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 2y4k_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 0.000 174.432 174.600 -0.280 0.000 1.055 2 S CA 0.000 58.106 58.200 -0.156 0.000 1.107 2 S CB 0.000 63.197 63.200 -0.006 0.000 0.593 3 L N 2.693 123.904 121.223 -0.021 0.000 2.265 3 L HA 0.668 5.010 4.340 0.003 0.000 0.288 3 L C -1.049 175.741 176.870 -0.134 0.000 1.058 3 L CA -0.066 54.766 54.840 -0.014 0.000 0.809 3 L CB 0.853 43.075 42.059 0.271 0.000 1.179 3 L HN 0.476 nan 8.230 nan 0.000 0.429 4 V N 6.372 126.172 119.914 -0.190 0.000 2.347 4 V HA 0.422 4.543 4.120 0.003 0.000 0.280 4 V C -0.210 175.662 176.094 -0.371 0.000 1.021 4 V CA -0.656 61.469 62.300 -0.291 0.000 0.847 4 V CB 1.503 33.166 31.823 -0.267 0.000 0.990 4 V HN 0.506 nan 8.190 nan 0.000 0.444 5 V N 5.673 125.269 119.914 -0.531 0.000 2.435 5 V HA 0.523 4.645 4.120 0.003 0.000 0.290 5 V C -0.651 175.189 176.094 -0.424 0.000 1.030 5 V CA -0.460 61.600 62.300 -0.400 0.000 0.881 5 V CB 1.456 32.985 31.823 -0.491 0.000 0.983 5 V HN 0.680 nan 8.190 nan 0.000 0.445 6 F N 6.103 126.091 119.950 0.064 0.000 2.366 6 F HA 0.481 5.010 4.527 0.003 0.000 0.366 6 F C -2.207 173.730 175.800 0.228 0.000 1.096 6 F CA -2.603 55.459 58.000 0.103 0.000 1.060 6 F CB 1.739 40.722 39.000 -0.027 0.000 1.282 6 F HN 0.304 nan 8.300 nan 0.000 0.450 7 P HA 0.246 nan 4.420 nan 0.000 0.276 7 P C -0.956 176.578 177.300 0.390 0.000 1.230 7 P CA -0.088 63.217 63.100 0.342 0.000 0.776 7 P CB 0.820 32.643 31.700 0.205 0.000 0.888 8 F N 0.777 120.775 119.950 0.080 0.000 2.613 8 F HA 0.748 5.276 4.527 0.003 0.000 0.314 8 F C 0.303 176.109 175.800 0.010 0.000 1.075 8 F CA -1.209 56.815 58.000 0.040 0.000 0.945 8 F CB 1.671 40.688 39.000 0.029 0.000 1.310 8 F HN 0.254 nan 8.300 nan 0.000 0.467 9 K N -0.570 119.813 120.400 -0.029 0.000 2.804 9 K HA 0.289 4.610 4.320 0.003 0.000 0.248 9 K C 0.266 176.751 176.600 -0.191 0.000 1.516 9 K CA -0.195 55.926 56.287 -0.278 0.000 0.881 9 K CB 0.288 32.513 32.500 -0.459 0.000 1.964 9 K HN 0.769 nan 8.250 nan 0.000 0.358 10 H N 1.655 120.752 119.070 0.045 0.000 2.486 10 H HA 0.254 4.811 4.556 0.003 0.000 0.284 10 H C -0.590 174.738 175.328 0.000 0.000 1.103 10 H CA -0.200 55.870 56.048 0.037 0.000 1.089 10 H CB 0.300 30.055 29.762 -0.012 0.000 1.603 10 H HN 0.274 nan 8.280 nan 0.000 0.557 11 E N 1.032 121.316 120.200 0.139 0.000 2.437 11 E HA -0.066 4.285 4.350 0.003 0.000 0.263 11 E C 0.267 176.874 176.600 0.012 0.000 1.030 11 E CA 0.162 56.594 56.400 0.054 0.000 0.934 11 E CB 0.788 30.541 29.700 0.089 0.000 0.943 11 E HN 0.307 nan 8.360 nan 0.000 0.444 12 H N 3.180 122.286 119.070 0.060 0.000 3.070 12 H HA -0.021 4.537 4.556 0.003 0.000 0.313 12 H C -1.253 174.074 175.328 -0.002 0.000 0.997 12 H CA -1.088 54.978 56.048 0.030 0.000 1.438 12 H CB 0.218 29.989 29.762 0.015 0.000 1.455 12 H HN 0.310 nan 8.280 nan 0.000 0.575 13 P HA -0.117 nan 4.420 nan 0.000 0.225 13 P C 1.282 178.563 177.300 -0.032 0.000 1.156 13 P CA 0.819 63.922 63.100 0.004 0.000 0.787 13 P CB 0.375 32.078 31.700 0.006 0.000 0.802 14 E N 0.770 120.970 120.200 -0.001 0.000 2.077 14 E HA -0.107 4.245 4.350 0.003 0.000 0.193 14 E C 1.807 178.386 176.600 -0.035 0.000 0.989 14 E CA 1.434 57.814 56.400 -0.033 0.000 0.800 14 E CB -1.447 28.227 29.700 -0.042 0.000 0.746 14 E HN 0.080 nan 8.360 nan 0.000 0.452 15 V N 1.866 121.771 119.914 -0.014 0.000 2.295 15 V HA -0.249 3.873 4.120 0.003 0.000 0.246 15 V C 2.656 178.690 176.094 -0.100 0.000 1.049 15 V CA 1.714 64.006 62.300 -0.012 0.000 1.024 15 V CB -0.883 30.951 31.823 0.019 0.000 0.648 15 V HN 0.200 nan 8.190 nan 0.000 0.447 16 L N 0.281 121.408 121.223 -0.160 0.000 1.989 16 L HA -0.173 4.169 4.340 0.003 0.000 0.211 16 L C 2.251 178.874 176.870 -0.413 0.000 1.071 16 L CA 1.997 56.636 54.840 -0.336 0.000 0.749 16 L CB -0.761 41.092 42.059 -0.343 0.000 0.890 16 L HN 0.219 nan 8.230 nan 0.000 0.431 17 L N -0.850 120.208 121.223 -0.275 0.000 2.127 17 L HA -0.262 4.080 4.340 0.003 0.000 0.211 17 L C 2.656 179.434 176.870 -0.154 0.000 1.089 17 L CA 1.577 56.276 54.840 -0.235 0.000 0.757 17 L CB -0.975 40.993 42.059 -0.152 0.000 0.899 17 L HN 0.555 nan 8.230 nan 0.000 0.434 18 H N 0.582 119.526 119.070 -0.210 0.000 2.319 18 H HA -0.185 4.373 4.556 0.003 0.000 0.299 18 H C 1.892 177.115 175.328 -0.176 0.000 1.092 18 H CA 1.766 57.720 56.048 -0.157 0.000 1.302 18 H CB 0.307 29.998 29.762 -0.119 0.000 1.373 18 H HN 0.386 nan 8.280 nan 0.000 0.497 19 N N 0.409 118.844 118.700 -0.442 0.000 2.244 19 N HA -0.116 4.626 4.740 0.003 0.000 0.183 19 N C 2.132 177.336 175.510 -0.511 0.000 1.016 19 N CA 0.977 53.674 53.050 -0.588 0.000 0.866 19 N CB -0.300 37.594 38.487 -0.988 0.000 0.980 19 N HN 0.209 nan 8.380 nan 0.000 0.430 20 V N 1.682 121.212 119.914 -0.640 0.000 2.358 20 V HA -0.221 3.901 4.120 0.003 0.000 0.246 20 V C 2.922 178.959 176.094 -0.095 0.000 1.047 20 V CA 2.317 64.400 62.300 -0.362 0.000 1.035 20 V CB -0.841 30.769 31.823 -0.356 0.000 0.658 20 V HN 0.414 nan 8.190 nan 0.000 0.452 21 R N -0.387 120.054 120.500 -0.098 0.000 2.075 21 R HA -0.076 4.265 4.340 0.003 0.000 0.232 21 R C 2.291 178.597 176.300 0.009 0.000 1.126 21 R CA 1.711 57.800 56.100 -0.019 0.000 0.963 21 R CB -1.421 28.888 30.300 0.015 0.000 0.858 21 R HN 0.405 nan 8.270 nan 0.000 0.435 22 V N 0.848 120.753 119.914 -0.014 0.000 2.343 22 V HA -0.199 3.922 4.120 0.003 0.000 0.247 22 V C 2.978 179.115 176.094 0.072 0.000 1.051 22 V CA 1.933 64.232 62.300 -0.002 0.000 1.036 22 V CB -0.752 31.016 31.823 -0.092 0.000 0.654 22 V HN 0.727 nan 8.190 nan 0.000 0.451 23 A N -0.258 122.665 122.820 0.173 0.000 1.930 23 A HA -0.049 4.273 4.320 0.003 0.000 0.217 23 A C 2.384 180.022 177.584 0.090 0.000 1.175 23 A CA 1.838 53.982 52.037 0.177 0.000 0.627 23 A CB -0.662 18.532 19.000 0.324 0.000 0.815 23 A HN 0.565 nan 8.150 nan 0.000 0.443 24 A N -0.274 122.588 122.820 0.070 0.000 1.969 24 A HA 0.242 4.563 4.320 0.003 0.000 0.218 24 A C 2.345 179.949 177.584 0.032 0.000 1.169 24 A CA 1.713 53.773 52.037 0.039 0.000 0.635 24 A CB -0.729 18.287 19.000 0.026 0.000 0.810 24 A HN 1.006 nan 8.150 nan 0.000 0.445 25 A N -1.567 121.275 122.820 0.037 0.000 2.119 25 A HA -0.005 4.317 4.320 0.003 0.000 0.216 25 A C 1.218 178.812 177.584 0.017 0.000 1.152 25 A CA 0.226 52.276 52.037 0.020 0.000 0.708 25 A CB -0.582 18.425 19.000 0.011 0.000 0.805 25 A HN 0.620 nan 8.150 nan 0.000 0.460 26 H N 0.476 119.517 119.070 -0.049 0.000 2.848 26 H HA 0.135 4.693 4.556 0.003 0.000 0.317 26 H C -1.788 173.498 175.328 -0.070 0.000 1.046 26 H CA -1.407 54.603 56.048 -0.064 0.000 1.470 26 H CB 1.190 30.901 29.762 -0.084 0.000 1.483 26 H HN 0.035 nan 8.280 nan 0.000 0.548 27 P HA -0.082 nan 4.420 nan 0.000 0.221 27 P C 0.729 178.007 177.300 -0.037 0.000 1.145 27 P CA 1.301 64.317 63.100 -0.140 0.000 0.795 27 P CB 0.221 31.798 31.700 -0.204 0.000 0.775 28 R N -1.468 119.109 120.500 0.128 0.000 2.362 28 R HA 0.185 4.527 4.340 0.003 0.000 0.227 28 R C -0.163 176.001 176.300 -0.226 0.000 0.905 28 R CA -0.056 56.048 56.100 0.007 0.000 1.067 28 R CB 0.462 30.838 30.300 0.127 0.000 1.078 28 R HN 0.049 nan 8.270 nan 0.000 0.516 29 V N 1.499 121.322 119.914 -0.152 0.000 2.432 29 V HA 0.069 4.191 4.120 0.003 0.000 0.271 29 V C 0.752 176.631 176.094 -0.357 0.000 1.046 29 V CA -0.206 61.922 62.300 -0.286 0.000 0.945 29 V CB 1.061 32.794 31.823 -0.150 0.000 0.992 29 V HN 0.299 nan 8.190 nan 0.000 0.471 30 H N 2.329 121.133 119.070 -0.444 0.000 2.465 30 H HA 0.255 4.813 4.556 0.003 0.000 0.289 30 H C 0.782 175.810 175.328 -0.501 0.000 1.022 30 H CA 0.620 56.251 56.048 -0.696 0.000 1.340 30 H CB 0.756 29.498 29.762 -1.699 0.000 1.437 30 H HN 0.661 nan 8.280 nan 0.000 0.539 31 E N 0.676 120.695 120.200 -0.300 0.000 2.347 31 E HA 0.261 4.613 4.350 0.003 0.000 0.285 31 E C -1.686 174.902 176.600 -0.021 0.000 0.925 31 E CA -0.446 55.921 56.400 -0.054 0.000 0.779 31 E CB 1.995 31.793 29.700 0.164 0.000 1.233 31 E HN -0.103 nan 8.360 nan 0.000 0.414 32 V N 3.957 123.889 119.914 0.030 0.000 2.539 32 V HA 0.528 4.650 4.120 0.003 0.000 0.292 32 V C -0.428 175.698 176.094 0.054 0.000 1.045 32 V CA -0.715 61.617 62.300 0.052 0.000 0.945 32 V CB 1.349 33.238 31.823 0.109 0.000 0.993 32 V HN 0.563 nan 8.190 nan 0.000 0.464 33 L N 5.162 126.408 121.223 0.037 0.000 2.439 33 L HA 0.631 4.973 4.340 0.003 0.000 0.270 33 L C -0.612 176.297 176.870 0.066 0.000 0.972 33 L CA 0.035 54.866 54.840 -0.015 0.000 0.836 33 L CB 1.323 43.313 42.059 -0.115 0.000 1.255 33 L HN 0.760 nan 8.230 nan 0.000 0.404 34 C N 5.038 124.377 119.300 0.066 0.000 2.388 34 C HA 0.684 5.146 4.460 0.003 0.000 0.362 34 C C 0.165 175.337 174.990 0.304 0.000 1.266 34 C CA -0.688 58.438 59.018 0.181 0.000 2.028 34 C CB 0.406 28.093 27.740 -0.090 0.000 2.440 34 C HN 0.753 nan 8.230 nan 0.000 0.547 35 I N 2.784 123.607 120.570 0.421 0.000 2.410 35 I HA 0.640 4.812 4.170 0.003 0.000 0.286 35 I C 0.380 176.516 176.117 0.031 0.000 1.009 35 I CA 0.441 61.887 61.300 0.244 0.000 1.111 35 I CB 0.836 38.938 38.000 0.170 0.000 1.262 35 I HN 0.782 nan 8.210 nan 0.000 0.443 36 G N 4.766 113.431 108.800 -0.224 0.000 2.434 36 G HA2 0.191 4.152 3.960 0.003 0.000 0.330 36 G HA3 0.191 4.152 3.960 0.003 0.000 0.330 36 G C -0.301 174.378 174.900 -0.368 0.000 1.155 36 G CA -0.315 44.190 45.100 -0.992 0.000 0.917 36 G HN 0.630 nan 8.290 nan 0.000 0.493 37 Y N 0.299 120.279 120.300 -0.535 0.000 2.153 37 Y HA 0.111 4.662 4.550 0.003 0.000 0.289 37 Y C 1.224 176.999 175.900 -0.209 0.000 1.127 37 Y CA 1.760 59.668 58.100 -0.320 0.000 1.131 37 Y CB 0.281 38.524 38.460 -0.362 0.000 0.995 37 Y HN 0.654 nan 8.280 nan 0.000 0.505 38 E N -1.764 118.297 120.200 -0.232 0.000 2.430 38 E HA 0.512 4.864 4.350 0.003 0.000 0.279 38 E C -0.882 175.577 176.600 -0.236 0.000 1.003 38 E CA -0.808 55.417 56.400 -0.291 0.000 0.801 38 E CB 0.849 30.359 29.700 -0.316 0.000 1.313 38 E HN 0.025 nan 8.360 nan 0.000 0.459 39 R N 2.122 122.374 120.500 -0.413 0.000 2.605 39 R HA 0.114 4.456 4.340 0.003 0.000 0.271 39 R C -0.321 175.925 176.300 -0.091 0.000 1.418 39 R CA 0.782 56.600 56.100 -0.470 0.000 1.102 39 R CB -1.398 28.618 30.300 -0.473 0.000 1.131 39 R HN 0.581 nan 8.270 nan 0.000 0.554 40 D N 0.035 120.495 120.400 0.100 0.000 2.712 40 D HA 0.303 4.945 4.640 0.003 0.000 0.252 40 D C 1.361 177.781 176.300 0.199 0.000 1.123 40 D CA 0.156 54.252 54.000 0.159 0.000 1.109 40 D CB 0.205 41.152 40.800 0.246 0.000 1.313 40 D HN 0.196 nan 8.370 nan 0.000 0.629 41 Q N -0.175 119.724 119.800 0.165 0.000 2.077 41 Q HA -0.160 4.182 4.340 0.003 0.000 0.206 41 Q C 2.122 178.228 176.000 0.176 0.000 0.989 41 Q CA 3.214 59.102 55.803 0.141 0.000 0.853 41 Q CB -1.922 26.874 28.738 0.097 0.000 0.907 41 Q HN 0.692 nan 8.270 nan 0.000 0.418 42 T N -0.715 113.980 114.554 0.235 0.000 2.674 42 T HA -0.116 4.236 4.350 0.003 0.000 0.265 42 T C 1.723 176.600 174.700 0.295 0.000 1.039 42 T CA 1.271 63.520 62.100 0.248 0.000 1.150 42 T CB -0.538 68.525 68.868 0.324 0.000 0.864 42 T HN 0.629 nan 8.240 nan 0.000 0.427 43 Y N 2.311 122.805 120.300 0.324 0.000 2.114 43 Y HA -0.190 4.361 4.550 0.002 0.000 0.282 43 Y C 2.781 178.781 175.900 0.167 0.000 1.165 43 Y CA 2.028 60.342 58.100 0.357 0.000 1.148 43 Y CB -0.825 37.802 38.460 0.279 0.000 0.972 43 Y HN 0.363 nan 8.280 nan 0.000 0.504 44 E N 0.239 120.680 120.200 0.402 0.000 2.031 44 E HA -0.129 4.223 4.350 0.003 0.000 0.193 44 E C 2.353 179.029 176.600 0.128 0.000 0.994 44 E CA 1.638 58.193 56.400 0.258 0.000 0.800 44 E CB -1.500 28.304 29.700 0.173 0.000 0.752 44 E HN 0.646 nan 8.360 nan 0.000 0.447 45 A N 0.305 123.181 122.820 0.094 0.000 1.986 45 A HA -0.059 4.263 4.320 0.003 0.000 0.220 45 A C 2.700 180.268 177.584 -0.026 0.000 1.171 45 A CA 2.100 54.157 52.037 0.033 0.000 0.640 45 A CB -0.604 18.416 19.000 0.033 0.000 0.811 45 A HN 0.486 nan 8.150 nan 0.000 0.451 46 V N -0.663 119.207 119.914 -0.074 0.000 2.346 46 V HA -0.188 3.934 4.120 0.003 0.000 0.244 46 V C 2.415 178.423 176.094 -0.143 0.000 1.037 46 V CA 1.925 64.113 62.300 -0.186 0.000 1.029 46 V CB -0.661 30.921 31.823 -0.402 0.000 0.663 46 V HN 0.725 nan 8.190 nan 0.000 0.454 47 E N 0.122 120.264 120.200 -0.097 0.000 2.118 47 E HA -0.280 4.072 4.350 0.003 0.000 0.195 47 E C 2.412 179.014 176.600 0.003 0.000 0.992 47 E CA 1.493 57.877 56.400 -0.026 0.000 0.804 47 E CB 0.030 29.794 29.700 0.107 0.000 0.741 47 E HN 0.437 nan 8.360 nan 0.000 0.458 48 R N -0.308 120.199 120.500 0.011 0.000 2.057 48 R HA -0.014 4.328 4.340 0.003 0.000 0.229 48 R C 2.228 178.523 176.300 -0.009 0.000 1.136 48 R CA 1.303 57.409 56.100 0.011 0.000 0.952 48 R CB -0.236 30.076 30.300 0.019 0.000 0.848 48 R HN 0.138 nan 8.270 nan 0.000 0.430 49 A N 0.392 123.194 122.820 -0.030 0.000 2.172 49 A HA -0.008 4.314 4.320 0.003 0.000 0.216 49 A C 2.083 179.640 177.584 -0.044 0.000 1.154 49 A CA 1.362 53.375 52.037 -0.040 0.000 0.701 49 A CB -0.523 18.442 19.000 -0.059 0.000 0.789 49 A HN 0.437 nan 8.150 nan 0.000 0.465 50 A N 1.068 123.860 122.820 -0.047 0.000 1.828 50 A HA -0.012 4.310 4.320 0.003 0.000 0.215 50 A C 0.154 177.727 177.584 -0.017 0.000 1.203 50 A CA 1.693 53.703 52.037 -0.044 