.000 0.197 192 D C 2.050 178.343 176.300 -0.012 0.000 0.987 192 D CA 1.975 55.890 54.000 -0.142 0.000 0.829 192 D CB -0.500 40.286 40.800 -0.024 0.000 0.961 192 D HN 0.371 nan 8.370 nan 0.000 0.460 193 T N 2.006 116.564 114.554 0.006 0.000 2.759 193 T HA -0.110 4.240 4.350 -0.000 0.000 0.269 193 T C 2.026 176.820 174.700 0.158 0.000 1.042 193 T CA 0.382 62.538 62.100 0.094 0.000 1.140 193 T CB -0.090 68.787 68.868 0.015 0.000 0.864 193 T HN 0.064 nan 8.240 nan 0.000 0.455 194 L N 0.033 121.288 121.223 0.053 0.000 1.994 194 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 194 L C 2.482 179.498 176.870 0.243 0.000 1.071 194 L CA 1.946 56.848 54.840 0.103 0.000 0.745 194 L CB -1.218 40.848 42.059 0.012 0.000 0.892 194 L HN 0.290 nan 8.230 nan 0.000 0.431 195 Y N 0.521 120.856 120.300 0.058 0.000 2.193 195 Y HA -0.226 4.324 4.550 -0.000 0.000 0.285 195 Y C 2.855 178.773 175.900 0.031 0.000 1.166 195 Y CA 1.304 59.425 58.100 0.035 0.000 1.181 195 Y CB -1.604 36.852 38.460 -0.006 0.000 0.976 195 Y HN 0.238 nan 8.280 nan 0.000 0.520 196 T N 0.192 114.877 114.554 0.218 0.000 2.701 196 T HA -0.184 4.165 4.350 -0.000 0.000 0.263 196 T C 1.748 176.457 174.700 0.014 0.000 1.040 196 T CA 1.312 63.475 62.100 0.105 0.000 1.147 196 T CB -0.779 68.189 68.868 0.167 0.000 0.865 196 T HN 0.289 nan 8.240 nan 0.000 0.426 197 F N 1.605 121.530 119.950 -0.041 0.000 2.126 197 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 197 F C 2.164 177.847 175.800 -0.194 0.000 1.096 197 F CA 1.019 58.895 58.000 -0.207 0.000 1.255 197 F CB -0.396 38.537 39.000 -0.111 0.000 0.997 197 F HN -0.089 nan 8.300 nan 0.000 0.479 198 V N 0.136 120.131 119.914 0.135 0.000 2.346 198 V HA -0.247 3.872 4.120 -0.000 0.000 0.244 198 V C 2.611 178.656 176.094 -0.082 0.000 1.037 198 V CA 2.078 64.425 62.300 0.079 0.000 1.029 198 V CB -1.167 30.768 31.823 0.186 0.000 0.663 198 V HN 0.595 nan 8.190 nan 0.000 0.454 199 T N -1.441 113.077 114.554 -0.060 0.000 2.737 199 T HA -0.225 4.125 4.350 -0.000 0.000 0.269 199 T C 1.801 176.397 174.700 -0.174 0.000 1.040 199 T CA 1.965 64.008 62.100 -0.095 0.000 1.142 199 T CB -0.729 68.094 68.868 -0.075 0.000 0.861 199 T HN 0.222 nan 8.240 nan 0.000 0.456 200 V N 2.040 121.785 119.914 -0.282 0.000 2.323 200 V HA 0.027 4.146 4.120 -0.000 0.000 0.244 200 V C 3.258 179.122 176.094 -0.383 0.000 1.041 200 V CA 1.520 63.602 62.300 -0.363 0.000 1.025 200 V CB -1.365 30.159 31.823 -0.499 0.000 0.656 200 V HN 0.696 nan 8.190 nan 0.000 0.451 201 A N -0.008 122.499 122.820 -0.520 0.000 1.972 201 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 201 A C 2.186 179.634 177.584 -0.225 0.000 1.169 201 A CA 1.821 53.578 52.037 -0.465 0.000 0.635 201 A CB -0.612 18.038 19.000 -0.583 0.000 0.810 201 A HN 0.601 nan 8.150 nan 0.000 0.446 202 A N -1.207 121.515 122.820 -0.163 0.000 2.252 202 A HA 0.403 4.722 4.320 -0.000 0.000 0.207 202 A C 1.701 179.236 177.584 -0.081 0.000 1.194 202 A CA 1.043 53.026 52.037 -0.089 0.000 0.809 202 A CB -1.294 17.672 19.000 -0.057 0.000 0.814 202 A HN 1.859 nan 8.150 nan 0.000 0.482 203 G N -0.417 108.319 108.800 -0.107 0.000 2.341 203 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.292 203 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.292 203 G C 0.235 175.104 174.900 -0.053 0.000 1.021 203 G CA 0.329 45.382 45.100 -0.080 0.000 0.905 203 G HN 0.755 nan 8.290 nan 0.000 0.508 204 V N 0.684 120.562 119.914 -0.059 0.000 2.872 204 V HA 0.391 4.511 4.120 -0.000 0.000 0.307 204 V C 1.302 177.395 176.094 -0.001 0.000 1.072 204 V CA 0.390 62.674 62.300 -0.026 0.000 1.148 204 V CB 1.402 33.206 31.823 -0.031 0.000 0.954 204 V HN 1.052 nan 8.190 nan 0.000 0.490 205 S N 5.272 121.006 115.700 0.056 0.000 2.489 205 S HA 0.698 5.168 4.470 -0.000 0.000 0.277 205 S C -0.763 173.972 174.600 0.226 0.000 1.230 205 S CA -0.619 57.669 58.200 0.146 0.000 1.053 205 S CB 0.439 63.732 63.200 0.155 0.000 0.955 205 S HN 0.466 nan 8.310 nan 0.000 0.488 206 I N 3.518 124.217 120.570 0.215 0.000 2.436 206 I HA 0.385 4.555 4.170 -0.000 0.000 0.289 206 I C -1.110 175.028 176.117 0.035 0.000 1.010 206 I CA -0.864 60.496 61.300 0.100 0.000 1.098 206 I CB 1.610 39.571 38.000 -0.065 0.000 1.266 206 I HN 0.738 nan 8.210 nan 0.000 0.434 207 Y N 5.436 125.485 120.300 -0.418 0.000 2.364 207 Y HA 0.431 4.981 4.550 -0.000 0.000 0.340 207 Y C -0.533 175.175 175.900 -0.320 0.000 0.975 207 Y CA -0.710 56.995 58.100 -0.659 0.000 1.089 207 Y CB 1.466 39.110 38.460 -1.359 0.000 1.192 207 Y HN 0.505 nan 8.280 nan 0.000 0.454 208 E N 6.085 125.839 120.200 -0.743 0.000 2.073 208 E HA 0.347 4.697 4.350 -0.000 0.000 0.269 208 E C -0.913 175.301 176.600 -0.643 0.000 0.917 208 E CA -0.764 55.320 56.400 -0.528 0.000 0.757 208 E CB 0.634 30.092 29.700 -0.403 0.000 1.111 208 E HN 0.674 nan 8.360 nan 0.000 0.410 209 C N 2.271 121.309 119.300 -0.436 0.000 2.365 209 C HA 0.484 4.944 4.460 -0.000 0.000 0.351 209 C C -0.103 174.784 174.990 -0.172 0.000 1.240 209 C CA -1.053 57.794 59.018 -0.285 0.000 2.062 209 C CB -0.502 27.176 27.740 -0.105 0.000 2.387 209 C HN 0.730 nan 8.230 nan 0.000 0.537 210 Y N 3.815 123.898 120.300 -0.361 0.000 2.313 210 Y HA 0.626 5.176 4.550 -0.000 0.000 0.332 210 Y C -0.011 175.501 175.900 -0.646 0.000 1.071 210 Y CA -1.179 56.495 58.100 -0.710 0.000 1.169 210 Y CB 0.585 38.644 38.460 -0.669 0.000 1.192 210 Y HN 0.663 nan 8.280 nan 0.000 0.487 211 I N 9.926 129.707 120.570 -1.314 0.000 2.337 211 I HA 0.188 4.358 4.170 -0.000 0.000 0.285 211 I C -1.720 173.834 176.117 -0.938 0.000 1.041 211 I CA -2.243 58.451 61.300 -1.011 0.000 1.199 211 I CB 1.297 38.626 38.000 -1.119 0.000 1.370 211 I HN 0.566 nan 8.210 nan 0.000 0.470 212 P HA -0.131 nan 4.420 nan 0.000 0.220 212 P C 0.819 178.062 177.300 -0.095 0.000 1.148 212 P CA 1.337 64.247 63.100 -0.317 0.000 0.803 212 P CB 0.482 32.147 31.700 -0.059 0.000 0.782 213 E N -0.196 119.990 120.200 -0.024 0.000 2.338 213 E HA 0.191 4.541 4.350 -0.000 0.000 0.197 213 E C 1.292 177.984 176.600 0.152 0.000 1.007 213 E CA 0.703 57.179 56.400 0.126 0.000 0.849 213 E CB -0.713 29.113 29.700 0.210 0.000 0.774 213 E HN 0.302 nan 8.360 nan 0.000 0.506 214 G N 1.105 109.973 108.800 0.113 0.000 2.828 214 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.463 214 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.463 214 G C -0.714 174.272 174.900 0.143 0.000 1.394 214 G CA -0.276 44.914 45.100 0.151 0.000 0.862 214 G HN 0.154 nan 8.290 nan 0.000 0.540 215 K N 0.475 120.756 120.400 -0.198 0.000 2.354 215 K HA 0.639 4.959 4.320 -0.000 0.000 0.257 215 K C 0.472 177.019 176.600 -0.089 0.000 1.062 215 K CA 0.040 56.114 56.287 -0.355 0.000 0.971 215 K CB 0.395 32.220 32.500 -1.125 0.000 1.305 