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 2bo8_1_F 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 DTLYTFVTVQ DATA SEQUENCE QGVSIYECYI PEGKAHRLYG GLDDLRTMLV ECFAAIQSLQ HEVVGQPAIH DATA SEQUENCE RQEHPHRVPV HIAERVGYDV EATLHRLMQH WTPRQVELLE LFTTPVREGL DATA SEQUENCE RTCQRRPAFN FMDEMAWAAT YHVLLEHFQP GDPDWEELLF KLWTTRVLNY DATA SEQUENCE TMTVALRGYD YAQQYLYRML GRYRYQAALE N 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 0.000 174.461 174.600 -0.232 0.000 1.055 2 S CA 0.000 58.195 58.200 -0.008 0.000 1.107 2 S CB 0.000 63.258 63.200 0.097 0.000 0.593 3 L N 2.356 123.524 121.223 -0.090 0.000 2.289 3 L HA 0.800 5.140 4.340 -0.000 0.000 0.285 3 L C -1.116 175.666 176.870 -0.147 0.000 1.049 3 L CA -0.181 54.590 54.840 -0.115 0.000 0.804 3 L CB 1.142 43.262 42.059 0.102 0.000 1.195 3 L HN 0.520 nan 8.230 nan 0.000 0.428 4 V N 5.949 125.757 119.914 -0.176 0.000 2.417 4 V HA 0.548 4.668 4.120 -0.000 0.000 0.291 4 V C -0.437 175.443 176.094 -0.356 0.000 1.024 4 V CA -0.619 61.528 62.300 -0.255 0.000 0.861 4 V CB 1.826 33.503 31.823 -0.244 0.000 0.985 4 V HN 0.562 nan 8.190 nan 0.000 0.436 5 V N 5.425 125.015 119.914 -0.541 0.000 2.495 5 V HA 0.536 4.656 4.120 -0.000 0.000 0.298 5 V C -0.865 174.945 176.094 -0.473 0.000 1.031 5 V CA -0.519 61.510 62.300 -0.452 0.000 0.871 5 V CB 1.715 33.176 31.823 -0.604 0.000 0.988 5 V HN 0.699 nan 8.190 nan 0.000 0.432 6 F N 6.304 126.284 119.950 0.049 0.000 2.347 6 F HA 0.490 5.017 4.527 -0.000 0.000 0.366 6 F C -2.201 173.730 175.800 0.217 0.000 1.107 6 F CA -2.441 55.629 58.000 0.118 0.000 1.058 6 F CB 1.966 40.987 39.000 0.036 0.000 1.236 6 F HN 0.290 nan 8.300 nan 0.000 0.456 7 P HA 0.242 nan 4.420 nan 0.000 0.287 7 P C -1.103 176.377 177.300 0.298 0.000 1.281 7 P CA -0.237 63.024 63.100 0.268 0.000 0.781 7 P CB 0.752 32.576 31.700 0.206 0.000 0.903 8 F N 1.528 121.543 119.950 0.109 0.000 2.565 8 F HA 0.685 5.212 4.527 -0.000 0.000 0.313 8 F C 0.558 176.374 175.800 0.028 0.000 1.091 8 F CA -1.151 56.889 58.000 0.067 0.000 0.915 8 F CB 1.930 40.964 39.000 0.057 0.000 1.208 8 F HN 0.175 nan 8.300 nan 0.000 0.453 9 K N 0.231 120.648 120.400 0.027 0.000 2.409 9 K HA 0.291 4.611 4.320 -0.000 0.000 0.237 9 K C -0.486 176.008 176.600 -0.177 0.000 1.083 9 K CA -0.183 55.960 56.287 -0.240 0.000 0.914 9 K CB 0.229 32.449 32.500 -0.466 0.000 1.300 9 K HN 0.745 nan 8.250 nan 0.000 0.454 10 H N 1.217 120.348 119.070 0.103 0.000 2.762 10 H HA 0.409 4.965 4.556 -0.000 0.000 0.310 10 H C -1.121 174.225 175.328 0.031 0.000 1.004 10 H CA -0.418 55.678 56.048 0.081 0.000 1.267 10 H CB 1.568 31.337 29.762 0.012 0.000 1.437 10 H HN 0.290 nan 8.280 nan 0.000 0.498 11 E N 0.654 120.926 120.200 0.121 0.000 2.433 11 E HA 0.275 4.625 4.350 -0.000 0.000 0.273 11 E C -0.913 175.607 176.600 -0.133 0.000 0.950 11 E CA -0.873 55.508 56.400 -0.031 0.000 0.796 11 E CB 1.629 31.350 29.700 0.035 0.000 1.330 11 E HN 0.524 nan 8.360 nan 0.000 0.455 12 H N 1.675 120.754 119.070 0.015 0.000 2.975 12 H HA 0.067 4.623 4.556 -0.000 0.000 0.303 12 H C -1.659 173.630 175.328 -0.066 0.000 1.023 12 H CA -1.125 54.912 56.048 -0.019 0.000 1.473 12 H CB 0.524 30.272 29.762 -0.023 0.000 1.498 12 H HN 0.323 nan 8.280 nan 0.000 0.549 13 P HA -0.221 nan 4.420 nan 0.000 0.216 13 P C 0.862 178.121 177.300 -0.069 0.000 1.153 13 P CA 1.362 64.423 63.100 -0.066 0.000 0.858 13 P CB 0.363 32.036 31.700 -0.045 0.000 0.789 14 E N -0.754 119.432 120.200 -0.024 0.000 2.150 14 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 14 E C 1.963 178.535 176.600 -0.046 0.000 0.985 14 E CA 0.753 57.127 56.400 -0.043 0.000 0.814 14 E CB -1.540 28.131 29.700 -0.049 0.000 0.752 14 E HN 0.077 nan 8.360 nan 0.000 0.466 15 V N 1.000 120.896 119.914 -0.031 0.000 2.261 15 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 15 V C 2.184 178.214 176.094 -0.108 0.000 1.047 15 V CA 1.661 63.938 62.300 -0.038 0.000 1.015 15 V CB -0.552 31.276 31.823 0.009 0.000 0.642 15 V HN 0.224 nan 8.190 nan 0.000 0.446 16 L N -0.351 120.766 121.223 -0.177 0.000 2.027 16 L HA -0.083 4.257 4.340 -0.000 0.000 0.206 16 L C 2.198 178.832 176.870 -0.393 0.000 1.074 16 L CA 1.770 56.401 54.840 -0.349 0.000 0.745 16 L CB -0.615 41.223 42.059 -0.370 0.000 0.898 16 L HN 0.180 nan 8.230 nan 0.000 0.433 17 L N -0.769 120.300 121.223 -0.256 0.000 2.079 17 L HA -0.276 4.064 4.340 -0.000 0.000 0.210 17 L C 2.709 179.478 176.870 -0.167 0.000 1.081 17 L CA 1.691 56.405 54.840 -0.211 0.000 0.752 17 L CB -0.956 41.021 42.059 -0.137 0.000 0.896 17 L HN 0.558 nan 8.230 nan 0.000 0.433 18 H N 0.625 119.572 119.070 -0.205 0.000 2.293 18 H HA -0.172 4.384 4.556 -0.000 0.000 0.300 18 H C 1.966 177.186 175.328 -0.181 0.000 1.082 18 H CA 1.919 57.870 56.048 -0.160 0.000 1.308 18 H CB 0.233 29.918 29.762 -0.128 0.000 1.375 18 H HN 0.359 nan 8.280 nan 0.000 0.495 19 N N 0.580 119.031 118.700 -0.416 0.000 2.069 19 N HA -0.142 4.598 4.740 -0.000 0.000 0.191 19 N C 2.263 177.469 175.510 -0.508 0.000 1.031 19 N CA 1.229 53.940 53.050 -0.566 0.000 0.852 19 N CB -0.682 37.218 38.487 -0.978 0.000 1.018 19 N HN 0.178 nan 8.380 nan 0.000 0.423 20 V N 1.314 120.859 119.914 -0.614 0.000 2.282 20 V HA -0.248 3.872 4.120 -0.000 0.000 0.249 20 V C 2.524 178.544 176.094 -0.123 0.000 1.057 20 V CA 1.627 63.749 62.300 -0.295 0.000 1.032 20 V CB -0.432 31.227 31.823 -0.273 0.000 0.645 20 V HN 0.215 nan 8.190 nan 0.000 0.447 21 R N -0.426 119.971 120.500 -0.172 0.000 2.091 21 R HA -0.138 4.202 4.340 -0.000 0.000 0.238 21 R C 2.138 178.373 176.300 -0.109 0.000 1.136 21 R CA 1.646 57.672 56.100 -0.122 0.000 0.959 21 R CB -0.620 29.604 30.300 -0.126 0.000 0.856 21 R HN 0.398 nan 8.270 nan 0.000 0.437 22 V N 0.369 120.185 119.914 -0.162 0.000 2.261 22 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 22 V C 2.311 178.414 176.094 0.016 0.000 1.047 22 V CA 2.012 64.245 62.300 -0.112 0.000 1.015 22 V CB -0.853 30.871 31.823 -0.165 0.000 0.642 22 V HN 0.545 nan 8.190 nan 0.000 0.446 23 A N 0.077 122.978 122.820 0.136 0.000 1.865 23 A HA -0.204 4.115 4.320 -0.000 0.000 0.217 23 A C 2.421 180.033 177.584 0.047 0.000 1.191 23 A CA 2.448 54.563 52.037 0.130 0.000 0.623 23 A CB -0.998 18.140 19.000 0.230 0.000 0.826 23 A HN 0.621 nan 8.150 nan 0.000 0.444 24 A N -0.490 122.347 122.820 0.028 0.000 1.978 24 A HA 0.164 4.484 4.320 -0.000 0.000 0.220 24 A C 2.374 179.955 177.584 -0.006 0.000 1.170 24 A CA 2.019 54.056 52.037 0.001 0.000 0.636 24 A CB -0.808 18.189 19.000 -0.005 0.000 0.810 24 A HN 1.132 nan 8.150 nan 0.000 0.448 25 A N -1.687 121.129 122.820 -0.007 0.000 2.119 25 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 25 A C 1.243 178.811 177.584 -0.026 0.000 1.152 25 A CA 0.269 52.292 52.037 -0.024 0.000 0.708 25 A CB -0.549 18.425 19.000 -0.043 0.000 0.805 25 A HN 0.613 nan 8.150 nan 0.000 0.460 26 H N 0.577 119.594 119.070 -0.089 0.000 2.803 26 H HA 0.141 4.697 4.556 -0.000 0.000 0.330 26 H C -1.797 173.464 175.328 -0.112 0.000 1.057 26 H CA -1.539 54.450 56.048 -0.100 0.000 1.458 26 H CB 1.220 30.912 29.762 -0.118 0.000 1.470 26 H HN 0.040 nan 8.280 nan 0.000 0.560 27 P HA -0.074 nan 4.420 nan 0.000 0.221 27 P C 0.832 178.138 177.300 0.010 0.000 1.145 27 P CA 1.276 64.349 63.100 -0.046 0.000 0.795 27 P CB 0.226 31.866 31.700 -0.100 0.000 0.775 28 R N -1.305 119.314 120.500 0.198 0.000 2.362 28 R HA 0.185 4.525 4.340 -0.000 0.000 0.227 28 R C -0.114 175.963 176.300 -0.372 0.000 0.905 28 R CA -0.040 56.023 56.100 -0.062 0.000 1.067 28 R CB 0.438 30.782 30.300 0.073 0.000 1.078 28 R HN 0.059 nan 8.270 nan 0.000 0.516 29 V N 1.734 121.453 119.914 -0.326 0.000 2.383 29 V HA 0.094 4.214 4.120 -0.000 0.000 0.275 29 V C 0.667 176.452 176.094 -0.514 0.000 1.036 29 V CA -0.363 61.701 62.300 -0.394 0.000 0.889 29 V CB 1.330 33.019 31.823 -0.225 0.000 0.985 29 V HN 0.287 nan 8.190 nan 0.000 0.459 30 H N 2.856 121.666 119.070 -0.433 0.000 2.750 30 H HA 0.377 4.933 4.556 -0.000 0.000 0.263 30 H C 0.486 175.505 175.328 -0.515 0.000 0.964 30 H CA 0.212 55.894 56.048 -0.611 0.000 1.205 30 H CB 1.260 30.252 29.762 -1.283 0.000 1.454 30 H HN 0.699 nan 8.280 nan 0.000 0.503 31 E N 0.571 120.566 120.200 -0.341 0.000 2.363 31 E HA 0.370 4.720 4.350 -0.000 0.000 0.281 31 E C -1.667 174.907 176.600 -0.044 0.000 0.953 31 E CA -0.434 55.922 56.400 -0.074 0.000 0.778 31 E CB 2.532 32.330 29.700 0.163 0.000 1.220 31 E HN -0.172 nan 8.360 nan 0.000 0.431 32 V N 3.977 123.904 119.914 0.022 0.000 2.459 32 V HA 0.524 4.644 4.120 -0.000 0.000 0.295 32 V C -0.663 175.460 176.094 0.049 0.000 1.029 32 V CA -0.796 61.526 62.300 0.036 0.000 0.874 32 V CB 1.438 33.311 31.823 0.083 0.000 0.985 32 V HN 0.568 nan 8.190 nan 0.000 0.438 33 L N 5.340 126.579 121.223 0.027 0.000 2.381 33 L HA 0.702 5.042 4.340 -0.000 0.000 0.274 33 L C -0.670 176.247 176.870 0.078 0.000 0.988 33 L CA 0.145 54.978 54.840 -0.012 0.000 0.824 33 L CB 1.499 43.494 42.059 -0.106 0.000 1.263 33 L HN 0.770 nan 8.230 nan 0.000 0.410 34 C N 5.956 125.319 119.300 0.104 0.000 2.281 34 C HA 0.581 5.041 4.460 -0.000 0.000 0.325 34 C C -0.075 175.066 174.990 0.251 0.000 1.282 34 C CA -1.005 58.173 59.018 0.268 0.000 1.640 34 C CB 0.334 28.227 27.740 0.254 0.000 2.288 34 C HN 0.498 nan 8.230 nan 0.000 0.507 35 I N 3.724 124.422 120.570 0.214 0.000 2.307 35 I HA 0.356 4.526 4.170 -0.000 0.000 0.289 35 I C 0.873 176.784 176.117 -0.344 0.000 1.021 35 I CA 0.554 61.867 61.300 0.022 0.000 1.224 35 I CB 