0.000 0.614 50 A CB -1.616 17.354 19.000 -0.050 0.000 0.844 50 A HN 0.444 nan 8.150 nan 0.000 0.445 51 P HA -0.089 nan 4.420 nan 0.000 0.226 51 P C 1.284 178.589 177.300 0.008 0.000 1.153 51 P CA 0.970 64.077 63.100 0.011 0.000 0.777 51 P CB -0.021 31.691 31.700 0.019 0.000 0.794 52 E N 0.398 120.598 120.200 0.001 0.000 2.031 52 E HA -0.158 4.193 4.350 0.003 0.000 0.193 52 E C 1.887 178.486 176.600 -0.002 0.000 0.994 52 E CA 1.209 57.608 56.400 -0.001 0.000 0.800 52 E CB -0.560 29.137 29.700 -0.006 0.000 0.752 52 E HN 0.230 nan 8.360 nan 0.000 0.447 53 I N 0.770 121.335 120.570 -0.008 0.000 2.493 53 I HA -0.206 3.965 4.170 0.003 0.000 0.254 53 I C 2.347 178.466 176.117 0.004 0.000 1.160 53 I CA 0.573 61.869 61.300 -0.007 0.000 1.445 53 I CB -0.035 37.952 38.000 -0.022 0.000 1.086 53 I HN -0.012 nan 8.210 nan 0.000 0.433 54 S N 0.864 116.570 115.700 0.010 0.000 2.399 54 S HA -0.205 4.267 4.470 0.003 0.000 0.231 54 S C 1.894 176.509 174.600 0.026 0.000 1.022 54 S CA 1.622 59.836 58.200 0.023 0.000 0.983 54 S CB -0.255 62.964 63.200 0.031 0.000 0.803 54 S HN 0.557 nan 8.310 nan 0.000 0.480 55 R N 0.939 121.450 120.500 0.020 0.000 2.225 55 R HA 0.466 4.808 4.340 0.003 0.000 0.194 55 R C 2.126 178.435 176.300 0.015 0.000 0.957 55 R CA 0.767 56.879 56.100 0.020 0.000 1.042 55 R CB -0.565 29.747 30.300 0.019 0.000 1.004 55 R HN 0.194 nan 8.270 nan 0.000 0.509 56 A N 1.234 124.061 122.820 0.010 0.000 2.070 56 A HA -0.107 4.215 4.320 0.003 0.000 0.220 56 A C 1.986 179.575 177.584 0.008 0.000 1.159 56 A CA 1.668 53.709 52.037 0.007 0.000 0.656 56 A CB -0.539 18.462 19.000 0.003 0.000 0.800 56 A HN 0.594 nan 8.150 nan 0.000 0.453 57 T N -6.735 107.826 114.554 0.012 0.000 2.958 57 T HA 0.429 4.780 4.350 0.003 0.000 0.256 57 T C 1.387 176.098 174.700 0.017 0.000 0.983 57 T CA 1.051 63.158 62.100 0.012 0.000 0.924 57 T CB 0.306 69.182 68.868 0.013 0.000 1.136 57 T HN 1.662 nan 8.240 nan 0.000 0.506 58 G N 1.369 110.183 108.800 0.023 0.000 2.162 58 G HA2 -0.224 3.738 3.960 0.003 0.000 0.260 58 G HA3 -0.224 3.738 3.960 0.003 0.000 0.260 58 G C 0.094 175.018 174.900 0.041 0.000 0.976 58 G CA 0.330 45.449 45.100 0.032 0.000 0.655 58 G HN 0.785 nan 8.290 nan 0.000 0.533 59 T N 3.137 117.712 114.554 0.036 0.000 2.758 59 T HA 0.552 4.903 4.350 0.003 0.000 0.285 59 T C -2.378 172.355 174.700 0.054 0.000 0.981 59 T CA -1.064 61.060 62.100 0.040 0.000 0.965 59 T CB 2.440 71.319 68.868 0.019 0.000 0.927 59 T HN 0.103 nan 8.240 nan 0.000 0.448 60 P HA 0.120 nan 4.420 nan 0.000 0.260 60 P C -0.743 176.613 177.300 0.094 0.000 1.207 60 P CA -0.112 63.052 63.100 0.106 0.000 0.780 60 P CB 0.176 31.980 31.700 0.172 0.000 0.789 61 V N 4.289 124.242 119.914 0.064 0.000 2.328 61 V HA 0.234 4.355 4.120 0.003 0.000 0.278 61 V C 0.373 176.485 176.094 0.029 0.000 1.021 61 V CA -0.237 62.086 62.300 0.039 0.000 0.838 61 V CB 1.220 33.048 31.823 0.008 0.000 0.999 61 V HN 0.458 nan 8.190 nan 0.000 0.447 62 S N 4.080 119.790 115.700 0.018 0.000 2.509 62 S HA 0.777 5.248 4.470 0.003 0.000 0.297 62 S C -0.336 174.231 174.600 -0.055 0.000 1.118 62 S CA -0.755 57.440 58.200 -0.009 0.000 1.074 62 S CB 2.057 65.240 63.200 -0.029 0.000 1.038 62 S HN 0.406 nan 8.310 nan 0.000 0.498 63 V N 1.574 121.461 119.914 -0.045 0.000 2.630 63 V HA 1.009 5.131 4.120 0.003 0.000 0.305 63 V C 0.496 176.611 176.094 0.035 0.000 1.046 63 V CA -0.675 61.584 62.300 -0.067 0.000 0.934 63 V CB 1.058 32.750 31.823 -0.220 0.000 1.003 63 V HN 1.159 nan 8.190 nan 0.000 0.451 64 R N 2.563 123.125 120.500 0.103 0.000 2.733 64 R HA 0.869 5.210 4.340 0.003 0.000 0.272 64 R C -1.866 174.594 176.300 0.267 0.000 1.029 64 R CA -0.613 55.590 56.100 0.172 0.000 0.888 64 R CB 0.880 31.210 30.300 0.050 0.000 1.251 64 R HN 0.668 nan 8.270 nan 0.000 0.464 65 L N 1.970 123.321 121.223 0.212 0.000 2.331 65 L HA 0.478 4.820 4.340 0.003 0.000 0.275 65 L C 0.787 177.695 176.870 0.063 0.000 1.022 65 L CA -1.120 53.806 54.840 0.143 0.000 0.812 65 L CB 2.222 44.297 42.059 0.027 0.000 1.257 65 L HN 0.962 nan 8.230 nan 0.000 0.435 66 Q N 1.727 121.535 119.800 0.013 0.000 2.311 66 Q HA 0.136 4.477 4.340 0.003 0.000 0.272 66 Q C -1.004 174.998 176.000 0.005 0.000 1.012 66 Q CA -0.102 55.711 55.803 0.016 0.000 0.891 66 Q CB 0.624 29.359 28.738 -0.005 0.000 1.201 66 Q HN 0.466 nan 8.270 nan 0.000 0.391 67 E N 2.103 122.329 120.200 0.044 0.000 2.249 67 E HA 0.178 4.530 4.350 0.003 0.000 0.280 67 E C -0.744 175.874 176.600 0.029 0.000 1.016 67 E CA -0.929 55.495 56.400 0.040 0.000 0.830 67 E CB 0.951 30.698 29.700 0.078 0.000 1.081 67 E HN 0.422 nan 8.360 nan 0.000 0.395 68 R N 3.224 123.728 120.500 0.006 0.000 2.474 68 R HA -0.005 4.337 4.340 0.003 0.000 0.339 68 R C -0.372 175.938 176.300 0.016 0.000 1.033 68 R CA 0.598 56.697 56.100 -0.001 0.000 0.997 68 R CB -0.415 29.876 30.300 -0.015 0.000 0.963 68 R HN 0.655 nan 8.270 nan 0.000 0.438 69 L N 2.621 123.856 121.223 0.021 0.000 2.781 69 L HA 0.440 4.781 4.340 0.003 0.000 0.245 69 L C 1.024 177.891 176.870 -0.005 0.000 1.118 69 L CA 0.314 55.168 54.840 0.023 0.000 0.918 69 L CB 0.865 42.961 42.059 0.062 0.000 1.246 69 L HN 0.756 nan 8.230 nan 0.000 0.526 70 G N -1.273 107.521 108.800 -0.010 0.000 2.730 70 G HA2 0.384 4.346 3.960 0.003 0.000 0.289 70 G HA3 0.384 4.346 3.960 0.003 0.000 0.289 70 G C 0.360 175.248 174.900 -0.020 0.000 1.341 70 G CA 0.348 45.436 45.100 -0.021 0.000 0.932 70 G HN -0.045 nan 8.290 nan 0.000 0.481 71 T N -1.646 112.895 114.554 -0.020 0.000 3.188 71 T HA 0.392 4.744 4.350 0.003 0.000 0.250 71 T C 0.417 175.108 174.700 -0.014 0.000 1.077 71 T CA 0.170 62.260 62.100 -0.016 0.000 0.967 71 T CB -0.240 68.619 68.868 -0.015 0.000 1.006 71 T HN 0.096 nan 8.240 nan 0.000 0.552 72 L N 0.702 121.915 121.223 -0.018 0.000 2.235 72 L HA 0.553 4.894 4.340 0.003 0.000 0.260 72 L C 0.413 177.272 176.870 -0.019 0.000 1.025 72 L CA -1.618 53.213 54.840 -0.015 0.000 0.836 72 L CB 1.355 43.404 42.059 -0.017 0.000 1.395 72 L HN 0.155 nan 8.230 nan 0.000 0.443 73 R N 2.215 122.706 120.500 -0.015 0.000 2.538 73 R HA 0.000 4.342 4.340 0.003 0.000 0.273 73 R C -2.267 174.008 176.300 -0.042 0.000 0.967 73 R CA -0.606 55.481 56.100 -0.022 0.000 1.101 73 R CB 0.150 30.437 30.300 -0.022 0.000 0.908 73 R HN 0.267 nan 8.270 nan 0.000 0.411 74 P HA 0.239 nan 4.420 nan 0.000 0.291 74 P C -0.830 176.467 177.300 -0.006 0.000 1.340 74 P CA -0.148 62.944 63.100 -0.014 0.000 0.799 74 P CB 1.666 33.368 31.700 0.002 0.000 0.917 75 G N 2.746 111.476 108.800 -0.116 0.000 2.871 75 G HA2 0.157 4.118 3.960 0.003 0.000 0.282 75 G HA3 0.157 4.118 3.960 0.003 0.000 0.282 75 G C 0.591 175.317 174.900 -0.290 0.000 1.212 75 G CA -0.442 44.490 45.100 -0.280 0.000 0.812 75 G HN 0.271 nan 8.290 nan 0.000 0.547 76 K N -0.321 119.782 120.400 -0.495 0.000 2.144 76 K HA -0.159 4.163 4.320 0.003 0.000 0.209 76 K C 2.288 178.765 176.600 -0.206 0.000 1.047 76 K CA 2.285 58.364 56.287 -0.348 0.000 0.927 76 K CB -0.823 31.422 32.500 -0.425 0.000 0.716 76 K HN 0.459 nan 8.250 nan 0.000 0.454 77 G N 0.989 109.666 108.800 -0.205 0.000 2.418 77 G HA2 -0.259 3.703 3.960 0.003 0.000 0.217 77 G HA3 -0.259 3.703 3.960 0.003 0.000 0.217 77 G C 1.148 176.006 174.900 -0.070 0.000 1.158 77 G CA 1.001 46.007 45.100 -0.157 0.000 0.771 77 G HN 0.321 nan 8.290 nan 0.000 0.545 78 D N 0.702 121.071 120.400 -0.052 0.000 2.097 78 D HA -0.078 4.564 4.640 0.003 0.000 0.195 78 D C 2.698 179.021 176.300 0.039 0.000 0.989 78 D CA 1.316 55.318 54.000 0.004 0.000 0.827 78 D CB -0.841 39.955 40.800 -0.007 0.000 0.966 78 D HN 0.279 nan 8.370 nan 0.000 0.456 79 G N 0.474 109.280 108.800 0.010 0.000 2.469 79 G HA2 -0.286 3.676 3.960 0.003 0.000 0.219 79 G HA3 -0.286 3.676 3.960 0.003 0.000 0.219 79 G C 1.659 176.634 174.900 0.125 0.000 1.150 79 G CA 0.890 46.019 45.100 0.049 0.000 0.763 79 G HN 0.242 nan 8.290 nan 0.000 0.561 80 M N -0.045 119.606 119.600 0.084 0.000 2.287 80 M HA 0.083 4.564 4.480 0.003 0.000 0.266 80 M C 2.264 178.738 176.300 0.290 0.000 1.079 80 M CA 0.495 55.877 55.300 0.138 0.000 1.146 80 M CB -0.120 32.391 32.600 -0.149 0.000 1.374 80 M HN 0.070 nan 8.290 nan 0.000 0.435 81 N N 0.108 118.951 118.700 0.238 0.000 2.289 81 N HA -0.131 4.611 4.740 0.003 0.000 0.184 81 N C 1.868 177.595 175.510 0.362 0.000 1.016 81 N CA 1.968 55.219 53.050 0.335 0.000 0.872 81 N CB -0.411 38.220 38.487 0.240 0.000 0.973 81 N HN 0.423 nan 8.380 nan 0.000 0.433 82 T N -0.903 113.811 114.554 0.268 0.000 2.896 82 T HA 0.110 4.462 4.350 0.003 0.000 0.263 82 T C 1.983 176.844 174.700 0.268 0.000 1.050 82 T CA 1.112 63.362 62.100 0.251 0.000 1.140 82 T CB -0.160 68.817 68.868 0.181 0.000 0.877 82 T HN 0.113 nan 8.240 nan 0.000 0.457 83 A N 1.411 124.406 122.820 0.291 0.000 1.948 83 A HA 0.053 4.374 4.320 0.003 0.000 0.220 83 A C 2.311 180.103 177.584 0.348 0.000 1.177 83 A CA 1.620 53.844 52.037 0.313 0.000 0.636 83 A CB -1.034 18.178 19.000 0.354 0.000 0.815 83 A HN 0.503 nan 8.150 nan 0.000 0.449 84 L N -0.470 120.975 121.223 0.370 0.000 2.046 84 L HA -0.180 4.161 4.340 0.003 0.000 0.208 84 L C 3.200 180.102 176.870 0.053 0.000 1.077 84 L CA 2.428 57.444 54.840 0.293 0.000 0.747 84 L CB -0.949 41.326 42.059 0.359 0.000 0.896 84 L HN 0.527 nan 8.230 nan 0.000 0.432 85 R N -1.426 119.043 120.500 -0.052 0.000 2.062 85 R HA -0.205 4.137 4.340 0.003 0.000 0.229 85 R C 2.223 178.500 176.300 -0.039 0.000 1.128 85 R CA 1.679 57.603 56.100 -0.293 0.000 0.960 85 R CB -1.997 28.275 30.300 -0.047 0.000 0.855 85 R HN 0.524 nan 8.270 nan 0.000 0.432 86 Y N 0.214 120.529 120.300 0.025 0.000 2.114 86 Y HA -0.262 4.289 4.550 0.002 0.000 0.282 86 Y C 2.137 178.084 175.900 0.079 0.000 1.165 86 Y CA 2.409 60.547 58.100 0.062 0.000 1.148 86 Y CB -0.544 37.986 38.460 0.117 0.000 0.972 86 Y HN 0.333 nan 8.280 nan 0.000 0.504 87 F N 0.274 120.308 119.950 0.141 0.000 2.095 87 F HA -0.267 4.262 4.527 0.003 0.000 0.298 87 F C 1.812 177.555 175.800 -0.096 0.000 1.104 87 F CA 2.093 60.134 58.000 0.068 0.000 1.232 87 F CB -0.689 38.376 39.000 0.107 0.000 0.987 87 F HN 0.077 nan 8.300 nan 0.000 0.475 88 L N -0.572 120.514 121.223 -0.229 0.000 2.209 88 L HA -0.047 4.295 4.340 0.003 0.000 0.207 88 L C 2.148 178.818 176.870 -0.332 0.000 1.094 88 L CA 1.192 55.808 54.840 -0.373 0.000 0.790 88 L CB -0.429 41.476 42.059 -0.257 0.000 0.932 88 L HN 0.132 nan 8.230 nan 0.000 0.447 89 E N -0.576 119.450 120.200 -0.291 0.000 2.307 89 E HA -0.022 4.329 4.350 0.003 0.000 0.195 89 E C 1.033 177.460 176.600 -0.288 0.000 0.975 89 E CA 0.318 56.574 56.400 -0.239 0.000 0.878 89 E CB 0.483 30.088 29.700 -0.159 0.000 0.845 89 E HN 0.408 nan 8.360 nan 0.000 0.488 90 E N 0.252 120.200 120.200 -0.420 0.000 2.630 90 E HA 0.061 4.413 4.350 0.003 0.000 0.218 90 E C -0.102 176.152 176.600 -0.576 0.000 0.977 90 E CA 0.074 56.175 56.400 -0.499 0.000 1.038 90 E CB 1.378 30.688 29.700 -0.650 0.000 1.051 90 E HN 0.046 nan 8.360 nan 0.000 0.487 91 T N -2.518 111.688 114.554 -0.581 0.000 2.843 91 T HA 0.221 4.572 4.350 0.003 0.000 0.302 91 T C 0.003 174.268 174.700 -0.724 0.000 1.232 91 T CA -0.721 60.950 62.100 -0.714 0.000 1.009 91 T CB 2.047 70.499 68.868 -0.693 0.000 1.254 91 T HN -0.287 nan 8.240 nan 0.000 0.504 92 Q N 0.011 119.269 119.800 -0.903 0.000 2.247 92 Q HA 0.211 4.553 4.340 0.003 0.000 0.211 92 Q C -0.352 175.415 176.000 -0.389 0.000 0.861 92 Q CA -0.214 55.232 55.803 -0.596 0.000 0.949 92 Q CB 0.145 28.603 28.738 -0.467 0.000 1.115 92 Q HN 0.736 nan 8.270 nan 0.000 0.507 93 W N 1.533 122.774 121.300 -0.099 0.000 2.274 93 W HA -0.040 4.622 4.660 0.002 0.000 0.345 93 W C 1.561 178.162 176.519 0.137 0.000 1.265 93 W CA -0.499 56.915 57.345 0.115 0.000 1.293 93 W CB 0.775 30.443 29.460 0.347 0.000 1.175 93 W HN 0.017 nan 8.180 nan 0.000 0.577 94 E N 1.167 121.682 120.200 0.525 0.000 2.122 94 E HA 0.011 4.363 4.350 0.003 0.000 0.190 94 E C 0.381 177.258 176.600 0.463 0.000 0.977 94 E CA 1.032 57.654 56.400 0.370 0.000 0.820 94 E CB 0.151 30.018 29.700 0.279 0.000 0.770 94 E HN 0.449 nan 8.360 nan 0.000 0.462 95 R N -0.150 120.639 120.500 0.482 0.000 2.725 95 R HA 0.579 4.920 4.340 0.003 0.000 0.277 95 R C -0.696 175.636 176.300 0.052 0.000 0.987 95 R CA -0.503 55.740 56.100 0.239 0.000 0.901 95 R CB 2.538 32.920 30.300 0.136 0.000 1.207 95 R HN -0.053 nan 8.270 nan 0.000 0.463 96 I N 1.902 122.254 120.570 -0.362 0.000 2.466 96 I HA 0.365 4.537 4.170 0.003 0.000 0.289 96 I C -0.753 175.108 176.117 -0.427 0.000 1.026 96 I CA -0.583 60.359 61.300 -0.597 0.000 1.078 96 I CB 1.158 38.332 38.000 -1.377 0.000 1.249 96 I HN 0.647 nan 8.210 nan 0.000 0.429 97 H N 6.847 125.636 119.070 -0.469 0.000 2.467 97 H HA 0.369 4.927 4.556 0.003 0.000 0.331 97 H C -1.402 173.441 175.328 -0.808 0.000 1.120 97 H CA -0.355 55.398 56.048 -0.491 0.000 1.270 97 H CB 1.637 31.213 29.762 -0.309 0.000 1.466 97 H HN 0.394 nan 8.280 nan 0.000 0.504 98 F N 1.882 121.548 119.950 -0.472 0.000 2.482 98 F HA 0.293 4.821 4.527 0.003 0.000 0.331 98 F C -0.745 174.604 175.800 -0.751 0.000 1.115 98 F CA -0.621 57.110 58.000 -0.448 0.000 0.955 98 F CB 1.091 39.980 39.000 -0.184 0.000 1.136 98 F HN 0.406 nan 8.300 nan 0.000 0.452 99 Y N 0.943 121.222 120.300 -0.035 0.000 2.442 99 Y HA 0.322 4.874 4.550 0.003 0.000 0.344 99 Y C -0.265 175.693 175.900 0.097 0.000 0.976 99 Y CA -1.589 56.504 58.100 -0.011 0.000 1.040 99 Y CB 1.151 39.474 38.460 -0.228 0.000 1.228 99 Y HN 0.448 nan 8.280 nan 0.000 0.451 100 D N 1.146 121.723 120.400 0.295 0.000 2.472 100 D HA 0.164 4.805 4.640 0.003 0.000 0.237 100 D C 0.809 177.245 176.300 0.226 0.000 1.141 100 D CA 0.435 54.579 54.000 0.239 0.000 0.875 100 D CB 1.394 42.303 40.800 0.183 0.000 1.192 100 D HN 0.767 nan 8.370 nan 0.000 0.450 101 A N 2.327 125.270 122.820 0.206 0.000 2.119 101 A HA -0.112 4.210 4.320 0.003 0.000 0.216 101 A C 1.082 178.646 177.584 -0.033 0.000 1.152 101 A CA 0.771 52.858 52.037 0.082 0.000 0.708 101 A CB -0.020 19.052 19.000 0.121 0.000 0.805 101 A HN 0.558 nan 8.150 nan 0.000 0.460 102 D N -0.519 119.893 120.400 0.020 0.000 2.388 102 D HA 0.168 4.810 4.640 0.003 0.000 0.221 102 D C 0.107 176.404 176.300 -0.005 0.000 1.133 102 D CA -0.357 53.651 54.000 0.013 0.000 0.831 102 D CB -0.558 40.275 40.800 0.054 0.000 0.962 102 D HN 0.404 nan 8.370 nan 0.000 0.502 103 I N 1.418 121.955 120.570 -0.054 0.000 2.496 103 I HA 0.047 4.218 4.170 0.003 0.000 0.285 103 I C 1.531 177.612 176.117 -0.060 0.000 1.080 103 I CA 0.093 61.357 61.300 -0.060 0.000 1.404 103 I CB 1.377 39.282 38.000 -0.159 0.000 1.403 103 I HN -0.035 nan 8.210 nan 0.000 0.539 104 T N -1.393 113.166 114.554 0.010 0.000 3.023 104 T HA 0.035 4.387 4.350 0.003 0.000 0.253 104 T C 1.027 175.769 174.700 0.070 0.000 1.038 104 T CA 0.314 62.440 62.100 0.043 0.000 0.962 104 T CB 0.048 68.947 68.868 0.052 0.000 1.018 104 T HN 0.630 nan 8.240 nan 0.000 0.521 105 S N 0.126 115.877 115.700 0.084 0.000 2.578 105 S HA 0.385 4.856 4.470 0.003 0.000 0.231 105 S C -0.001 174.654 174.600 0.091 0.000 0.994 105 S CA -0.847 57.446 58.200 0.155 0.000 0.956 105 S CB -0.693 62.672 63.200 0.276 0.000 0.870 105 S HN 0.370 nan 8.310 nan 0.000 0.494 106 F N 3.041 122.717 119.950 -0.457 0.000 2.553 106 F HA 0.526 5.054 4.527 0.003 0.000 0.356 106 F C 0.802 176.210 175.800 -0.653 0.000 1.142 106 F CA 0.721 58.069 58.000 -1.087 0.000 1.322 106 F CB 0.265 38.670 39.000 -0.991 0.000 1.126 106 F HN 0.321 nan 8.300 nan 0.000 0.599 107 G N 4.432 112.421 108.800 -1.353 0.000 2.608 107 G HA2 0.397 4.358 3.960 0.003 0.000 0.291 107 G HA3 0.397 4.358 3.960 0.003 0.000 0.291 107 G C -2.771 171.699 174.900 -0.716 0.000 1.425 107 G CA -0.909 43.776 45.100 -0.691 0.000 0.787 107 G HN 0.283 nan 8.290 nan 0.000 0.484 108 P HA 0.016 nan 4.420 nan 0.000 0.220 108 P C 0.948 178.267 177.300 0.032 0.000 1.148 108 P CA 0.936 63.984 63.100 -0.086 0.000 0.803 108 P CB 0.294 32.052 31.700 0.096 0.000 0.782 109 D N -1.204 119.245 120.400 0.081 0.000 2.149 109 D HA -0.173 4.468 4.640 0.003 0.000 0.198 109 D C 1.669 178.092 176.300 0.205 0.000 0.990 109 D CA 1.001 55.092 54.000 0.152 0.000 0.839 109 D CB -0.780 40.106 40.800 0.143 0.000 0.948 109 D HN 0.203 nan 8.370 nan 0.000 0.460 110 W N 1.089 122.307 121.300 -0.138 0.000 2.321 110 W HA -0.081 4.581 4.660 0.003 0.000 0.306 110 W C 2.444 179.055 176.519 0.153 0.000 1.217 110 W CA 0.374 57.725 57.345 0.010 0.000 1.257 110 W CB -1.000 28.322 29.460 -0.231 0.000 1.145 110 W HN 0.013 nan 8.180 nan 0.000 0.509 111 I N -0.843 119.821 120.570 0.157 0.000 2.233 111 I HA -0.249 3.923 4.170 0.003 0.000 0.243 111 I C 2.316 178.487 176.117 0.090 0.000 1.093 111 I CA 1.625 62.967 61.300 0.069 0.000 1.380 111 I CB -1.166 36.492 38.000 -0.570 0.000 1.067 111 I HN -0.141 nan 8.210 nan 0.000 0.413 112 T N 1.069 115.677 114.554 0.090 0.000 2.624 112 T HA -0.272 4.080 4.350 0.003 0.000 0.268 112 T C 1.886 176.682 174.700 0.160 0.000 1.041 112 T CA 1.715 63.945 62.100 0.215 0.000 1.159 112 T CB -0.329 68.687 68.868 0.246 0.000 0.863 112 T HN 0.291 nan 8.240 nan 0.000 0.434 113 K N 0.986 121.471 120.400 0.141 0.000 2.097 113 K HA 0.021 4.343 4.320 0.003 0.000 0.206 113 K C 2.671 179.314 176.600 0.072 0.000 1.049 113 K CA 1.194 57.532 56.287 0.084 0.000 0.933 113 K CB -0.300 32.224 32.500 0.041 0.000 0.717 113 K HN 0.327 nan 8.250 nan 0.000 0.442 114 A N 1.489 124.390 122.820 0.135 0.000 1.898 114 A HA -0.161 4.161 4.320 0.003 0.000 0.216 114 A C 1.974 179.609 177.584 0.086 0.000 1.181 114 A CA 1.260 53.353 52.037 0.094 0.000 0.620 114 A CB -0.217 18.918 19.000 0.225 0.000 0.819 114 A HN 0.145 nan 8.150 nan 0.000 0.442 115 E N 0.167 120.460 120.200 0.155 0.000 2.051 115 E HA -0.192 4.160 4.350 0.003 0.000 0.192 115 E C 1.934 178.603 176.600 0.115 0.000 0.991 115 E CA 1.455 57.942 56.400 0.144 0.000 0.799 115 E CB -0.387 29.425 29.700 0.186 0.000 0.748 115 E HN 0.759 nan 8.360 nan 0.000 0.449 116 E N 0.572 120.835 120.200 0.106 0.000 2.110 116 E HA -0.150 4.202 4.350 0.003 0.000 0.193 116 E C 1.969 178.619 176.600 0.082 0.000 0.988 116 E CA 0.949 57.402 56.400 0.089 0.000 0.804 116 E CB -0.072 29.669 29.700 0.067 0.000 0.745 116 E HN 0.187 nan 8.360 nan 0.000 0.458 117 A N 1.310 124.152 122.820 0.037 0.000 1.930 117 A HA -0.031 4.290 4.320 0.003 0.000 0.217 117 A C 2.357 180.079 177.584 0.231 0.000 1.175 117 A CA 1.401 53.450 52.037 0.020 0.000 0.627 117 A CB -0.465 18.446 19.000 -0.149 0.000 0.815 117 A HN 0.286 nan 8.150 nan 0.000 0.443 118 A N 0.422 123.340 122.820 0.162 0.000 1.877 118 A HA -0.192 4.130 4.320 0.003 0.000 0.216 118 A C 1.735 179.399 177.584 0.133 0.000 1.186 118 A CA 1.863 53.994 52.037 0.157 0.000 0.620 118 A CB -0.675 18.384 19.000 0.098 0.000 0.822 118 A HN 0.442 nan 8.150 nan 0.000 0.443 119 D N -0.897 119.577 120.400 0.124 0.000 2.149 119 D HA -0.197 4.444 4.640 0.003 0.000 0.194 119 D C 1.508 177.862 176.300 0.090 0.000 1.001 119 D CA 1.393 55.453 54.000 0.099 0.000 0.849 119 D CB -0.517 40.344 40.800 0.102 0.000 0.939 119 D HN 0.497 nan 8.370 nan 0.000 0.449 120 F N -0.081 119.856 119.950 -0.021 0.000 2.333 120 F HA 0.026 4.554 4.527 0.003 0.000 0.300 120 F C 1.690 177.387 175.800 -0.172 0.000 1.083 120 F CA 1.587 59.541 58.000 -0.077 0.000 1.395 120 F CB 0.341 39.306 39.000 -0.059 0.000 1.056 120 F HN 0.121 nan 8.300 nan 0.000 0.529 121 G N -1.983 106.785 108.800 -0.053 0.000 2.227 121 G HA2 -0.221 3.740 3.960 0.003 0.000 0.168 121 G HA3 -0.221 3.740 3.960 0.003 0.000 0.168 121 G C -0.215 174.589 174.900 -0.160 0.000 1.006 121 G CA -0.349 44.646 45.100 -0.176 0.000 0.684 121 G HN 0.216 nan 8.290 nan 0.000 0.489 122 Y N 0.832 121.190 120.300 0.097 0.000 2.346 122 Y HA 0.446 4.997 4.550 0.003 0.000 0.330 122 Y C 1.815 177.751 175.900 0.059 0.000 1.178 122 Y CA 1.117 59.273 58.100 0.093 0.000 1.331 122 Y CB 1.467 40.002 38.460 0.125 0.000 1.253 122 Y HN 0.046 nan 8.280 nan 0.000 0.529 123 G N 2.110 111.032 108.800 0.204 0.000 2.494 123 G HA2 0.079 4.040 3.960 0.003 0.000 0.216 123 G HA3 0.079 4.040 3.960 0.003 0.000 0.216 123 G C -0.431 174.530 174.900 0.102 0.000 1.140 123 G CA 0.313 45.484 45.100 0.118 0.000 0.801 123 G HN 0.423 nan 8.290 nan 0.000 0.536 124 L N 0.633 121.935 121.223 0.131 0.000 2.464 124 L HA 0.644 4.986 4.340 0.003 0.000 0.266 124 L C -1.244 175.674 176.870 0.080 0.000 0.965 124 L CA -0.800 54.083 54.840 0.071 0.000 0.833 124 L CB 2.580 44.660 42.059 0.035 0.000 1.296 124 L HN -0.151 nan 8.230 nan 0.000 0.405 125 V N 5.070 125.009 119.914 0.042 0.000 2.384 125 V HA 0.616 4.737 4.120 0.003 0.000 0.287 125 V C -0.142 175.964 176.094 0.021 0.000 1.020 125 V CA -0.607 61.703 62.300 0.016 0.000 0.850 125 V CB 1.530 33.351 31.823 -0.003 0.000 0.987 125 V HN 0.713 nan 8.190 nan 0.000 0.436 126 R N 3.308 123.810 120.500 0.002 0.000 2.532 126 R HA 0.582 4.923 4.340 0.003 0.000 0.295 126 R C -0.650 175.668 176.300 0.030 0.000 0.968 126 R CA -0.737 55.411 56.100 0.079 0.000 0.916 126 R CB 1.580 31.913 30.300 0.056 0.000 1.124 126 R HN 0.738 nan 8.270 nan 0.000 0.463 127 H N 2.227 121.301 119.070 0.006 0.000 2.467 127 H HA 0.219 4.777 4.556 0.003 0.000 0.331 127 H C -0.751 174.395 175.328 -0.302 0.000 1.120 127 H CA -0.500 55.429 56.048 -0.198 0.000 1.270 127 H CB 1.529 31.145 29.762 -0.244 0.000 1.466 127 H HN 0.595 nan 8.280 nan 0.000 0.504 128 Y N 0.610 120.539 120.300 -0.618 0.000 2.581 128 Y HA 0.614 5.166 4.550 0.003 0.000 0.345 128 Y C -2.055 173.309 175.900 -0.894 0.000 1.036 128 Y CA -1.603 56.171 58.100 -0.544 0.000 1.042 128 Y CB 1.132 39.515 38.460 -0.127 0.000 1.289 128 Y HN 0.317 nan 8.280 nan 0.000 0.471 129 F N 1.617 121.522 119.950 -0.075 0.000 2.588 129 F HA 0.690 5.219 4.527 0.003 0.000 0.314 129 F C -2.492 173.307 175.800 -0.000 0.000 1.069 129 F CA -2.529 55.318 58.000 -0.255 0.000 0.931 129 F CB 2.042 40.982 39.000 -0.101 0.000 1.260 129 F HN 0.329 nan 8.300 nan 0.000 0.465 130 P HA 0.294 nan 4.420 nan 0.000 0.271 130 P C -1.053 176.417 177.300 0.282 0.000 1.216 130 P CA -0.187 63.094 63.100 0.303 0.000 0.776 130 P CB 1.090 32.923 31.700 0.221 0.000 0.881 131 R N 0.926 121.636 120.500 0.351 0.000 2.837 131 R HA 0.696 5.037 4.340 0.003 0.000 0.271 131 R C -0.373 176.147 176.300 0.366 0.000 0.993 131 R CA -0.975 55.308 56.100 0.304 0.000 0.931 131 R CB 2.197 32.680 30.300 0.304 0.000 1.206 131 R HN 0.521 nan 8.270 nan 0.000 0.474 132 A N 0.464 123.452 122.820 0.280 0.000 2.332 132 A HA 0.169 4.491 4.320 0.003 0.000 0.258 132 A C 1.148 178.886 177.584 0.256 0.000 1.087 132 A CA 0.074 52.304 52.037 0.323 0.000 0.802 132 A CB 0.490 19.608 19.000 0.197 0.000 1.042 132 A HN 0.912 nan 8.150 nan 0.000 0.489 133 S N -0.032 115.792 115.700 0.207 0.000 2.440 133 S HA -0.159 4.313 4.470 0.003 0.000 0.238 133 S C 1.180 175.901 174.600 0.201 0.000 1.010 133 S CA 1.810 60.051 58.200 0.068 0.000 0.972 133 S CB -0.789 62.396 63.200 -0.024 0.000 0.774 133 S HN 1.254 nan 8.310 nan 0.000 0.501 134 T N -2.095 112.574 114.554 0.191 0.000 3.092 134 T HA 0.299 4.651 4.350 0.003 0.000 0.258 134 T C -0.156 174.674 174.700 0.218 0.000 1.031 134 T CA -0.569 61.678 62.100 0.244 0.000 0.925 134 T CB -0.048 68.944 68.868 0.206 0.000 1.036 134 T HN 0.104 nan 8.240 nan 0.000 0.544 135 D N 1.423 121.936 120.400 0.188 0.000 2.348 135 D HA 0.579 5.221 4.640 0.003 0.000 0.249 135 D C 0.897 177.312 176.300 0.192 0.000 1.110 135 D CA 0.435 54.543 54.000 0.179 0.000 0.967 135 D CB 1.254 42.162 40.800 0.180 0.000 1.139 135 D HN 0.305 nan 8.370 nan 0.000 0.466 136 A N 1.267 124.196 122.820 0.180 0.000 2.925 136 A HA -0.205 4.116 4.320 0.003 0.000 0.265 136 A C 1.440 179.175 177.584 0.251 0.000 1.419 136 A CA 0.707 52.863 52.037 0.200 0.000 0.807 136 A CB -1.746 17.410 19.000 0.260 0.000 1.043 136 A HN 0.454 nan 8.150 nan 0.000 0.600 137 M N -1.169 118.558 119.600 0.211 0.000 2.476 137 M HA 0.029 4.511 4.480 0.003 0.000 0.262 137 M C 1.960 178.532 176.300 0.454 0.000 1.079 137 M CA 1.534 56.957 55.300 0.206 0.000 1.104 137 M CB -0.854 31.712 32.600 -0.058 0.000 1.409 137 M HN 0.722 nan 8.290 nan 0.000 0.467 138 I N -0.580 120.202 120.570 0.354 0.000 2.235 138 I HA -0.203 3.969 4.170 0.003 0.000 0.241 138 I C 2.292 178.439 176.117 0.051 0.000 1.085 138 I CA 1.067 62.438 61.300 0.119 0.000 1.378 138 I CB -0.826 37.086 38.000 -0.147 0.000 1.076 138 I HN 0.191 nan 8.210 nan 0.000 0.415 139 T N 0.209 114.754 114.554 -0.015 0.000 2.620 139 T HA -0.268 4.084 4.350 0.003 0.000 0.267 139 T C 1.435 176.016 174.700 -0.198 0.000 1.044 139 T CA 2.227 64.233 62.100 -0.156 0.000 1.161 139 T CB -0.438 68.290 68.868 -0.233 0.000 0.862 139 T HN 0.392 nan 8.240 nan 0.000 0.438 140 W N 0.161 121.444 121.300 -0.027 0.000 2.480 140 W HA 0.174 4.835 4.660 0.003 0.000 0.299 140 W C 2.373 178.909 176.519 0.028 0.000 1.187 140 W CA 0.185 57.489 57.345 -0.068 0.000 1.347 140 W CB -0.147 29.197 29.460 -0.194 0.000 1.121 140 W HN 0.110 nan 8.180 nan 0.000 0.533 141 M N -0.740 119.060 119.600 0.333 0.000 2.514 141 M HA 0.042 4.524 4.480 0.003 0.000 0.258 141 M C 1.374 178.082 176.300 0.681 0.000 1.119 141 M CA 0.962 56.513 55.300 0.419 0.000 1.111 141 M CB -0.652 32.027 32.600 0.132 0.000 1.390 141 M HN 0.023 nan 8.290 nan 0.000 0.475 142 I N -1.049 119.778 120.570 0.427 0.000 3.132 142 I HA 0.005 4.177 4.170 0.003 0.000 0.255 142 I C 1.990 178.205 176.117 0.163 0.000 1.118 142 I CA 1.096 62.640 61.300 0.408 0.000 1.463 142 I CB -1.226 36.874 38.000 0.166 0.000 1.356 142 I HN 0.131 nan 8.210 nan 0.000 0.463 143 T N 1.525 116.036 114.554 -0.071 0.000 2.706 143 T HA -0.013 4.339 4.350 0.003 0.000 0.255 143 T C 2.028 176.446 174.700 -0.470 0.000 1.048 143 T CA 0.961 62.829 62.100 -0.387 0.000 1.153 143 T CB -0.205 68.421 68.868 -0.403 0.000 0.865 143 T HN 0.164 nan 8.240 nan 0.000 0.414 144 R N 0.766 121.112 120.500 -0.257 0.000 2.091 144 R HA -0.062 4.279 4.340 0.003 0.000 0.238 144 R C 2.745 179.043 176.300 -0.004 0.000 1.136 144 R CA 1.578 57.607 56.100 -0.118 0.000 0.959 144 R CB -0.847 29.286 30.300 -0.279 0.000 0.856 144 R HN 0.305 nan 8.270 nan 0.000 0.437 145 T N 0.038 114.608 114.554 0.026 0.000 2.746 145 T HA -0.112 4.240 4.350 0.003 0.000 0.267 145 T C 1.864 176.383 174.700 -0.302 0.000 1.039 145 T CA 1.569 63.675 62.100 0.011 0.000 1.142 145 T CB -0.451 68.500 68.868 0.137 0.000 0.866 145 T HN 0.553 nan 8.240 nan 0.000 0.444 146 G N 0.784 109.372 108.800 -0.354 0.000 2.421 146 G HA2 -0.144 3.818 3.960 0.003 0.000 