215 K HN 1.234 nan 8.250 nan 0.000 0.449 216 A N 4.909 127.786 122.820 0.094 0.000 2.350 216 A HA 0.255 4.575 4.320 -0.000 0.000 0.293 216 A C -0.538 177.167 177.584 0.201 0.000 1.231 216 A CA -0.190 51.949 52.037 0.169 0.000 0.883 216 A CB -0.372 18.718 19.000 0.149 0.000 1.133 216 A HN 1.021 nan 8.150 nan 0.000 0.533 217 H N 0.956 120.039 119.070 0.021 0.000 3.471 217 H HA 0.668 5.224 4.556 -0.000 0.000 0.318 217 H C -0.188 175.162 175.328 0.037 0.000 1.676 217 H CA -1.408 54.653 56.048 0.022 0.000 1.293 217 H CB 0.648 30.417 29.762 0.012 0.000 1.738 217 H HN 0.477 nan 8.280 nan 0.000 0.690 218 R N 0.467 120.873 120.500 -0.158 0.000 2.522 218 R HA 0.282 4.622 4.340 -0.000 0.000 0.284 218 R C -0.116 175.949 176.300 -0.392 0.000 1.032 218 R CA 0.431 56.405 56.100 -0.209 0.000 1.049 218 R CB 0.395 30.634 30.300 -0.101 0.000 0.956 218 R HN 0.434 nan 8.270 nan 0.000 0.422 219 L N 2.047 123.162 121.223 -0.181 0.000 2.439 219 L HA 0.754 5.094 4.340 -0.000 0.000 0.259 219 L C 0.161 176.990 176.870 -0.069 0.000 1.129 219 L CA -0.678 54.088 54.840 -0.123 0.000 0.803 219 L CB 0.113 42.153 42.059 -0.033 0.000 1.161 219 L HN 0.828 nan 8.230 nan 0.000 0.462 220 Y N -0.003 120.284 120.300 -0.020 0.000 2.442 220 Y HA 0.659 5.209 4.550 -0.000 0.000 0.344 220 Y C 0.828 176.763 175.900 0.058 0.000 0.976 220 Y CA -0.620 57.493 58.100 0.021 0.000 1.040 220 Y CB 1.431 39.908 38.460 0.028 0.000 1.228 220 Y HN 1.425 nan 8.280 nan 0.000 0.451 221 G N 1.174 110.011 108.800 0.061 0.000 2.605 221 G HA2 0.352 4.312 3.960 -0.000 0.000 0.215 221 G HA3 0.352 4.312 3.960 -0.000 0.000 0.215 221 G C 0.955 175.923 174.900 0.115 0.000 1.279 221 G CA 0.817 45.962 45.100 0.075 0.000 0.831 221 G HN 1.600 nan 8.290 nan 0.000 0.560 222 G N -1.414 107.457 108.800 0.118 0.000 2.552 222 G HA2 0.440 4.400 3.960 -0.000 0.000 0.318 222 G HA3 0.440 4.400 3.960 -0.000 0.000 0.318 222 G C 0.208 175.199 174.900 0.151 0.000 1.240 222 G CA -0.551 44.639 45.100 0.151 0.000 1.002 222 G HN 0.172 nan 8.290 nan 0.000 0.493 223 L N 0.159 121.468 121.223 0.142 0.000 2.240 223 L HA 0.093 4.433 4.340 -0.000 0.000 0.211 223 L C 2.259 179.344 176.870 0.359 0.000 1.106 223 L CA 1.393 56.318 54.840 0.141 0.000 0.793 223 L CB -0.210 41.789 42.059 -0.100 0.000 0.927 223 L HN 0.689 nan 8.230 nan 0.000 0.446 224 D N -2.252 118.355 120.400 0.346 0.000 2.363 224 D HA -0.155 4.485 4.640 -0.000 0.000 0.226 224 D C 1.128 177.454 176.300 0.044 0.000 1.020 224 D CA 0.268 54.381 54.000 0.189 0.000 0.892 224 D CB -0.379 40.369 40.800 -0.086 0.000 0.900 224 D HN 0.274 nan 8.370 nan 0.000 0.531 225 D N 0.189 120.642 120.400 0.089 0.000 2.263 225 D HA -0.095 4.545 4.640 -0.000 0.000 0.208 225 D C 1.266 177.583 176.300 0.029 0.000 0.971 225 D CA 0.531 54.561 54.000 0.050 0.000 0.867 225 D CB 0.361 41.196 40.800 0.059 0.000 0.929 225 D HN 0.238 nan 8.370 nan 0.000 0.492 226 L N -0.014 121.250 121.223 0.067 0.000 2.693 226 L HA 0.178 4.518 4.340 -0.000 0.000 0.235 226 L C 1.956 178.785 176.870 -0.068 0.000 1.127 226 L CA 0.145 54.972 54.840 -0.021 0.000 0.914 226 L CB -0.213 41.870 42.059 0.039 0.000 1.193 226 L HN -0.175 nan 8.230 nan 0.000 0.502 227 R N -0.592 119.904 120.500 -0.007 0.000 2.080 227 R HA -0.174 4.166 4.340 -0.000 0.000 0.236 227 R C 1.841 178.101 176.300 -0.066 0.000 1.137 227 R CA 2.310 58.374 56.100 -0.060 0.000 0.943 227 R CB -0.083 30.002 30.300 -0.360 0.000 0.846 227 R HN 0.272 nan 8.270 nan 0.000 0.431 228 T N 1.271 115.806 114.554 -0.032 0.000 2.652 228 T HA -0.246 4.104 4.350 -0.000 0.000 0.267 228 T C 1.736 176.477 174.700 0.068 0.000 1.039 228 T CA 1.777 63.912 62.100 0.058 0.000 1.153 228 T CB -0.251 68.705 68.868 0.147 0.000 0.863 228 T HN 0.319 nan 8.240 nan 0.000 0.428 229 M N 0.597 120.152 119.600 -0.076 0.000 2.082 229 M HA -0.124 4.356 4.480 -0.000 0.000 0.258 229 M C 2.221 178.368 176.300 -0.256 0.000 1.069 229 M CA 1.599 56.686 55.300 -0.354 0.000 1.102 229 M CB -0.320 31.786 32.600 -0.823 0.000 1.336 229 M HN 0.260 nan 8.290 nan 0.000 0.404 230 L N 0.339 121.379 121.223 -0.305 0.000 1.990 230 L HA -0.161 4.179 4.340 -0.000 0.000 0.213 230 L C 2.410 179.157 176.870 -0.205 0.000 1.072 230 L CA 2.311 56.908 54.840 -0.405 0.000 0.755 230 L CB -1.068 40.639 42.059 -0.586 0.000 0.889 230 L HN 0.407 nan 8.230 nan 0.000 0.432 231 V N -1.894 117.977 119.914 -0.073 0.000 2.427 231 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 231 V C 2.196 178.350 176.094 0.099 0.000 1.051 231 V CA 1.980 64.309 62.300 0.049 0.000 1.048 231 V CB -0.809 31.143 31.823 0.216 0.000 0.666 231 V HN 0.652 nan 8.190 nan 0.000 0.456 232 E N -0.502 119.750 120.200 0.087 0.000 2.150 232 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 232 E C 2.265 178.892 176.600 0.045 0.000 0.985 232 E CA 1.537 58.002 56.400 0.108 0.000 0.814 232 E CB -0.287 29.522 29.700 0.183 0.000 0.752 232 E HN 0.734 nan 8.360 nan 0.000 0.466 233 C N 0.375 119.669 119.300 -0.010 0.000 2.476 233 C HA -0.090 4.370 4.460 -0.000 0.000 0.278 233 C C 2.392 177.335 174.990 -0.079 0.000 1.274 233 C CA 0.177 59.158 59.018 -0.061 0.000 1.713 233 C CB -0.894 26.776 27.740 -0.116 0.000 2.039 233 C HN 0.432 nan 8.230 nan 0.000 0.484 234 F N 2.405 122.223 119.950 -0.220 0.000 2.095 234 F HA -0.116 4.411 4.527 -0.000 0.000 0.298 234 F C 2.375 178.042 175.800 -0.222 0.000 1.104 234 F CA 1.619 59.449 58.000 -0.283 0.000 1.232 234 F CB -0.638 38.074 39.000 -0.481 0.000 0.987 234 F HN 0.174 nan 8.300 nan 0.000 0.475 235 A N 0.648 123.425 122.820 -0.071 0.000 1.903 235 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 235 A C 2.456 179.933 177.584 -0.179 0.000 1.191 235 A CA 2.565 54.575 52.037 -0.045 0.000 0.638 235 A CB -1.743 17.332 19.000 0.125 0.000 0.823 235 A HN 0.587 nan 8.150 nan 0.000 0.451 236 A N -0.286 122.444 122.820 -0.149 0.000 1.883 236 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 236 A C 2.056 179.517 177.584 -0.206 0.000 1.186 236 A CA 1.774 53.725 52.037 -0.142 0.000 0.624 236 A CB -0.545 18.396 19.000 -0.099 0.000 0.822 236 A HN 0.436 nan 8.150 nan 0.000 0.444 237 I N -0.050 120.346 120.570 -0.290 0.000 2.179 237 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 237 I C 2.658 178.584 176.117 -0.318 0.000 1.088 237 I CA 1.988 63.126 61.300 -0.270 0.000 1.357 237 I CB -1.488 36.318 38.000 -0.323 0.000 1.051 237 I HN 0.591 nan 8.210 nan 0.000 0.409 238 Q N 0.847 120.320 119.800 -0.546 0.000 2.061 238 Q HA -0.240 4.100 4.340 -0.000 0.000 0.204 238 Q C 2.340 178.185 176.000 -0.259 0.000 0.984 238 Q CA 2.852 58.369 55.803 -0.477 0.000 0.846 238 Q CB -0.032 28.419 28.738 -0.480 0.000 0.902 238 Q HN 0.576 nan 8.270 nan 0.000 0.421 239 S N -0.466 115.117 115.700 -0.195 0.000 2.469 239 S HA -0.090 