0.655 38.686 38.000 0.052 0.000 1.376 35 I HN 0.878 nan 8.210 nan 0.000 0.470 36 G N 4.398 112.903 108.800 -0.491 0.000 2.389 36 G HA2 0.219 4.179 3.960 -0.000 0.000 0.317 36 G HA3 0.219 4.179 3.960 -0.000 0.000 0.317 36 G C 0.153 174.822 174.900 -0.385 0.000 1.137 36 G CA -0.273 44.223 45.100 -1.006 0.000 0.870 36 G HN 0.611 nan 8.290 nan 0.000 0.496 37 Y N 0.813 120.817 120.300 -0.492 0.000 2.153 37 Y HA 0.074 4.624 4.550 -0.000 0.000 0.289 37 Y C 1.300 177.080 175.900 -0.199 0.000 1.127 37 Y CA 1.868 59.791 58.100 -0.294 0.000 1.131 37 Y CB 0.333 38.604 38.460 -0.316 0.000 0.995 37 Y HN 0.637 nan 8.280 nan 0.000 0.505 38 E N -0.464 119.688 120.200 -0.080 0.000 2.446 38 E HA 0.254 4.604 4.350 -0.000 0.000 0.276 38 E C -1.018 175.519 176.600 -0.105 0.000 0.969 38 E CA -1.106 55.204 56.400 -0.149 0.000 0.800 38 E CB 1.076 30.748 29.700 -0.047 0.000 1.341 38 E HN 0.064 nan 8.360 nan 0.000 0.460 39 R N 1.582 121.930 120.500 -0.253 0.000 3.688 39 R HA 0.055 4.394 4.340 -0.000 0.000 0.194 39 R C -0.504 175.794 176.300 -0.005 0.000 1.677 39 R CA 0.154 56.050 56.100 -0.340 0.000 1.351 39 R CB -0.513 29.542 30.300 -0.409 0.000 1.338 39 R HN 0.416 nan 8.270 nan 0.000 0.731 40 D N -0.510 119.997 120.400 0.179 0.000 2.539 40 D HA 0.006 4.646 4.640 -0.000 0.000 0.280 40 D C 0.791 177.218 176.300 0.212 0.000 1.208 40 D CA -0.428 53.695 54.000 0.206 0.000 1.088 40 D CB 0.381 41.353 40.800 0.287 0.000 1.149 40 D HN -0.015 nan 8.370 nan 0.000 0.596 41 Q N -0.339 119.557 119.800 0.160 0.000 1.998 41 Q HA -0.168 4.172 4.340 -0.000 0.000 0.209 41 Q C 2.194 178.266 176.000 0.119 0.000 1.002 41 Q CA 2.640 58.513 55.803 0.116 0.000 0.858 41 Q CB -1.496 27.289 28.738 0.077 0.000 0.932 41 Q HN 0.699 nan 8.270 nan 0.000 0.416 42 T N 0.994 115.624 114.554 0.126 0.000 2.624 42 T HA -0.251 4.099 4.350 -0.000 0.000 0.268 42 T C 1.715 176.415 174.700 0.001 0.000 1.041 42 T CA 1.840 63.949 62.100 0.015 0.000 1.159 42 T CB -0.873 67.997 68.868 0.003 0.000 0.863 42 T HN 0.309 nan 8.240 nan 0.000 0.434 43 Y N 1.751 122.139 120.300 0.148 0.000 2.069 43 Y HA -0.254 4.296 4.550 -0.000 0.000 0.278 43 Y C 2.615 178.560 175.900 0.074 0.000 1.175 43 Y CA 2.069 60.297 58.100 0.213 0.000 1.134 43 Y CB -0.366 38.271 38.460 0.294 0.000 0.965 43 Y HN 0.203 nan 8.280 nan 0.000 0.498 44 E N -0.374 119.998 120.200 0.287 0.000 2.077 44 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 44 E C 2.273 178.903 176.600 0.049 0.000 0.989 44 E CA 1.265 57.772 56.400 0.178 0.000 0.800 44 E CB -0.446 29.339 29.700 0.142 0.000 0.746 44 E HN 0.540 nan 8.360 nan 0.000 0.452 45 A N -0.015 122.809 122.820 0.006 0.000 1.851 45 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 45 A C 2.450 179.977 177.584 -0.095 0.000 1.195 45 A CA 1.821 53.831 52.037 -0.045 0.000 0.622 45 A CB -0.973 17.990 19.000 -0.060 0.000 0.831 45 A HN 0.175 nan 8.150 nan 0.000 0.444 46 V N 0.040 119.850 119.914 -0.174 0.000 2.287 46 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 46 V C 2.528 178.523 176.094 -0.165 0.000 1.053 46 V CA 2.471 64.639 62.300 -0.220 0.000 1.027 46 V CB -0.888 30.722 31.823 -0.355 0.000 0.646 46 V HN 0.746 nan 8.190 nan 0.000 0.447 47 E N -0.153 119.950 120.200 -0.162 0.000 2.085 47 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 47 E C 2.503 179.079 176.600 -0.041 0.000 0.994 47 E CA 1.299 57.640 56.400 -0.099 0.000 0.801 47 E CB -0.062 29.616 29.700 -0.037 0.000 0.743 47 E HN 0.458 nan 8.360 nan 0.000 0.453 48 R N -0.405 120.079 120.500 -0.027 0.000 2.073 48 R HA -0.118 4.222 4.340 -0.000 0.000 0.234 48 R C 2.289 178.573 176.300 -0.027 0.000 1.134 48 R CA 1.264 57.355 56.100 -0.015 0.000 0.952 48 R CB -0.197 30.099 30.300 -0.007 0.000 0.850 48 R HN 0.163 nan 8.270 nan 0.000 0.433 49 A N 0.651 123.442 122.820 -0.047 0.000 1.897 49 A HA -0.038 4.282 4.320 -0.000 0.000 0.215 49 A C 2.296 179.852 177.584 -0.046 0.000 1.181 49 A CA 1.356 53.363 52.037 -0.050 0.000 0.620 49 A CB -0.633 18.325 19.000 -0.070 0.000 0.821 49 A HN 0.428 nan 8.150 nan 0.000 0.443 50 A N 0.745 123.532 122.820 -0.056 0.000 1.881 50 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 50 A C 0.279 177.852 177.584 -0.018 0.000 1.215 50 A CA 2.338 54.350 52.037 -0.043 0.000 0.648 50 A CB -1.967 17.003 19.000 -0.049 0.000 0.832 50 A HN 0.460 nan 8.150 nan 0.000 0.455 51 P HA -0.162 nan 4.420 nan 0.000 0.216 51 P C 1.546 178.847 177.300 0.003 0.000 1.150 51 P CA 1.382 64.484 63.100 0.004 0.000 0.837 51 P CB -0.055 31.650 31.700 0.007 0.000 0.786 52 E N 0.162 120.359 120.200 -0.005 0.000 2.017 52 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 52 E C 2.028 178.623 176.600 -0.007 0.000 0.997 52 E CA 1.285 57.681 56.400 -0.006 0.000 0.804 52 E CB -0.858 28.835 29.700 -0.011 0.000 0.757 52 E HN 0.162 nan 8.360 nan 0.000 0.448 53 I N 1.339 121.900 120.570 -0.016 0.000 2.151 53 I HA -0.350 3.820 4.170 -0.000 0.000 0.243 53 I C 2.542 178.655 176.117 -0.006 0.000 1.080 53 I CA 1.740 63.029 61.300 -0.018 0.000 1.339 53 I CB -0.436 37.544 38.000 -0.032 0.000 1.039 53 I HN 0.102 nan 8.210 nan 0.000 0.409 54 S N 0.529 116.230 115.700 0.002 0.000 2.382 54 S HA -0.228 4.242 4.470 -0.000 0.000 0.228 54 S C 2.028 176.640 174.600 0.020 0.000 1.027 54 S CA 1.013 59.223 58.200 0.017 0.000 0.991 54 S CB -0.536 62.682 63.200 0.030 0.000 0.823 54 S HN 0.423 nan 8.310 nan 0.000 0.469 55 R N 1.572 122.081 120.500 0.015 0.000 2.075 55 R HA 0.029 4.369 4.340 -0.000 0.000 0.232 55 R C 2.484 178.790 176.300 0.011 0.000 1.126 55 R CA 1.200 57.309 56.100 0.016 0.000 0.963 55 R CB -0.646 29.662 30.300 0.013 0.000 0.858 55 R HN 0.482 nan 8.270 nan 0.000 0.435 56 A N -0.019 122.803 122.820 0.004 0.000 1.933 56 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 56 A C 2.003 179.587 177.584 0.000 0.000 1.175 56 A CA 2.043 54.080 52.037 0.000 0.000 0.628 56 A CB -0.483 18.513 19.000 -0.006 0.000 0.814 56 A HN 0.605 nan 8.150 nan 0.000 0.444 57 T N -5.650 108.905 114.554 0.002 0.000 3.001 57 T HA 0.417 4.767 4.350 -0.000 0.000 0.251 57 T C 1.438 176.145 174.700 0.012 0.000 1.040 57 T CA 1.075 63.176 62.100 0.001 0.000 0.985 57 T CB 0.247 69.112 68.868 -0.004 0.000 1.011 57 T HN 1.660 nan 8.240 nan 0.000 0.509 58 G N 2.021 110.834 108.800 0.022 0.000 2.175 58 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.265 58 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.265 58 G C 0.249 175.179 174.900 0.050 0.000 0.979 58 G CA 0.680 45.802 45.100 0.037 0.000 0.663 58 G HN 1.335 nan 8.290 nan 0.000 0.533 59 T N -0.906 113.670 114.554 0.038 0.000 2.812 59 T HA 0.683 5.033 4.350 -0.000 0.000 0.282 59 T C -2.466 172.265 174.700 0.051 0.000 0.990 59 T CA -1.835 60.292 62.100 0.045 0.000 0.960 59 T CB 3.309 72.181 68.868 0.006 0.000 0.948 59 T HN 0.092 nan 8.240 nan 0.000 0.438 60 P HA 0.235 nan 4.420 nan 0.000 0.264 60 P C -0.721 176.626 177.300 0.079 0.000 1.193 60 P CA -0.274 62.884 63.100 0.097 0.000 0.763 60 P CB 0.699 32.494 31.700 0.157 0.000 0.810 61 V N 3.355 123.301 119.914 0.053 0.000 2.540 61 V HA 0.520 4.640 4.120 -0.000 0.000 0.302 61 V C 0.287 176.392 176.094 0.018 0.000 1.035 61 V CA -0.302 62.017 62.300 0.031 0.000 0.873 61 V CB 1.784 33.609 31.823 0.004 0.000 0.992 61 V HN 0.789 nan 8.190 nan 0.000 0.428 62 S N 3.251 118.952 115.700 0.002 0.000 2.588 62 S HA 0.896 5.366 4.470 -0.000 0.000 0.275 62 S C -1.046 173.514 174.600 -0.066 0.000 1.130 62 S CA -0.825 57.358 58.200 -0.028 0.000 0.855 62 S CB 2.032 65.222 63.200 -0.018 0.000 1.116 62 S HN 0.508 nan 8.310 nan 0.000 0.472 63 V N 0.965 120.823 119.914 -0.095 0.000 2.715 63 V HA 0.765 4.885 4.120 -0.000 0.000 0.310 63 V C -0.236 175.837 176.094 -0.036 0.000 1.054 63 V CA -0.867 61.350 62.300 -0.138 0.000 0.928 63 V CB 1.395 32.947 31.823 -0.453 0.000 1.007 63 V HN 0.994 nan 8.190 nan 0.000 0.437 64 R N 2.504 123.044 120.500 0.066 0.000 2.668 64 R HA 0.563 4.903 4.340 -0.000 0.000 0.272 64 R C -1.708 174.748 176.300 0.261 0.000 1.019 64 R CA -0.993 55.213 56.100 0.176 0.000 0.894 64 R CB 1.735 32.054 30.300 0.030 0.000 1.228 64 R HN 0.396 nan 8.270 nan 0.000 0.460 65 L N 2.977 124.333 121.223 0.222 0.000 2.461 65 L HA 0.061 4.401 4.340 -0.000 0.000 0.272 65 L C 0.874 177.741 176.870 -0.006 0.000 1.197 65 L CA 0.294 55.158 54.840 0.039 0.000 0.836 65 L CB 0.300 42.310 42.059 -0.083 0.000 1.105 65 L HN 0.673 nan 8.230 nan 0.000 0.477 66 Q N 1.462 121.225 119.800 -0.061 0.000 2.392 66 Q HA 0.195 4.534 4.340 -0.000 0.000 0.262 66 Q C -0.714 175.261 176.000 -0.041 0.000 1.003 66 Q CA -0.218 55.561 55.803 -0.040 0.000 0.888 66 Q CB 0.733 29.436 28.738 -0.059 0.000 1.260 66 Q HN 0.505 nan 8.270 nan 0.000 0.435 67 E N 0.858 121.061 120.200 0.005 0.000 2.248 67 E HA 0.241 4.591 4.350 -0.000 0.000 0.272 67 E C -0.836 175.764 176.600 0.001 0.000 1.008 67 E CA -0.932 55.473 56.400 0.009 0.000 0.856 67 E CB 1.109 30.840 29.700 0.052 0.000 1.120 67 E HN 0.441 nan 8.360 nan 0.000 0.397 68 R N 2.704 123.198 120.500 -0.011 0.000 2.272 68 R HA 0.115 4.455 4.340 -0.000 0.000 0.334 68 R C -0.220 176.088 176.300 0.013 0.000 1.117 68 R CA 0.361 56.453 56.100 -0.013 0.000 0.966 68 R CB -0.235 30.048 30.300 -0.028 0.000 1.049 68 R HN 0.615 nan 8.270 nan 0.000 0.477 69 L N 2.547 123.785 121.223 0.026 0.000 2.609 69 L HA 0.425 4.765 4.340 -0.000 0.000 0.230 69 L C 1.267 178.144 176.870 0.013 0.000 1.064 69 L CA 0.105 54.969 54.840 0.041 0.000 0.873 69 L CB 0.373 42.491 42.059 0.100 0.000 1.139 69 L