0.216 146 G HA3 -0.144 3.818 3.960 0.003 0.000 0.216 146 G C 1.265 176.181 174.900 0.028 0.000 1.171 146 G CA 0.359 45.252 45.100 -0.344 0.000 0.775 146 G HN 0.365 nan 8.290 nan 0.000 0.543 147 F N 2.008 122.035 119.950 0.128 0.000 2.120 147 F HA -0.100 4.429 4.527 0.003 0.000 0.300 147 F C 3.044 178.960 175.800 0.194 0.000 1.095 147 F CA 0.530 58.725 58.000 0.325 0.000 1.249 147 F CB -1.047 38.082 39.000 0.215 0.000 0.995 147 F HN 0.276 nan 8.300 nan 0.000 0.480 148 A N -0.346 122.615 122.820 0.235 0.000 1.929 148 A HA -0.065 4.256 4.320 0.003 0.000 0.216 148 A C 2.293 179.898 177.584 0.034 0.000 1.176 148 A CA 1.111 53.225 52.037 0.128 0.000 0.628 148 A CB -0.929 18.136 19.000 0.107 0.000 0.816 148 A HN 0.384 nan 8.150 nan 0.000 0.444 149 L N -1.155 120.002 121.223 -0.110 0.000 2.313 149 L HA 0.038 4.379 4.340 0.003 0.000 0.214 149 L C 2.202 178.958 176.870 -0.191 0.000 1.119 149 L CA 0.473 55.196 54.840 -0.195 0.000 0.809 149 L CB -0.146 41.646 42.059 -0.445 0.000 0.933 149 L HN 0.338 nan 8.230 nan 0.000 0.449 150 L N -2.197 118.863 121.223 -0.270 0.000 2.388 150 L HA 0.053 4.395 4.340 0.003 0.000 0.209 150 L C 0.475 176.877 176.870 -0.781 0.000 1.061 150 L CA 0.202 54.632 54.840 -0.683 0.000 0.834 150 L CB 0.268 41.562 42.059 -1.276 0.000 1.029 150 L HN 0.296 nan 8.230 nan 0.000 0.473 151 W N 0.795 122.163 121.300 0.113 0.000 1.759 151 W HA 0.300 4.962 4.660 0.003 0.000 0.291 151 W C -1.916 174.653 176.519 0.083 0.000 0.855 151 W CA -1.390 56.019 57.345 0.106 0.000 2.167 151 W CB -0.063 29.456 29.460 0.098 0.000 2.351 151 W HN -0.016 nan 8.180 nan 0.000 0.423 152 P HA -0.199 nan 4.420 nan 0.000 0.220 152 P C 1.043 178.358 177.300 0.026 0.000 1.148 152 P CA 1.652 64.775 63.100 0.038 0.000 0.803 152 P CB 0.258 31.886 31.700 -0.120 0.000 0.782 153 H N -0.536 118.657 119.070 0.204 0.000 2.548 153 H HA 0.102 4.659 4.556 0.003 0.000 0.265 153 H C 1.143 176.574 175.328 0.172 0.000 0.969 153 H CA 0.827 56.980 56.048 0.175 0.000 1.155 153 H CB -0.044 29.791 29.762 0.123 0.000 1.394 153 H HN 0.259 nan 8.280 nan 0.000 0.570 154 T N -1.909 112.813 114.554 0.280 0.000 2.884 154 T HA 0.137 4.489 4.350 0.003 0.000 0.277 154 T C 1.251 176.076 174.700 0.209 0.000 0.976 154 T CA -0.692 61.512 62.100 0.172 0.000 0.956 154 T CB 2.066 70.975 68.868 0.068 0.000 1.113 154 T HN -0.114 nan 8.240 nan 0.000 0.554 155 E N -0.340 119.911 120.200 0.086 0.000 2.418 155 E HA 0.090 4.441 4.350 0.003 0.000 0.197 155 E C 1.783 178.442 176.600 0.098 0.000 1.026 155 E CA 0.476 56.949 56.400 0.121 0.000 0.862 155 E CB -0.829 28.856 29.700 -0.025 0.000 0.799 155 E HN 0.665 nan 8.360 nan 0.000 0.518 156 L N 0.159 121.330 121.223 -0.087 0.000 1.978 156 L HA -0.277 4.064 4.340 0.003 0.000 0.218 156 L C 2.317 179.172 176.870 -0.025 0.000 1.075 156 L CA 1.861 56.482 54.840 -0.364 0.000 0.767 156 L CB -0.778 40.847 42.059 -0.724 0.000 0.890 156 L HN 0.229 nan 8.230 nan 0.000 0.434 157 S N -2.046 113.757 115.700 0.171 0.000 2.603 157 S HA -0.140 4.332 4.470 0.003 0.000 0.229 157 S C 1.197 175.778 174.600 -0.031 0.000 0.972 157 S CA 0.197 58.486 58.200 0.148 0.000 0.935 157 S CB -0.584 62.656 63.200 0.067 0.000 0.769 157 S HN 0.490 nan 8.310 nan 0.000 0.536 158 W N 1.103 122.453 121.300 0.083 0.000 3.211 158 W HA 0.479 5.140 4.660 0.003 0.000 0.292 158 W C 0.133 176.723 176.519 0.118 0.000 1.268 158 W CA -0.928 56.489 57.345 0.121 0.000 1.702 158 W CB 0.096 29.658 29.460 0.170 0.000 1.092 158 W HN 0.133 nan 8.180 nan 0.000 0.643 159 I N 2.183 122.854 120.570 0.169 0.000 2.618 159 I HA -0.061 4.111 4.170 0.003 0.000 0.284 159 I C 1.484 177.589 176.117 -0.020 0.000 1.146 159 I CA 0.169 61.482 61.300 0.021 0.000 1.425 159 I CB 0.627 38.592 38.000 -0.057 0.000 1.383 159 I HN 0.079 nan 8.210 nan 0.000 0.562 160 E N 4.549 124.693 120.200 -0.094 0.000 2.028 160 E HA -0.130 4.222 4.350 0.003 0.000 0.191 160 E C 0.343 176.859 176.600 -0.139 0.000 0.988 160 E CA 1.367 57.662 56.400 -0.175 0.000 0.799 160 E CB 0.159 29.588 29.700 -0.451 0.000 0.755 160 E HN 0.588 nan 8.360 nan 0.000 0.447 161 Q N 0.425 120.200 119.800 -0.042 0.000 2.965 161 Q HA 0.151 4.492 4.340 0.003 0.000 0.288 161 Q C -2.012 174.013 176.000 0.041 0.000 0.974 161 Q CA -1.274 54.542 55.803 0.022 0.000 0.849 161 Q CB 1.554 30.391 28.738 0.166 0.000 1.280 161 Q HN 0.036 nan 8.270 nan 0.000 0.441 162 P HA -0.105 nan 4.420 nan 0.000 0.230 162 P C 0.450 177.792 177.300 0.069 0.000 1.158 162 P CA 0.812 63.966 63.100 0.091 0.000 0.769 162 P CB 0.374 32.194 31.700 0.199 0.000 0.807 163 L N -1.250 119.986 121.223 0.022 0.000 2.628 163 L HA 0.296 4.638 4.340 0.003 0.000 0.229 163 L C 1.304 178.214 176.870 0.066 0.000 1.137 163 L CA -0.404 54.446 54.840 0.017 0.000 0.909 163 L CB -0.416 41.617 42.059 -0.043 0.000 1.137 163 L HN -0.092 nan 8.230 nan 0.000 0.470 164 G N -0.240 108.628 108.800 0.114 0.000 2.406 164 G HA2 0.337 4.299 3.960 0.003 0.000 0.251 164 G HA3 0.337 4.299 3.960 0.003 0.000 0.251 164 G C 0.788 175.794 174.900 0.176 0.000 1.271 164 G CA 0.032 45.243 45.100 0.186 0.000 0.859 164 G HN 0.250 nan 8.290 nan 0.000 0.540 165 G N 0.996 109.911 108.800 0.193 0.000 3.337 165 G HA2 0.280 4.242 3.960 0.003 0.000 0.246 165 G HA3 0.280 4.242 3.960 0.003 0.000 0.246 165 G C 0.169 175.181 174.900 0.186 0.000 1.131 165 G CA -0.222 44.970 45.100 0.153 0.000 0.773 165 G HN 0.515 nan 8.290 nan 0.000 0.544 166 E N 0.678 121.034 120.200 0.260 0.000 2.081 166 E HA 0.560 4.911 4.350 0.003 0.000 0.281 166 E C -0.375 176.358 176.600 0.222 0.000 0.986 166 E CA -0.354 56.172 56.400 0.209 0.000 0.796 166 E CB 1.397 31.334 29.700 0.395 0.000 1.085 166 E HN 0.317 nan 8.360 nan 0.000 0.398 167 L N 0.417 121.693 121.223 0.087 0.000 2.765 167 L HA 0.660 5.002 4.340 0.003 0.000 0.263 167 L C -1.537 175.333 176.870 0.001 0.000 1.068 167 L CA -1.159 53.784 54.840 0.171 0.000 0.903 167 L CB 0.948 43.097 42.059 0.150 0.000 1.512 167 L HN 0.390 nan 8.230 nan 0.000 0.404 168 L N 0.889 122.092 121.223 -0.034 0.000 2.410 168 L HA 0.846 5.188 4.340 0.003 0.000 0.270 168 L C -1.412 175.391 176.870 -0.112 0.000 0.983 168 L CA -0.488 54.222 54.840 -0.217 0.000 0.822 168 L CB 1.947 43.771 42.059 -0.392 0.000 1.285 168 L HN 0.812 nan 8.230 nan 0.000 0.409 169 M N 4.166 123.684 119.600 -0.137 0.000 2.528 169 M HA 0.597 5.079 4.480 0.003 0.000 0.321 169 M C -0.602 175.677 176.300 -0.036 0.000 1.153 169 M CA -0.772 54.485 55.300 -0.070 0.000 0.951 169 M CB 2.050 34.606 32.600 -0.074 0.000 1.705 169 M HN 0.461 nan 8.290 nan 0.000 0.451 170 R N 0.947 121.470 120.500 0.038 0.000 2.582 170 R HA 0.235 4.577 4.340 0.003 0.000 0.271 170 R C 1.029 177.434 176.300 0.175 0.000 1.078 170 R CA -0.420 55.743 56.100 0.105 0.000 1.127 170 R CB 0.684 31.040 30.300 0.094 0.000 1.038 170 R HN 0.768 nan 8.270 nan 0.000 0.500 171 R N 1.978 122.646 120.500 0.281 0.000 2.113 171 R HA -0.206 4.136 4.340 0.003 0.000 0.244 171 R C 1.753 178.180 176.300 0.212 0.000 1.142 171 R CA 2.328 58.648 56.100 0.366 0.000 0.953 171 R CB -0.109 30.315 30.300 0.208 0.000 0.860 171 R HN 0.755 nan 8.270 nan 0.000 0.438 172 E N 0.329 120.604 120.200 0.125 0.000 2.338 172 E HA -0.105 4.247 4.350 0.003 0.000 0.197 172 E C 1.782 178.431 176.600 0.082 0.000 1.007 172 E CA 1.200 57.651 56.400 0.084 0.000 0.849 172 E CB -0.075 29.657 29.700 0.054 0.000 0.774 172 E HN 0.353 nan 8.360 nan 0.000 0.506 173 V N 1.901 121.866 119.914 0.084 0.000 2.346 173 V HA -0.121 4.001 4.120 0.003 0.000 0.244 173 V C 2.730 178.857 176.094 0.055 0.000 1.037 173 V CA 1.535 63.865 62.300 0.050 0.000 1.029 173 V CB -0.740 31.098 31.823 0.026 0.000 0.663 173 V HN 0.414 nan 8.190 nan 0.000 0.454 174 A N 0.280 123.158 122.820 0.098 0.000 1.927 174 A HA -0.265 4.056 4.320 0.003 0.000 0.220 174 A C 2.372 180.067 177.584 0.185 0.000 1.185 174 A CA 2.658 54.781 52.037 0.143 0.000 0.639 174 A CB -0.814 18.374 19.000 0.312 0.000 0.820 174 A HN 0.599 nan 8.150 nan 0.000 0.451 175 A N -1.306 121.618 122.820 0.173 0.000 1.872 175 A HA -0.036 4.285 4.320 0.003 0.000 0.214 175 A C 2.203 179.883 177.584 0.159 0.000 1.187 175 A CA 1.792 53.925 52.037 0.161 0.000 0.614 175 A CB -0.512 18.547 19.000 0.099 0.000 0.826 175 A HN 0.516 nan 8.150 nan 0.000 0.442 176 M N -0.169 119.496 119.600 0.108 0.000 2.149 176 M HA -0.101 4.381 4.480 0.003 0.000 0.261 176 M C 1.805 178.161 176.300 0.094 0.000 1.064 176 M CA 1.664 57.013 55.300 0.083 0.000 1.102 176 M CB -0.750 31.881 32.600 0.051 0.000 1.369 176 M HN 0.433 nan 8.290 nan 0.000 0.408 177 L N -1.587 119.699 121.223 0.105 0.000 2.131 177 L HA -0.192 4.149 4.340 0.003 0.000 0.206 177 L C 2.443 179.426 176.870 0.188 0.000 1.087 177 L CA 0.810 55.721 54.840 0.118 0.000 0.767 177 L CB -0.908 41.167 42.059 0.027 0.000 0.917 177 L HN 0.195 nan 8.230 nan 0.000 0.441 178 Y N 1.739 122.095 120.300 0.092 0.000 2.128 178 Y HA -0.314 4.238 4.550 0.003 0.000 0.284 178 Y C 2.688 178.638 175.900 0.083 0.000 1.154 178 Y CA 2.072 60.236 58.100 0.107 0.000 1.149 178 Y CB -0.431 38.096 38.460 0.112 0.000 0.976 178 Y HN 0.274 nan 8.280 nan 0.000 0.505 179 E N 0.359 120.638 120.200 0.132 0.000 2.472 179 E HA -0.102 4.250 4.350 0.003 0.000 0.200 179 E C 0.446 177.045 176.600 -0.003 0.000 1.046 179 E CA 0.943 57.367 56.400 0.041 0.000 0.871 179 E CB -0.562 29.187 29.700 0.083 0.000 0.806 179 E HN 0.473 nan 8.360 nan 0.000 0.533 180 D N -0.391 120.015 120.400 0.010 0.000 2.280 180 D HA 0.103 4.745 4.640 0.003 0.000 0.243 180 D C 0.460 176.754 176.300 -0.010 0.000 1.129 180 D CA -0.211 53.800 54.000 0.018 0.000 0.848 180 D CB 1.017 41.852 40.800 0.058 0.000 1.107 180 D HN 0.316 nan 8.370 nan 0.000 0.471 181 E N 2.741 122.933 120.200 -0.012 0.000 2.051 181 E HA -0.210 4.142 4.350 0.003 0.000 0.192 181 E C 1.714 178.305 176.600 -0.015 0.000 0.991 181 E CA 1.108 57.494 56.400 -0.024 0.000 0.799 181 E CB 0.274 29.966 29.700 -0.015 0.000 0.748 181 E HN 0.421 nan 8.360 nan 0.000 0.449 182 R N 0.240 120.741 120.500 0.002 0.000 2.127 182 R HA -0.117 4.225 4.340 0.003 0.000 0.238 182 R C 2.324 178.625 176.300 0.001 0.000 1.134 182 R CA 0.922 57.020 56.100 -0.003 0.000 0.975 182 R CB -0.511 29.787 30.300 -0.003 0.000 0.865 182 R HN 0.049 nan 8.270 nan 0.000 0.447 183 V N 0.349 120.281 119.914 0.029 0.000 2.346 183 V HA -0.120 4.002 4.120 0.003 0.000 0.244 183 V C 2.281 178.389 176.094 0.023 0.000 1.037 183 V CA 1.616 63.951 62.300 0.057 0.000 1.029 183 V CB -0.430 31.485 31.823 0.154 0.000 0.663 183 V HN 0.133 nan 8.190 nan 0.000 0.454 184 R N 0.723 121.215 120.500 -0.012 0.000 2.091 184 R HA -0.163 4.179 4.340 0.003 0.000 0.238 184 R C 2.409 178.685 176.300 -0.039 0.000 1.136 184 R CA 1.801 57.867 56.100 -0.057 0.000 0.959 184 R CB -0.615 29.597 30.300 -0.146 0.000 0.856 184 R HN 0.427 nan 8.270 nan 0.000 0.437 185 R N -0.211 120.267 120.500 -0.036 0.000 2.127 185 R HA -0.079 4.263 4.340 0.003 0.000 0.238 185 R C 0.285 176.565 176.300 -0.033 0.000 1.134 185 R CA 1.122 57.203 56.100 -0.032 0.000 0.975 185 R CB -0.050 30.233 30.300 -0.028 0.000 0.865 185 R HN -0.082 nan 8.270 nan 0.000 0.447 186 R N 0.648 121.124 120.500 -0.040 0.000 2.893 186 R HA 0.019 4.360 4.340 0.003 0.000 0.243 186 R C 0.830 177.087 176.300 -0.072 0.000 1.481 186 R CA 0.186 56.253 56.100 -0.056 0.000 1.250 186 R CB 0.364 30.621 30.300 -0.070 0.000 1.213 186 R HN 0.270 nan 8.270 nan 0.000 0.609 187 S N 0.143 115.807 115.700 -0.060 0.000 2.501 187 S HA -0.042 4.429 4.470 0.003 0.000 0.220 187 S C 0.679 175.213 174.600 -0.109 0.000 0.997 187 S CA 0.188 58.347 58.200 -0.069 0.000 0.919 187 S CB -0.131 63.041 63.200 -0.047 0.000 0.778 187 S HN 0.573 nan 8.310 nan 0.000 0.523 188 D N 0.076 120.415 120.400 -0.102 0.000 2.481 188 D HA 0.150 4.792 4.640 0.003 0.000 0.283 188 D C 0.768 176.988 176.300 -0.135 0.000 1.192 188 D CA -0.947 52.967 54.000 -0.144 0.000 1.100 188 D CB -0.729 40.035 40.800 -0.059 0.000 1.166 188 D HN 0.297 nan 8.370 nan 0.000 0.584 189 W N -0.401 120.849 121.300 -0.084 0.000 2.468 189 W HA 0.129 4.791 4.660 0.003 0.000 0.262 189 W C 2.267 178.715 176.519 -0.118 0.000 1.241 189 W CA 0.463 57.748 57.345 -0.099 0.000 1.232 189 W CB -0.068 29.339 29.460 -0.089 0.000 1.124 189 W HN 0.553 nan 8.180 nan 0.000 0.597 190 G N 0.283 109.146 108.800 0.104 0.000 2.708 190 G HA2 -0.239 3.723 3.960 0.003 0.000 0.210 190 G HA3 -0.239 3.723 3.960 0.003 0.000 0.210 190 G C 1.236 176.096 174.900 -0.068 0.000 1.141 190 G CA 0.514 45.617 45.100 0.006 0.000 0.788 190 G HN 0.214 nan 8.290 nan 0.000 0.531 191 I N 1.221 121.717 120.570 -0.124 0.000 2.179 191 I HA -0.135 4.037 4.170 0.003 0.000 0.242 191 I C 2.037 177.894 176.117 -0.432 0.000 1.088 191 I CA 1.402 62.502 61.300 -0.333 0.000 1.357 191 I CB -0.169 37.575 38.000 -0.426 0.000 1.051 191 I HN 0.129 nan 8.210 nan 0.000 0.409 192 D N -0.403 119.854 120.400 -0.238 0.000 2.117 192 D HA -0.179 4.463 4.640 0.003 0.000 0.197 192 D C 2.047 178.350 176.300 0.005 0.000 0.987 192 D CA 2.030 55.960 54.000 -0.116 0.000 0.829 192 D CB -0.444 40.350 40.800 -0.010 0.000 0.961 192 D HN 0.368 nan 8.370 nan 0.000 0.460 193 T N 2.005 116.563 114.554 0.007 0.000 2.665 193 T HA -0.128 4.224 4.350 0.003 0.000 0.268 193 T C 2.025 176.824 174.700 0.166 