4.379 4.470 -0.000 0.000 0.238 239 S C 1.655 176.181 174.600 -0.123 0.000 0.998 239 S CA 0.810 58.934 58.200 -0.126 0.000 0.957 239 S CB -0.185 62.953 63.200 -0.104 0.000 0.764 239 S HN 0.463 nan 8.310 nan 0.000 0.514 240 L N 1.353 122.489 121.223 -0.145 0.000 2.567 240 L HA 0.168 4.508 4.340 -0.000 0.000 0.225 240 L C 2.709 179.648 176.870 0.115 0.000 1.119 240 L CA 0.498 55.250 54.840 -0.146 0.000 0.871 240 L CB -0.395 41.405 42.059 -0.431 0.000 1.036 240 L HN 0.494 nan 8.230 nan 0.000 0.459 241 Q N 0.053 119.817 119.800 -0.061 0.000 2.368 241 Q HA -0.227 4.113 4.340 -0.000 0.000 0.210 241 Q C 0.975 176.770 176.000 -0.341 0.000 0.982 241 Q CA 1.520 57.165 55.803 -0.263 0.000 0.884 241 Q CB -0.082 28.375 28.738 -0.468 0.000 0.933 241 Q HN 0.566 nan 8.270 nan 0.000 0.460 242 H N -0.016 119.109 119.070 0.091 0.000 2.755 242 H HA 0.282 4.838 4.556 -0.000 0.000 0.273 242 H C -0.114 175.329 175.328 0.192 0.000 1.055 242 H CA -0.220 55.883 56.048 0.091 0.000 1.191 242 H CB 0.517 30.298 29.762 0.032 0.000 1.536 242 H HN 0.279 nan 8.280 nan 0.000 0.529 243 E N 1.368 121.791 120.200 0.373 0.000 2.408 243 E HA 0.134 4.484 4.350 -0.000 0.000 0.259 243 E C 0.012 176.937 176.600 0.542 0.000 1.110 243 E CA -0.149 56.481 56.400 0.384 0.000 0.929 243 E CB 2.146 32.010 29.700 0.274 0.000 0.971 243 E HN -0.092 nan 8.360 nan 0.000 0.438 244 V N 1.741 121.877 119.914 0.370 0.000 2.815 244 V HA 0.296 4.416 4.120 -0.000 0.000 0.314 244 V C -0.570 175.628 176.094 0.174 0.000 1.064 244 V CA -0.747 61.743 62.300 0.317 0.000 0.952 244 V CB 2.237 34.177 31.823 0.195 0.000 1.020 244 V HN 0.356 nan 8.190 nan 0.000 0.439 245 V N 4.331 124.294 119.914 0.082 0.000 2.459 245 V HA 0.623 4.743 4.120 -0.000 0.000 0.295 245 V C 0.802 176.850 176.094 -0.078 0.000 1.029 245 V CA -0.138 62.080 62.300 -0.137 0.000 0.874 245 V CB 1.469 33.083 31.823 -0.349 0.000 0.985 245 V HN 1.021 nan 8.190 nan 0.000 0.438 246 G N 2.917 111.652 108.800 -0.109 0.000 2.699 246 G HA2 0.193 4.153 3.960 -0.000 0.000 0.246 246 G HA3 0.193 4.153 3.960 -0.000 0.000 0.246 246 G C -0.070 174.787 174.900 -0.071 0.000 1.219 246 G CA -0.323 44.735 45.100 -0.071 0.000 0.866 246 G HN 0.702 nan 8.290 nan 0.000 0.572 247 Q N 0.872 120.644 119.800 -0.046 0.000 2.283 247 Q HA 0.052 4.392 4.340 -0.000 0.000 0.301 247 Q C -1.747 174.219 176.000 -0.056 0.000 1.063 247 Q CA -0.635 55.144 55.803 -0.040 0.000 0.952 247 Q CB 0.555 29.276 28.738 -0.028 0.000 1.166 247 Q HN 0.324 nan 8.270 nan 0.000 0.381 248 P HA 0.201 nan 4.420 nan 0.000 0.277 248 P C -1.192 176.086 177.300 -0.038 0.000 1.240 248 P CA -0.200 62.862 63.100 -0.063 0.000 0.798 248 P CB 1.119 32.787 31.700 -0.054 0.000 0.979 249 A N 2.550 125.351 122.820 -0.031 0.000 2.717 249 A HA 0.523 4.843 4.320 -0.000 0.000 0.262 249 A C 0.359 177.968 177.584 0.043 0.000 1.483 249 A CA -0.928 51.111 52.037 0.002 0.000 0.889 249 A CB -0.122 18.883 19.000 0.008 0.000 1.604 249 A HN 0.533 nan 8.150 nan 0.000 0.523 250 I N 1.013 121.632 120.570 0.081 0.000 2.618 250 I HA 0.068 4.238 4.170 -0.000 0.000 0.284 250 I C 0.240 176.498 176.117 0.235 0.000 1.146 250 I CA 0.828 62.212 61.300 0.140 0.000 1.425 250 I CB 0.135 38.223 38.000 0.148 0.000 1.383 250 I HN 0.636 nan 8.210 nan 0.000 0.562 251 H N 7.694 126.798 119.070 0.056 0.000 3.078 251 H HA 0.470 5.026 4.556 -0.000 0.000 0.319 251 H C -1.141 174.181 175.328 -0.009 0.000 0.995 251 H CA -0.933 55.122 56.048 0.011 0.000 1.417 251 H CB 0.675 30.400 29.762 -0.061 0.000 1.598 251 H HN 0.597 nan 8.280 nan 0.000 0.515 252 R N 3.638 124.101 120.500 -0.061 0.000 2.750 252 R HA 0.266 4.606 4.340 -0.000 0.000 0.281 252 R C -1.040 175.067 176.300 -0.323 0.000 0.972 252 R CA -1.049 54.962 56.100 -0.150 0.000 0.912 252 R CB 2.781 33.172 30.300 0.151 0.000 1.187 252 R HN 0.639 nan 8.270 nan 0.000 0.464 253 Q N 0.826 120.391 119.800 -0.392 0.000 2.292 253 Q HA 0.296 4.636 4.340 -0.000 0.000 0.270 253 Q C -0.872 174.894 176.000 -0.390 0.000 1.024 253 Q CA -0.873 54.628 55.803 -0.504 0.000 0.768 253 Q CB 2.460 30.900 28.738 -0.496 0.000 1.250 253 Q HN 0.581 nan 8.270 nan 0.000 0.447 254 E N 2.829 122.785 120.200 -0.407 0.000 2.568 254 E HA -0.126 4.224 4.350 -0.000 0.000 0.262 254 E C -0.579 175.976 176.600 -0.075 0.000 0.961 254 E CA 0.140 56.475 56.400 -0.108 0.000 0.945 254 E CB 0.569 30.243 29.700 -0.044 0.000 0.924 254 E HN 0.497 nan 8.360 nan 0.000 0.467 255 H N 4.889 123.958 119.070 -0.002 0.000 2.764 255 H HA 0.113 4.668 4.556 -0.000 0.000 0.341 255 H C -1.855 173.373 175.328 -0.166 0.000 1.072 255 H CA -1.373 54.650 56.048 -0.042 0.000 1.444 255 H CB 0.689 30.432 29.762 -0.033 0.000 1.458 255 H HN 0.461 nan 8.280 nan 0.000 0.572 256 P HA 0.104 nan 4.420 nan 0.000 0.285 256 P C -0.285 176.770 177.300 -0.408 0.000 1.259 256 P CA -0.489 62.081 63.100 -0.883 0.000 0.794 256 P CB 0.965 32.300 31.700 -0.609 0.000 0.940 257 H N 0.974 119.606 119.070 -0.730 0.000 2.767 257 H HA 0.205 4.761 4.556 -0.000 0.000 0.380 257 H C 1.224 176.512 175.328 -0.068 0.000 1.409 257 H CA 0.100 56.039 56.048 -0.182 0.000 1.463 257 H CB 0.136 29.933 29.762 0.059 0.000 1.514 257 H HN 0.237 nan 8.280 nan 0.000 0.619 258 R N 0.346 120.934 120.500 0.146 0.000 2.641 258 R HA 0.139 4.479 4.340 -0.000 0.000 0.269 258 R C -0.534 175.845 176.300 0.131 0.000 1.074 258 R CA -0.453 55.712 56.100 0.108 0.000 1.133 258 R CB 0.580 30.917 30.300 0.060 0.000 1.029 258 R HN 0.304 nan 8.270 nan 0.000 0.488 259 V N 4.951 124.904 119.914 0.066 0.000 2.555 259 V HA 0.119 4.238 4.120 -0.000 0.000 0.286 259 V C -1.778 174.274 176.094 -0.070 0.000 1.044 259 V CA -1.458 60.840 62.300 -0.004 0.000 1.026 259 V CB 0.723 32.426 31.823 -0.200 0.000 0.981 259 V HN 0.644 nan 8.190 nan 0.000 0.480 260 P HA 0.051 nan 4.420 nan 0.000 0.265 260 P C 0.974 178.166 177.300 -0.180 0.000 1.187 260 P CA 0.070 63.109 63.100 -0.103 0.000 0.766 260 P CB 0.611 32.187 31.700 -0.208 0.000 0.820 261 V N 3.102 122.981 119.914 -0.059 0.000 2.343 261 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 261 V C 2.378 178.448 176.094 -0.041 0.000 1.051 261 V CA 2.230 64.498 62.300 -0.053 0.000 1.036 261 V CB -1.446 30.383 31.823 0.010 0.000 0.654 261 V HN 0.784 nan 8.190 nan 0.000 0.451 262 H N -0.543 118.520 119.070 -0.012 0.000 2.426 262 H HA -0.177 4.379 4.556 -0.000 0.000 0.298 262 H C 2.168 177.500 175.328 0.006 0.000 1.107 262 H CA 2.271 58.320 56.048 0.002 0.000 1.298 262 H CB -0.534 29.239 29.762 0.017 0.000 1.377 262 H HN 0.434 nan 8.280 nan 0.000 0.519 263 I N 1.489 121.801 120.570 -0.431 0.000 2.235 263 I HA -0.103 4.067 4.170 -0.000 0.000 0.241 263 I C 2.984 179.020 176.117 -0.135 0.000 1.085 263 I CA 1.003 62.161 61.300 -0.236 0.000 1.378 263 I CB -0.400 37.450 