HN 0.719 nan 8.230 nan 0.000 0.490 70 G N -0.240 108.562 108.800 0.003 0.000 2.671 70 G HA2 0.395 4.355 3.960 -0.000 0.000 0.275 70 G HA3 0.395 4.355 3.960 -0.000 0.000 0.275 70 G C 0.519 175.410 174.900 -0.015 0.000 1.368 70 G CA 0.628 45.721 45.100 -0.011 0.000 1.044 70 G HN 0.087 nan 8.290 nan 0.000 0.543 71 T N -2.604 111.939 114.554 -0.018 0.000 3.087 71 T HA 0.367 4.716 4.350 -0.000 0.000 0.283 71 T C 0.481 175.172 174.700 -0.015 0.000 0.956 71 T CA -0.217 61.873 62.100 -0.016 0.000 0.894 71 T CB 0.052 68.911 68.868 -0.016 0.000 1.160 71 T HN 0.138 nan 8.240 nan 0.000 0.532 72 L N 1.416 122.628 121.223 -0.018 0.000 2.970 72 L HA 0.562 4.902 4.340 -0.000 0.000 0.214 72 L C 0.948 177.808 176.870 -0.016 0.000 1.317 72 L CA -1.293 53.538 54.840 -0.014 0.000 1.187 72 L CB 0.044 42.094 42.059 -0.015 0.000 2.155 72 L HN 0.199 nan 8.230 nan 0.000 0.554 73 R N 2.119 122.611 120.500 -0.015 0.000 2.538 73 R HA 0.055 4.395 4.340 -0.000 0.000 0.282 73 R C -2.208 174.070 176.300 -0.036 0.000 1.009 73 R CA -1.075 55.014 56.100 -0.019 0.000 1.063 73 R CB 0.146 30.434 30.300 -0.019 0.000 0.945 73 R HN 0.252 nan 8.270 nan 0.000 0.414 74 P HA 0.108 nan 4.420 nan 0.000 0.269 74 P C -0.623 176.685 177.300 0.013 0.000 1.263 74 P CA 0.126 63.217 63.100 -0.014 0.000 0.813 74 P CB 1.305 32.992 31.700 -0.021 0.000 0.868 75 G N 2.990 111.741 108.800 -0.081 0.000 3.039 75 G HA2 0.155 4.115 3.960 -0.000 0.000 0.202 75 G HA3 0.155 4.115 3.960 -0.000 0.000 0.202 75 G C 0.583 175.337 174.900 -0.244 0.000 1.151 75 G CA -0.348 44.620 45.100 -0.221 0.000 0.836 75 G HN 0.282 nan 8.290 nan 0.000 0.598 76 K N -0.161 119.978 120.400 -0.436 0.000 2.097 76 K HA -0.036 4.284 4.320 -0.000 0.000 0.206 76 K C 2.352 178.851 176.600 -0.168 0.000 1.049 76 K CA 1.712 57.815 56.287 -0.307 0.000 0.933 76 K CB -0.785 31.492 32.500 -0.370 0.000 0.717 76 K HN 0.416 nan 8.250 nan 0.000 0.442 77 G N 1.487 110.183 108.800 -0.174 0.000 2.491 77 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.218 77 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.218 77 G C 1.075 175.950 174.900 -0.041 0.000 1.180 77 G CA 1.332 46.357 45.100 -0.125 0.000 0.774 77 G HN 0.334 nan 8.290 nan 0.000 0.562 78 D N 0.511 120.889 120.400 -0.037 0.000 2.149 78 D HA -0.071 4.569 4.640 -0.000 0.000 0.198 78 D C 2.626 178.945 176.300 0.032 0.000 0.990 78 D CA 1.283 55.287 54.000 0.006 0.000 0.839 78 D CB -0.790 39.999 40.800 -0.018 0.000 0.948 78 D HN 0.314 nan 8.370 nan 0.000 0.460 79 G N 0.478 109.281 108.800 0.005 0.000 2.459 79 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 79 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 79 G C 1.663 176.640 174.900 0.129 0.000 1.183 79 G CA 0.790 45.911 45.100 0.035 0.000 0.776 79 G HN 0.218 nan 8.290 nan 0.000 0.552 80 M N 0.225 119.897 119.600 0.119 0.000 2.132 80 M HA -0.028 4.452 4.480 -0.000 0.000 0.263 80 M C 2.385 178.878 176.300 0.321 0.000 1.065 80 M CA 1.267 56.691 55.300 0.208 0.000 1.122 80 M CB -0.468 32.098 32.600 -0.056 0.000 1.365 80 M HN 0.277 nan 8.290 nan 0.000 0.411 81 N N -0.496 118.360 118.700 0.260 0.000 2.244 81 N HA -0.108 4.632 4.740 -0.000 0.000 0.183 81 N C 1.472 177.164 175.510 0.304 0.000 1.016 81 N CA 1.476 54.732 53.050 0.344 0.000 0.866 81 N CB -0.038 38.635 38.487 0.310 0.000 0.980 81 N HN 0.292 nan 8.380 nan 0.000 0.430 82 T N 0.707 115.395 114.554 0.223 0.000 2.720 82 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 82 T C 2.072 176.889 174.700 0.195 0.000 1.037 82 T CA 1.278 63.486 62.100 0.179 0.000 1.144 82 T CB -0.334 68.607 68.868 0.122 0.000 0.864 82 T HN 0.328 nan 8.240 nan 0.000 0.444 83 A N 1.413 124.378 122.820 0.243 0.000 1.883 83 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 83 A C 2.204 179.955 177.584 0.279 0.000 1.186 83 A CA 1.249 53.441 52.037 0.258 0.000 0.624 83 A CB -0.922 18.250 19.000 0.287 0.000 0.822 83 A HN 0.328 nan 8.150 nan 0.000 0.444 84 L N -0.207 121.194 121.223 0.297 0.000 1.997 84 L HA -0.220 4.120 4.340 -0.000 0.000 0.216 84 L C 2.605 179.402 176.870 -0.122 0.000 1.074 84 L CA 2.360 57.312 54.840 0.185 0.000 0.763 84 L CB -0.998 41.197 42.059 0.225 0.000 0.890 84 L HN 0.502 nan 8.230 nan 0.000 0.434 85 R N -1.833 118.452 120.500 -0.359 0.000 2.083 85 R HA -0.261 4.079 4.340 -0.000 0.000 0.237 85 R C 2.445 178.672 176.300 -0.122 0.000 1.137 85 R CA 1.977 57.775 56.100 -0.503 0.000 0.951 85 R CB -0.610 29.543 30.300 -0.244 0.000 0.851 85 R HN 0.372 nan 8.270 nan 0.000 0.434 86 Y N 0.532 120.809 120.300 -0.038 0.000 2.081 86 Y HA -0.328 4.222 4.550 -0.000 0.000 0.280 86 Y C 2.024 177.968 175.900 0.072 0.000 1.163 86 Y CA 2.147 60.267 58.100 0.032 0.000 1.135 86 Y CB -0.771 37.737 38.460 0.081 0.000 0.970 86 Y HN 0.147 nan 8.280 nan 0.000 0.498 87 F N 0.457 120.425 119.950 0.029 0.000 2.063 87 F HA -0.315 4.212 4.527 -0.000 0.000 0.298 87 F C 1.937 177.653 175.800 -0.141 0.000 1.109 87 F CA 2.197 60.187 58.000 -0.017 0.000 1.212 87 F CB -0.921 38.109 39.000 0.051 0.000 0.973 87 F HN 0.109 nan 8.300 nan 0.000 0.480 88 L N -0.416 120.633 121.223 -0.290 0.000 2.044 88 L HA -0.128 4.212 4.340 -0.000 0.000 0.205 88 L C 2.245 178.914 176.870 -0.335 0.000 1.075 88 L CA 1.660 56.253 54.840 -0.410 0.000 0.747 88 L CB -0.644 41.261 42.059 -0.256 0.000 0.903 88 L HN 0.131 nan 8.230 nan 0.000 0.435 89 E N -0.542 119.494 120.200 -0.274 0.000 2.447 89 E HA -0.049 4.301 4.350 -0.000 0.000 0.195 89 E C 0.869 177.310 176.600 -0.265 0.000 1.028 89 E CA 0.338 56.609 56.400 -0.216 0.000 0.876 89 E CB 0.408 30.028 29.700 -0.133 0.000 0.885 89 E HN 0.479 nan 8.360 nan 0.000 0.500 90 E N 0.162 120.120 120.200 -0.402 0.000 2.715 90 E HA 0.045 4.395 4.350 -0.000 0.000 0.224 90 E C -0.072 176.197 176.600 -0.551 0.000 0.962 90 E CA 0.050 56.167 56.400 -0.472 0.000 1.145 90 E CB 1.347 30.700 29.700 -0.579 0.000 1.083 90 E HN 0.057 nan 8.360 nan 0.000 0.506 91 T N -2.609 111.615 114.554 -0.549 0.000 2.865 91 T HA 0.317 4.667 4.350 -0.000 0.000 0.294 91 T C 0.146 174.447 174.700 -0.665 0.000 1.119 91 T CA -0.677 61.035 62.100 -0.645 0.000 1.007 91 T CB 2.117 70.659 68.868 -0.543 0.000 1.225 91 T HN -0.217 nan 8.240 nan 0.000 0.515 92 Q N -0.292 118.972 119.800 -0.894 0.000 2.219 92 Q HA 0.366 4.706 4.340 -0.000 0.000 0.209 92 Q C -0.772 174.995 176.000 -0.388 0.000 0.854 92 Q CA -0.406 55.035 55.803 -0.605 0.000 0.960 92 Q CB 0.122 28.526 28.738 -0.557 0.000 1.116 92 Q HN 0.713 nan 8.270 nan 0.000 0.500 93 W N 0.286 121.560 121.300 -0.042 0.000 2.137 93 W HA 0.102 4.762 4.660 -0.000 0.000 0.344 93 W C 1.334 177.937 176.519 0.140 0.000 1.286 93 W CA -0.715 56.710 57.345 0.132 0.000 1.240 93 W CB 0.695 30.360 29.460 0.341 0.000 1.141 93 W HN 0.017 nan 8.180 nan 0.000 0.579 94 E N 0.903 121.385 120.200 0.470 0.000 2.400 94 E HA 0.085 4.435 4.350 -0.000 0.000 0.195 94 E C 0.148 176.993 176.600 0.409 0.000 1.012 94 E CA 0.640 57.234 56.400 0.322 0.000 0.875 94 E CB 0.246 30.081 29.700 0.224 0.000 0.859 94 E HN 0.436 nan 8.360 nan 0.000 0.498 95 R N -0.154 120.624 120.500 0.464 0.000 2.626 95 R HA 0.543 4.883 4.340 -0.000 0.000 0.274 95 R C -0.818 175.447 176.300 -0.058 0.000 1.031 95 R CA -0.483 55.745 56.100 0.213 0.000 0.898 95 R CB 2.445 32.800 30.300 0.092 0.000 1.222 95 R HN -0.063 nan 8.270 nan 0.000 0.455 96 I N 2.253 122.550 120.570 -0.455 0.000 2.465 96 I HA 0.387 4.557 4.170 -0.000 0.000 0.291 96 I C -0.640 175.193 176.117 -0.473 0.000 1.014 96 I CA -0.653 60.215 61.300 -0.720 0.000 1.093 96 I CB 1.170 38.284 38.000 -1.477 0.000 1.267 96 I HN 0.632 nan 8.210 nan 0.000 0.431 97 H N 6.818 125.633 119.070 -0.424 0.000 2.472 97 H HA 0.393 4.949 4.556 -0.000 0.000 0.335 97 H C -1.402 173.544 175.328 -0.638 0.000 1.136 97 H CA -0.223 55.601 56.048 -0.373 0.000 1.264 97 H CB 1.755 31.406 29.762 -0.186 0.000 1.486 97 H HN 0.396 nan 8.280 nan 0.000 0.517 98 F N 1.523 121.257 119.950 -0.361 0.000 2.520 98 F HA 0.324 4.851 4.527 -0.000 0.000 0.322 98 F C -0.794 174.624 175.800 -0.637 0.000 1.103 98 F CA -0.635 57.156 58.000 -0.349 0.000 0.926 98 F CB 1.362 40.284 39.000 -0.130 0.000 1.154 98 F HN 0.397 nan 8.300 nan 0.000 0.453 99 Y N 0.740 121.047 120.300 0.013 0.000 2.457 99 Y HA 0.301 4.851 4.550 -0.000 0.000 0.343 99 Y C -0.506 175.482 175.900 0.147 0.000 0.994 99 Y CA -1.539 56.593 58.100 0.054 0.000 1.031 99 Y CB 1.268 39.613 38.460 -0.192 0.000 1.246 99 Y HN 0.448 nan 8.280 nan 0.000 0.449 100 D N 1.260 121.860 120.400 0.332 0.000 2.472 100 D HA 0.182 4.822 4.640 -0.000 0.000 0.237 100 D C 0.808 177.259 176.300 0.252 0.000 1.141 100 D CA 0.451 54.609 54.000 0.264 0.000 0.875 100 D CB 1.460 42.366 40.800 0.176 0.000 1.192 100 D HN 0.761 nan 8.370 nan 0.000 0.450 101 A N 2.569 125.533 122.820 0.240 0.000 2.067 101 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 101 A C 1.326 178.923 177.584 0.022 0.000 1.156 101 A CA 0.823 52.935 52.037 0.126 0.000 0.683 101 A CB -0.067 19.034 19.000 0.169 0.000 0.808 101 A HN 0.594 nan 8.150 nan 0.000 0.455 102 D N -0.335 120.118 120.400 0.087 0.000 2.328 102 D HA 0.082 4.722 4.640 -0.000 0.000 0.226 102 D C 0.263 176.615 176.300 0.086 0.000 1.066 102 D CA -0.243 53.813 54.000 0.093 0.000 0.861 102 D CB -0.530 40.362 40.800 0.154 0.000 0.912 102 D HN 0.416 nan 8.370 nan 0.000 0.521 103 I N 1.657 122.247 120.570 0.033 0.000 2.533 103 I HA -0.011 4.159 4.170 -0.000 0.000 0.284 103 I C 1.468 177.579 176.117 -0.009 0.000 1.109 103 I CA 0.233 61.544 61.300 0.017 0.000 