0.000 1.035 193 T CA 0.504 62.659 62.100 0.093 0.000 1.151 193 T CB -0.138 68.730 68.868 0.000 0.000 0.862 193 T HN 0.076 nan 8.240 nan 0.000 0.438 194 L N -0.181 121.075 121.223 0.054 0.000 2.056 194 L HA -0.055 4.286 4.340 0.003 0.000 0.207 194 L C 2.485 179.498 176.870 0.239 0.000 1.078 194 L CA 1.821 56.724 54.840 0.104 0.000 0.749 194 L CB -1.144 40.922 42.059 0.011 0.000 0.901 194 L HN 0.304 nan 8.230 nan 0.000 0.433 195 Y N 0.662 120.999 120.300 0.062 0.000 2.128 195 Y HA -0.222 4.330 4.550 0.003 0.000 0.284 195 Y C 2.891 178.815 175.900 0.040 0.000 1.154 195 Y CA 1.311 59.435 58.100 0.039 0.000 1.149 195 Y CB -1.530 36.931 38.460 0.001 0.000 0.976 195 Y HN 0.205 nan 8.280 nan 0.000 0.505 196 T N 0.437 115.134 114.554 0.239 0.000 2.674 196 T HA -0.226 4.126 4.350 0.003 0.000 0.265 196 T C 1.771 176.481 174.700 0.018 0.000 1.039 196 T CA 1.580 63.758 62.100 0.131 0.000 1.150 196 T CB -0.836 68.157 68.868 0.208 0.000 0.864 196 T HN 0.304 nan 8.240 nan 0.000 0.427 197 F N 1.483 121.399 119.950 -0.058 0.000 2.134 197 F HA -0.125 4.404 4.527 0.003 0.000 0.299 197 F C 2.182 177.853 175.800 -0.215 0.000 1.097 197 F CA 0.981 58.825 58.000 -0.260 0.000 1.264 197 F CB -0.323 38.571 39.000 -0.177 0.000 1.001 197 F HN -0.083 nan 8.300 nan 0.000 0.479 198 V N 0.123 120.093 119.914 0.094 0.000 2.407 198 V HA -0.243 3.878 4.120 0.003 0.000 0.245 198 V C 2.559 178.598 176.094 -0.092 0.000 1.041 198 V CA 2.037 64.354 62.300 0.029 0.000 1.040 198 V CB -1.248 30.667 31.823 0.152 0.000 0.671 198 V HN 0.587 nan 8.190 nan 0.000 0.455 199 T N -1.442 113.075 114.554 -0.060 0.000 2.759 199 T HA -0.191 4.161 4.350 0.003 0.000 0.269 199 T C 1.827 176.432 174.700 -0.158 0.000 1.042 199 T CA 1.797 63.846 62.100 -0.084 0.000 1.140 199 T CB -0.660 68.175 68.868 -0.055 0.000 0.864 199 T HN 0.232 nan 8.240 nan 0.000 0.455 200 V N 2.164 121.922 119.914 -0.261 0.000 2.307 200 V HA 0.008 4.130 4.120 0.003 0.000 0.245 200 V C 3.243 179.114 176.094 -0.371 0.000 1.045 200 V CA 1.545 63.646 62.300 -0.332 0.000 1.024 200 V CB -1.360 30.194 31.823 -0.448 0.000 0.651 200 V HN 0.677 nan 8.190 nan 0.000 0.449 201 A N -0.176 122.321 122.820 -0.538 0.000 2.070 201 A HA -0.010 4.311 4.320 0.003 0.000 0.220 201 A C 2.150 179.584 177.584 -0.250 0.000 1.159 201 A CA 1.701 53.439 52.037 -0.498 0.000 0.656 201 A CB -0.493 18.071 19.000 -0.726 0.000 0.800 201 A HN 0.588 nan 8.150 nan 0.000 0.453 202 A N -1.558 121.152 122.820 -0.183 0.000 2.251 202 A HA 0.426 4.747 4.320 0.003 0.000 0.209 202 A C 1.687 179.224 177.584 -0.079 0.000 1.187 202 A CA 1.019 52.997 52.037 -0.099 0.000 0.823 202 A CB -0.992 17.971 19.000 -0.062 0.000 0.846 202 A HN 1.818 nan 8.150 nan 0.000 0.486 203 G N -0.569 108.170 108.800 -0.101 0.000 2.198 203 G HA2 -0.205 3.757 3.960 0.003 0.000 0.260 203 G HA3 -0.205 3.757 3.960 0.003 0.000 0.260 203 G C 0.219 175.097 174.900 -0.037 0.000 1.025 203 G CA 0.250 45.310 45.100 -0.067 0.000 0.769 203 G HN 0.742 nan 8.290 nan 0.000 0.507 204 V N 0.984 120.875 119.914 -0.039 0.000 2.740 204 V HA 0.416 4.538 4.120 0.003 0.000 0.303 204 V C 1.319 177.434 176.094 0.035 0.000 1.054 204 V CA 0.458 62.757 62.300 -0.002 0.000 1.106 204 V CB 1.468 33.287 31.823 -0.007 0.000 0.957 204 V HN 1.087 nan 8.190 nan 0.000 0.486 205 S N 5.714 121.467 115.700 0.089 0.000 2.489 205 S HA 0.684 5.155 4.470 0.003 0.000 0.277 205 S C -0.756 174.034 174.600 0.316 0.000 1.230 205 S CA -0.621 57.690 58.200 0.185 0.000 1.053 205 S CB 0.469 63.753 63.200 0.140 0.000 0.955 205 S HN 0.472 nan 8.310 nan 0.000 0.488 206 I N 3.562 124.328 120.570 0.327 0.000 2.465 206 I HA 0.409 4.580 4.170 0.003 0.000 0.291 206 I C -1.098 175.071 176.117 0.088 0.000 1.014 206 I CA -0.877 60.540 61.300 0.194 0.000 1.093 206 I CB 1.670 39.697 38.000 0.046 0.000 1.267 206 I HN 0.749 nan 8.210 nan 0.000 0.431 207 Y N 5.238 125.312 120.300 -0.378 0.000 2.429 207 Y HA 0.439 4.991 4.550 0.003 0.000 0.342 207 Y C -0.630 175.107 175.900 -0.272 0.000 1.004 207 Y CA -0.637 57.082 58.100 -0.634 0.000 1.075 207 Y CB 1.697 39.345 38.460 -1.354 0.000 1.214 207 Y HN 0.485 nan 8.280 nan 0.000 0.455 208 E N 5.330 125.074 120.200 -0.761 0.000 2.114 208 E HA 0.334 4.685 4.350 0.003 0.000 0.266 208 E C -1.087 175.229 176.600 -0.473 0.000 0.896 208 E CA -0.668 55.489 56.400 -0.404 0.000 0.750 208 E CB 0.851 30.399 29.700 -0.254 0.000 1.121 208 E HN 0.533 nan 8.360 nan 0.000 0.413 209 C N 2.705 121.841 119.300 -0.273 0.000 2.536 209 C HA 0.192 4.653 4.460 0.003 0.000 0.396 209 C C 0.056 174.879 174.990 -0.278 0.000 1.279 209 C CA -0.695 58.203 59.018 -0.200 0.000 2.148 209 C CB -0.765 26.802 27.740 -0.288 0.000 2.584 209 C HN 0.676 nan 8.230 nan 0.000 0.579 210 Y N 3.537 123.545 120.300 -0.485 0.000 2.326 210 Y HA 0.550 5.101 4.550 0.003 0.000 0.337 210 Y C -0.213 175.277 175.900 -0.683 0.000 1.023 210 Y CA -0.869 56.715 58.100 -0.859 0.000 1.143 210 Y CB 0.326 38.310 38.460 -0.792 0.000 1.183 210 Y HN 0.506 nan 8.280 nan 0.000 0.485 211 I N 10.175 129.947 120.570 -1.331 0.000 2.307 211 I HA 0.206 4.378 4.170 0.003 0.000 0.287 211 I C -1.824 173.690 176.117 -1.006 0.000 1.054 211 I CA -2.518 58.171 61.300 -1.018 0.000 1.218 211 I CB 1.088 38.477 38.000 -1.019 0.000 1.398 211 I HN 0.571 nan 8.210 nan 0.000 0.475 212 P HA -0.087 nan 4.420 nan 0.000 0.219 212 P C 1.168 178.388 177.300 -0.134 0.000 1.150 212 P CA 1.072 63.904 63.100 -0.447 0.000 0.814 212 P CB 0.568 32.178 31.700 -0.150 0.000 0.787 213 E N -0.025 120.156 120.200 -0.033 0.000 2.147 213 E HA 0.004 4.356 4.350 0.003 0.000 0.199 213 E C 1.280 177.971 176.600 0.152 0.000 1.005 213 E CA 1.528 58.010 56.400 0.136 0.000 0.810 213 E CB -0.918 28.939 29.700 0.262 0.000 0.736 213 E HN 0.340 nan 8.360 nan 0.000 0.460 214 G N -0.151 108.716 108.800 0.112 0.000 2.796 214 G HA2 -0.286 3.675 3.960 0.003 0.000 0.571 214 G HA3 -0.286 3.675 3.960 0.003 0.000 0.571 214 G C -0.666 174.294 174.900 0.101 0.000 1.370 214 G CA -0.176 45.008 45.100 0.138 0.000 0.856 214 G HN 0.170 nan 8.290 nan 0.000 0.538 215 K N -0.337 119.980 120.400 -0.139 0.000 2.267 215 K HA 0.747 5.069 4.320 0.003 0.000 0.246 215 K C 0.173 176.741 176.600 -0.054 0.000 0.954 215 K CA -0.212 55.930 56.287 -0.241 0.000 0.824 215 K CB 1.698 33.763 32.500 -0.726 0.000 1.167 215 K HN 1.344 nan 8.250 nan 0.000 0.431 216 A N 1.537 124.357 122.820 -0.001 0.000 2.260 216 A HA 0.529 4.851 4.320 0.003 0.000 0.308 216 A C -0.542 177.058 177.584 0.026 0.000 1.254 216 A CA -0.264 51.797 52.037 0.040 0.000 0.874 216 A CB -0.066 18.971 19.000 0.063 0.000 1.153 216 A HN 0.939 nan 8.150 nan 0.000 0.527 217 H N 0.444 119.537 119.070 0.039 0.000 2.479 217 H HA 0.807 5.364 4.556 0.003 0.000 0.335 217 H C 0.827 176.188 175.328 0.055 0.000 1.142 217 H CA -0.050 56.023 56.048 0.041 0.000 1.234 217 H CB 0.303 30.092 29.762 0.046 0.000 1.503 217 H HN 1.547 nan 8.280 nan 0.000 0.510 218 R N -0.049 120.484 120.500 0.054 0.000 2.705 218 R HA 0.519 4.861 4.340 0.003 0.000 0.264 218 R C 1.141 177.479 176.300 0.064 0.000 0.988 218 R CA 0.416 56.552 56.100 0.060 0.000 1.103 218 R CB -1.553 28.781 30.300 0.057 0.000 0.950 218 R HN 2.133 nan 8.270 nan 0.000 0.427 219 L N 1.548 122.810 121.223 0.064 0.000 2.490 219 L HA 0.550 4.892 4.340 0.003 0.000 0.274 219 L C 0.138 177.049 176.870 0.067 0.000 1.201 219 L CA -0.155 54.722 54.840 0.062 0.000 0.869 219 L CB -0.722 41.372 42.059 0.058 0.000 1.123 219 L HN 0.821 nan 8.230 nan 0.000 0.484 220 Y N 2.450 122.795 120.300 0.075 0.000 2.387 220 Y HA 0.635 5.187 4.550 0.003 0.000 0.336 220 Y C 1.036 176.992 175.900 0.092 0.000 1.067 220 Y CA 0.426 58.582 58.100 0.093 0.000 1.114 220 Y CB 2.114 40.651 38.460 0.128 0.000 1.208 220 Y HN 0.906 nan 8.280 nan 0.000 0.458 221 G N 1.055 109.914 108.800 0.098 0.000 3.022 221 G HA2 0.423 4.385 3.960 0.003 0.000 0.157 221 G HA3 0.423 4.385 3.960 0.003 0.000 0.157 221 G C 0.324 175.312 174.900 0.147 0.000 1.468 221 G CA -0.244 44.918 45.100 0.102 0.000 1.058 221 G HN 0.875 nan 8.290 nan 0.000 0.581 222 G N -1.373 107.511 108.800 0.140 0.000 2.634 222 G HA2 0.341 4.302 3.960 0.003 0.000 0.255 222 G HA3 0.341 4.302 3.960 0.003 0.000 0.255 222 G C 0.743 175.735 174.900 0.152 0.000 1.205 222 G CA -0.516 44.684 45.100 0.166 0.000 0.884 222 G HN 0.247 nan 8.290 nan 0.000 0.549 223 L N 0.906 122.194 121.223 0.108 0.000 2.261 223 L HA -0.077 4.265 4.340 0.003 0.000 0.216 223 L C 2.653 179.762 176.870 0.398 0.000 1.114 223 L CA 1.814 56.746 54.840 0.154 0.000 0.777 223 L CB -0.800 41.223 42.059 -0.060 0.000 0.910 223 L HN 0.786 nan 8.230 nan 0.000 0.440 224 D N -1.446 119.164 120.400 0.349 0.000 2.311 224 D HA -0.225 4.417 4.640 0.003 0.000 0.212 224 D C 1.287 177.575 176.300 -0.020 0.000 0.972 224 D CA 0.888 54.908 54.000 0.033 0.000 0.887 224 D CB -0.461 40.224 40.800 -0.191 0.000 0.915 224 D HN 0.261 nan 8.370 nan 0.000 0.497 225 D N 0.042 120.475 120.400 0.055 0.000 2.309 225 D HA -0.057 4.585 4.640 0.003 0.000 0.212 225 D C 1.565 177.873 176.300 0.012 0.000 0.968 225 D CA 0.517 54.535 54.000 0.032 0.000 0.882 225 D CB 0.022 40.855 40.800 0.055 0.000 0.918 225 D HN 0.377 nan 8.370 nan 0.000 0.503 226 L N -0.294 120.955 121.223 0.043 0.000 2.728 226 L HA 0.252 4.594 4.340 0.003 0.000 0.238 226 L C 2.088 178.899 176.870 -0.099 0.000 1.143 226 L CA -0.234 54.582 54.840 -0.040 0.000 0.937 226 L CB 0.315 42.381 42.059 0.012 0.000 1.225 226 L HN -0.149 nan 8.230 nan 0.000 0.507 227 R N 0.319 120.772 120.500 -0.077 0.000 2.091 227 R HA -0.162 4.180 4.340 0.003 0.000 0.238 227 R C 1.955 178.186 176.300 -0.115 0.000 1.136 227 R CA 2.202 58.213 56.100 -0.149 0.000 0.959 227 R CB -0.079 29.944 30.300 -0.462 0.000 0.856 227 R HN 0.225 nan 8.270 nan 0.000 0.437 228 T N 1.012 115.525 114.554 -0.067 0.000 2.737 228 T HA -0.170 4.182 4.350 0.003 0.000 0.265 228 T C 1.738 176.459 174.700 0.036 0.000 1.038 228 T CA 1.453 63.573 62.100 0.034 0.000 1.144 228 T CB -0.192 68.761 68.868 0.141 0.000 0.866 228 T HN 0.265 nan 8.240 nan 0.000 0.434 229 M N 0.676 120.186 119.600 -0.149 0.000 2.082 229 M HA -0.147 4.334 4.480 0.003 0.000 0.258 229 M C 2.232 178.357 176.300 -0.291 0.000 1.069 229 M CA 1.662 56.684 55.300 -0.463 0.000 1.102 229 M CB -0.328 31.734 32.600 -0.896 0.000 1.336 229 M HN 0.258 nan 8.290 nan 0.000 0.404 230 L N 0.051 121.075 121.223 -0.331 0.000 2.012 230 L HA -0.158 4.184 4.340 0.003 0.000 0.210 230 L C 2.076 178.809 176.870 -0.228 0.000 1.073 230 L CA 1.739 56.325 54.840 -0.424 0.000 0.748 230 L CB -0.879 40.802 42.059 -0.630 0.000 0.891 230 L HN 0.155 nan 8.230 nan 0.000 0.431 231 V N -0.172 119.683 119.914 -0.098 0.000 2.343 231 V HA -0.268 3.853 4.120 0.003 0.000 0.247 231 V C 2.547 178.685 176.094 0.074 0.000 1.051 231 V CA 2.152 64.473 62.300 0.035 0.000 1.036 231 V CB -0.564 31.338 31.823 0.131 0.000 0.654 231 V HN 0.540 nan 8.190 nan 0.000 0.451 232 E N -1.193 119.043 120.200 0.060 0.000 2.076 232 E HA -0.177 4.175 4.350 0.003 0.000 0.190 232 E C 2.262 178.871 176.600 0.015 0.000 0.979 232 E CA 1.491 57.940 56.400 0.082 0.000 0.807 232 E CB -0.242 29.561 29.700 0.171 0.000 0.761 232 E HN 0.573 nan 8.360 nan 0.000 0.454 233 C N 0.520 119.797 119.300 -0.038 0.000 2.425 233 C HA -0.131 4.330 4.460 0.003 0.000 0.277 233 C C 2.396 177.320 174.990 -0.110 0.000 1.280 233 C CA 0.412 59.376 59.018 -0.090 0.000 1.744 233 C CB -0.888 26.764 27.740 -0.147 0.000 1.989 233 C HN 0.425 nan 8.230 nan 0.000 0.491 234 F N 2.139 121.941 119.950 -0.247 0.000 2.163 234 F HA 0.052 4.580 4.527 0.003 0.000 0.297 234 F C 2.332 177.969 175.800 -0.272 0.000 1.094 234 F CA 1.323 59.130 58.000 -0.321 0.000 1.290 234 F CB -0.501 38.191 39.000 -0.513 0.000 1.017 234 F HN 0.126 nan 8.300 nan 0.000 0.483 235 A N 0.614 123.335 122.820 -0.166 0.000 1.940 235 A HA -0.110 4.211 4.320 0.003 0.000 0.219 235 A C 2.425 179.886 177.584 -0.205 0.000 1.176 235 A CA 1.854 53.820 52.037 -0.118 0.000 0.631 235 A CB -1.577 17.494 19.000 0.119 0.000 0.814 235 A HN 0.514 nan 8.150 nan 0.000 0.446 236 A N 0.182 122.901 122.820 -0.167 0.000 1.883 236 A HA -0.110 4.212 4.320 0.003 0.000 0.217 236 A C 2.052 179.506 177.584 -0.216 0.000 1.186 236 A CA 1.679 53.623 52.037 -0.154 0.000 0.624 236 A CB -0.547 18.389 19.000 -0.106 0.000 0.822 236 A HN 0.421 nan 8.150 nan 0.000 0.444 237 I N 0.015 120.409 120.570 -0.293 0.000 2.163 237 I HA -0.284 3.888 4.170 0.003 0.000 0.243 237 I C 2.702 178.625 176.117 -0.322 0.000 1.085 237 I CA 2.088 63.232 61.300 -0.260 0.000 1.347 237 I CB -1.401 36.421 38.000 -0.297 0.000 1.044 237 I HN 0.607 nan 8.210 nan 0.000 0.408 238 Q N 0.897 120.346 119.800 -0.585 0.000 2.170 238 Q HA -0.207 4.134 4.340 0.003 0.000 0.203 238 Q C 2.238 178.081 176.000 -0.261 0.000 0.976 238 Q CA 2.307 57.815 55.803 -0.491 0.000 0.858 238 Q CB 0.047 28.436 28.738 -0.581 0.000 0.907 238 Q HN 0.590 nan 8.270 nan 0.000 0.433 239 S N -0.645 114.933 115.700 -0.203 0.000 2.489 239 S HA -0.013 4.459 4.470 0.003 0.000 0.228 239 S C 1.611 176.142 174.600 -0.116 0.000 0.995 239 S CA 0.382 58.508 58.200 -0.122 0.000 0.934 239 S CB -0.052 63.089 63.200 -0.099 0.000 0.771 239 S HN 0.456 nan 8.310 nan 0.000 0.522 240 L N 1.397 122.532 121.223 -0.147 0.000 