38.000 -0.250 0.000 1.076 263 I HN 0.305 nan 8.210 nan 0.000 0.415 264 A N -0.037 122.607 122.820 -0.294 0.000 2.186 264 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 264 A C 1.841 179.385 177.584 -0.068 0.000 1.159 264 A CA 1.531 53.352 52.037 -0.360 0.000 0.680 264 A CB -0.588 18.030 19.000 -0.636 0.000 0.787 264 A HN 0.527 nan 8.150 nan 0.000 0.467 265 E N -1.214 118.965 120.200 -0.036 0.000 2.548 265 E HA 0.098 4.448 4.350 -0.000 0.000 0.206 265 E C 0.567 177.184 176.600 0.028 0.000 1.005 265 E CA -0.378 56.026 56.400 0.007 0.000 0.951 265 E CB 0.367 30.073 29.700 0.009 0.000 1.035 265 E HN 0.459 nan 8.360 nan 0.000 0.470 266 R N 1.177 121.703 120.500 0.044 0.000 2.500 266 R HA 0.394 4.734 4.340 -0.000 0.000 0.277 266 R C -0.933 175.394 176.300 0.044 0.000 1.026 266 R CA -0.253 55.880 56.100 0.055 0.000 1.058 266 R CB 1.219 31.567 30.300 0.080 0.000 1.078 266 R HN -0.118 nan 8.270 nan 0.000 0.509 267 V N 3.397 123.320 119.914 0.016 0.000 2.444 267 V HA 0.247 4.367 4.120 -0.000 0.000 0.294 267 V C 1.074 177.161 176.094 -0.011 0.000 1.022 267 V CA -0.294 61.985 62.300 -0.034 0.000 0.850 267 V CB 1.638 33.397 31.823 -0.107 0.000 0.992 267 V HN 1.103 nan 8.190 nan 0.000 0.426 268 G N 4.401 113.225 108.800 0.038 0.000 2.471 268 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.219 268 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.219 268 G C 0.277 175.311 174.900 0.223 0.000 1.125 268 G CA 1.477 46.671 45.100 0.156 0.000 0.775 268 G HN 0.842 nan 8.290 nan 0.000 0.548 269 Y N -2.782 117.520 120.300 0.003 0.000 2.725 269 Y HA 0.590 5.140 4.550 -0.000 0.000 0.333 269 Y C -1.748 174.144 175.900 -0.012 0.000 1.242 269 Y CA -2.223 55.875 58.100 -0.003 0.000 1.059 269 Y CB 0.718 39.167 38.460 -0.019 0.000 1.306 269 Y HN -0.156 nan 8.280 nan 0.000 0.454 270 D N 1.268 121.766 120.400 0.163 0.000 2.393 270 D HA 0.230 4.870 4.640 -0.000 0.000 0.232 270 D C 0.762 177.130 176.300 0.114 0.000 1.192 270 D CA 0.064 54.105 54.000 0.067 0.000 0.882 270 D CB 1.695 42.553 40.800 0.096 0.000 1.038 270 D HN 0.556 nan 8.370 nan 0.000 0.499 271 V N 4.222 124.100 119.914 -0.060 0.000 2.295 271 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 271 V C 2.355 178.487 176.094 0.064 0.000 1.049 271 V CA 1.882 64.177 62.300 -0.008 0.000 1.024 271 V CB -0.440 31.297 31.823 -0.144 0.000 0.648 271 V HN 0.655 nan 8.190 nan 0.000 0.447 272 E N 0.365 120.591 120.200 0.043 0.000 2.038 272 E HA -0.257 4.093 4.350 -0.000 0.000 0.195 272 E C 2.249 178.924 176.600 0.124 0.000 1.000 272 E CA 1.567 58.006 56.400 0.065 0.000 0.803 272 E CB -0.276 29.449 29.700 0.041 0.000 0.750 272 E HN 0.535 nan 8.360 nan 0.000 0.448 273 A N 0.144 123.047 122.820 0.138 0.000 1.978 273 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 273 A C 2.346 180.042 177.584 0.187 0.000 1.170 273 A CA 2.054 54.201 52.037 0.183 0.000 0.636 273 A CB -0.823 18.267 19.000 0.151 0.000 0.810 273 A HN 0.354 nan 8.150 nan 0.000 0.448 274 T N 0.176 114.828 114.554 0.164 0.000 2.857 274 T HA 0.013 4.363 4.350 -0.000 0.000 0.266 274 T C 1.752 176.516 174.700 0.107 0.000 1.048 274 T CA 1.232 63.401 62.100 0.116 0.000 1.139 274 T CB -0.309 68.612 68.868 0.087 0.000 0.874 274 T HN 0.397 nan 8.240 nan 0.000 0.455 275 L N 0.020 121.319 121.223 0.127 0.000 2.093 275 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 275 L C 2.492 179.498 176.870 0.227 0.000 1.085 275 L CA 1.488 56.420 54.840 0.153 0.000 0.755 275 L CB -0.658 41.486 42.059 0.142 0.000 0.904 275 L HN 0.442 nan 8.230 nan 0.000 0.435 276 H N 0.083 119.218 119.070 0.109 0.000 2.321 276 H HA -0.221 4.335 4.556 -0.000 0.000 0.300 276 H C 2.461 177.877 175.328 0.146 0.000 1.087 276 H CA 1.320 57.437 56.048 0.116 0.000 1.319 276 H CB 0.326 30.147 29.762 0.098 0.000 1.379 276 H HN 0.026 nan 8.280 nan 0.000 0.501 277 R N 0.825 121.434 120.500 0.181 0.000 2.152 277 R HA -0.096 4.244 4.340 -0.000 0.000 0.232 277 R C 2.161 178.575 176.300 0.189 0.000 1.117 277 R CA 0.736 56.915 56.100 0.132 0.000 0.981 277 R CB -0.837 29.570 30.300 0.178 0.000 0.870 277 R HN 0.336 nan 8.270 nan 0.000 0.451 278 L N -0.238 121.101 121.223 0.194 0.000 2.265 278 L HA 0.031 4.371 4.340 -0.000 0.000 0.215 278 L C 1.488 178.549 176.870 0.318 0.000 1.117 278 L CA 1.680 56.643 54.840 0.204 0.000 0.782 278 L CB -0.167 42.012 42.059 0.199 0.000 0.914 278 L HN 0.264 nan 8.230 nan 0.000 0.441 279 M N -1.699 118.102 119.600 0.335 0.000 2.419 279 M HA 0.138 4.618 4.480 -0.000 0.000 0.252 279 M C 0.115 176.679 176.300 0.439 0.000 1.143 279 M CA 0.154 55.716 55.300 0.437 0.000 0.985 279 M CB 0.343 33.135 32.600 0.319 0.000 1.489 279 M HN 0.142 nan 8.290 nan 0.000 0.484 280 Q N -1.255 118.715 119.800 0.284 0.000 2.378 280 Q HA 0.359 4.699 4.340 -0.000 0.000 0.276 280 Q C -0.521 175.554 176.000 0.126 0.000 1.083 280 Q CA -0.859 55.054 55.803 0.185 0.000 0.856 280 Q CB 1.246 30.049 28.738 0.110 0.000 1.383 280 Q HN 0.230 nan 8.270 nan 0.000 0.458 281 H N -1.874 117.200 119.070 0.006 0.000 2.791 281 H HA -0.192 4.364 4.556 -0.000 0.000 0.302 281 H C -1.318 173.950 175.328 -0.100 0.000 1.198 281 H CA 0.512 56.527 56.048 -0.054 0.000 1.145 281 H CB -1.496 28.198 29.762 -0.114 0.000 1.385 281 H HN 0.407 nan 8.280 nan 0.000 0.409 282 W N 0.317 121.658 121.300 0.068 0.000 2.150 282 W HA 0.380 5.040 4.660 -0.000 0.000 0.341 282 W C 0.787 177.317 176.519 0.018 0.000 1.276 282 W CA 0.851 58.221 57.345 0.042 0.000 1.238 282 W CB 0.907 30.382 29.460 0.025 0.000 1.128 282 W HN 0.291 nan 8.180 nan 0.000 0.581 283 T N -0.574 114.172 114.554 0.320 0.000 2.923 283 T HA 0.308 4.658 4.350 -0.000 0.000 0.311 283 T C -2.338 172.471 174.700 0.181 0.000 1.183 283 T CA -1.967 60.238 62.100 0.176 0.000 1.020 283 T CB 1.996 70.914 68.868 0.084 0.000 1.165 283 T HN 0.009 nan 8.240 nan 0.000 0.482 284 P HA -0.084 nan 4.420 nan 0.000 0.217 284 P C 1.570 178.900 177.300 0.050 0.000 1.148 284 P CA 0.872 64.011 63.100 0.064 0.000 0.828 284 P CB 0.114 31.834 31.700 0.032 0.000 0.783 285 R N 0.169 120.687 120.500 0.031 0.000 2.073 285 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 285 R C 2.278 178.553 176.300 -0.041 0.000 1.134 285 R CA 1.710 57.801 56.100 -0.014 0.000 0.952 285 R CB -0.927 29.354 30.300 -0.032 0.000 0.850 285 R HN 0.152 nan 8.270 nan 0.000 0.433 286 Q N -0.418 119.378 119.800 -0.006 0.000 2.061 286 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 286 Q C 2.088 178.158 176.000 0.116 0.000 0.984 286 Q CA 2.086 57.885 55.803 -0.007 0.000 0.846 286 Q CB -0.131 28.620 28.738 0.022 0.000 0.902 286 Q HN 0.219 nan 8.270 nan 0.000 0.421 287 V N 1.317 121.361 119.914 0.216 0.000 2.469 287 V HA -0.273 3.847 4.120 -0.000 0.000 0.251 287 V C 2.205 178.336 176.094 