1.412 103 I CB 1.219 39.176 38.000 -0.072 0.000 1.396 103 I HN -0.020 nan 8.210 nan 0.000 0.543 104 T N -0.723 113.850 114.554 0.031 0.000 3.092 104 T HA 0.088 4.438 4.350 -0.000 0.000 0.258 104 T C 0.758 175.482 174.700 0.039 0.000 1.031 104 T CA 0.146 62.258 62.100 0.019 0.000 0.925 104 T CB -0.047 68.818 68.868 -0.005 0.000 1.036 104 T HN 0.611 nan 8.240 nan 0.000 0.544 105 S N 0.067 115.807 115.700 0.066 0.000 2.855 105 S HA 0.410 4.879 4.470 -0.000 0.000 0.249 105 S C -0.295 174.349 174.600 0.073 0.000 1.033 105 S CA -0.846 57.433 58.200 0.132 0.000 1.038 105 S CB -0.661 62.678 63.200 0.232 0.000 0.960 105 S HN 0.362 nan 8.310 nan 0.000 0.548 106 F N 2.816 122.504 119.950 -0.437 0.000 2.471 106 F HA 0.622 5.149 4.527 -0.000 0.000 0.353 106 F C 0.721 176.175 175.800 -0.576 0.000 1.113 106 F CA 0.463 57.838 58.000 -1.042 0.000 1.262 106 F CB 0.522 38.987 39.000 -0.891 0.000 1.146 106 F HN 0.356 nan 8.300 nan 0.000 0.578 107 G N 4.992 113.018 108.800 -1.289 0.000 2.682 107 G HA2 0.404 4.364 3.960 -0.000 0.000 0.290 107 G HA3 0.404 4.364 3.960 -0.000 0.000 0.290 107 G C -2.711 171.792 174.900 -0.662 0.000 1.425 107 G CA -0.984 43.743 45.100 -0.621 0.000 0.807 107 G HN 0.307 nan 8.290 nan 0.000 0.482 108 P HA -0.061 nan 4.420 nan 0.000 0.216 108 P C 0.996 178.325 177.300 0.048 0.000 1.153 108 P CA 1.380 64.427 63.100 -0.089 0.000 0.848 108 P CB 0.197 31.881 31.700 -0.027 0.000 0.787 109 D N -0.727 119.720 120.400 0.077 0.000 2.632 109 D HA -0.251 4.388 4.640 -0.000 0.000 0.588 109 D C 1.539 177.977 176.300 0.230 0.000 0.941 109 D CA 2.198 56.298 54.000 0.166 0.000 1.653 109 D CB -1.414 39.569 40.800 0.304 0.000 0.356 109 D HN 0.118 nan 8.370 nan 0.000 0.482 110 W N 0.362 121.568 121.300 -0.156 0.000 2.335 110 W HA -0.019 4.640 4.660 -0.000 0.000 0.311 110 W C 2.750 179.376 176.519 0.178 0.000 1.213 110 W CA 0.609 57.937 57.345 -0.029 0.000 1.274 110 W CB -1.061 28.200 29.460 -0.333 0.000 1.148 110 W HN 0.205 nan 8.180 nan 0.000 0.498 111 I N -0.509 120.174 120.570 0.188 0.000 2.163 111 I HA -0.293 3.877 4.170 -0.000 0.000 0.240 111 I C 2.342 178.540 176.117 0.135 0.000 1.081 111 I CA 1.813 63.150 61.300 0.061 0.000 1.353 111 I CB -1.197 36.504 38.000 -0.498 0.000 1.054 111 I HN -0.106 nan 8.210 nan 0.000 0.407 112 T N 0.970 115.635 114.554 0.186 0.000 2.624 112 T HA -0.257 4.093 4.350 -0.000 0.000 0.268 112 T C 1.891 176.713 174.700 0.203 0.000 1.041 112 T CA 1.624 63.875 62.100 0.252 0.000 1.159 112 T CB -0.292 68.731 68.868 0.258 0.000 0.863 112 T HN 0.303 nan 8.240 nan 0.000 0.434 113 K N 0.978 121.504 120.400 0.210 0.000 2.057 113 K HA 0.009 4.329 4.320 -0.000 0.000 0.207 113 K C 2.746 179.450 176.600 0.173 0.000 1.049 113 K CA 1.208 57.600 56.287 0.176 0.000 0.931 113 K CB -0.358 32.239 32.500 0.162 0.000 0.714 113 K HN 0.314 nan 8.250 nan 0.000 0.440 114 A N 1.859 124.834 122.820 0.257 0.000 1.883 114 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 114 A C 1.981 179.648 177.584 0.139 0.000 1.186 114 A CA 1.498 53.639 52.037 0.173 0.000 0.624 114 A CB -0.333 18.858 19.000 0.318 0.000 0.822 114 A HN 0.199 nan 8.150 nan 0.000 0.444 115 E N -0.076 120.244 120.200 0.201 0.000 2.153 115 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 115 E C 1.906 178.582 176.600 0.127 0.000 0.988 115 E CA 1.351 57.846 56.400 0.158 0.000 0.811 115 E CB -0.259 29.544 29.700 0.170 0.000 0.746 115 E HN 0.780 nan 8.360 nan 0.000 0.466 116 E N 0.532 120.803 120.200 0.118 0.000 2.076 116 E HA -0.061 4.289 4.350 -0.000 0.000 0.190 116 E C 2.088 178.737 176.600 0.081 0.000 0.979 116 E CA 0.708 57.168 56.400 0.100 0.000 0.807 116 E CB -0.047 29.704 29.700 0.084 0.000 0.761 116 E HN 0.162 nan 8.360 nan 0.000 0.454 117 A N 1.689 124.511 122.820 0.003 0.000 1.908 117 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 117 A C 2.408 180.109 177.584 0.195 0.000 1.181 117 A CA 1.827 53.825 52.037 -0.064 0.000 0.627 117 A CB -0.688 18.166 19.000 -0.243 0.000 0.818 117 A HN 0.296 nan 8.150 nan 0.000 0.445 118 A N -0.096 122.811 122.820 0.145 0.000 1.933 118 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 118 A C 1.743 179.420 177.584 0.155 0.000 1.175 118 A CA 1.924 54.054 52.037 0.156 0.000 0.628 118 A CB -0.591 18.464 19.000 0.092 0.000 0.814 118 A HN 0.467 nan 8.150 nan 0.000 0.444 119 D N -1.086 119.404 120.400 0.149 0.000 2.144 119 D HA -0.128 4.512 4.640 -0.000 0.000 0.199 119 D C 1.497 177.874 176.300 0.127 0.000 0.984 119 D CA 0.947 55.022 54.000 0.125 0.000 0.834 119 D CB -0.456 40.419 40.800 0.126 0.000 0.955 119 D HN 0.448 nan 8.370 nan 0.000 0.465 120 F N 0.057 120.012 119.950 0.008 0.000 2.250 120 F HA -0.042 4.485 4.527 -0.000 0.000 0.301 120 F C 1.872 177.593 175.800 -0.131 0.000 1.077 120 F CA 1.741 59.719 58.000 -0.037 0.000 1.348 120 F CB 0.266 39.270 39.000 0.008 0.000 1.040 120 F HN 0.142 nan 8.300 nan 0.000 0.509 121 G N -2.616 106.202 108.800 0.029 0.000 2.485 121 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.181 121 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.181 121 G C -0.029 174.813 174.900 -0.097 0.000 0.999 121 G CA -0.304 44.727 45.100 -0.116 0.000 0.721 121 G HN 0.202 nan 8.290 nan 0.000 0.486 122 Y N 0.983 121.339 120.300 0.093 0.000 2.578 122 Y HA 0.353 4.903 4.550 -0.000 0.000 0.339 122 Y C 1.904 177.836 175.900 0.053 0.000 1.231 122 Y CA 1.248 59.398 58.100 0.083 0.000 1.461 122 Y CB 0.984 39.509 38.460 0.109 0.000 1.323 122 Y HN 0.076 nan 8.280 nan 0.000 0.590 123 G N 2.082 111.004 108.800 0.203 0.000 2.492 123 G HA2 0.045 4.005 3.960 -0.000 0.000 0.214 123 G HA3 0.045 4.005 3.960 -0.000 0.000 0.214 123 G C -0.093 174.864 174.900 0.096 0.000 1.147 123 G CA 0.143 45.311 45.100 0.112 0.000 0.809 123 G HN 0.450 nan 8.290 nan 0.000 0.533 124 L N 1.303 122.597 121.223 0.118 0.000 2.438 124 L HA 0.609 4.949 4.340 -0.000 0.000 0.270 124 L C -1.621 175.280 176.870 0.052 0.000 0.972 124 L CA -0.520 54.352 54.840 0.054 0.000 0.831 124 L CB 2.324 44.397 42.059 0.024 0.000 1.273 124 L HN -0.152 nan 8.230 nan 0.000 0.405 125 V N 5.499 125.409 119.914 -0.006 0.000 2.407 125 V HA 0.523 4.643 4.120 -0.000 0.000 0.291 125 V C -0.144 175.876 176.094 -0.124 0.000 1.018 125 V CA -0.660 61.610 62.300 -0.050 0.000 0.842 125 V CB 1.888 33.677 31.823 -0.057 0.000 0.996 125 V HN 0.709 nan 8.190 nan 0.000 0.426 126 R N 3.796 124.223 120.500 -0.123 0.000 2.346 126 R HA 0.531 4.871 4.340 -0.000 0.000 0.311 126 R C -0.576 175.636 176.300 -0.147 0.000 0.983 126 R CA -0.739 55.311 56.100 -0.084 0.000 0.880 126 R CB 1.252 31.538 30.300 -0.023 0.000 1.100 126 R HN 0.700 nan 8.270 nan 0.000 0.453 127 H N 3.133 122.205 119.070 0.003 0.000 2.610 127 H HA 0.115 4.671 4.556 -0.000 0.000 0.336 127 H C -0.517 174.602 175.328 -0.349 0.000 1.087 127 H CA 0.088 56.026 56.048 -0.183 0.000 1.405 127 H CB 1.040 30.715 29.762 -0.145 0.000 1.460 127 H HN 0.587 nan 8.280 nan 0.000 0.538 128 Y N 1.132 121.043 120.300 -0.649 0.000 2.553 128 Y HA 0.595 5.145 4.550 -0.000 0.000 0.347 128 Y C -2.046 173.296 175.900 -0.930 0.000 1.019 128 Y CA -1.733 55.971 58.100 -0.659 0.000 1.032 128 Y CB 0.969 39.332 38.460 -0.162 0.000 1.284 128 Y HN 0.253 nan 8.280 nan 0.000 0.466 129 F N 2.146 122.038 119.950 -0.096 0.000 2.593 129 F HA 0.731 5.258 4.527 -0.000 0.000 0.320 129 F C -2.381 173.427 175.800 0.012 0.000 1.060 129 F CA -2.606 55.257 58.000 -0.229 0.000 0.940 129 F CB 1.796 40.758 39.000 -0.064 0.000 1.268 129 F HN 0.339 nan 8.300 nan 0.000 0.475 130 P HA 0.241 nan 4.420 nan 0.000 0.272 130 P C -0.822 176.661 177.300 0.306 0.000 1.230 130 P CA -0.269 63.010 63.100 0.299 0.000 0.788 130 P CB 0.897 32.708 31.700 0.186 0.000 0.949 131 R N 0.107 120.822 120.500 0.360 0.000 2.725 131 R HA 0.660 5.000 4.340 -0.000 0.000 0.277 131 R C -0.499 176.034 176.300 0.389 0.000 0.987 131 R CA -1.113 55.202 56.100 0.358 0.000 0.901 131 R CB 1.759 32.309 30.300 0.416 0.000 1.207 131 R HN 0.562 nan 8.270 nan 0.000 0.463 132 A N 0.730 123.728 122.820 0.296 0.000 2.371 132 A HA 0.258 4.578 4.320 -0.000 0.000 0.257 132 A C 1.238 179.010 177.584 0.314 0.000 1.089 132 A CA 0.238 52.448 52.037 0.288 0.000 0.794 132 A CB 0.357 19.466 19.000 0.181 0.000 1.029 132 A HN 0.847 nan 8.150 nan 0.000 0.488 133 S N 0.685 116.572 115.700 0.311 0.000 2.419 133 S HA -0.169 4.301 4.470 -0.000 0.000 0.235 133 S C 1.196 175.946 174.600 0.250 0.000 1.019 133 S CA 1.875 60.198 58.200 0.205 0.000 0.982 133 S CB -0.812 62.458 63.200 0.117 0.000 0.789 133 S HN 1.271 nan 8.310 nan 0.000 0.490 134 T N -1.563 113.132 114.554 0.235 0.000 3.145 134 T HA 0.303 4.653 4.350 -0.000 0.000 0.255 134 T C -0.278 174.598 174.700 0.294 0.000 1.039 134 T CA -0.624 61.649 62.100 0.288 0.000 0.928 134 T CB -0.131 68.885 68.868 0.246 0.000 1.029 134 T HN 0.133 nan 8.240 nan 0.000 0.554 135 D N 1.551 122.118 120.400 0.279 0.000 2.348 135 D HA 0.567 5.207 4.640 -0.000 0.000 0.249 135 D C 0.883 177.374 176.300 0.319 0.000 1.110 135 D CA 0.323 54.510 54.000 0.312 0.000 0.967 135 D CB 1.186 42.175 40.800 0.314 0.000 1.139 135 D HN 0.310 nan 8.370 nan 0.000 0.466 136 A N 1.194 124.210 122.820 0.327 0.000 2.930 136 A HA -0.200 4.120 4.320 -0.000 0.000 0.273 136 A C 1.394 179.174 177.584 0.326 0.000 1.435 136 A CA 0.555 52.782 52.037 0.317 0.000 0.780 136 A CB -1.771 17.457 19.000 0.380 0.000 1.034 136 A HN 0.437 nan 8.150 nan 0.000 0.562 137 M N -1.093 118.668 119.600 0.269 0.000 2.394 137 M HA 0.042 4.521 4.480 -0.000 