2.607 240 L HA 0.187 4.529 4.340 0.003 0.000 0.228 240 L C 2.630 179.548 176.870 0.080 0.000 1.123 240 L CA 0.316 55.067 54.840 -0.148 0.000 0.890 240 L CB -0.338 41.449 42.059 -0.454 0.000 1.103 240 L HN 0.487 nan 8.230 nan 0.000 0.468 241 Q N -0.366 119.382 119.800 -0.086 0.000 2.368 241 Q HA -0.221 4.121 4.340 0.003 0.000 0.210 241 Q C 1.150 176.982 176.000 -0.280 0.000 0.982 241 Q CA 1.469 57.117 55.803 -0.259 0.000 0.884 241 Q CB -0.146 28.317 28.738 -0.458 0.000 0.933 241 Q HN 0.536 nan 8.270 nan 0.000 0.460 242 H N 0.071 119.192 119.070 0.086 0.000 2.705 242 H HA 0.256 4.814 4.556 0.003 0.000 0.269 242 H C -0.015 175.426 175.328 0.188 0.000 0.998 242 H CA -0.071 56.029 56.048 0.087 0.000 1.193 242 H CB 0.502 30.284 29.762 0.032 0.000 1.485 242 H HN 0.286 nan 8.280 nan 0.000 0.521 243 E N 1.481 121.907 120.200 0.376 0.000 2.404 243 E HA 0.154 4.506 4.350 0.003 0.000 0.261 243 E C 0.095 177.026 176.600 0.553 0.000 1.074 243 E CA -0.127 56.508 56.400 0.392 0.000 0.917 243 E CB 1.880 31.762 29.700 0.303 0.000 0.965 243 E HN -0.108 nan 8.360 nan 0.000 0.433 244 V N 1.599 121.736 119.914 0.372 0.000 2.715 244 V HA 0.276 4.398 4.120 0.003 0.000 0.310 244 V C -0.079 176.114 176.094 0.165 0.000 1.054 244 V CA -0.886 61.604 62.300 0.317 0.000 0.928 244 V CB 2.192 34.135 31.823 0.200 0.000 1.007 244 V HN 0.355 nan 8.190 nan 0.000 0.437 245 V N 3.062 123.031 119.914 0.093 0.000 2.357 245 V HA 0.452 4.573 4.120 0.003 0.000 0.284 245 V C 1.100 177.167 176.094 -0.046 0.000 1.018 245 V CA 0.369 62.597 62.300 -0.120 0.000 0.841 245 V CB 1.185 32.832 31.823 -0.292 0.000 0.991 245 V HN 1.036 nan 8.190 nan 0.000 0.437 246 G N 4.351 113.111 108.800 -0.067 0.000 2.603 246 G HA2 0.138 4.100 3.960 0.003 0.000 0.214 246 G HA3 0.138 4.100 3.960 0.003 0.000 0.214 246 G C 0.346 175.227 174.900 -0.032 0.000 1.140 246 G CA 0.343 45.427 45.100 -0.027 0.000 0.800 246 G HN 0.713 nan 8.290 nan 0.000 0.533 247 Q N -0.483 119.284 119.800 -0.057 0.000 2.522 247 Q HA 0.520 4.862 4.340 0.003 0.000 0.285 247 Q C -3.174 172.789 176.000 -0.061 0.000 0.982 247 Q CA -1.866 53.908 55.803 -0.048 0.000 0.805 247 Q CB 1.760 30.469 28.738 -0.048 0.000 1.457 247 Q HN 0.018 nan 8.270 nan 0.000 0.394 248 P HA 0.638 nan 4.420 nan 0.000 0.284 248 P C -1.374 175.900 177.300 -0.044 0.000 1.292 248 P CA -0.534 62.541 63.100 -0.042 0.000 0.800 248 P CB 1.191 32.877 31.700 -0.025 0.000 1.188 249 A N 0.359 123.160 122.820 -0.032 0.000 2.422 249 A HA 0.549 4.871 4.320 0.003 0.000 0.302 249 A C -0.136 177.474 177.584 0.042 0.000 1.041 249 A CA -0.882 51.149 52.037 -0.009 0.000 0.708 249 A CB 0.669 19.643 19.000 -0.043 0.000 1.257 249 A HN 0.464 nan 8.150 nan 0.000 0.414 250 I N 3.323 123.936 120.570 0.071 0.000 2.662 250 I HA 0.053 4.224 4.170 0.003 0.000 0.285 250 I C 0.369 176.626 176.117 0.234 0.000 1.161 250 I CA 0.858 62.235 61.300 0.129 0.000 1.415 250 I CB 0.081 38.161 38.000 0.133 0.000 1.385 250 I HN 0.721 nan 8.210 nan 0.000 0.552 251 H N 7.877 126.988 119.070 0.068 0.000 2.924 251 H HA 0.522 5.080 4.556 0.003 0.000 0.333 251 H C -1.182 174.156 175.328 0.016 0.000 0.979 251 H CA -0.907 55.163 56.048 0.035 0.000 1.326 251 H CB 1.083 30.824 29.762 -0.034 0.000 1.600 251 H HN 0.614 nan 8.280 nan 0.000 0.520 252 R N 3.322 123.730 120.500 -0.153 0.000 2.771 252 R HA 0.267 4.609 4.340 0.003 0.000 0.274 252 R C -1.204 174.827 176.300 -0.449 0.000 0.987 252 R CA -0.988 54.982 56.100 -0.217 0.000 0.908 252 R CB 3.020 33.410 30.300 0.150 0.000 1.213 252 R HN 0.679 nan 8.270 nan 0.000 0.468 253 Q N 0.567 120.104 119.800 -0.438 0.000 2.305 253 Q HA 0.325 4.667 4.340 0.003 0.000 0.271 253 Q C -1.042 174.769 176.000 -0.314 0.000 1.046 253 Q CA -0.926 54.567 55.803 -0.517 0.000 0.798 253 Q CB 2.603 31.102 28.738 -0.399 0.000 1.286 253 Q HN 0.494 nan 8.270 nan 0.000 0.435 254 E N 1.953 121.927 120.200 -0.377 0.000 2.465 254 E HA -0.100 4.251 4.350 0.003 0.000 0.260 254 E C -0.739 175.906 176.600 0.075 0.000 0.980 254 E CA -0.018 56.364 56.400 -0.031 0.000 0.927 254 E CB 0.469 30.182 29.700 0.022 0.000 0.934 254 E HN 0.617 nan 8.360 nan 0.000 0.459 255 H N 5.782 124.854 119.070 0.005 0.000 3.070 255 H HA 0.074 4.632 4.556 0.003 0.000 0.313 255 H C -2.007 173.256 175.328 -0.109 0.000 0.997 255 H CA -1.146 54.887 56.048 -0.025 0.000 1.438 255 H CB 0.542 30.289 29.762 -0.025 0.000 1.455 255 H HN 0.291 nan 8.280 nan 0.000 0.575 256 P HA 0.076 nan 4.420 nan 0.000 0.275 256 P C -0.621 176.265 177.300 -0.690 0.000 1.227 256 P CA -0.148 62.311 63.100 -1.068 0.000 0.781 256 P CB 0.907 32.204 31.700 -0.673 0.000 0.906 257 H N 0.636 119.147 119.070 -0.931 0.000 2.597 257 H HA 0.295 4.853 4.556 0.003 0.000 0.370 257 H C 0.699 175.926 175.328 -0.169 0.000 1.281 257 H CA -0.444 55.438 56.048 -0.277 0.000 1.422 257 H CB 0.066 29.825 29.762 -0.006 0.000 1.524 257 H HN 0.276 nan 8.280 nan 0.000 0.607 258 R N 0.719 121.277 120.500 0.096 0.000 2.502 258 R HA 0.039 4.380 4.340 0.003 0.000 0.292 258 R C -0.468 175.885 176.300 0.088 0.000 0.998 258 R CA -0.023 56.120 56.100 0.072 0.000 1.056 258 R CB -0.422 29.912 30.300 0.056 0.000 0.939 258 R HN 0.477 nan 8.270 nan 0.000 0.411 259 V N 8.108 128.047 119.914 0.043 0.000 2.625 259 V HA 0.058 4.180 4.120 0.003 0.000 0.305 259 V C -1.863 174.184 176.094 -0.079 0.000 1.055 259 V CA -1.074 61.208 62.300 -0.031 0.000 1.209 259 V CB 0.170 31.811 31.823 -0.303 0.000 0.877 259 V HN 0.821 nan 8.190 nan 0.000 0.489 260 P HA 0.098 nan 4.420 nan 0.000 0.268 260 P C 0.922 178.117 177.300 -0.175 0.000 1.204 260 P CA -0.042 63.008 63.100 -0.084 0.000 0.768 260 P CB 0.921 32.547 31.700 -0.122 0.000 0.842 261 V N 2.977 122.850 119.914 -0.068 0.000 2.278 261 V HA -0.307 3.815 4.120 0.003 0.000 0.251 261 V C 2.187 178.254 176.094 -0.045 0.000 1.062 261 V CA 2.695 64.962 62.300 -0.055 0.000 1.038 261 V CB -1.630 30.199 31.823 0.009 0.000 0.646 261 V HN 0.810 nan 8.190 nan 0.000 0.447 262 H N -1.517 117.547 119.070 -0.009 0.000 2.491 262 H HA -0.036 4.522 4.556 0.003 0.000 0.290 262 H C 1.892 177.225 175.328 0.008 0.000 1.050 262 H CA 1.858 57.908 56.048 0.003 0.000 1.309 262 H CB -0.401 29.371 29.762 0.016 0.000 1.392 262 H HN 0.444 nan 8.280 nan 0.000 0.554 263 I N 0.473 120.751 120.570 -0.487 0.000 2.585 263 I HA 0.023 4.195 4.170 0.003 0.000 0.254 263 I C 2.639 178.681 176.117 -0.125 0.000 1.129 263 I CA 0.680 61.818 61.300 -0.270 0.000 1.455 263 I CB -0.215 37.618 38.000 -0.279 0.000 1.111 263 I HN 0.484 nan 8.210 nan 0.000 0.433 264 A N 0.305 122.992 122.820 -0.222 0.000 1.972 264 A HA -0.174 4.148 4.320 0.003 0.000 0.219 264 A C 1.962 179.528 177.584 -0.030 0.000 1.169 264 A CA 1.481 53.373 52.037 -0.241 0.000 0.635 264 A CB -0.444 18.270 19.000 -0.476 0.000 0.810 264 A HN 0.451 nan 8.150 nan 0.000 0.446 265 E N -0.621 119.562 120.200 -0.028 0.000 2.465 265 E HA 0.028 4.380 4.350 0.003 0.000 0.191 265 E C 0.687 177.301 176.600 0.024 0.000 1.053 265 E CA -0.383 56.022 56.400 0.008 0.000 0.869 265 E CB 0.076 29.783 29.700 0.010 0.000 0.977 265 E HN 0.580 nan 8.360 nan 0.000 0.483 266 R N 1.064 121.585 120.500 0.036 0.000 2.459 266 R HA 0.299 4.641 4.340 0.003 0.000 0.281 266 R C -0.726 175.593 176.300 0.032 0.000 1.050 266 R CA -0.242 55.883 56.100 0.042 0.000 1.055 266 R CB 1.054 31.391 30.300 0.061 0.000 1.045 266 R HN -0.174 nan 8.270 nan 0.000 0.495 267 V N 3.589 123.504 119.914 0.003 0.000 2.398 267 V HA 0.278 4.399 4.120 0.003 0.000 0.286 267 V C 1.160 177.241 176.094 -0.022 0.000 1.026 267 V CA -0.078 62.194 62.300 -0.046 0.000 0.868 267 V CB 1.584 33.340 31.823 -0.113 0.000 0.982 267 V HN 1.088 nan 8.190 nan 0.000 0.443 268 G N 4.119 112.928 108.800 0.014 0.000 2.572 268 G HA2 0.055 4.016 3.960 0.003 0.000 0.216 268 G HA3 0.055 4.016 3.960 0.003 0.000 0.216 268 G C 0.184 175.211 174.900 0.212 0.000 1.133 268 G CA 0.972 46.154 45.100 0.137 0.000 0.791 268 G HN 0.856 nan 8.290 nan 0.000 0.538 269 Y N -2.496 117.804 120.300 -0.001 0.000 2.641 269 Y HA 0.530 5.082 4.550 0.003 0.000 0.333 269 Y C -1.868 174.023 175.900 -0.015 0.000 1.174 269 Y CA -2.206 55.892 58.100 -0.004 0.000 1.057 269 Y CB 0.683 39.132 38.460 -0.018 0.000 1.322 269 Y HN -0.131 nan 8.280 nan 0.000 0.457 270 D N 1.898 122.379 120.400 0.135 0.000 2.344 270 D HA 0.196 4.838 4.640 0.003 0.000 0.253 270 D C 0.802 177.157 176.300 0.092 0.000 1.255 270 D CA 0.174 54.202 54.000 0.046 0.000 0.894 270 D CB 1.714 42.566 40.800 0.086 0.000 1.067 270 D HN 0.555 nan 8.370 nan 0.000 0.492 271 V N 4.416 124.276 119.914 -0.090 0.000 2.295 271 V HA -0.197 3.924 4.120 0.003 0.000 0.246 271 V C 2.388 178.511 176.094 0.049 0.000 1.049 271 V CA 1.671 63.951 62.300 -0.033 0.000 1.024 271 V CB -0.532 31.187 31.823 -0.174 0.000 0.648 271 V HN 0.651 nan 8.190 nan 0.000 0.447 272 E N 0.248 120.467 120.200 0.031 0.000 2.058 272 E HA -0.273 4.079 4.350 0.003 0.000 0.194 272 E C 2.249 178.922 176.600 0.122 0.000 0.997 272 E CA 1.593 58.029 56.400 0.060 0.000 0.801 272 E CB -0.230 29.493 29.700 0.038 0.000 0.746 272 E HN 0.562 nan 8.360 nan 0.000 0.450 273 A N 0.033 122.933 122.820 0.132 0.000 1.972 273 A HA -0.144 4.178 4.320 0.003 0.000 0.219 273 A C 2.318 180.006 177.584 0.173 0.000 1.169 273 A CA 1.894 54.035 52.037 0.174 0.000 0.635 273 A CB -0.682 18.403 19.000 0.141 0.000 0.810 273 A HN 0.297 nan 8.150 nan 0.000 0.446 274 T N 0.243 114.891 114.554 0.157 0.000 2.857 274 T HA -0.010 4.342 4.350 0.003 0.000 0.266 274 T C 1.754 176.513 174.700 0.098 0.000 1.048 274 T CA 1.319 63.489 62.100 0.116 0.000 1.139 274 T CB -0.295 68.636 68.868 0.104 0.000 0.874 274 T HN 0.368 nan 8.240 nan 0.000 0.455 275 L N -0.125 121.171 121.223 0.121 0.000 2.109 275 L HA -0.050 4.292 4.340 0.003 0.000 0.207 275 L C 2.505 179.506 176.870 0.219 0.000 1.086 275 L CA 1.320 56.246 54.840 0.143 0.000 0.760 275 L CB -0.563 41.579 42.059 0.138 0.000 0.910 275 L HN 0.435 nan 8.230 nan 0.000 0.437 276 H N 0.062 119.193 119.070 0.103 0.000 2.293 276 H HA -0.214 4.344 4.556 0.003 0.000 0.300 276 H C 2.416 177.828 175.328 0.140 0.000 1.082 276 H CA 1.317 57.433 56.048 0.113 0.000 1.308 276 H CB 0.337 30.157 29.762 0.096 0.000 1.375 276 H HN 0.022 nan 8.280 nan 0.000 0.495 277 R N 0.860 121.422 120.500 0.103 0.000 2.200 277 R HA -0.117 4.225 4.340 0.003 0.000 0.234 277 R C 2.142 178.525 176.300 0.138 0.000 1.127 277 R CA 0.819 56.952 56.100 0.055 0.000 0.989 277 R CB -0.751 29.610 30.300 0.103 0.000 0.869 277 R HN 0.360 nan 8.270 nan 0.000 0.459 278 L N -0.338 120.981 121.223 0.160 0.000 2.362 278 L HA 0.083 4.425 4.340 0.003 0.000 0.219 278 L C 1.374 178.430 176.870 0.310 0.000 1.134 278 L CA 1.585 56.528 54.840 0.173 0.000 0.807 278 L CB -0.099 42.057 42.059 0.161 0.000 0.927 278 L HN 0.275 nan 8.230 nan 0.000 0.447 279 M N -1.563 118.230 119.600 0.323 0.000 2.428 279 M HA 0.138 4.620 4.480 0.003 0.000 0.239 279 M C 0.206 176.779 176.300 0.456 0.000 1.121 279 M CA 0.191 55.743 55.300 0.419 0.000 1.019 279 M CB 0.270 33.057 32.600 0.312 0.000 1.485 279 M HN 0.161 nan 8.290 nan 0.000 0.484 280 Q N -1.323 118.673 119.800 0.327 0.000 2.306 280 Q HA 0.364 4.706 4.340 0.003 0.000 0.269 280 Q C -0.395 175.781 176.000 0.293 0.000 1.053 280 Q CA -0.915 55.069 55.803 0.302 0.000 0.879 280 Q CB 1.029 29.910 28.738 0.238 0.000 1.344 280 Q HN 0.205 nan 8.270 nan 0.000 0.464 281 H N -2.444 116.653 119.070 0.045 0.000 2.958 281 H HA -0.176 4.382 4.556 0.003 0.000 0.274 281 H C -1.306 173.994 175.328 -0.048 0.000 1.184 281 H CA 0.561 56.594 56.048 -0.025 0.000 1.143 281 H CB -1.730 27.975 29.762 -0.095 0.000 1.297 281 H HN 0.444 nan 8.280 nan 0.000 0.356 282 W N 0.716 122.077 121.300 0.101 0.000 2.170 282 W HA 0.380 5.042 4.660 0.003 0.000 0.336 282 W C 0.909 177.438 176.519 0.017 0.000 1.283 282 W CA 0.912 58.288 57.345 0.053 0.000 1.224 282 W CB 0.817 30.298 29.460 0.036 0.000 1.132 282 W HN 0.262 nan 8.180 nan 0.000 0.571 283 T N -0.341 114.390 114.554 0.296 0.000 2.903 283 T HA 0.354 4.706 4.350 0.003 0.000 0.299 283 T C -2.242 172.557 174.700 0.165 0.000 1.093 283 T CA -2.115 60.086 62.100 0.167 0.000 1.002 283 T CB 2.060 70.972 68.868 0.073 0.000 1.127 283 T HN 0.035 nan 8.240 nan 0.000 0.488 284 P HA -0.026 nan 4.420 nan 0.000 0.221 284 P C 1.408 178.735 177.300 0.045 0.000 1.145 284 P CA 0.709 63.844 63.100 0.058 0.000 0.795 284 P CB 0.117 31.833 31.700 0.026 0.000 0.775 285 R N -0.101 120.415 120.500 0.026 0.000 2.115 285 R HA -0.089 4.252 4.340 0.003 0.000 0.226 285 R C 2.178 178.447 176.300 -0.052 0.000 1.100 285 R CA 1.224 57.313 56.100 -0.019 0.000 0.980 285 R CB -0.330 29.947 30.300 -0.039 0.000 0.875 285 R HN 0.172 nan 8.270 nan 0.000 0.445 286 Q N -0.331 119.463 119.800 -0.010 0.000 2.050 286 Q HA -0.124 4.218 4.340 0.003 0.000 0.202 286 Q C 2.123 178.196 176.000 0.121 0.000 0.980 286 Q CA 1.805 57.597 55.803 -0.018 0.000 0.840 286 Q CB 0.045 28.784 28.738 0.002 0.000 0.898 286 Q HN 0.174 nan 8.270 nan 0.000 0.424 287 V N 1.176 121.223 119.914 0.221 0.000 2.282 287 V HA -0.309 3.813 4.120 0.003 0.000 0.249 287 V C 2.149 178.280 176.094 0.061 0.000 1.057 287 V CA 2.267 64.655 62.300 0.147 0.000 1.032 287 V CB -0.536 31.312 31.823 0.042 0.000 0.645 287 V HN 0.427 nan 8.190 nan 