0.062 0.000 1.064 287 V CA 2.136 64.528 62.300 0.153 0.000 1.066 287 V CB -0.674 31.180 31.823 0.051 0.000 0.667 287 V HN 0.457 nan 8.190 nan 0.000 0.461 288 E N -0.166 120.050 120.200 0.027 0.000 2.122 288 E HA -0.145 4.205 4.350 -0.000 0.000 0.190 288 E C 2.162 178.760 176.600 -0.004 0.000 0.977 288 E CA 0.523 56.928 56.400 0.007 0.000 0.820 288 E CB -0.034 29.665 29.700 -0.002 0.000 0.770 288 E HN 0.402 nan 8.360 nan 0.000 0.462 289 L N 1.468 122.655 121.223 -0.059 0.000 2.129 289 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 289 L C 2.413 179.322 176.870 0.064 0.000 1.087 289 L CA 1.297 56.060 54.840 -0.128 0.000 0.757 289 L CB -0.787 41.003 42.059 -0.449 0.000 0.896 289 L HN 0.261 nan 8.230 nan 0.000 0.434 290 L N -1.023 120.273 121.223 0.122 0.000 2.263 290 L HA -0.229 4.111 4.340 -0.000 0.000 0.216 290 L C 2.295 179.321 176.870 0.259 0.000 1.111 290 L CA 0.687 55.682 54.840 0.258 0.000 0.773 290 L CB -0.365 41.772 42.059 0.131 0.000 0.906 290 L HN 0.245 nan 8.230 nan 0.000 0.439 291 E N 0.304 120.579 120.200 0.126 0.000 2.338 291 E HA -0.158 4.192 4.350 -0.000 0.000 0.197 291 E C 2.051 178.680 176.600 0.048 0.000 1.007 291 E CA 0.734 57.178 56.400 0.074 0.000 0.849 291 E CB -0.119 29.601 29.700 0.034 0.000 0.774 291 E HN 0.450 nan 8.360 nan 0.000 0.506 292 L N -0.452 120.785 121.223 0.023 0.000 2.376 292 L HA 0.016 4.356 4.340 -0.000 0.000 0.219 292 L C 0.227 176.909 176.870 -0.314 0.000 1.133 292 L CA 0.078 54.788 54.840 -0.217 0.000 0.816 292 L CB -0.032 41.789 42.059 -0.397 0.000 0.933 292 L HN 0.048 nan 8.230 nan 0.000 0.449 293 F N -0.702 119.263 119.950 0.024 0.000 2.457 293 F HA 0.227 4.754 4.527 -0.000 0.000 0.330 293 F C 1.221 177.051 175.800 0.052 0.000 1.069 293 F CA -1.087 56.947 58.000 0.056 0.000 1.009 293 F CB 0.817 39.868 39.000 0.085 0.000 1.276 293 F HN -0.201 nan 8.300 nan 0.000 0.492 294 T N -2.297 112.428 114.554 0.285 0.000 2.932 294 T HA 0.053 4.403 4.350 -0.000 0.000 0.312 294 T C 1.074 175.866 174.700 0.153 0.000 1.071 294 T CA -0.305 61.904 62.100 0.181 0.000 1.128 294 T CB 0.771 69.749 68.868 0.183 0.000 0.984 294 T HN 0.653 nan 8.240 nan 0.000 0.549 295 T N 3.569 118.183 114.554 0.100 0.000 2.653 295 T HA -0.071 4.279 4.350 -0.000 0.000 0.268 295 T C -0.738 173.984 174.700 0.037 0.000 1.035 295 T CA 1.800 63.937 62.100 0.061 0.000 1.154 295 T CB -1.397 67.497 68.868 0.043 0.000 0.862 295 T HN 0.619 nan 8.240 nan 0.000 0.441 296 P HA 0.048 nan 4.420 nan 0.000 0.219 296 P C 1.609 178.889 177.300 -0.032 0.000 1.150 296 P CA 0.463 63.588 63.100 0.043 0.000 0.814 296 P CB -0.193 31.592 31.700 0.141 0.000 0.787 297 V N 0.151 120.124 119.914 0.098 0.000 2.379 297 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 297 V C 2.750 178.772 176.094 -0.120 0.000 1.044 297 V CA 1.706 64.052 62.300 0.077 0.000 1.036 297 V CB -0.987 30.998 31.823 0.269 0.000 0.664 297 V HN 0.040 nan 8.190 nan 0.000 0.453 298 R N 0.357 120.853 120.500 -0.007 0.000 2.097 298 R HA -0.235 4.105 4.340 -0.000 0.000 0.236 298 R C 2.304 178.533 176.300 -0.118 0.000 1.135 298 R CA 2.380 58.472 56.100 -0.012 0.000 0.934 298 R CB -0.303 30.030 30.300 0.055 0.000 0.846 298 R HN 0.587 nan 8.270 nan 0.000 0.431 299 E N -0.981 119.128 120.200 -0.152 0.000 2.072 299 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 299 E C 1.908 178.310 176.600 -0.330 0.000 0.985 299 E CA 0.955 57.243 56.400 -0.187 0.000 0.801 299 E CB -0.226 29.393 29.700 -0.135 0.000 0.750 299 E HN 0.626 nan 8.360 nan 0.000 0.452 300 G N 1.727 110.135 108.800 -0.653 0.000 2.514 300 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 300 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 300 G C 1.494 175.948 174.900 -0.743 0.000 1.198 300 G CA 0.461 44.759 45.100 -1.337 0.000 0.780 300 G HN 0.148 nan 8.290 nan 0.000 0.565 301 L N 0.045 120.980 121.223 -0.480 0.000 2.109 301 L HA 0.046 4.386 4.340 -0.000 0.000 0.207 301 L C 3.139 180.077 176.870 0.112 0.000 1.086 301 L CA 1.050 55.902 54.840 0.021 0.000 0.760 301 L CB -0.453 41.674 42.059 0.113 0.000 0.910 301 L HN 0.272 nan 8.230 nan 0.000 0.437 302 R N -0.898 119.566 120.500 -0.059 0.000 2.091 302 R HA -0.173 4.167 4.340 -0.000 0.000 0.238 302 R C 2.030 178.198 176.300 -0.221 0.000 1.136 302 R CA 1.964 57.950 56.100 -0.190 0.000 0.959 302 R CB -0.483 29.714 30.300 -0.172 0.000 0.856 302 R HN 0.350 nan 8.270 nan 0.000 0.437 303 T N 0.290 114.757 114.554 -0.144 0.000 2.778 303 T HA -0.204 4.146 4.350 -0.000 0.000 0.269 303 T C 1.875 176.550 174.700 -0.042 0.000 1.050 303 T CA 1.296 63.336 62.100 -0.100 0.000 1.137 303 T CB -0.386 68.435 68.868 -0.079 0.000 0.860 303 T HN 0.402 nan 8.240 nan 0.000 0.468 304 C N 1.619 120.956 119.300 0.063 0.000 2.430 304 C HA -0.051 4.409 4.460 -0.000 0.000 0.288 304 C C 2.709 177.801 174.990 0.169 0.000 1.448 304 C CA 0.235 59.385 59.018 0.219 0.000 1.784 304 C CB -1.368 26.632 27.740 0.434 0.000 1.776 304 C HN 0.618 nan 8.230 nan 0.000 0.547 305 Q N 0.128 119.801 119.800 -0.211 0.000 2.119 305 Q HA -0.115 4.224 4.340 -0.000 0.000 0.201 305 Q C 2.376 178.282 176.000 -0.158 0.000 0.972 305 Q CA 1.250 56.780 55.803 -0.454 0.000 0.847 305 Q CB -0.057 28.204 28.738 -0.796 0.000 0.903 305 Q HN 0.693 nan 8.270 nan 0.000 0.433 306 R N 0.110 120.544 120.500 -0.109 0.000 2.087 306 R HA 0.108 4.447 4.340 -0.000 0.000 0.216 306 R C 0.765 177.069 176.300 0.007 0.000 1.114 306 R CA 0.606 56.675 56.100 -0.052 0.000 1.002 306 R CB 0.337 30.598 30.300 -0.066 0.000 0.903 306 R HN 0.111 nan 8.270 nan 0.000 0.445 307 R N 0.359 120.876 120.500 0.029 0.000 2.663 307 R HA 0.378 4.718 4.340 -0.000 0.000 0.267 307 R C -3.231 173.131 176.300 0.103 0.000 1.038 307 R CA -2.034 54.102 56.100 0.059 0.000 0.886 307 R CB 1.550 31.866 30.300 0.027 0.000 1.249 307 R HN -0.240 nan 8.270 nan 0.000 0.463 308 P HA 0.196 nan 4.420 nan 0.000 0.271 308 P C -1.236 176.171 177.300 0.178 0.000 1.220 308 P CA -0.081 63.148 63.100 0.214 0.000 0.768 308 P CB 1.278 33.132 31.700 0.257 0.000 0.848 309 A N 3.176 126.135 122.820 0.232 0.000 2.393 309 A HA 0.733 5.052 4.320 -0.000 0.000 0.306 309 A C -0.431 177.371 177.584 0.364 0.000 1.050 309 A CA -0.482 51.640 52.037 0.141 0.000 0.724 309 A CB 0.504 19.595 19.000 0.151 0.000 1.248 309 A HN 0.579 nan 8.150 nan 0.000 0.424 310 F N -0.048 120.015 119.950 0.189 0.000 3.043 310 F HA 0.232 4.759 4.527 -0.000 0.000 0.400 310 F C 0.891 176.535 175.800 -0.261 0.000 1.022 310 F CA -0.234 57.677 58.000 -0.149 0.000 1.005 310 F CB -0.337 38.569 39.000 -0.158 0.000 1.338 310 F HN 0.362 nan 8.300 nan 0.000 0.543 311 N N 2.376 120.881 118.700 -0.324 0.000 2.192 311 N HA -0.199 4.541 4.740 -0.000 0.000 0.188 311 N C 1.730 177.217 175.510 -0.038 0.000 1.013 311 