0.000 0.264 137 M C 1.957 178.527 176.300 0.451 0.000 1.073 137 M CA 1.525 56.987 55.300 0.270 0.000 1.111 137 M CB -0.863 31.793 32.600 0.093 0.000 1.401 137 M HN 0.726 nan 8.290 nan 0.000 0.448 138 I N -0.679 120.068 120.570 0.295 0.000 2.277 138 I HA -0.200 3.970 4.170 -0.000 0.000 0.243 138 I C 2.226 178.374 176.117 0.052 0.000 1.094 138 I CA 1.032 62.372 61.300 0.066 0.000 1.393 138 I CB -0.690 37.197 38.000 -0.189 0.000 1.078 138 I HN 0.200 nan 8.210 nan 0.000 0.417 139 T N 0.188 114.755 114.554 0.022 0.000 2.624 139 T HA -0.247 4.103 4.350 -0.000 0.000 0.268 139 T C 1.454 176.056 174.700 -0.164 0.000 1.041 139 T CA 2.049 64.083 62.100 -0.109 0.000 1.159 139 T CB -0.418 68.359 68.868 -0.152 0.000 0.863 139 T HN 0.382 nan 8.240 nan 0.000 0.434 140 W N 0.504 121.803 121.300 -0.002 0.000 2.444 140 W HA 0.108 4.768 4.660 -0.000 0.000 0.308 140 W C 2.408 178.943 176.519 0.026 0.000 1.183 140 W CA 0.307 57.624 57.345 -0.047 0.000 1.340 140 W CB -0.205 29.162 29.460 -0.154 0.000 1.138 140 W HN 0.110 nan 8.180 nan 0.000 0.510 141 M N -0.982 118.814 119.600 0.326 0.000 2.506 141 M HA 0.114 4.594 4.480 -0.000 0.000 0.260 141 M C 1.470 178.133 176.300 0.606 0.000 1.104 141 M CA 1.228 56.741 55.300 0.355 0.000 1.112 141 M CB -0.833 31.828 32.600 0.102 0.000 1.401 141 M HN 0.138 nan 8.290 nan 0.000 0.473 142 I N -1.320 119.487 120.570 0.396 0.000 3.570 142 I HA -0.040 4.130 4.170 -0.000 0.000 0.270 142 I C 1.983 178.179 176.117 0.132 0.000 1.162 142 I CA 0.577 62.111 61.300 0.389 0.000 1.413 142 I CB 0.030 38.156 38.000 0.210 0.000 1.437 142 I HN 0.081 nan 8.210 nan 0.000 0.457 143 T N 0.896 115.406 114.554 -0.075 0.000 2.706 143 T HA -0.037 4.313 4.350 -0.000 0.000 0.255 143 T C 1.948 176.371 174.700 -0.462 0.000 1.048 143 T CA 1.013 62.896 62.100 -0.363 0.000 1.153 143 T CB -0.265 68.385 68.868 -0.362 0.000 0.865 143 T HN 0.137 nan 8.240 nan 0.000 0.414 144 R N 0.856 121.200 120.500 -0.261 0.000 2.091 144 R HA -0.096 4.244 4.340 -0.000 0.000 0.238 144 R C 2.738 179.031 176.300 -0.012 0.000 1.136 144 R CA 1.718 57.743 56.100 -0.126 0.000 0.959 144 R CB -1.083 29.050 30.300 -0.279 0.000 0.856 144 R HN 0.328 nan 8.270 nan 0.000 0.437 145 T N 0.283 114.849 114.554 0.019 0.000 2.635 145 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 145 T C 1.944 176.446 174.700 -0.330 0.000 1.040 145 T CA 1.764 63.848 62.100 -0.027 0.000 1.156 145 T CB -0.708 68.196 68.868 0.059 0.000 0.863 145 T HN 0.588 nan 8.240 nan 0.000 0.430 146 G N 0.798 109.367 108.800 -0.385 0.000 2.446 146 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 146 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 146 G C 1.288 176.210 174.900 0.036 0.000 1.168 146 G CA 0.601 45.512 45.100 -0.315 0.000 0.771 146 G HN 0.386 nan 8.290 nan 0.000 0.551 147 F N 1.864 121.883 119.950 0.115 0.000 2.126 147 F HA 0.024 4.551 4.527 -0.000 0.000 0.299 147 F C 3.024 178.936 175.800 0.187 0.000 1.096 147 F CA 0.314 58.492 58.000 0.297 0.000 1.255 147 F CB -1.026 38.096 39.000 0.204 0.000 0.997 147 F HN 0.276 nan 8.300 nan 0.000 0.479 148 A N 0.028 122.991 122.820 0.238 0.000 1.898 148 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 148 A C 2.328 179.938 177.584 0.044 0.000 1.181 148 A CA 1.311 53.425 52.037 0.129 0.000 0.620 148 A CB -1.067 18.005 19.000 0.119 0.000 0.819 148 A HN 0.365 nan 8.150 nan 0.000 0.442 149 L N -1.055 120.108 121.223 -0.100 0.000 2.156 149 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 149 L C 2.174 178.930 176.870 -0.190 0.000 1.095 149 L CA 0.798 55.525 54.840 -0.188 0.000 0.770 149 L CB -0.249 41.541 42.059 -0.447 0.000 0.914 149 L HN 0.350 nan 8.230 nan 0.000 0.439 150 L N -2.567 118.483 121.223 -0.287 0.000 2.515 150 L HA 0.054 4.394 4.340 -0.000 0.000 0.223 150 L C 0.426 176.777 176.870 -0.864 0.000 1.079 150 L CA 0.041 54.436 54.840 -0.741 0.000 0.857 150 L CB 0.231 41.441 42.059 -1.414 0.000 1.050 150 L HN 0.288 nan 8.230 nan 0.000 0.476 151 W N 0.734 122.111 121.300 0.129 0.000 1.590 151 W HA 0.294 4.954 4.660 -0.000 0.000 0.299 151 W C -1.998 174.581 176.519 0.100 0.000 0.872 151 W CA -1.250 56.168 57.345 0.121 0.000 1.961 151 W CB 0.118 29.642 29.460 0.108 0.000 2.140 151 W HN -0.069 nan 8.180 nan 0.000 0.433 152 P HA -0.203 nan 4.420 nan 0.000 0.218 152 P C 0.944 178.270 177.300 0.044 0.000 1.148 152 P CA 1.721 64.854 63.100 0.055 0.000 0.822 152 P CB 0.228 31.859 31.700 -0.114 0.000 0.784 153 H N -0.490 118.703 119.070 0.205 0.000 2.536 153 H HA 0.141 4.697 4.556 -0.000 0.000 0.276 153 H C 1.078 176.505 175.328 0.164 0.000 1.019 153 H CA 0.660 56.812 56.048 0.174 0.000 1.159 153 H CB -0.055 29.781 29.762 0.123 0.000 1.373 153 H HN 0.266 nan 8.280 nan 0.000 0.584 154 T N -2.540 112.178 114.554 0.273 0.000 2.919 154 T HA 0.193 4.543 4.350 -0.000 0.000 0.282 154 T C 1.120 175.931 174.700 0.185 0.000 1.020 154 T CA -0.764 61.433 62.100 0.162 0.000 0.994 154 T CB 2.342 71.249 68.868 0.065 0.000 1.180 154 T HN -0.110 nan 8.240 nan 0.000 0.566 155 E N -0.385 119.845 120.200 0.050 0.000 2.427 155 E HA 0.173 4.523 4.350 -0.000 0.000 0.196 155 E C 1.797 178.428 176.600 0.051 0.000 1.028 155 E CA 0.411 56.852 56.400 0.068 0.000 0.864 155 E CB -0.786 28.858 29.700 -0.092 0.000 0.813 155 E HN 0.651 nan 8.360 nan 0.000 0.514 156 L N 0.171 121.327 121.223 -0.111 0.000 1.990 156 L HA -0.264 4.075 4.340 -0.000 0.000 0.213 156 L C 2.337 179.163 176.870 -0.072 0.000 1.072 156 L CA 1.834 56.448 54.840 -0.377 0.000 0.755 156 L CB -0.679 40.897 42.059 -0.804 0.000 0.889 156 L HN 0.226 nan 8.230 nan 0.000 0.432 157 S N -1.999 113.780 115.700 0.132 0.000 2.515 157 S HA -0.139 4.330 4.470 -0.000 0.000 0.231 157 S C 1.380 175.965 174.600 -0.025 0.000 0.987 157 S CA 0.151 58.430 58.200 0.131 0.000 0.936 157 S CB -0.620 62.607 63.200 0.044 0.000 0.766 157 S HN 0.480 nan 8.310 nan 0.000 0.528 158 W N 1.098 122.440 121.300 0.070 0.000 2.905 158 W HA 0.456 5.116 4.660 -0.000 0.000 0.251 158 W C 0.170 176.750 176.519 0.101 0.000 1.305 158 W CA -1.020 56.393 57.345 0.114 0.000 1.465 158 W CB -0.349 29.210 29.460 0.165 0.000 1.122 158 W HN 0.138 nan 8.180 nan 0.000 0.659 159 I N 1.953 122.610 120.570 0.146 0.000 2.683 159 I HA -0.133 4.037 4.170 -0.000 0.000 0.286 159 I C 1.743 177.859 176.117 -0.001 0.000 1.175 159 I CA 0.508 61.822 61.300 0.023 0.000 1.429 159 I CB 0.748 38.710 38.000 -0.063 0.000 1.371 159 I HN -0.049 nan 8.210 nan 0.000 0.569 160 E N 4.032 124.193 120.200 -0.064 0.000 2.047 160 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 160 E C 0.333 176.872 176.600 -0.102 0.000 0.987 160 E CA 1.426 57.758 56.400 -0.112 0.000 0.799 160 E CB 0.021 29.533 29.700 -0.313 0.000 0.752 160 E HN 0.599 nan 8.360 nan 0.000 0.449 161 Q N 0.019 119.800 119.800 -0.031 0.000 3.122 161 Q HA 0.149 4.489 4.340 -0.000 0.000 0.282 161 Q C -2.049 173.977 176.000 0.043 0.000 0.947 161 Q CA -1.244 54.574 55.803 0.025 0.000 0.812 161 Q CB 1.689 30.522 28.738 0.159 0.000 1.333 161 Q HN 0.011 nan 8.270 nan 0.000 0.430 162 P HA -0.134 nan 4.420 nan 0.000 0.228 162 P C 0.537 177.887 177.300 0.084 0.000 1.151 162 P CA 0.952 64.112 63.100 0.100 0.000 0.770 162 P CB 0.363 32.185 31.700 0.204 0.000 0.786 163 L N -1.412 119.839 121.223 0.047 0.000 2.607 163 L HA 0.274 4.613 4.340 -0.000 0.000 0.228 163 L C 1.327 178.256 176.870 0.099 0.000 1.123 163 L CA -0.378 54.492 54.840 0.051 0.000 0.890 163 L CB -0.463 41.600 42.059 0.007 0.000 1.103 163 L HN -0.090 nan 8.230 nan 0.000 0.468 164 G N -0.158 108.724 108.800 0.136 0.000 2.343 164 G HA2 0.275 4.234 3.960 -0.000 0.000 0.254 164 G HA3 0.275 4.234 3.960 -0.000 0.000 0.254 164 G C 0.967 175.988 174.900 0.202 0.000 1.277 164 G CA 0.061 45.286 45.100 0.207 0.000 0.909 164 G HN 0.279 nan 8.290 nan 0.000 0.502 165 G N 1.371 110.305 108.800 0.223 0.000 2.920 165 G HA2 0.165 4.124 3.960 -0.000 0.000 0.208 165 G HA3 0.165 4.124 3.960 -0.000 0.000 0.208 165 G C 0.339 175.382 174.900 0.239 0.000 1.159 165 G CA -0.016 45.202 45.100 0.197 0.000 0.784 165 G HN 0.540 nan 8.290 nan 0.000 0.535 166 E N 0.217 120.616 120.200 0.331 0.000 2.092 166 E HA 0.574 4.924 4.350 -0.000 0.000 0.271 166 E C -0.463 176.375 176.600 0.396 0.000 0.919 166 E CA -0.455 56.166 56.400 0.369 0.000 0.760 166 E CB 1.578 31.679 29.700 0.668 0.000 1.106 166 E HN 0.252 nan 8.360 nan 0.000 0.408 167 L N 0.283 121.634 121.223 0.214 0.000 2.838 167 L HA 0.626 4.965 4.340 -0.000 0.000 0.266 167 L C -1.590 175.280 176.870 0.000 0.000 1.040 167 L CA -1.046 53.874 54.840 0.134 0.000 0.906 167 L CB 0.937 43.051 42.059 0.093 0.000 1.501 167 L HN 0.429 nan 8.230 nan 0.000 0.407 168 L N 1.296 122.465 121.223 -0.090 0.000 2.409 168 L HA 0.828 5.168 4.340 -0.000 0.000 0.272 168 L C -1.326 175.466 176.870 -0.131 0.000 0.980 168 L CA -0.471 54.223 54.840 -0.242 0.000 0.826 168 L CB 1.773 43.590 42.059 -0.404 0.000 1.268 168 L HN 0.815 nan 8.230 nan 0.000 0.407 169 M N 4.854 124.378 119.600 -0.127 0.000 2.528 169 M HA 0.574 5.054 4.480 -0.000 0.000 0.321 169 M C -0.526 175.764 176.300 -0.016 0.000 1.153 169 M CA -0.780 54.489 55.300 -0.052 0.000 0.951 169 M CB 2.042 34.620 32.600 -0.036 0.000 1.705 169 M HN 0.522 nan 8.290 nan 0.000 0.451 170 R N 0.911 121.444 120.500 0.054 0.000 2.543 170 R HA 0.448 4.787 4.340 -0.000 0.000 0.268 170 R C 0.677 177.100 176.300 0.204 0.000 1.067 170 R CA -0.786 55.389 56.100 0.125 0.000 1.142 170 R CB 1.169 31.530 30.300 0.102 0.000 1.110 170 R HN 0.844 nan 