0.000 0.447 288 E N -0.544 119.672 120.200 0.026 0.000 2.152 288 E HA -0.179 4.173 4.350 0.003 0.000 0.192 288 E C 2.116 178.717 176.600 0.001 0.000 0.983 288 E CA 0.640 57.045 56.400 0.009 0.000 0.818 288 E CB -0.010 29.689 29.700 -0.001 0.000 0.758 288 E HN 0.365 nan 8.360 nan 0.000 0.467 289 L N 0.949 122.139 121.223 -0.054 0.000 2.191 289 L HA -0.118 4.224 4.340 0.003 0.000 0.212 289 L C 2.096 179.012 176.870 0.076 0.000 1.103 289 L CA 1.257 56.030 54.840 -0.111 0.000 0.769 289 L CB -0.580 41.206 42.059 -0.454 0.000 0.908 289 L HN 0.279 nan 8.230 nan 0.000 0.438 290 L N -0.999 120.293 121.223 0.115 0.000 2.353 290 L HA -0.203 4.138 4.340 0.003 0.000 0.220 290 L C 2.254 179.300 176.870 0.293 0.000 1.133 290 L CA 0.468 55.456 54.840 0.247 0.000 0.798 290 L CB -0.274 41.849 42.059 0.106 0.000 0.922 290 L HN 0.226 nan 8.230 nan 0.000 0.445 291 E N 0.384 120.677 120.200 0.155 0.000 2.265 291 E HA -0.174 4.178 4.350 0.003 0.000 0.196 291 E C 1.982 178.636 176.600 0.092 0.000 0.996 291 E CA 0.902 57.362 56.400 0.099 0.000 0.832 291 E CB -0.129 29.599 29.700 0.046 0.000 0.756 291 E HN 0.461 nan 8.360 nan 0.000 0.491 292 L N -0.474 120.804 121.223 0.091 0.000 2.478 292 L HA 0.063 4.405 4.340 0.003 0.000 0.223 292 L C 0.170 176.924 176.870 -0.193 0.000 1.140 292 L CA -0.102 54.666 54.840 -0.120 0.000 0.842 292 L CB -0.054 41.828 42.059 -0.296 0.000 0.953 292 L HN 0.008 nan 8.230 nan 0.000 0.452 293 F N -0.516 119.479 119.950 0.075 0.000 2.457 293 F HA 0.260 4.789 4.527 0.003 0.000 0.330 293 F C 1.273 177.120 175.800 0.078 0.000 1.069 293 F CA -1.176 56.883 58.000 0.099 0.000 1.009 293 F CB 0.730 39.800 39.000 0.116 0.000 1.276 293 F HN -0.196 nan 8.300 nan 0.000 0.492 294 T N -2.269 112.455 114.554 0.284 0.000 2.932 294 T HA 0.041 4.392 4.350 0.003 0.000 0.312 294 T C 1.121 175.915 174.700 0.157 0.000 1.071 294 T CA -0.216 61.995 62.100 0.184 0.000 1.128 294 T CB 0.671 69.649 68.868 0.183 0.000 0.984 294 T HN 0.664 nan 8.240 nan 0.000 0.549 295 T N 3.865 118.479 114.554 0.100 0.000 2.620 295 T HA -0.100 4.252 4.350 0.003 0.000 0.267 295 T C -0.746 173.970 174.700 0.027 0.000 1.044 295 T CA 1.964 64.099 62.100 0.058 0.000 1.161 295 T CB -1.497 67.396 68.868 0.042 0.000 0.862 295 T HN 0.612 nan 8.240 nan 0.000 0.438 296 P HA 0.050 nan 4.420 nan 0.000 0.219 296 P C 1.559 178.795 177.300 -0.107 0.000 1.150 296 P CA 0.464 63.574 63.100 0.017 0.000 0.814 296 P CB -0.144 31.633 31.700 0.128 0.000 0.787 297 V N -0.153 119.783 119.914 0.036 0.000 2.488 297 V HA -0.133 3.989 4.120 0.003 0.000 0.246 297 V C 2.691 178.688 176.094 -0.161 0.000 1.046 297 V CA 1.450 63.758 62.300 0.012 0.000 1.053 297 V CB -0.901 31.097 31.823 0.292 0.000 0.679 297 V HN 0.049 nan 8.190 nan 0.000 0.458 298 R N 0.535 121.014 120.500 -0.035 0.000 2.070 298 R HA -0.189 4.153 4.340 0.003 0.000 0.233 298 R C 2.230 178.452 176.300 -0.130 0.000 1.137 298 R CA 2.091 58.173 56.100 -0.028 0.000 0.945 298 R CB -0.202 30.133 30.300 0.057 0.000 0.845 298 R HN 0.595 nan 8.270 nan 0.000 0.430 299 E N -0.809 119.289 120.200 -0.170 0.000 2.106 299 E HA -0.096 4.255 4.350 0.003 0.000 0.192 299 E C 1.928 178.331 176.600 -0.329 0.000 0.984 299 E CA 1.001 57.284 56.400 -0.196 0.000 0.806 299 E CB -0.162 29.451 29.700 -0.144 0.000 0.750 299 E HN 0.610 nan 8.360 nan 0.000 0.458 300 G N 1.312 109.715 108.800 -0.661 0.000 2.421 300 G HA2 -0.242 3.719 3.960 0.003 0.000 0.216 300 G HA3 -0.242 3.719 3.960 0.003 0.000 0.216 300 G C 1.537 176.074 174.900 -0.606 0.000 1.171 300 G CA 0.401 44.819 45.100 -1.136 0.000 0.775 300 G HN 0.102 nan 8.290 nan 0.000 0.543 301 L N 0.232 121.208 121.223 -0.411 0.000 2.156 301 L HA 0.210 4.552 4.340 0.003 0.000 0.208 301 L C 2.922 179.874 176.870 0.137 0.000 1.095 301 L CA 1.088 55.977 54.840 0.082 0.000 0.770 301 L CB -0.277 41.882 42.059 0.168 0.000 0.914 301 L HN 0.095 nan 8.230 nan 0.000 0.439 302 R N -1.473 118.990 120.500 -0.062 0.000 2.127 302 R HA -0.141 4.200 4.340 0.003 0.000 0.238 302 R C 1.983 178.130 176.300 -0.255 0.000 1.134 302 R CA 1.751 57.711 56.100 -0.233 0.000 0.975 302 R CB -0.681 29.497 30.300 -0.203 0.000 0.865 302 R HN 0.355 nan 8.270 nan 0.000 0.447 303 T N 0.221 114.687 114.554 -0.147 0.000 2.833 303 T HA -0.161 4.191 4.350 0.003 0.000 0.269 303 T C 1.876 176.548 174.700 -0.047 0.000 1.054 303 T CA 1.143 63.181 62.100 -0.104 0.000 1.135 303 T CB -0.306 68.516 68.868 -0.077 0.000 0.869 303 T HN 0.387 nan 8.240 nan 0.000 0.466 304 C N 1.748 121.085 119.300 0.061 0.000 2.413 304 C HA -0.071 4.391 4.460 0.003 0.000 0.292 304 C C 2.681 177.749 174.990 0.130 0.000 1.435 304 C CA 0.330 59.469 59.018 0.201 0.000 1.791 304 C CB -1.397 26.597 27.740 0.424 0.000 1.784 304 C HN 0.620 nan 8.230 nan 0.000 0.548 305 Q N -0.035 119.605 119.800 -0.266 0.000 2.226 305 Q HA -0.123 4.219 4.340 0.003 0.000 0.204 305 Q C 2.261 178.165 176.000 -0.159 0.000 0.975 305 Q CA 1.258 56.770 55.803 -0.484 0.000 0.866 305 Q CB -0.027 28.220 28.738 -0.819 0.000 0.915 305 Q HN 0.696 nan 8.270 nan 0.000 0.440 306 R N -0.377 120.064 120.500 -0.099 0.000 2.225 306 R HA 0.155 4.497 4.340 0.003 0.000 0.194 306 R C 0.017 176.322 176.300 0.008 0.000 0.949 306 R CA 0.328 56.400 56.100 -0.046 0.000 1.088 306 R CB 0.683 30.942 30.300 -0.068 0.000 1.106 306 R HN 0.068 nan 8.270 nan 0.000 0.566 307 R N -0.608 119.909 120.500 0.029 0.000 2.692 307 R HA 0.395 4.737 4.340 0.003 0.000 0.269 307 R C -3.226 173.132 176.300 0.096 0.000 1.030 307 R CA -2.022 54.112 56.100 0.057 0.000 0.882 307 R CB 0.273 30.587 30.300 0.023 0.000 1.250 307 R HN -0.263 nan 8.270 nan 0.000 0.465 308 P HA 0.338 nan 4.420 nan 0.000 0.271 308 P C -1.162 176.222 177.300 0.141 0.000 1.216 308 P CA -0.193 63.028 63.100 0.203 0.000 0.771 308 P CB 1.252 33.113 31.700 0.268 0.000 0.864 309 A N 2.761 125.704 122.820 0.205 0.000 2.449 309 A HA 0.751 5.072 4.320 0.003 0.000 0.302 309 A C -0.575 177.173 177.584 0.272 0.000 1.048 309 A CA -0.459 51.625 52.037 0.078 0.000 0.708 309 A CB 0.591 19.675 19.000 0.141 0.000 1.274 309 A HN 0.585 nan 8.150 nan 0.000 0.410 310 F N -0.487 119.528 119.950 0.109 0.000 3.064 310 F HA 0.216 4.744 4.527 0.003 0.000 0.406 310 F C 0.855 176.469 175.800 -0.311 0.000 1.027 310 F CA -0.270 57.590 58.000 -0.233 0.000 0.960 310 F CB -0.474 38.407 39.000 -0.199 0.000 1.418 310 F HN 0.359 nan 8.300 nan 0.000 0.536 311 N N 2.358 120.885 118.700 -0.289 0.000 2.184 311 N HA -0.214 4.528 4.740 0.003 0.000 0.190 311 N C 1.671 177.157 175.510 -0.041 0.000 1.011 311 N CA 2.314 55.298 53.050 -0.110 0.000 0.867 311 N CB -0.716 37.699 38.487 -0.121 0.000 0.993 311 N HN 0.663 nan 8.380 nan 0.000 0.433 312 F N -0.540 119.418 119.950 0.013 0.000 2.293 312 F HA 0.145 4.673 4.527 0.003 0.000 0.300 312 F C 1.300 177.162 175.800 0.103 0.000 1.086 312 F CA 0.174 58.205 58.000 0.052 0.000 1.375 312 F CB -0.522 38.505 39.000 0.046 0.000 1.045 312 F HN -0.141 nan 8.300 nan 0.000 0.516 313 M N 3.582 122.709 119.600 -0.788 0.000 3.690 313 M HA 0.173 4.655 4.480 0.003 0.000 0.209 313 M C -0.460 175.779 176.300 -0.101 0.000 1.403 313 M CA -1.182 53.842 55.300 -0.460 0.000 1.621 313 M CB -1.650 30.538 32.600 -0.686 0.000 1.056 313 M HN 0.381 nan 8.290 nan 0.000 0.593 314 D N -0.895 119.533 120.400 0.046 0.000 2.425 314 D HA 0.028 4.669 4.640 0.003 0.000 0.274 314 D C 0.810 177.243 176.300 0.221 0.000 1.242 314 D CA -0.223 53.839 54.000 0.103 0.000 1.060 314 D CB 0.216 41.083 40.800 0.111 0.000 1.112 314 D HN 0.474 nan 8.370 nan 0.000 0.561 315 E N -0.996 119.359 120.200 0.258 0.000 2.051 315 E HA -0.190 4.162 4.350 0.003 0.000 0.192 315 E C 2.105 178.979 176.600 0.456 0.000 0.991 315 E CA 1.163 57.783 56.400 0.367 0.000 0.799 315 E CB -0.055 29.801 29.700 0.261 0.000 0.748 315 E HN 0.449 nan 8.360 nan 0.000 0.449 316 M N 0.029 119.830 119.600 0.334 0.000 2.132 316 M HA -0.106 4.375 4.480 0.003 0.000 0.263 316 M C 2.495 178.972 176.300 0.296 0.000 1.065 316 M CA 1.339 56.823 55.300 0.306 0.000 1.122 316 M CB -0.190 32.546 32.600 0.227 0.000 1.365 316 M HN 0.205 nan 8.290 nan 0.000 0.411 317 A N 0.021 123.020 122.820 0.298 0.000 1.940 317 A HA -0.234 4.087 4.320 0.003 0.000 0.219 317 A C 2.033 179.848 177.584 0.385 0.000 1.176 317 A CA 1.304 53.534 52.037 0.321 0.000 0.631 317 A CB -1.307 17.892 19.000 0.332 0.000 0.814 317 A HN 0.821 nan 8.150 nan 0.000 0.446 318 W N 0.534 121.953 121.300 0.198 0.000 2.381 318 W HA -0.140 4.521 4.660 0.003 0.000 0.301 318 W C 2.311 178.932 176.519 0.170 0.000 1.205 318 W CA 1.539 59.002 57.345 0.197 0.000 1.285 318 W CB -0.138 29.447 29.460 0.208 0.000 1.133 318 W HN 0.438 nan 8.180 nan 0.000 0.521 319 A N 1.078 123.952 122.820 0.090 0.000 1.877 319 A HA -0.140 4.182 4.320 0.003 0.000 0.216 319 A C 2.123 179.679 177.584 -0.047 0.000 1.186 319 A CA 2.710 54.618 52.037 -0.214 0.000 0.620 319 A CB -1.374 17.523 19.000 -0.171 0.000 0.822 319 A HN 0.319 nan 8.150 nan 0.000 0.443 320 A N -1.023 121.869 122.820 0.121 0.000 1.877 320 A HA -0.101 4.221 4.320 0.003 0.000 0.216 320 A C 2.315 179.994 177.584 0.159 0.000 1.186 320 A CA 2.380 54.524 52.037 0.178 0.000 0.620 320 A CB -1.429 17.688 19.000 0.194 0.000 0.822 320 A HN 0.439 nan 8.150 nan 0.000 0.443 321 T N -1.516 113.140 114.554 0.171 0.000 2.665 321 T HA -0.225 4.127 4.350 0.003 0.000 0.268 321 T C 1.780 176.459 174.700 -0.034 0.000 1.035 321 T CA 1.863 64.097 62.100 0.223 0.000 1.151 321 T CB -0.485 68.497 68.868 0.189 0.000 0.862 321 T HN 0.514 nan 8.240 nan 0.000 0.438 322 Y N 1.223 121.233 120.300 -0.482 0.000 2.207 322 Y HA -0.233 4.318 4.550 0.003 0.000 0.287 322 Y C 2.654 178.353 175.900 -0.335 0.000 1.156 322 Y CA 1.512 59.264 58.100 -0.581 0.000 1.182 322 Y CB -0.260 37.714 38.460 -0.810 0.000 0.979 322 Y HN 0.386 nan 8.280 nan 0.000 0.521 323 H N -1.796 117.288 119.070 0.023 0.000 2.395 323 H HA -0.099 4.459 4.556 0.003 0.000 0.299 323 H C 2.483 177.779 175.328 -0.054 0.000 1.070 323 H CA 1.639 57.682 56.048 -0.010 0.000 1.356 323 H CB -0.511 29.229 29.762 -0.036 0.000 1.401 323 H HN 0.242 nan 8.280 nan 0.000 0.524 324 V N 1.298 121.238 119.914 0.044 0.000 2.392 324 V HA -0.235 3.887 4.120 0.003 0.000 0.249 324 V C 2.726 178.789 176.094 -0.052 0.000 1.059 324 V CA 1.362 63.618 62.300 -0.074 0.000 1.051 324 V CB -0.581 30.993 31.823 -0.415 0.000 0.658 324 V HN 0.231 nan 8.190 nan 0.000 0.455 325 L N -1.138 120.070 121.223 -0.026 0.000 2.072 325 L HA -0.094 4.247 4.340 0.003 0.000 0.205 325 L C 2.362 179.280 176.870 0.080 0.000 1.079 325 L CA 1.127 55.960 54.840 -0.012 0.000 0.752 325 L CB -0.433 41.428 42.059 -0.330 0.000 0.906 325 L HN 0.265 nan 8.230 nan 0.000 0.436 326 L N -0.178 121.080 121.223 0.058 0.000 2.043 326 L HA -0.276 4.066 4.340 0.003 0.000 0.212 326 L C 2.621 179.434 176.870 -0.094 0.000 1.075 326 L CA 1.689 56.519 54.840 -0.016 0.000 0.752 326 L CB -0.378 41.653 42.059 -0.046 0.000 0.891 326 L HN 0.384 nan 8.230 nan 0.000 0.432 327 E N -0.980 119.129 120.200 -0.152 0.000 2.122 327 E HA -0.166 4.186 4.350 0.003 0.000 0.190 327 E C 1.631 177.948 176.600 -0.471 0.000 0.977 327 E CA 0.992 57.195 56.400 -0.328 0.000 0.820 327 E CB 0.173 29.600 29.700 -0.456 0.000 0.770 327 E HN 0.610 nan 8.360 nan 0.000 0.462 328 H N -1.833 117.088 119.070 -0.249 0.000 3.058 328 H HA 0.169 4.727 4.556 0.003 0.000 0.258 328 H C -0.353 174.358 175.328 -1.030 0.000 1.015 328 H CA -0.426 55.352 56.048 -0.451 0.000 1.210 328 H CB 0.444 30.005 29.762 -0.335 0.000 1.481 328 H HN 0.057 nan 8.280 nan 0.000 0.492 329 F N 2.918 122.301 119.950 -0.945 0.000 2.529 329 F HA 0.109 4.637 4.527 0.003 0.000 0.365 329 F C -0.221 175.175 175.800 -0.674 0.000 1.102 329 F CA -0.266 57.090 58.000 -1.072 0.000 1.271 329 F CB 0.683 39.517 39.000 -0.277 0.000 1.120 329 F HN -0.004 nan 8.300 nan 0.000 0.579 330 Q N 7.854 126.794 119.800 -1.433 0.000 2.357 330 Q HA 0.325 4.667 4.340 0.003 0.000 0.266 330 Q C -2.458 173.036 176.000 -0.843 0.000 1.021 330 Q CA -2.223 53.114 55.803 -0.776 0.000 0.784 330 Q CB 1.340 29.846 28.738 -0.387 0.000 1.243 330 Q HN 0.418 nan 8.270 nan 0.000 0.465 331 P HA 0.007 nan 4.420 nan 0.000 0.266 331 P C 0.924 178.159 177.300 -0.108 0.000 1.195 331 P CA 0.899 63.917 63.100 -0.137 0.000 0.768 331 P CB 0.589 32.341 31.700 0.086 0.000 0.838 332 G N 1.650 110.433 108.800 -0.028 0.000 2.245 332 G HA2 -0.246 3.715 3.960 0.003 0.000 0.264 332 G HA3 -0.246 3.715 3.960 0.003 0.000 0.264 332 G C 0.203 175.094 174.900 -0.014 0.000 0.985 332 G CA 0.212 45.309 45.100 -0.006 0.000 0.625 332 G HN 0.676 nan 8.290 nan 0.000 0.536 333 D N 1.338 121.709 120.400 -0.048 0.000 2.336 333 D HA 0.410 5.052 4.640 0.003 0.000 0.249 333 D C -0.503 175.820 176.300 0.038 0.000 1.213 333 D CA -1.940 52.071 54.000 0.019 0.000 0.870 333 D CB 1.201 42.061 40.800 0.100 0.000 1.076 333 D HN 0.139 nan 8.370 nan 0.000 0.483 334 P HA -0.112 nan 4.420 nan 0.000 0.217 334 P C 0.722 178.031 177.300 0.015 0.000 1.148 334 P CA 0.819 63.935 63.100 0.028 0.000 0.828 334 P CB 0.430 32.140 31.700 0.017 0.000 0.783 335 D N -2.090 118.296 120.400 -0.023 0.000 2.123 335 D HA -0.108 4.534 4.640 0.003 0.000 0.200 335 D C 1.898 178.115 176.300 -0.138 0.000 0.976 335 D CA 1.002 54.935 54.000 -0.111 