N CA 2.210 55.184 53.050 -0.127 0.000 0.863 311 N CB -0.780 37.630 38.487 -0.129 0.000 0.990 311 N HN 0.635 nan 8.380 nan 0.000 0.430 312 F N -0.188 119.763 119.950 0.002 0.000 2.250 312 F HA 0.036 4.563 4.527 -0.000 0.000 0.301 312 F C 1.357 177.218 175.800 0.102 0.000 1.077 312 F CA 0.422 58.451 58.000 0.049 0.000 1.348 312 F CB -0.577 38.449 39.000 0.044 0.000 1.040 312 F HN -0.124 nan 8.300 nan 0.000 0.509 313 M N 3.360 122.452 119.600 -0.848 0.000 3.709 313 M HA 0.166 4.646 4.480 -0.000 0.000 0.202 313 M C -0.258 175.967 176.300 -0.125 0.000 1.360 313 M CA -1.166 53.830 55.300 -0.506 0.000 1.600 313 M CB -1.669 30.483 32.600 -0.746 0.000 1.061 313 M HN 0.386 nan 8.290 nan 0.000 0.575 314 D N -0.916 119.495 120.400 0.018 0.000 2.325 314 D HA -0.046 4.594 4.640 -0.000 0.000 0.262 314 D C 0.889 177.313 176.300 0.207 0.000 1.263 314 D CA 0.032 54.087 54.000 0.092 0.000 1.020 314 D CB 0.205 41.067 40.800 0.104 0.000 1.117 314 D HN 0.518 nan 8.370 nan 0.000 0.545 315 E N -0.954 119.389 120.200 0.238 0.000 2.072 315 E HA -0.176 4.174 4.350 -0.000 0.000 0.190 315 E C 2.078 178.940 176.600 0.436 0.000 0.982 315 E CA 0.750 57.355 56.400 0.340 0.000 0.803 315 E CB -0.077 29.768 29.700 0.242 0.000 0.755 315 E HN 0.495 nan 8.360 nan 0.000 0.453 316 M N 0.511 120.303 119.600 0.321 0.000 2.099 316 M HA -0.075 4.404 4.480 -0.000 0.000 0.262 316 M C 2.541 179.019 176.300 0.296 0.000 1.067 316 M CA 1.468 56.950 55.300 0.302 0.000 1.124 316 M CB -0.205 32.528 32.600 0.222 0.000 1.353 316 M HN 0.244 nan 8.290 nan 0.000 0.410 317 A N -0.039 122.955 122.820 0.290 0.000 1.940 317 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 317 A C 2.037 179.841 177.584 0.366 0.000 1.176 317 A CA 1.400 53.620 52.037 0.306 0.000 0.631 317 A CB -1.384 17.801 19.000 0.308 0.000 0.814 317 A HN 0.838 nan 8.150 nan 0.000 0.446 318 W N 0.431 121.846 121.300 0.191 0.000 2.388 318 W HA -0.125 4.535 4.660 -0.000 0.000 0.294 318 W C 2.222 178.849 176.519 0.180 0.000 1.212 318 W CA 1.427 58.886 57.345 0.190 0.000 1.271 318 W CB -0.045 29.534 29.460 0.198 0.000 1.126 318 W HN 0.437 nan 8.180 nan 0.000 0.535 319 A N 0.772 123.669 122.820 0.130 0.000 1.897 319 A HA -0.028 4.292 4.320 -0.000 0.000 0.215 319 A C 2.091 179.668 177.584 -0.012 0.000 1.181 319 A CA 2.069 54.014 52.037 -0.153 0.000 0.620 319 A CB -1.219 17.718 19.000 -0.105 0.000 0.821 319 A HN 0.278 nan 8.150 nan 0.000 0.443 320 A N -0.869 122.031 122.820 0.132 0.000 1.877 320 A HA -0.092 4.227 4.320 -0.000 0.000 0.216 320 A C 2.303 179.990 177.584 0.171 0.000 1.186 320 A CA 2.304 54.453 52.037 0.187 0.000 0.620 320 A CB -1.332 17.785 19.000 0.196 0.000 0.822 320 A HN 0.402 nan 8.150 nan 0.000 0.443 321 T N -1.682 112.968 114.554 0.161 0.000 2.720 321 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 321 T C 1.748 176.427 174.700 -0.035 0.000 1.037 321 T CA 1.695 63.919 62.100 0.207 0.000 1.144 321 T CB -0.426 68.521 68.868 0.133 0.000 0.864 321 T HN 0.521 nan 8.240 nan 0.000 0.444 322 Y N 1.017 121.040 120.300 -0.462 0.000 2.207 322 Y HA -0.219 4.330 4.550 -0.000 0.000 0.287 322 Y C 2.634 178.361 175.900 -0.289 0.000 1.156 322 Y CA 1.473 59.253 58.100 -0.533 0.000 1.182 322 Y CB -0.134 37.881 38.460 -0.742 0.000 0.979 322 Y HN 0.371 nan 8.280 nan 0.000 0.521 323 H N -1.830 117.256 119.070 0.027 0.000 2.363 323 H HA -0.096 4.460 4.556 -0.000 0.000 0.301 323 H C 2.429 177.746 175.328 -0.017 0.000 1.074 323 H CA 1.680 57.734 56.048 0.010 0.000 1.354 323 H CB -0.415 29.346 29.762 -0.001 0.000 1.397 323 H HN 0.238 nan 8.280 nan 0.000 0.516 324 V N 1.247 121.201 119.914 0.067 0.000 2.407 324 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 324 V C 2.736 178.822 176.094 -0.013 0.000 1.055 324 V CA 1.203 63.468 62.300 -0.059 0.000 1.049 324 V CB -0.577 30.966 31.823 -0.468 0.000 0.662 324 V HN 0.215 nan 8.190 nan 0.000 0.455 325 L N -0.989 120.225 121.223 -0.014 0.000 2.023 325 L HA -0.116 4.223 4.340 -0.000 0.000 0.205 325 L C 2.417 179.336 176.870 0.082 0.000 1.073 325 L CA 1.324 56.143 54.840 -0.035 0.000 0.745 325 L CB -0.499 41.327 42.059 -0.389 0.000 0.900 325 L HN 0.248 nan 8.230 nan 0.000 0.435 326 L N -0.225 121.049 121.223 0.086 0.000 2.064 326 L HA -0.327 4.013 4.340 -0.000 0.000 0.216 326 L C 2.594 179.436 176.870 -0.047 0.000 1.077 326 L CA 1.722 56.558 54.840 -0.006 0.000 0.766 326 L CB -0.439 41.576 42.059 -0.074 0.000 0.890 326 L HN 0.391 nan 8.230 nan 0.000 0.435 327 E N -1.182 118.994 120.200 -0.039 0.000 2.112 327 E HA -0.160 4.190 4.350 -0.000 0.000 0.190 327 E C 1.474 177.850 176.600 -0.373 0.000 0.979 327 E CA 0.946 57.246 56.400 -0.167 0.000 0.814 327 E CB 0.226 29.849 29.700 -0.128 0.000 0.762 327 E HN 0.603 nan 8.360 nan 0.000 0.460 328 H N -2.072 116.853 119.070 -0.241 0.000 2.986 328 H HA 0.168 4.723 4.556 -0.000 0.000 0.267 328 H C -0.580 174.126 175.328 -1.037 0.000 1.072 328 H CA -0.450 55.344 56.048 -0.424 0.000 1.202 328 H CB 0.341 29.965 29.762 -0.230 0.000 1.535 328 H HN 0.031 nan 8.280 nan 0.000 0.522 329 F N 2.718 122.139 119.950 -0.881 0.000 2.538 329 F HA 0.163 4.690 4.527 -0.000 0.000 0.371 329 F C -0.109 175.278 175.800 -0.688 0.000 1.087 329 F CA -0.067 57.291 58.000 -1.070 0.000 1.250 329 F CB 0.545 39.337 39.000 -0.346 0.000 1.110 329 F HN 0.014 nan 8.300 nan 0.000 0.570 330 Q N 8.235 127.109 119.800 -1.543 0.000 2.381 330 Q HA 0.316 4.656 4.340 -0.000 0.000 0.263 330 Q C -2.372 173.085 176.000 -0.905 0.000 1.030 330 Q CA -2.265 53.029 55.803 -0.849 0.000 0.772 330 Q CB 1.404 29.911 28.738 -0.385 0.000 1.232 330 Q HN 0.412 nan 8.270 nan 0.000 0.476 331 P HA -0.062 nan 4.420 nan 0.000 0.264 331 P C 0.801 178.016 177.300 -0.142 0.000 1.183 331 P CA 1.044 64.011 63.100 -0.222 0.000 0.763 331 P CB 0.702 32.424 31.700 0.036 0.000 0.807 332 G N 1.840 110.605 108.800 -0.058 0.000 2.268 332 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.240 332 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.240 332 G C 0.125 175.014 174.900 -0.019 0.000 1.010 332 G CA -0.010 45.074 45.100 -0.026 0.000 0.618 332 G HN 0.648 nan 8.290 nan 0.000 0.516 333 D N 1.757 122.134 120.400 -0.039 0.000 2.325 333 D HA 0.391 5.031 4.640 -0.000 0.000 0.251 333 D C -0.669 175.661 176.300 0.049 0.000 1.196 333 D CA -1.555 52.465 54.000 0.035 0.000 0.866 333 D CB 1.437 42.324 40.800 0.145 0.000 1.101 333 D HN 0.107 nan 8.370 nan 0.000 0.476 334 P HA -0.120 nan 4.420 nan 0.000 0.217 334 P C 0.711 178.023 177.300 0.019 0.000 1.148 334 P CA 0.895 64.008 63.100 0.022 0.000 0.828 334 P CB 0.450 32.155 31.700 0.009 0.000 0.783 335 D N -2.023 118.375 120.400 -0.004 0.000 2.120 335 D HA -0.103 4.537 4.640 -0.000 0.000 0.202 335 D C 2.027 178.295 176.300 -0.053 0.000 0.972 335 D