8.270 nan 0.000 0.549 171 R N 0.852 121.518 120.500 0.275 0.000 2.112 171 R HA -0.231 4.109 4.340 -0.000 0.000 0.242 171 R C 1.982 178.371 176.300 0.149 0.000 1.137 171 R CA 2.491 58.749 56.100 0.262 0.000 0.944 171 R CB -0.272 30.069 30.300 0.068 0.000 0.857 171 R HN 0.886 nan 8.270 nan 0.000 0.435 172 E N 0.280 120.534 120.200 0.090 0.000 2.153 172 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 172 E C 1.939 178.579 176.600 0.067 0.000 0.988 172 E CA 1.495 57.931 56.400 0.059 0.000 0.811 172 E CB -0.417 29.304 29.700 0.035 0.000 0.746 172 E HN 0.353 nan 8.360 nan 0.000 0.466 173 V N 2.115 122.074 119.914 0.075 0.000 2.307 173 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 173 V C 2.778 178.909 176.094 0.062 0.000 1.045 173 V CA 1.867 64.198 62.300 0.051 0.000 1.024 173 V CB -0.930 30.913 31.823 0.033 0.000 0.651 173 V HN 0.439 nan 8.190 nan 0.000 0.449 174 A N 0.116 123.008 122.820 0.120 0.000 1.908 174 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 174 A C 2.429 180.125 177.584 0.186 0.000 1.181 174 A CA 2.172 54.309 52.037 0.167 0.000 0.627 174 A CB -0.796 18.424 19.000 0.368 0.000 0.818 174 A HN 0.571 nan 8.150 nan 0.000 0.445 175 A N -0.735 122.177 122.820 0.154 0.000 1.902 175 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 175 A C 2.240 179.908 177.584 0.140 0.000 1.181 175 A CA 2.063 54.183 52.037 0.139 0.000 0.623 175 A CB -0.534 18.509 19.000 0.072 0.000 0.818 175 A HN 0.547 nan 8.150 nan 0.000 0.443 176 M N -0.203 119.454 119.600 0.095 0.000 2.086 176 M HA -0.086 4.394 4.480 -0.000 0.000 0.261 176 M C 2.024 178.373 176.300 0.081 0.000 1.067 176 M CA 1.752 57.093 55.300 0.068 0.000 1.116 176 M CB -0.837 31.787 32.600 0.041 0.000 1.348 176 M HN 0.424 nan 8.290 nan 0.000 0.407 177 L N -0.925 120.353 121.223 0.091 0.000 1.994 177 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 177 L C 2.596 179.568 176.870 0.171 0.000 1.071 177 L CA 1.570 56.477 54.840 0.111 0.000 0.745 177 L CB -1.176 40.900 42.059 0.029 0.000 0.892 177 L HN 0.271 nan 8.230 nan 0.000 0.431 178 Y N 0.996 121.347 120.300 0.085 0.000 2.256 178 Y HA -0.288 4.262 4.550 -0.000 0.000 0.288 178 Y C 2.427 178.374 175.900 0.078 0.000 1.155 178 Y CA 1.749 59.911 58.100 0.103 0.000 1.203 178 Y CB -0.043 38.482 38.460 0.110 0.000 0.980 178 Y HN 0.161 nan 8.280 nan 0.000 0.530 179 E N 0.291 120.500 120.200 0.016 0.000 2.285 179 E HA -0.091 4.258 4.350 -0.000 0.000 0.194 179 E C 0.177 176.738 176.600 -0.065 0.000 0.997 179 E CA 0.427 56.794 56.400 -0.055 0.000 0.845 179 E CB -0.156 29.559 29.700 0.025 0.000 0.782 179 E HN 0.294 nan 8.360 nan 0.000 0.491 180 D N 0.265 120.652 120.400 -0.021 0.000 2.339 180 D HA -0.061 4.579 4.640 -0.000 0.000 0.256 180 D C 0.833 177.117 176.300 -0.027 0.000 1.214 180 D CA 0.052 54.050 54.000 -0.003 0.000 0.877 180 D CB 1.046 41.871 40.800 0.042 0.000 1.111 180 D HN 0.221 nan 8.370 nan 0.000 0.478 181 E N 4.024 124.204 120.200 -0.033 0.000 2.153 181 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 181 E C 1.458 178.046 176.600 -0.021 0.000 0.988 181 E CA 1.042 57.417 56.400 -0.041 0.000 0.811 181 E CB 0.109 29.787 29.700 -0.037 0.000 0.746 181 E HN 0.327 nan 8.360 nan 0.000 0.466 182 R N 0.463 120.962 120.500 -0.002 0.000 2.091 182 R HA -0.117 4.222 4.340 -0.000 0.000 0.238 182 R C 2.635 178.937 176.300 0.004 0.000 1.136 182 R CA 1.547 57.646 56.100 -0.001 0.000 0.959 182 R CB -0.734 29.572 30.300 0.010 0.000 0.856 182 R HN 0.339 nan 8.270 nan 0.000 0.437 183 V N 0.160 120.094 119.914 0.035 0.000 2.407 183 V HA -0.109 4.011 4.120 -0.000 0.000 0.245 183 V C 2.201 178.317 176.094 0.036 0.000 1.041 183 V CA 1.564 63.900 62.300 0.060 0.000 1.040 183 V CB -0.220 31.714 31.823 0.186 0.000 0.671 183 V HN 0.138 nan 8.190 nan 0.000 0.455 184 R N 1.974 122.481 120.500 0.012 0.000 2.103 184 R HA -0.205 4.135 4.340 -0.000 0.000 0.242 184 R C 2.509 178.799 176.300 -0.017 0.000 1.142 184 R CA 2.647 58.734 56.100 -0.023 0.000 0.960 184 R CB -0.801 29.433 30.300 -0.109 0.000 0.858 184 R HN 0.779 nan 8.270 nan 0.000 0.439 185 R N -0.998 119.487 120.500 -0.025 0.000 2.276 185 R HA 0.079 4.418 4.340 -0.000 0.000 0.203 185 R C 0.658 176.941 176.300 -0.029 0.000 1.017 185 R CA 0.496 56.581 56.100 -0.025 0.000 1.010 185 R CB -0.169 30.115 30.300 -0.026 0.000 0.900 185 R HN -0.137 nan 8.270 nan 0.000 0.469 186 R N 2.102 122.580 120.500 -0.037 0.000 4.154 186 R HA 0.047 4.387 4.340 -0.000 0.000 0.186 186 R C 0.497 176.756 176.300 -0.069 0.000 1.750 186 R CA 0.208 56.274 56.100 -0.056 0.000 1.431 186 R CB -0.168 30.084 30.300 -0.079 0.000 1.383 186 R HN 0.484 nan 8.270 nan 0.000 0.788 187 S N -1.082 114.586 115.700 -0.054 0.000 2.515 187 S HA -0.107 4.363 4.470 -0.000 0.000 0.231 187 S C 0.736 175.274 174.600 -0.103 0.000 0.987 187 S CA 0.536 58.699 58.200 -0.061 0.000 0.936 187 S CB -0.293 62.882 63.200 -0.042 0.000 0.766 187 S HN 0.577 nan 8.310 nan 0.000 0.528 188 D N -0.098 120.241 120.400 -0.102 0.000 2.481 188 D HA 0.158 4.798 4.640 -0.000 0.000 0.283 188 D C 0.774 176.981 176.300 -0.155 0.000 1.192 188 D CA -0.970 52.941 54.000 -0.149 0.000 1.100 188 D CB -0.727 40.036 40.800 -0.062 0.000 1.166 188 D HN 0.265 nan 8.370 nan 0.000 0.584 189 W N -0.382 120.880 121.300 -0.064 0.000 2.421 189 W HA 0.153 4.813 4.660 -0.000 0.000 0.270 189 W C 2.316 178.773 176.519 -0.103 0.000 1.233 189 W CA 0.492 57.790 57.345 -0.078 0.000 1.226 189 W CB -0.104 29.314 29.460 -0.071 0.000 1.121 189 W HN 0.549 nan 8.180 nan 0.000 0.579 190 G N 0.379 109.242 108.800 0.106 0.000 2.535 190 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 190 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 190 G C 1.296 176.149 174.900 -0.077 0.000 1.122 190 G CA 0.669 45.772 45.100 0.006 0.000 0.769 190 G HN 0.190 nan 8.290 nan 0.000 0.549 191 I N 1.609 122.094 120.570 -0.140 0.000 2.118 191 I HA -0.215 3.954 4.170 -0.000 0.000 0.241 191 I C 2.119 177.955 176.117 -0.469 0.000 1.070 191 I CA 1.699 62.781 61.300 -0.363 0.000 1.327 191 I CB -0.213 37.524 38.000 -0.437 0.000 1.034 191 I HN 0.182 nan 8.210 nan 0.000 0.405 192 D N -0.659 119.588 120.400 -0.255 0.000 2.144 192 D HA -0.170 4.470 4.640 -0.000 0.000 0.199 192 D C 2.034 178.325 176.300 -0.016 0.000 0.984 192 D CA 1.994 55.913 54.000 -0.136 0.000 0.834 192 D CB -0.317 40.482 40.800 -0.002 0.000 0.955 192 D HN 0.403 nan 8.370 nan 0.000 0.465 193 T N 2.024 116.576 114.554 -0.004 0.000 2.684 193 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 193 T C 2.049 176.835 174.700 0.143 0.000 1.036 193 T CA 0.444 62.595 62.100 0.085 0.000 1.148 193 T CB -0.133 68.741 68.868 0.010 0.000 0.863 193 T HN 0.071 nan 8.240 nan 0.000 0.436 194 L N -0.044 121.195 121.223 0.027 0.000 2.046 194 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 194 L C 2.487 179.481 176.870 0.206 0.000 1.077 194 L CA 1.894 56.782 54.840 0.080 0.000 0.747 194 L CB -1.196 40.855 42.059 -0.013 0.000 0.896 194 L HN 0.308 nan 8.230 nan 0.000 0.432 195 Y N 0.577 120.910 120.300 0.055 0.000 2.128 195 Y HA -0.216 4.333 4.550 -0.000 0.000 0.284 195 Y C 2.887 178.803 175.900 0.026 0.000 1.154 195 Y CA 1.297 59.414 58.100 0.027 0.000 1.149 195 Y CB -1.566 36.885 38.460 -0.015 0.000 0.976 195 Y HN 0.201 nan 8.280 nan 0.000 0.505 196 T N 0.470 115.159 114.554 0.225 0.000 2.674 196 T HA -0.221 4.129 4.350 -0.000 0.000 0.265 196 T C 1.759 176.467 174.700 0.013 0.000 1.039 196 T CA 1.557 63.728 62.100 0.119 0.000 1.150 196 T CB -0.820 68.158 68.868 0.183 0.000 0.864 196 T HN 0.282 nan 8.240 nan 0.000 0.427 197 F N 1.767 121.687 119.950 -0.049 0.000 2.046 197 F HA -0.150 4.377 4.527 -0.000 0.000 0.297 197 F C 2.454 178.135 175.800 -0.198 0.000 1.123 197 F CA 1.602 59.472 58.000 -0.217 0.000 1.199 197 F CB -0.550 38.358 39.000 -0.153 0.000 0.972 197 F HN 0.020 nan 8.300 nan 0.000 0.474 198 V N -0.440 119.521 119.914 0.078 0.000 2.548 198 V HA -0.159 3.961 4.120 -0.000 0.000 0.249 198 V C 2.206 178.224 176.094 -0.126 0.000 1.055 198 V CA 2.339 64.626 62.300 -0.021 0.000 1.065 198 V CB -1.268 30.632 31.823 0.128 0.000 0.681 198 V HN 0.612 nan 8.190 nan 0.000 0.462 199 T N -1.148 113.354 114.554 -0.086 0.000 2.746 199 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 199 T C 1.857 176.452 174.700 -0.175 0.000 1.039 199 T CA 1.975 64.018 62.100 -0.096 0.000 1.142 199 T CB -0.948 67.885 68.868 -0.058 0.000 0.866 199 T HN 0.386 nan 8.240 nan 0.000 0.444 200 V N 1.870 121.613 119.914 -0.285 0.000 2.358 200 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 200 V C 2.930 178.785 176.094 -0.397 0.000 1.047 200 V CA 1.994 64.081 62.300 -0.355 0.000 1.035 200 V CB -0.910 30.627 31.823 -0.477 0.000 0.658 200 V HN 0.543 nan 8.190 nan 0.000 0.452 201 Q N -0.494 118.972 119.800 -0.557 0.000 2.226 201 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 201 Q C 1.934 177.786 176.000 -0.247 0.000 0.975 201 Q CA 1.165 56.671 55.803 -0.495 0.000 0.866 201 Q CB 0.058 28.432 28.738 -0.608 0.000 0.915 201 Q HN 0.570 nan 8.270 nan 0.000 0.440 202 Q N -1.079 118.611 119.800 -0.183 0.000 2.320 202 Q HA 0.095 4.435 4.340 -0.000 0.000 0.201 202 Q C 0.702 176.651 176.000 -0.085 0.000 0.910 202 Q CA 0.689 56.431 55.803 -0.102 0.000 0.946 202 Q CB 0.899 29.597 28.738 -0.066 0.000 1.062 202 Q HN 0.570 nan 8.270 nan 0.000 0.503 203 G N 1.004 109.739 108.800 -0.108 0.000 2.203 203 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.263 203 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.263 