0.000 0.831 335 D CB -0.638 40.052 40.800 -0.183 0.000 0.974 335 D HN 0.256 nan 8.370 nan 0.000 0.469 336 W N 1.874 123.158 121.300 -0.027 0.000 2.381 336 W HA -0.071 4.591 4.660 0.003 0.000 0.301 336 W C 2.440 179.078 176.519 0.197 0.000 1.205 336 W CA 0.581 57.928 57.345 0.003 0.000 1.285 336 W CB -0.098 29.169 29.460 -0.323 0.000 1.133 336 W HN 0.022 nan 8.180 nan 0.000 0.521 337 E N -0.159 120.253 120.200 0.353 0.000 2.153 337 E HA -0.244 4.108 4.350 0.003 0.000 0.194 337 E C 1.764 178.502 176.600 0.230 0.000 0.988 337 E CA 1.351 57.976 56.400 0.375 0.000 0.811 337 E CB -0.144 29.687 29.700 0.218 0.000 0.746 337 E HN 0.190 nan 8.360 nan 0.000 0.466 338 E N 0.680 120.948 120.200 0.114 0.000 2.170 338 E HA -0.104 4.247 4.350 0.003 0.000 0.191 338 E C 1.768 178.382 176.600 0.024 0.000 0.981 338 E CA 0.392 56.815 56.400 0.038 0.000 0.830 338 E CB -0.003 29.661 29.700 -0.059 0.000 0.775 338 E HN 0.060 nan 8.360 nan 0.000 0.470 339 L N 0.327 121.548 121.223 -0.004 0.000 2.044 339 L HA -0.008 4.333 4.340 0.003 0.000 0.205 339 L C 2.268 179.171 176.870 0.054 0.000 1.075 339 L CA 1.362 56.166 54.840 -0.060 0.000 0.747 339 L CB -1.153 40.854 42.059 -0.086 0.000 0.903 339 L HN 0.341 nan 8.230 nan 0.000 0.435 340 L N -0.918 120.418 121.223 0.188 0.000 2.021 340 L HA -0.302 4.040 4.340 0.003 0.000 0.215 340 L C 2.388 179.317 176.870 0.097 0.000 1.074 340 L CA 2.117 56.995 54.840 0.063 0.000 0.760 340 L CB -1.023 40.996 42.059 -0.067 0.000 0.889 340 L HN 0.328 nan 8.230 nan 0.000 0.433 341 F N 0.029 119.983 119.950 0.006 0.000 2.186 341 F HA -0.132 4.397 4.527 0.003 0.000 0.299 341 F C 2.284 178.142 175.800 0.096 0.000 1.090 341 F CA 1.734 59.758 58.000 0.040 0.000 1.307 341 F CB -0.263 38.720 39.000 -0.028 0.000 1.019 341 F HN 0.035 nan 8.300 nan 0.000 0.489 342 K N 0.269 120.594 120.400 -0.126 0.000 2.103 342 K HA -0.053 4.269 4.320 0.003 0.000 0.204 342 K C 2.127 178.660 176.600 -0.111 0.000 1.052 342 K CA 1.287 57.438 56.287 -0.227 0.000 0.945 342 K CB -0.264 32.129 32.500 -0.179 0.000 0.722 342 K HN 0.347 nan 8.250 nan 0.000 0.443 343 L N -0.513 120.712 121.223 0.004 0.000 1.994 343 L HA -0.207 4.135 4.340 0.003 0.000 0.208 343 L C 2.393 179.371 176.870 0.179 0.000 1.071 343 L CA 1.419 56.346 54.840 0.145 0.000 0.745 343 L CB -0.559 41.600 42.059 0.168 0.000 0.892 343 L HN 0.343 nan 8.230 nan 0.000 0.431 344 W N 0.950 122.223 121.300 -0.044 0.000 2.321 344 W HA -0.242 4.420 4.660 0.003 0.000 0.306 344 W C 2.522 178.759 176.519 -0.470 0.000 1.217 344 W CA 2.204 59.367 57.345 -0.303 0.000 1.257 344 W CB -0.487 28.858 29.460 -0.192 0.000 1.145 344 W HN 0.001 nan 8.180 nan 0.000 0.509 345 T N -0.265 114.008 114.554 -0.468 0.000 2.720 345 T HA -0.262 4.089 4.350 0.003 0.000 0.268 345 T C 1.786 176.152 174.700 -0.557 0.000 1.037 345 T CA 2.866 64.543 62.100 -0.704 0.000 1.144 345 T CB -0.901 67.579 68.868 -0.646 0.000 0.864 345 T HN 0.419 nan 8.240 nan 0.000 0.444 346 T N 0.518 114.866 114.554 -0.343 0.000 2.867 346 T HA -0.063 4.288 4.350 0.003 0.000 0.268 346 T C 1.998 176.459 174.700 -0.399 0.000 1.057 346 T CA 1.016 62.961 62.100 -0.258 0.000 1.136 346 T CB -0.207 68.593 68.868 -0.114 0.000 0.874 346 T HN 0.148 nan 8.240 nan 0.000 0.466 347 R N 1.355 121.544 120.500 -0.520 0.000 2.073 347 R HA 0.051 4.392 4.340 0.003 0.000 0.234 347 R C 2.294 178.220 176.300 -0.624 0.000 1.134 347 R CA 1.504 57.218 56.100 -0.644 0.000 0.952 347 R CB -1.296 28.296 30.300 -1.180 0.000 0.850 347 R HN 0.360 nan 8.270 nan 0.000 0.433 348 V N 0.878 120.300 119.914 -0.821 0.000 2.332 348 V HA -0.239 3.883 4.120 0.003 0.000 0.248 348 V C 2.317 178.147 176.094 -0.439 0.000 1.055 348 V CA 1.959 63.830 62.300 -0.715 0.000 1.038 348 V CB -0.467 30.684 31.823 -1.120 0.000 0.651 348 V HN 0.290 nan 8.190 nan 0.000 0.450 349 L N 0.166 121.069 121.223 -0.532 0.000 2.072 349 L HA -0.138 4.204 4.340 0.003 0.000 0.205 349 L C 2.560 179.095 176.870 -0.558 0.000 1.079 349 L CA 1.642 56.096 54.840 -0.642 0.000 0.752 349 L CB -0.801 40.625 42.059 -1.056 0.000 0.906 349 L HN 0.419 nan 8.230 nan 0.000 0.436 350 N N 0.259 118.762 118.700 -0.327 0.000 2.069 350 N HA -0.297 4.444 4.740 0.003 0.000 0.191 350 N C 2.080 177.492 175.510 -0.165 0.000 1.031 350 N CA 1.915 54.901 53.050 -0.107 0.000 0.852 350 N CB -0.164 38.262 38.487 -0.102 0.000 1.018 350 N HN 0.391 nan 8.380 nan 0.000 0.423 351 Y N 1.601 121.711 120.300 -0.317 0.000 2.181 351 Y HA -0.121 4.431 4.550 0.003 0.000 0.288 351 Y C 2.392 178.119 175.900 -0.288 0.000 1.146 351 Y CA 2.158 60.059 58.100 -0.331 0.000 1.164 351 Y CB -0.771 37.487 38.460 -0.336 0.000 0.982 351 Y HN -0.009 nan 8.280 nan 0.000 0.515 352 T N 1.118 115.440 114.554 -0.386 0.000 2.708 352 T HA -0.158 4.193 4.350 0.003 0.000 0.266 352 T C 1.714 176.184 174.700 -0.383 0.000 1.037 352 T CA 1.917 63.772 62.100 -0.409 0.000 1.146 352 T CB -0.174 68.590 68.868 -0.175 0.000 0.865 352 T HN 0.286 nan 8.240 nan 0.000 0.435 353 M N 1.468 120.891 119.600 -0.294 0.000 2.334 353 M HA 0.092 4.574 4.480 0.003 0.000 0.266 353 M C 2.463 178.645 176.300 -0.196 0.000 1.082 353 M CA 1.164 56.350 55.300 -0.191 0.000 1.141 353 M CB -1.625 30.953 32.600 -0.037 0.000 1.380 353 M HN 0.422 nan 8.290 nan 0.000 0.440 354 T N -3.640 110.772 114.554 -0.236 0.000 3.022 354 T HA 0.275 4.627 4.350 0.003 0.000 0.250 354 T C 1.518 176.015 174.700 -0.338 0.000 1.060 354 T CA 0.143 62.103 62.100 -0.233 0.000 1.013 354 T CB 0.135 68.897 68.868 -0.176 0.000 0.982 354 T HN 0.088 nan 8.240 nan 0.000 0.508 355 V N 0.442 120.072 119.914 -0.473 0.000 3.161 355 V HA 0.470 4.592 4.120 0.003 0.000 0.221 355 V C 2.847 178.642 176.094 -0.498 0.000 1.296 355 V CA 0.473 62.475 62.300 -0.498 0.000 1.306 355 V CB -0.581 30.803 31.823 -0.731 0.000 1.171 355 V HN 0.417 nan 8.190 nan 0.000 0.513 356 A N -0.010 122.347 122.820 -0.772 0.000 1.972 356 A HA -0.143 4.179 4.320 0.003 0.000 0.219 356 A C 2.015 179.417 177.584 -0.302 0.000 1.169 356 A CA 1.736 53.450 52.037 -0.540 0.000 0.635 356 A CB -0.466 18.183 19.000 -0.585 0.000 0.810 356 A HN 0.380 nan 8.150 nan 0.000 0.446 357 L N 0.014 121.053 121.223 -0.307 0.000 2.275 357 L HA -0.020 4.322 4.340 0.003 0.000 0.215 357 L C 2.164 178.906 176.870 -0.212 0.000 1.119 357 L CA 1.395 56.101 54.840 -0.223 0.000 0.790 357 L CB -0.699 41.233 42.059 -0.213 0.000 0.919 357 L HN 0.364 nan 8.230 nan 0.000 0.443 358 R N -0.276 120.053 120.500 -0.285 0.000 2.339 358 R HA 0.288 4.630 4.340 0.003 0.000 0.199 358 R C 0.592 176.792 176.300 -0.167 0.000 1.018 358 R CA 0.571 56.474 56.100 -0.329 0.000 1.036 358 R CB -0.288 29.580 30.300 -0.721 0.000 0.899 358 R HN 0.427 nan 8.270 nan 0.000 0.473 359 G N -0.467 108.284 108.800 -0.082 0.000 2.539 359 G HA2 -0.273 3.689 3.960 0.003 0.000 0.686 359 G HA3 -0.273 3.689 3.960 0.003 0.000 0.686 359 G C -0.253 174.703 174.900 0.092 0.000 1.258 359 G CA -0.545 44.572 45.100 0.027 0.000 0.846 359 G HN 0.099 nan 8.290 nan 0.000 0.647 360 Y N 0.622 120.937 120.300 0.026 0.000 2.053 360 Y HA -0.190 4.362 4.550 0.003 0.000 0.277 360 Y C 2.638 178.582 175.900 0.073 0.000 1.159 360 Y CA 2.968 61.095 58.100 0.045 0.000 1.125 360 Y CB 0.044 38.530 38.460 0.042 0.000 0.969 360 Y HN 0.608 nan 8.280 nan 0.000 0.492 361 D N -1.208 119.332 120.400 0.232 0.000 2.117 361 D HA -0.241 4.401 4.640 0.003 0.000 0.197 361 D C 1.947 178.292 176.300 0.076 0.000 0.987 361 D CA 1.676 55.770 54.000 0.158 0.000 0.829 361 D CB -0.891 40.005 40.800 0.161 0.000 0.961 361 D HN 0.496 nan 8.370 nan 0.000 0.460 362 Y N 1.508 121.803 120.300 -0.007 0.000 2.224 362 Y HA -0.151 4.401 4.550 0.003 0.000 0.289 362 Y C 2.266 178.141 175.900 -0.041 0.000 1.146 362 Y CA 1.596 59.682 58.100 -0.023 0.000 1.182 362 Y CB -0.205 38.228 38.460 -0.046 0.000 0.983 362 Y HN -0.050 nan 8.280 nan 0.000 0.524 363 A N 0.016 122.872 122.820 0.060 0.000 1.873 363 A HA -0.171 4.150 4.320 0.003 0.000 0.215 363 A C 2.119 179.623 177.584 -0.133 0.000 1.186 363 A CA 1.515 53.535 52.037 -0.027 0.000 0.616 363 A CB -0.653 18.271 19.000 -0.128 0.000 0.823 363 A HN 0.494 nan 8.150 nan 0.000 0.442 364 Q N -0.103 119.556 119.800 -0.236 0.000 2.045 364 Q HA -0.282 4.059 4.340 0.003 0.000 0.206 364 Q C 2.193 178.164 176.000 -0.047 0.000 0.991 364 Q CA 2.221 57.917 55.803 -0.178 0.000 0.851 364 Q CB -0.568 28.145 28.738 -0.043 0.000 0.911 364 Q HN 0.832 nan 8.270 nan 0.000 0.418 365 Q N -0.723 119.044 119.800 -0.054 0.000 2.084 365 Q HA -0.193 4.148 4.340 0.003 0.000 0.202 365 Q C 1.927 177.828 176.000 -0.165 0.000 0.978 365 Q CA 1.519 57.277 55.803 -0.075 0.000 0.844 365 Q CB -0.311 28.332 28.738 -0.159 0.000 0.898 365 Q HN 0.413 nan 8.270 nan 0.000 0.426 366 Y N 1.028 121.119 120.300 -0.348 0.000 2.181 366 Y HA -0.229 4.323 4.550 0.003 0.000 0.288 366 Y C 1.731 177.447 175.900 -0.306 0.000 1.146 366 Y CA 1.380 59.285 58.100 -0.325 0.000 1.164 366 Y CB -0.092 38.206 38.460 -0.270 0.000 0.982 366 Y HN 0.013 nan 8.280 nan 0.000 0.515 367 L N -1.349 119.598 121.223 -0.459 0.000 2.027 367 L HA -0.238 4.103 4.340 0.003 0.000 0.206 367 L C 2.219 178.695 176.870 -0.657 0.000 1.074 367 L CA 1.405 55.746 54.840 -0.832 0.000 0.745 367 L CB -0.820 40.236 42.059 -1.672 0.000 0.898 367 L HN 0.219 nan 8.230 nan 0.000 0.433 368 Y N 0.008 120.108 120.300 -0.334 0.000 2.207 368 Y HA -0.228 4.324 4.550 0.003 0.000 0.287 368 Y C 2.756 178.500 175.900 -0.260 0.000 1.156 368 Y CA 1.240 59.243 58.100 -0.161 0.000 1.182 368 Y CB -0.426 37.983 38.460 -0.085 0.000 0.979 368 Y HN 0.036 nan 8.280 nan 0.000 0.521 369 R N -0.497 119.875 120.500 -0.214 0.000 2.090 369 R HA -0.153 4.189 4.340 0.003 0.000 0.228 369 R C 2.384 178.442 176.300 -0.404 0.000 1.110 369 R CA 1.366 57.301 56.100 -0.275 0.000 0.973 369 R CB -0.380 29.754 30.300 -0.277 0.000 0.869 369 R HN 0.405 nan 8.270 nan 0.000 0.440 370 M N 0.978 120.190 119.600 -0.647 0.000 2.073 370 M HA -0.230 4.252 4.480 0.003 0.000 0.258 370 M C 1.916 177.865 176.300 -0.585 0.000 1.070 370 M CA 1.820 56.668 55.300 -0.754 0.000 1.103 370 M CB -0.117 31.975 32.600 -0.847 0.000 1.321 370 M HN 0.160 nan 8.290 nan 0.000 0.405 371 L N -0.261 120.775 121.223 -0.312 0.000 2.012 371 L HA -0.170 4.172 4.340 0.003 0.000 0.210 371 L C 2.696 179.487 176.870 -0.131 0.000 1.073 371 L CA 1.542 56.297 54.840 -0.142 0.000 0.748 371 L CB -1.553 40.441 42.059 -0.109 0.000 0.891 371 L HN 0.544 nan 8.230 nan 0.000 0.431 372 G N -0.334 108.368 108.800 -0.163 0.000 2.418 372 G HA2 -0.235 3.727 3.960 0.003 0.000 0.217 372 G HA3 -0.235 3.727 3.960 0.003 0.000 0.217 372 G C 1.759 176.648 174.900 -0.018 0.000 1.158 372 G CA 0.432 45.484 45.100 -0.080 0.000 0.771 372 G HN 0.298 nan 8.290 nan 0.000 0.545 373 R N -1.146 119.295 120.500 -0.098 0.000 2.115 373 R HA -0.001 4.341 4.340 0.003 0.000 0.226 373 R C 2.310 178.713 176.300 0.172 0.000 1.100 373 R CA 0.878 56.973 56.100 -0.008 0.000 0.980 373 R CB -0.330 29.904 30.300 -0.110 0.000 0.875 373 R HN 0.362 nan 8.270 nan 0.000 0.445 374 Y N 0.969 121.286 120.300 0.028 0.000 2.163 374 Y HA -0.090 4.461 4.550 0.003 0.000 0.288 374 Y C 2.347 178.262 175.900 0.024 0.000 1.136 374 Y CA 0.806 58.919 58.100 0.023 0.000 1.147 374 Y CB -0.498 37.948 38.460 -0.025 0.000 0.987 374 Y HN -0.049 nan 8.280 nan 0.000 0.509 375 R N -1.072 119.534 120.500 0.178 0.000 2.083 375 R HA -0.261 4.080 4.340 0.003 0.000 0.237 375 R C 2.229 178.585 176.300 0.093 0.000 1.137 375 R CA 2.015 58.172 56.100 0.096 0.000 0.951 375 R CB -0.995 29.352 30.300 0.079 0.000 0.851 375 R HN 0.426 nan 8.270 nan 0.000 0.434 376 Y N 1.739 122.057 120.300 0.030 0.000 2.128 376 Y HA -0.306 4.246 4.550 0.003 0.000 0.284 376 Y C 2.251 178.174 175.900 0.038 0.000 1.154 376 Y CA 1.820 59.938 58.100 0.030 0.000 1.149 376 Y CB -0.209 38.273 38.460 0.036 0.000 0.976 376 Y HN 0.073 nan 8.280 nan 0.000 0.505 377 Q N 0.067 119.943 119.800 0.126 0.000 2.050 377 Q HA -0.177 4.165 4.340 0.003 0.000 0.202 377 Q C 2.564 178.534 176.000 -0.050 0.000 0.980 377 Q CA 1.702 57.518 55.803 0.021 0.000 0.840 377 Q CB -0.446 28.399 28.738 0.179 0.000 0.898 377 Q HN 0.645 nan 8.270 nan 0.000 0.424 378 A N 0.755 123.570 122.820 -0.007 0.000 1.933 378 A HA -0.143 4.179 4.320 0.003 0.000 0.218 378 A C 2.221 179.763 177.584 -0.070 0.000 1.175 378 A CA 1.629 53.645 52.037 -0.035 0.000 0.628 378 A CB -0.767 18.216 19.000 -0.030 0.000 0.814 378 A HN 0.416 nan 8.150 nan 0.000 0.444 379 A N -0.496 122.259 122.820 -0.109 0.000 2.014 379 A HA 0.086 4.408 4.320 0.003 0.000 0.218 379 A C 2.078 179.622 177.584 -0.067 0.000 1.163 379 A CA 1.115 53.105 52.037 -0.078 0.000 0.652 379 A CB -0.470 18.445 19.000 -0.142 0.000 0.808 379 A HN 0.469 nan 8.150 nan 0.000 0.449 380 L N -0.400 120.719 121.223 -0.174 0.000 2.083 380 L HA -0.097 4.244 4.340 0.003 0.000 0.209 380 L C 2.098 178.917 176.870 -0.085 0.000 1.083 380 L CA 1.008 55.749 54.840 -0.166 0.000 0.752 380 L CB -0.938 40.970 42.059 -0.251 0.000 0.899 380 L HN 0.676 nan 8.230 nan 0.000 0.433 381 E N 0.000 120.156 120.200 -0.073 0.000 2.725 381 E HA 0.000 4.352 4.350 0.003 0.000 0.291 381 E CA 0.000 56.364 56.400 -0.060 0.000 0.976 381 E CB 0.000 29.651 29.700 -0.081 0.000 0.812 381 E HN 0.000 nan 8.360 nan 0.000 0.440