CA 0.963 54.919 54.000 -0.073 0.000 0.837 335 D CB -0.761 39.945 40.800 -0.158 0.000 0.989 335 D HN 0.248 nan 8.370 nan 0.000 0.469 336 W N 2.126 123.427 121.300 0.003 0.000 2.338 336 W HA -0.134 4.526 4.660 -0.000 0.000 0.304 336 W C 2.513 179.166 176.519 0.224 0.000 1.212 336 W CA 0.769 58.144 57.345 0.050 0.000 1.264 336 W CB -0.099 29.226 29.460 -0.224 0.000 1.142 336 W HN 0.035 nan 8.180 nan 0.000 0.512 337 E N -0.065 120.358 120.200 0.372 0.000 2.038 337 E HA -0.301 4.049 4.350 -0.000 0.000 0.195 337 E C 1.843 178.589 176.600 0.243 0.000 1.000 337 E CA 1.753 58.371 56.400 0.364 0.000 0.803 337 E CB -0.338 29.474 29.700 0.187 0.000 0.750 337 E HN 0.229 nan 8.360 nan 0.000 0.448 338 E N 0.987 121.252 120.200 0.109 0.000 2.107 338 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 338 E C 1.963 178.600 176.600 0.060 0.000 0.982 338 E CA 0.492 56.911 56.400 0.033 0.000 0.809 338 E CB -0.182 29.470 29.700 -0.081 0.000 0.756 338 E HN 0.082 nan 8.360 nan 0.000 0.459 339 L N 0.180 121.426 121.223 0.039 0.000 2.012 339 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 339 L C 2.338 179.281 176.870 0.121 0.000 1.073 339 L CA 1.709 56.559 54.840 0.017 0.000 0.748 339 L CB -0.851 41.204 42.059 -0.006 0.000 0.891 339 L HN 0.388 nan 8.230 nan 0.000 0.431 340 L N -1.347 120.017 121.223 0.235 0.000 2.043 340 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 340 L C 2.294 179.251 176.870 0.145 0.000 1.075 340 L CA 1.983 56.877 54.840 0.090 0.000 0.752 340 L CB -0.951 41.038 42.059 -0.116 0.000 0.891 340 L HN 0.340 nan 8.230 nan 0.000 0.432 341 F N 0.381 120.355 119.950 0.039 0.000 2.084 341 F HA -0.178 4.349 4.527 -0.000 0.000 0.296 341 F C 2.359 178.232 175.800 0.122 0.000 1.111 341 F CA 1.894 59.943 58.000 0.082 0.000 1.224 341 F CB -0.312 38.695 39.000 0.010 0.000 0.991 341 F HN 0.018 nan 8.300 nan 0.000 0.471 342 K N -0.223 120.231 120.400 0.090 0.000 2.103 342 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 342 K C 1.927 178.510 176.600 -0.028 0.000 1.048 342 K CA 1.289 57.549 56.287 -0.045 0.000 0.930 342 K CB -0.462 32.000 32.500 -0.064 0.000 0.716 342 K HN 0.249 nan 8.250 nan 0.000 0.444 343 L N -0.095 121.165 121.223 0.060 0.000 2.007 343 L HA -0.121 4.219 4.340 -0.000 0.000 0.205 343 L C 2.086 179.081 176.870 0.207 0.000 1.073 343 L CA 1.525 56.460 54.840 0.158 0.000 0.744 343 L CB -1.055 41.085 42.059 0.135 0.000 0.898 343 L HN 0.281 nan 8.230 nan 0.000 0.435 344 W N 0.507 121.813 121.300 0.011 0.000 2.304 344 W HA -0.312 4.348 4.660 -0.000 0.000 0.315 344 W C 2.462 178.718 176.519 -0.439 0.000 1.233 344 W CA 2.758 59.949 57.345 -0.257 0.000 1.261 344 W CB -0.723 28.636 29.460 -0.169 0.000 1.150 344 W HN 0.116 nan 8.180 nan 0.000 0.494 345 T N -0.093 114.194 114.554 -0.444 0.000 2.635 345 T HA -0.327 4.023 4.350 -0.000 0.000 0.267 345 T C 1.791 176.181 174.700 -0.517 0.000 1.040 345 T CA 3.295 64.997 62.100 -0.664 0.000 1.156 345 T CB -1.155 67.357 68.868 -0.593 0.000 0.863 345 T HN 0.447 nan 8.240 nan 0.000 0.430 346 T N 0.708 115.092 114.554 -0.283 0.000 2.803 346 T HA -0.154 4.196 4.350 -0.000 0.000 0.269 346 T C 1.966 176.437 174.700 -0.381 0.000 1.052 346 T CA 1.418 63.384 62.100 -0.222 0.000 1.136 346 T CB -0.265 68.545 68.868 -0.097 0.000 0.864 346 T HN 0.208 nan 8.240 nan 0.000 0.467 347 R N 1.166 121.357 120.500 -0.516 0.000 2.066 347 R HA 0.061 4.401 4.340 -0.000 0.000 0.232 347 R C 2.347 178.285 176.300 -0.604 0.000 1.131 347 R CA 1.532 57.248 56.100 -0.640 0.000 0.955 347 R CB -1.234 28.354 30.300 -1.187 0.000 0.851 347 R HN 0.329 nan 8.270 nan 0.000 0.432 348 V N 1.004 120.440 119.914 -0.797 0.000 2.282 348 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 348 V C 2.342 178.190 176.094 -0.410 0.000 1.057 348 V CA 2.171 64.064 62.300 -0.679 0.000 1.032 348 V CB -0.478 30.707 31.823 -1.063 0.000 0.645 348 V HN 0.326 nan 8.190 nan 0.000 0.447 349 L N 0.029 120.953 121.223 -0.499 0.000 2.056 349 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 349 L C 2.539 179.108 176.870 -0.502 0.000 1.078 349 L CA 1.769 56.263 54.840 -0.577 0.000 0.749 349 L CB -0.851 40.641 42.059 -0.944 0.000 0.901 349 L HN 0.440 nan 8.230 nan 0.000 0.433 350 N N 0.142 118.668 118.700 -0.291 0.000 2.061 350 N HA -0.302 4.437 4.740 -0.000 0.000 0.193 350 N C 2.073 177.498 175.510 -0.141 0.000 1.030 350 N CA 2.063 55.065 53.050 -0.082 0.000 0.856 350 N CB -0.147 38.278 38.487 -0.104 0.000 1.023 350 N HN 0.396 nan 8.380 nan 0.000 0.424 351 Y N 1.597 121.711 120.300 -0.309 0.000 2.163 351 Y HA -0.110 4.440 4.550 -0.000 0.000 0.288 351 Y C 2.464 178.195 175.900 -0.283 0.000 1.136 351 Y CA 2.125 60.024 58.100 -0.334 0.000 1.147 351 Y CB -0.823 37.423 38.460 -0.358 0.000 0.987 351 Y HN -0.027 nan 8.280 nan 0.000 0.509 352 T N 1.308 115.646 114.554 -0.359 0.000 2.684 352 T HA -0.186 4.164 4.350 -0.000 0.000 0.267 352 T C 1.691 176.166 174.700 -0.374 0.000 1.036 352 T CA 2.059 63.919 62.100 -0.401 0.000 1.148 352 T CB -0.201 68.562 68.868 -0.175 0.000 0.863 352 T HN 0.307 nan 8.240 nan 0.000 0.436 353 M N 1.264 120.697 119.600 -0.279 0.000 2.435 353 M HA 0.110 4.590 4.480 -0.000 0.000 0.265 353 M C 2.432 178.623 176.300 -0.181 0.000 1.104 353 M CA 1.123 56.318 55.300 -0.176 0.000 1.140 353 M CB -1.551 31.038 32.600 -0.018 0.000 1.372 353 M HN 0.427 nan 8.290 nan 0.000 0.456 354 T N -3.455 110.969 114.554 -0.217 0.000 3.023 354 T HA 0.314 4.664 4.350 -0.000 0.000 0.253 354 T C 1.366 175.882 174.700 -0.306 0.000 1.038 354 T CA 0.085 62.061 62.100 -0.207 0.000 0.962 354 T CB 0.205 68.996 68.868 -0.130 0.000 1.018 354 T HN 0.071 nan 8.240 nan 0.000 0.521 355 V N 0.358 120.005 119.914 -0.445 0.000 3.442 355 V HA 0.468 4.588 4.120 -0.000 0.000 0.205 355 V C 2.839 178.634 176.094 -0.497 0.000 1.320 355 V CA 0.406 62.423 62.300 -0.472 0.000 1.306 355 V CB -0.652 30.759 31.823 -0.687 0.000 1.267 355 V HN 0.386 nan 8.190 nan 0.000 0.538 356 A N 0.157 122.496 122.820 -0.802 0.000 1.940 356 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 356 A C 2.019 179.419 177.584 -0.308 0.000 1.176 356 A CA 2.173 53.868 52.037 -0.569 0.000 0.631 356 A CB -0.542 18.092 19.000 -0.610 0.000 0.814 356 A HN 0.414 nan 8.150 nan 0.000 0.446 357 L N -0.067 120.967 121.223 -0.314 0.000 2.275 357 L HA -0.036 4.304 4.340 -0.000 0.000 0.215 357 L C 2.086 178.830 176.870 -0.211 0.000 1.119 357 L CA 1.417 56.123 54.840 -0.224 0.000 0.790 357 L CB -0.572 41.360 42.059 -0.211 0.000 0.919 357 L HN 0.359 nan 8.230 nan 0.000 0.443 358 R N -0.192 120.137 120.500 -0.285 0.000 2.313 358 R HA 0.359 4.699 4.340 -0.000 0.000 0.199 358 R C 0.490 176.691 176.300 -0.164 0.000 0.958 358 R CA 0.545 56.444 56.100 -0.334 0.000 1.047 358 R CB -0.208 29.638 