203 G C 0.361 175.233 174.900 -0.046 0.000 1.012 203 G CA 0.351 45.406 45.100 -0.075 0.000 0.749 203 G HN 0.262 nan 8.290 nan 0.000 0.512 204 V N 1.326 121.211 119.914 -0.048 0.000 2.694 204 V HA 0.346 4.466 4.120 -0.000 0.000 0.306 204 V C 1.366 177.474 176.094 0.022 0.000 1.054 204 V CA 0.570 62.864 62.300 -0.011 0.000 1.161 204 V CB 1.169 32.983 31.823 -0.014 0.000 0.916 204 V HN 1.060 nan 8.190 nan 0.000 0.490 205 S N 6.213 121.954 115.700 0.069 0.000 2.523 205 S HA 0.673 5.143 4.470 -0.000 0.000 0.275 205 S C -0.710 174.056 174.600 0.277 0.000 1.281 205 S CA -0.630 57.662 58.200 0.154 0.000 1.050 205 S CB 0.556 63.829 63.200 0.122 0.000 0.937 205 S HN 0.477 nan 8.310 nan 0.000 0.492 206 I N 3.279 124.034 120.570 0.308 0.000 2.465 206 I HA 0.387 4.557 4.170 -0.000 0.000 0.291 206 I C -1.151 175.066 176.117 0.168 0.000 1.014 206 I CA -0.871 60.557 61.300 0.213 0.000 1.093 206 I CB 1.755 39.800 38.000 0.076 0.000 1.267 206 I HN 0.758 nan 8.210 nan 0.000 0.431 207 Y N 5.394 125.523 120.300 -0.285 0.000 2.393 207 Y HA 0.434 4.984 4.550 -0.000 0.000 0.341 207 Y C -0.526 175.211 175.900 -0.271 0.000 0.988 207 Y CA -0.626 57.129 58.100 -0.574 0.000 1.078 207 Y CB 1.490 39.188 38.460 -1.270 0.000 1.203 207 Y HN 0.489 nan 8.280 nan 0.000 0.453 208 E N 5.199 124.954 120.200 -0.742 0.000 2.109 208 E HA 0.271 4.621 4.350 -0.000 0.000 0.278 208 E C -1.287 174.957 176.600 -0.593 0.000 0.954 208 E CA -0.653 55.440 56.400 -0.512 0.000 0.779 208 E CB 1.299 30.761 29.700 -0.396 0.000 1.093 208 E HN 0.571 nan 8.360 nan 0.000 0.401 209 C N 4.910 124.071 119.300 -0.232 0.000 2.285 209 C HA 0.247 4.707 4.460 -0.000 0.000 0.335 209 C C -0.495 174.467 174.990 -0.047 0.000 1.267 209 C CA -0.518 58.440 59.018 -0.100 0.000 1.762 209 C CB -0.789 26.855 27.740 -0.160 0.000 2.365 209 C HN 0.707 nan 8.230 nan 0.000 0.527 210 Y N 6.185 126.362 120.300 -0.205 0.000 2.383 210 Y HA 0.566 5.116 4.550 -0.000 0.000 0.344 210 Y C -0.166 175.459 175.900 -0.459 0.000 0.986 210 Y CA -0.579 57.195 58.100 -0.544 0.000 1.175 210 Y CB 0.294 38.502 38.460 -0.419 0.000 1.152 210 Y HN 0.620 nan 8.280 nan 0.000 0.511 211 I N 10.515 130.403 120.570 -1.137 0.000 2.291 211 I HA 0.253 4.423 4.170 -0.000 0.000 0.290 211 I C -1.559 173.966 176.117 -0.986 0.000 1.050 211 I CA -2.487 58.268 61.300 -0.909 0.000 1.245 211 I CB 1.414 38.851 38.000 -0.939 0.000 1.405 211 I HN 0.535 nan 8.210 nan 0.000 0.478 212 P HA -0.166 nan 4.420 nan 0.000 0.217 212 P C 0.919 178.073 177.300 -0.244 0.000 1.151 212 P CA 1.157 63.936 63.100 -0.535 0.000 0.828 212 P CB 0.117 31.571 31.700 -0.410 0.000 0.788 213 E N 0.612 120.737 120.200 -0.125 0.000 2.478 213 E HA 0.071 4.421 4.350 -0.000 0.000 0.198 213 E C 0.974 177.629 176.600 0.092 0.000 1.046 213 E CA 0.855 57.279 56.400 0.040 0.000 0.870 213 E CB -0.890 28.880 29.700 0.118 0.000 0.818 213 E HN 0.187 nan 8.360 nan 0.000 0.527 214 G N 1.555 110.381 108.800 0.044 0.000 2.796 214 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.571 214 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.571 214 G C -0.974 173.942 174.900 0.027 0.000 1.370 214 G CA -0.105 45.054 45.100 0.099 0.000 0.856 214 G HN 0.291 nan 8.290 nan 0.000 0.538 215 K N 0.388 120.614 120.400 -0.291 0.000 2.354 215 K HA 0.647 4.967 4.320 -0.000 0.000 0.257 215 K C 0.350 176.971 176.600 0.034 0.000 1.062 215 K CA 0.019 56.102 56.287 -0.340 0.000 0.971 215 K CB 0.396 32.239 32.500 -1.096 0.000 1.305 215 K HN 1.272 nan 8.250 nan 0.000 0.449 216 A N 4.582 127.465 122.820 0.106 0.000 2.310 216 A HA 0.348 4.668 4.320 -0.000 0.000 0.300 216 A C -0.794 176.855 177.584 0.108 0.000 1.269 216 A CA -0.281 51.803 52.037 0.080 0.000 0.909 216 A CB -0.299 18.740 19.000 0.065 0.000 1.144 216 A HN 1.004 nan 8.150 nan 0.000 0.540 217 H N 0.230 119.283 119.070 -0.028 0.000 2.959 217 H HA 0.715 5.271 4.556 -0.000 0.000 0.296 217 H C -0.122 175.169 175.328 -0.062 0.000 1.421 217 H CA -1.176 54.857 56.048 -0.026 0.000 1.206 217 H CB 0.481 30.239 29.762 -0.008 0.000 1.891 217 H HN 0.534 nan 8.280 nan 0.000 0.573 218 R N 0.736 121.215 120.500 -0.036 0.000 2.523 218 R HA 0.090 4.430 4.340 -0.000 0.000 0.281 218 R C -0.675 175.348 176.300 -0.461 0.000 0.969 218 R CA 0.291 56.318 56.100 -0.122 0.000 1.093 218 R CB -0.090 30.244 30.300 0.057 0.000 0.917 218 R HN 0.501 nan 8.270 nan 0.000 0.408 219 L N 4.461 125.455 121.223 -0.381 0.000 2.358 219 L HA 0.424 4.764 4.340 -0.000 0.000 0.268 219 L C -0.562 176.080 176.870 -0.380 0.000 1.032 219 L CA -0.970 53.573 54.840 -0.496 0.000 0.805 219 L CB 0.923 42.837 42.059 -0.242 0.000 1.253 219 L HN 0.548 nan 8.230 nan 0.000 0.452 220 Y N -0.852 119.480 120.300 0.053 0.000 2.420 220 Y HA 0.500 5.050 4.550 -0.000 0.000 0.334 220 Y C 0.913 176.874 175.900 0.101 0.000 1.094 220 Y CA -0.754 57.399 58.100 0.088 0.000 1.126 220 Y CB 1.533 40.062 38.460 0.114 0.000 1.217 220 Y HN 0.650 nan 8.280 nan 0.000 0.462 221 G N 1.065 110.022 108.800 0.262 0.000 3.056 221 G HA2 0.314 4.274 3.960 -0.000 0.000 0.175 221 G HA3 0.314 4.274 3.960 -0.000 0.000 0.175 221 G C 0.515 175.552 174.900 0.228 0.000 1.894 221 G CA -0.015 45.201 45.100 0.194 0.000 0.910 221 G HN 0.877 nan 8.290 nan 0.000 0.462 222 G N -1.077 107.839 108.800 0.193 0.000 2.606 222 G HA2 0.334 4.294 3.960 -0.000 0.000 0.252 222 G HA3 0.334 4.294 3.960 -0.000 0.000 0.252 222 G C 0.686 175.693 174.900 0.179 0.000 1.206 222 G CA -0.533 44.686 45.100 0.199 0.000 0.861 222 G HN 0.221 nan 8.290 nan 0.000 0.561 223 L N 0.845 122.142 121.223 0.123 0.000 2.261 223 L HA -0.069 4.271 4.340 -0.000 0.000 0.216 223 L C 2.509 179.592 176.870 0.355 0.000 1.114 223 L CA 1.838 56.754 54.840 0.126 0.000 0.777 223 L CB -0.391 41.617 42.059 -0.085 0.000 0.910 223 L HN 0.773 nan 8.230 nan 0.000 0.440 224 D N -1.507 119.090 120.400 0.327 0.000 2.349 224 D HA -0.133 4.507 4.640 -0.000 0.000 0.224 224 D C 0.862 177.126 176.300 -0.060 0.000 1.029 224 D CA 0.651 54.679 54.000 0.046 0.000 0.879 224 D CB -0.416 40.322 40.800 -0.103 0.000 0.906 224 D HN 0.484 nan 8.370 nan 0.000 0.528 225 D N -0.183 120.235 120.400 0.031 0.000 2.319 225 D HA 0.011 4.651 4.640 -0.000 0.000 0.230 225 D C 1.415 177.683 176.300 -0.053 0.000 1.094 225 D CA -0.129 53.881 54.000 0.017 0.000 0.856 225 D CB -0.202 40.657 40.800 0.098 0.000 0.915 225 D HN 0.244 nan 8.370 nan 0.000 0.517 226 L N -0.465 120.695 121.223 -0.104 0.000 2.728 226 L HA 0.312 4.652 4.340 -0.000 0.000 0.238 226 L C 2.167 178.898 176.870 -0.233 0.000 1.143 226 L CA -0.342 54.355 54.840 -0.238 0.000 0.937 226 L CB 0.193 42.084 42.059 -0.281 0.000 1.225 226 L HN 0.005 nan 8.230 nan 0.000 0.507 227 R N -0.053 120.334 120.500 -0.188 0.000 2.066 227 R HA -0.135 4.205 4.340 -0.000 0.000 0.232 227 R C 1.963 178.162 176.300 -0.168 0.000 1.131 227 R CA 2.023 57.977 56.100 -0.243 0.000 0.955 227 R CB -0.042 29.952 30.300 -0.510 0.000 0.851 227 R HN 0.172 nan 8.270 nan 0.000 0.432 228 T N 1.287 115.782 114.554 -0.098 0.000 2.708 228 T HA -0.198 4.152 4.350 -0.000 0.000 0.266 228 T C 1.703 176.413 174.700 0.016 0.000 1.037 228 T CA 1.633 63.747 62.100 0.023 0.000 1.146 228 T CB -0.166 68.791 68.868 0.148 0.000 0.865 228 T HN 0.289 nan 8.240 nan 0.000 0.435 229 M N 0.603 120.082 119.600 -0.202 0.000 2.080 229 M HA -0.098 4.382 4.480 -0.000 0.000 0.260 229 M C 2.207 178.309 176.300 -0.331 0.000 1.068 229 M CA 1.532 56.524 55.300 -0.513 0.000 1.109 229 M CB -0.305 31.672 32.600 -1.038 0.000 1.342 229 M HN 0.252 nan 8.290 nan 0.000 0.405 230 L N 0.447 121.439 121.223 -0.385 0.000 1.971 230 L HA -0.190 4.150 4.340 -0.000 0.000 0.215 230 L C 2.413 179.135 176.870 -0.247 0.000 1.072 230 L CA 2.410 56.977 54.840 -0.455 0.000 0.758 230 L CB -0.973 40.708 42.059 -0.631 0.000 0.889 230 L HN 0.415 nan 8.230 nan 0.000 0.433 231 V N -2.806 117.039 119.914 -0.115 0.000 2.343 231 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 231 V C 2.217 178.347 176.094 0.060 0.000 1.051 231 V CA 1.981 64.287 62.300 0.011 0.000 1.036 231 V CB -1.119 30.808 31.823 0.173 0.000 0.654 231 V HN 0.631 nan 8.190 nan 0.000 0.451 232 E N -0.190 120.046 120.200 0.060 0.000 2.072 232 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 232 E C 2.280 178.892 176.600 0.020 0.000 0.985 232 E CA 1.672 58.123 56.400 0.085 0.000 0.801 232 E CB -0.358 29.443 29.700 0.168 0.000 0.750 232 E HN 0.718 nan 8.360 nan 0.000 0.452 233 C N 0.533 119.814 119.300 -0.031 0.000 2.425 233 C HA -0.126 4.334 4.460 -0.000 0.000 0.277 233 C C 2.393 177.323 174.990 -0.099 0.000 1.280 233 C CA 0.295 59.267 59.018 -0.078 0.000 1.744 233 C CB -0.949 26.712 27.740 -0.132 0.000 1.989 233 C HN 0.409 nan 8.230 nan 0.000 0.491 234 F N 2.314 122.114 119.950 -0.249 0.000 2.113 234 F HA 0.011 4.538 4.527 -0.000 0.000 0.297 234 F C 2.378 178.014 175.800 -0.272 0.000 1.103 234 F CA 1.376 59.180 58.000 -0.327 0.000 1.248 234 F CB -0.593 38.083 39.000 -0.541 0.000 0.999 234 F HN 0.135 nan 8.300 nan 0.000 0.475 235 A N 0.601 123.331 122.820 -0.149 0.000 1.948 235 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 235 A C 2.421 179.879 177.584 -0.210 0.000 1.177 235 A CA 2.095 54.072 52.037 -0.100 0.000 0.636 235 A CB -1.619 17.444 19.000 0.106 0.000 0.815 235 A HN 0.543 nan 8.150 nan 0.000 0.449 236 A N -0.295 122.414 122.820 -0.183 0.000 1.845 236 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 236 A C 2.054 179.498 177.584 -0.233 0.000 1.195 236 A CA 1.730 