30.300 -0.757 0.000 0.955 358 R HN 0.416 nan 8.270 nan 0.000 0.481 359 G N -0.138 108.618 108.800 -0.074 0.000 2.640 359 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.686 359 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.686 359 G C -0.179 174.792 174.900 0.118 0.000 1.229 359 G CA -0.586 44.539 45.100 0.041 0.000 0.796 359 G HN 0.101 nan 8.290 nan 0.000 0.654 360 Y N 0.846 121.167 120.300 0.034 0.000 2.030 360 Y HA -0.272 4.278 4.550 -0.000 0.000 0.272 360 Y C 2.584 178.536 175.900 0.088 0.000 1.185 360 Y CA 3.116 61.250 58.100 0.057 0.000 1.120 360 Y CB 0.031 38.523 38.460 0.052 0.000 0.955 360 Y HN 0.634 nan 8.280 nan 0.000 0.495 361 D N -1.421 119.132 120.400 0.256 0.000 2.117 361 D HA -0.222 4.418 4.640 -0.000 0.000 0.197 361 D C 1.943 178.287 176.300 0.072 0.000 0.987 361 D CA 1.602 55.700 54.000 0.164 0.000 0.829 361 D CB -0.871 40.034 40.800 0.176 0.000 0.961 361 D HN 0.517 nan 8.370 nan 0.000 0.460 362 Y N 1.657 121.956 120.300 -0.000 0.000 2.128 362 Y HA -0.224 4.326 4.550 -0.000 0.000 0.284 362 Y C 2.281 178.159 175.900 -0.036 0.000 1.154 362 Y CA 1.828 59.918 58.100 -0.018 0.000 1.149 362 Y CB -0.400 38.037 38.460 -0.039 0.000 0.976 362 Y HN -0.044 nan 8.280 nan 0.000 0.505 363 A N 0.345 123.223 122.820 0.096 0.000 1.859 363 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 363 A C 2.120 179.639 177.584 -0.109 0.000 1.198 363 A CA 2.062 54.090 52.037 -0.014 0.000 0.629 363 A CB -0.875 18.063 19.000 -0.104 0.000 0.830 363 A HN 0.566 nan 8.150 nan 0.000 0.446 364 Q N -0.368 119.308 119.800 -0.206 0.000 2.077 364 Q HA -0.273 4.067 4.340 -0.000 0.000 0.206 364 Q C 2.182 178.194 176.000 0.019 0.000 0.989 364 Q CA 2.142 57.872 55.803 -0.121 0.000 0.853 364 Q CB -0.593 28.125 28.738 -0.033 0.000 0.907 364 Q HN 0.850 nan 8.270 nan 0.000 0.418 365 Q N -0.687 119.083 119.800 -0.051 0.000 2.084 365 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 365 Q C 1.936 177.854 176.000 -0.136 0.000 0.978 365 Q CA 1.477 57.234 55.803 -0.077 0.000 0.844 365 Q CB -0.291 28.347 28.738 -0.167 0.000 0.898 365 Q HN 0.429 nan 8.270 nan 0.000 0.426 366 Y N 1.153 121.254 120.300 -0.330 0.000 2.097 366 Y HA -0.252 4.298 4.550 -0.000 0.000 0.282 366 Y C 1.799 177.527 175.900 -0.287 0.000 1.152 366 Y CA 1.494 59.412 58.100 -0.305 0.000 1.136 366 Y CB -0.221 38.086 38.460 -0.254 0.000 0.975 366 Y HN 0.005 nan 8.280 nan 0.000 0.498 367 L N -1.094 119.915 121.223 -0.357 0.000 2.042 367 L HA -0.279 4.061 4.340 -0.000 0.000 0.210 367 L C 2.233 178.735 176.870 -0.612 0.000 1.076 367 L CA 1.627 55.997 54.840 -0.784 0.000 0.749 367 L CB -0.828 40.186 42.059 -1.743 0.000 0.893 367 L HN 0.264 nan 8.230 nan 0.000 0.432 368 Y N -0.313 119.804 120.300 -0.305 0.000 2.333 368 Y HA -0.177 4.373 4.550 -0.000 0.000 0.290 368 Y C 2.716 178.478 175.900 -0.230 0.000 1.144 368 Y CA 1.110 59.137 58.100 -0.121 0.000 1.228 368 Y CB -0.251 38.171 38.460 -0.063 0.000 0.985 368 Y HN 0.046 nan 8.280 nan 0.000 0.542 369 R N -0.927 119.448 120.500 -0.209 0.000 2.100 369 R HA -0.080 4.260 4.340 -0.000 0.000 0.220 369 R C 2.312 178.373 176.300 -0.398 0.000 1.091 369 R CA 0.850 56.790 56.100 -0.266 0.000 0.986 369 R CB -0.276 29.862 30.300 -0.270 0.000 0.888 369 R HN 0.353 nan 8.270 nan 0.000 0.444 370 M N 1.062 120.268 119.600 -0.657 0.000 2.163 370 M HA -0.273 4.207 4.480 -0.000 0.000 0.258 370 M C 2.061 178.022 176.300 -0.564 0.000 1.071 370 M CA 1.915 56.760 55.300 -0.759 0.000 1.093 370 M CB -0.241 31.878 32.600 -0.803 0.000 1.285 370 M HN 0.170 nan 8.290 nan 0.000 0.420 371 L N -0.541 120.511 121.223 -0.284 0.000 2.043 371 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 371 L C 2.602 179.411 176.870 -0.102 0.000 1.075 371 L CA 1.659 56.436 54.840 -0.104 0.000 0.752 371 L CB -1.613 40.393 42.059 -0.088 0.000 0.891 371 L HN 0.564 nan 8.230 nan 0.000 0.432 372 G N -0.475 108.238 108.800 -0.145 0.000 2.446 372 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.217 372 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.217 372 G C 1.769 176.671 174.900 0.004 0.000 1.168 372 G CA 0.524 45.582 45.100 -0.071 0.000 0.771 372 G HN 0.280 nan 8.290 nan 0.000 0.551 373 R N -1.116 119.343 120.500 -0.068 0.000 2.075 373 R HA -0.043 4.296 4.340 -0.000 0.000 0.232 373 R C 2.400 178.802 176.300 0.170 0.000 1.126 373 R CA 1.145 57.259 56.100 0.022 0.000 0.963 373 R CB -0.426 29.816 30.300 -0.096 0.000 0.858 373 R HN 0.383 nan 8.270 nan 0.000 0.435 374 Y N 0.821 121.141 120.300 0.034 0.000 2.128 374 Y HA -0.175 4.375 4.550 -0.000 0.000 0.284 374 Y C 2.385 178.304 175.900 0.033 0.000 1.154 374 Y CA 0.994 59.109 58.100 0.026 0.000 1.149 374 Y CB -0.603 37.850 38.460 -0.012 0.000 0.976 374 Y HN -0.013 nan 8.280 nan 0.000 0.505 375 R N -1.383 119.239 120.500 0.203 0.000 2.091 375 R HA -0.246 4.094 4.340 -0.000 0.000 0.238 375 R C 2.199 178.571 176.300 0.120 0.000 1.136 375 R CA 1.878 58.055 56.100 0.128 0.000 0.959 375 R CB -0.716 29.647 30.300 0.105 0.000 0.856 375 R HN 0.403 nan 8.270 nan 0.000 0.437 376 Y N 1.407 121.734 120.300 0.046 0.000 2.263 376 Y HA -0.158 4.392 4.550 -0.000 0.000 0.292 376 Y C 2.118 178.050 175.900 0.052 0.000 1.130 376 Y CA 1.423 59.544 58.100 0.036 0.000 1.179 376 Y CB -0.004 38.478 38.460 0.036 0.000 0.998 376 Y HN 0.025 nan 8.280 nan 0.000 0.532 377 Q N -0.149 119.670 119.800 0.032 0.000 2.084 377 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 377 Q C 2.478 178.441 176.000 -0.061 0.000 0.978 377 Q CA 1.641 57.427 55.803 -0.027 0.000 0.844 377 Q CB -0.346 28.466 28.738 0.123 0.000 0.898 377 Q HN 0.587 nan 8.270 nan 0.000 0.426 378 A N 0.622 123.438 122.820 -0.006 0.000 1.969 378 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 378 A C 2.140 179.704 177.584 -0.032 0.000 1.169 378 A CA 1.389 53.422 52.037 -0.006 0.000 0.635 378 A CB -0.528 18.482 19.000 0.017 0.000 0.810 378 A HN 0.373 nan 8.150 nan 0.000 0.445 379 A N -0.813 121.965 122.820 -0.071 0.000 2.167 379 A HA 0.287 4.607 4.320 -0.000 0.000 0.214 379 A C 1.863 179.413 177.584 -0.058 0.000 1.151 379 A CA 0.615 52.635 52.037 -0.030 0.000 0.735 379 A CB -0.330 18.605 19.000 -0.109 0.000 0.802 379 A HN 0.445 nan 8.150 nan 0.000 0.467 380 L N -0.971 120.153 121.223 -0.166 0.000 2.375 380 L HA 0.130 4.470 4.340 -0.000 0.000 0.215 380 L C 1.690 178.514 176.870 -0.077 0.000 1.108 380 L CA 0.704 55.453 54.840 -0.152 0.000 0.830 380 L CB -0.527 41.387 42.059 -0.242 0.000 0.959 380 L HN 0.605 nan 8.230 nan 0.000 0.457 381 E N 0.000 120.162 120.200 -0.064 0.000 2.725 381 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 381 E CA 0.000 56.369 56.400 -0.052 0.000 0.976 381 E CB 0.000 29.659 29.700 -0.069 0.000 0.812 381 E HN 0.000 nan 8.360 nan 0.000 0.440