53.666 52.037 -0.167 0.000 0.616 236 A CB -0.668 18.262 19.000 -0.115 0.000 0.832 236 A HN 0.430 nan 8.150 nan 0.000 0.443 237 I N -0.203 120.185 120.570 -0.303 0.000 2.163 237 I HA -0.324 3.846 4.170 -0.000 0.000 0.243 237 I C 2.727 178.641 176.117 -0.337 0.000 1.085 237 I CA 2.035 63.177 61.300 -0.264 0.000 1.347 237 I CB -0.345 37.502 38.000 -0.255 0.000 1.044 237 I HN 0.541 nan 8.210 nan 0.000 0.408 238 Q N 0.140 119.583 119.800 -0.596 0.000 2.096 238 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 238 Q C 2.318 178.154 176.000 -0.274 0.000 0.982 238 Q CA 2.342 57.842 55.803 -0.504 0.000 0.850 238 Q CB -0.143 28.270 28.738 -0.542 0.000 0.901 238 Q HN 0.640 nan 8.270 nan 0.000 0.422 239 S N -0.420 115.151 115.700 -0.216 0.000 2.447 239 S HA -0.079 4.391 4.470 -0.000 0.000 0.233 239 S C 1.657 176.176 174.600 -0.135 0.000 1.006 239 S CA 0.743 58.861 58.200 -0.137 0.000 0.957 239 S CB -0.173 62.960 63.200 -0.112 0.000 0.773 239 S HN 0.453 nan 8.310 nan 0.000 0.507 240 L N 1.523 122.641 121.223 -0.175 0.000 2.592 240 L HA 0.169 4.509 4.340 -0.000 0.000 0.227 240 L C 2.650 179.546 176.870 0.044 0.000 1.127 240 L CA 0.315 55.038 54.840 -0.195 0.000 0.884 240 L CB -0.362 41.370 42.059 -0.544 0.000 1.065 240 L HN 0.501 nan 8.230 nan 0.000 0.457 241 Q N -0.534 119.210 119.800 -0.093 0.000 2.364 241 Q HA -0.201 4.139 4.340 -0.000 0.000 0.209 241 Q C 1.059 176.897 176.000 -0.270 0.000 0.977 241 Q CA 1.346 57.014 55.803 -0.225 0.000 0.885 241 Q CB -0.160 28.311 28.738 -0.445 0.000 0.941 241 Q HN 0.547 nan 8.270 nan 0.000 0.464 242 H N 0.274 119.406 119.070 0.104 0.000 2.586 242 H HA 0.273 4.829 4.556 -0.000 0.000 0.273 242 H C 0.009 175.456 175.328 0.199 0.000 0.997 242 H CA -0.147 55.962 56.048 0.102 0.000 1.177 242 H CB 0.444 30.231 29.762 0.041 0.000 1.471 242 H HN 0.310 nan 8.280 nan 0.000 0.538 243 E N 1.475 121.910 120.200 0.391 0.000 2.422 243 E HA 0.117 4.467 4.350 -0.000 0.000 0.260 243 E C 0.155 177.077 176.600 0.537 0.000 1.108 243 E CA 0.062 56.706 56.400 0.406 0.000 0.943 243 E CB 1.848 31.765 29.700 0.363 0.000 0.961 243 E HN -0.078 nan 8.360 nan 0.000 0.443 244 V N 0.978 121.107 119.914 0.360 0.000 3.096 244 V HA 0.357 4.477 4.120 -0.000 0.000 0.319 244 V C 0.257 176.462 176.094 0.185 0.000 1.103 244 V CA -0.659 61.830 62.300 0.316 0.000 1.016 244 V CB 2.139 34.075 31.823 0.188 0.000 1.090 244 V HN 0.458 nan 8.190 nan 0.000 0.449 245 V N 1.342 121.342 119.914 0.143 0.000 4.346 245 V HA 0.263 4.383 4.120 -0.000 0.000 0.603 245 V C 0.593 176.698 176.094 0.018 0.000 1.862 245 V CA -0.133 62.160 62.300 -0.013 0.000 2.819 245 V CB 0.811 32.514 31.823 -0.200 0.000 0.917 245 V HN 1.061 nan 8.190 nan 0.000 0.608 246 G N 1.115 109.935 108.800 0.033 0.000 2.138 246 G HA2 0.264 4.224 3.960 -0.000 0.000 0.244 246 G HA3 0.264 4.224 3.960 -0.000 0.000 0.244 246 G C -0.358 174.521 174.900 -0.036 0.000 1.166 246 G CA 0.965 46.065 45.100 -0.000 0.000 0.902 246 G HN 0.547 nan 8.290 nan 0.000 0.460 247 Q N 1.772 121.540 119.800 -0.053 0.000 2.782 247 Q HA 0.403 4.743 4.340 -0.000 0.000 0.308 247 Q C -2.421 173.545 176.000 -0.057 0.000 0.883 247 Q CA -1.135 54.642 55.803 -0.043 0.000 0.755 247 Q CB 1.764 30.489 28.738 -0.021 0.000 1.454 247 Q HN 0.457 nan 8.270 nan 0.000 0.452 248 P HA 0.716 nan 4.420 nan 0.000 0.317 248 P C -1.872 175.402 177.300 -0.044 0.000 1.307 248 P CA -0.499 62.572 63.100 -0.049 0.000 0.749 248 P CB 0.813 32.499 31.700 -0.024 0.000 1.377 249 A N -0.535 122.265 122.820 -0.033 0.000 2.589 249 A HA 0.581 4.901 4.320 -0.000 0.000 0.296 249 A C -1.109 176.490 177.584 0.024 0.000 1.062 249 A CA -0.505 51.520 52.037 -0.020 0.000 0.686 249 A CB 0.396 19.362 19.000 -0.056 0.000 1.282 249 A HN 0.357 nan 8.150 nan 0.000 0.404 250 I N 2.447 123.052 120.570 0.058 0.000 2.496 250 I HA 0.285 4.455 4.170 -0.000 0.000 0.285 250 I C 0.397 176.644 176.117 0.216 0.000 1.080 250 I CA 0.447 61.816 61.300 0.115 0.000 1.404 250 I CB 0.614 38.682 38.000 0.113 0.000 1.403 250 I HN 0.714 nan 8.210 nan 0.000 0.539 251 H N 7.038 126.148 119.070 0.066 0.000 3.096 251 H HA 0.493 5.049 4.556 -0.000 0.000 0.335 251 H C -1.337 174.006 175.328 0.024 0.000 0.990 251 H CA -0.919 55.153 56.048 0.039 0.000 1.393 251 H CB 0.953 30.695 29.762 -0.033 0.000 1.742 251 H HN 0.579 nan 8.280 nan 0.000 0.501 252 R N 3.883 124.304 120.500 -0.132 0.000 2.686 252 R HA 0.306 4.646 4.340 -0.000 0.000 0.283 252 R C -1.041 175.008 176.300 -0.419 0.000 0.978 252 R CA -0.967 55.013 56.100 -0.200 0.000 0.897 252 R CB 3.020 33.409 30.300 0.148 0.000 1.192 252 R HN 0.636 nan 8.270 nan 0.000 0.457 253 Q N 1.319 120.871 119.800 -0.413 0.000 2.330 253 Q HA 0.207 4.547 4.340 -0.000 0.000 0.269 253 Q C -0.875 174.961 176.000 -0.273 0.000 1.022 253 Q CA -0.669 54.860 55.803 -0.457 0.000 0.796 253 Q CB 3.046 31.566 28.738 -0.363 0.000 1.271 253 Q HN 0.471 nan 8.270 nan 0.000 0.450 254 E N 2.428 122.430 120.200 -0.329 0.000 2.452 254 E HA -0.119 4.231 4.350 -0.000 0.000 0.261 254 E C -0.574 176.079 176.600 0.089 0.000 0.987 254 E CA -0.003 56.391 56.400 -0.009 0.000 0.926 254 E CB 0.603 30.348 29.700 0.074 0.000 0.934 254 E HN 0.492 nan 8.360 nan 0.000 0.452 255 H N 6.117 125.181 119.070 -0.010 0.000 2.848 255 H HA 0.140 4.696 4.556 -0.000 0.000 0.317 255 H C -2.101 173.121 175.328 -0.176 0.000 1.046 255 H CA -1.710 54.296 56.048 -0.070 0.000 1.470 255 H CB 0.740 30.448 29.762 -0.089 0.000 1.483 255 H HN 0.378 nan 8.280 nan 0.000 0.548 256 P HA 0.105 nan 4.420 nan 0.000 0.275 256 P C -0.293 176.485 177.300 -0.869 0.000 1.228 256 P CA 0.007 62.424 63.100 -1.139 0.000 0.786 256 P CB 1.315 32.618 31.700 -0.661 0.000 0.927 257 H N 0.688 119.212 119.070 -0.910 0.000 2.534 257 H HA 0.255 4.811 4.556 -0.000 0.000 0.364 257 H C 0.975 176.205 175.328 -0.163 0.000 1.328 257 H CA -0.809 55.069 56.048 -0.285 0.000 1.415 257 H CB 0.759 30.516 29.762 -0.009 0.000 1.573 257 H HN 0.264 nan 8.280 nan 0.000 0.601 258 R N 1.362 121.914 120.500 0.087 0.000 2.570 258 R HA 0.007 4.347 4.340 -0.000 0.000 0.277 258 R C -0.586 175.761 176.300 0.077 0.000 1.039 258 R CA -0.120 56.022 56.100 0.070 0.000 1.065 258 R CB 0.357 30.691 30.300 0.056 0.000 0.964 258 R HN 0.340 nan 8.270 nan 0.000 0.428 259 V N 6.624 126.555 119.914 0.028 0.000 2.720 259 V HA -0.027 4.093 4.120 -0.000 0.000 0.307 259 V C -1.717 174.310 176.094 -0.111 0.000 1.071 259 V CA -0.791 61.471 62.300 -0.063 0.000 1.199 259 V CB -0.148 31.463 31.823 -0.354 0.000 0.900 259 V HN 0.688 nan 8.190 nan 0.000 0.494 260 P HA 0.175 nan 4.420 nan 0.000 0.271 260 P C 0.945 178.096 177.300 -0.248 0.000 1.218 260 P CA -0.234 62.765 63.100 -0.168 0.000 0.780 260 P CB 0.759 32.305 31.700 -0.257 0.000 0.901 261 V N 2.637 122.469 119.914 -0.137 0.000 2.255 261 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 261 V C 2.360 178.394 176.094 -0.099 0.000 1.051 261 V CA 2.287 64.526 62.300 -0.102 0.000 1.018 261 V CB -1.568 30.241 31.823 -0.023 0.000 0.641 261 V HN 0.795 nan 8.190 nan 0.000 0.445 262 H N -0.702 118.350 119.070 -0.030 0.000 2.489 262 H HA -0.144 4.412 4.556 -0.000 0.000 0.295 262 H C 2.100 177.415 175.328 -0.021 0.000 1.082 262 H CA 2.113 58.148 56.048 -0.023 0.000 1.295 262 H CB -0.252 29.501 29.762 -0.015 0.000 1.380 262 H HN 0.447 nan 8.280 nan 0.000 0.548 263 I N 1.099 121.370 120.570 -0.498 0.000 2.494 263 I HA -0.038 4.132 4.170 -0.000 0.000 0.250 263 I C 2.981 179.018 176.117 -0.134 0.000 1.112 263 I CA 0.778 61.921 61.300 -0.262 0.000 1.438 263 I CB -0.199 37.628 38.000 -0.289 0.000 1.111 263 I HN 0.305 nan 8.210 nan 0.000 0.431 264 A N 0.099 122.786 122.820 -0.221 0.000 1.969 264 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 264 A C 1.738 179.282 177.584 -0.066 0.000 1.169 264 A CA 1.253 53.150 52.037 -0.234 0.000 0.635 264 A CB -0.452 18.268 19.000 -0.466 0.000 0.810 264 A HN 0.415 nan 8.150 nan 0.000 0.445 265 E N 0.067 120.236 120.200 -0.053 0.000 2.304 265 E HA 0.116 4.466 4.350 -0.000 0.000 0.212 265 E C -0.543 176.061 176.600 0.007 0.000 1.185 265 E CA -0.241 56.152 56.400 -0.012 0.000 1.326 265 E CB 0.000 29.695 29.700 -0.008 0.000 1.283 265 E HN 0.630 nan 8.360 nan 0.000 0.440 266 R N -1.161 119.349 120.500 0.018 0.000 2.795 266 R HA 0.534 4.874 4.340 -0.000 0.000 0.275 266 R C -0.706 175.605 176.300 0.018 0.000 0.981 266 R CA -0.978 55.133 56.100 0.019 0.000 0.917 266 R CB 1.338 31.656 30.300 0.030 0.000 1.202 266 R HN -0.184 nan 8.270 nan 0.000 0.469 267 V N 1.410 121.318 119.914 -0.010 0.000 2.465 267 V HA 0.301 4.421 4.120 -0.000 0.000 0.279 267 V C 1.224 177.325 176.094 0.012 0.000 1.045 267 V CA -0.165 62.109 62.300 -0.043 0.000 0.938 267 V CB 1.357 33.106 31.823 -0.124 0.000 0.986 267 V HN 1.095 nan 8.190 nan 0.000 0.467 268 G N 3.763 112.612 108.800 0.080 0.000 3.026 268 G HA2 0.237 4.197 3.960 -0.000 0.000 0.208 268 G HA3 0.237 4.197 3.960 -0.000 0.000 0.208 268 G C 0.097 175.221 174.900 0.373 0.000 1.169 268 G CA 0.669 45.907 45.100 0.228 0.000 0.788 268 G HN 0.954 nan 8.290 nan 0.000 0.533 269 Y N -2.873 117.478 120.300 0.086 0.000 2.774 269 Y HA 0.485 5.035 4.550 -0.000 0.000 0.346 269 Y C -2.122 173.801 175.900 0.039 0.000 1.222 269 Y CA -2.069 56.081 58.100 0.082 0.000 1.088 269 Y CB 0.700 39.201 38.460 0.068 0.000 1.354 269 Y HN -0.101 nan 8.280 nan 0.000 0.455 270 D N 1.468 122.001 120.400 0.221 0.000 2.428 270 D HA 0.300 4.940 4.640 -0.000 0.000 0.221 270 D C 0.703 177.077 176.300 0.123 0.000 1.123 270 D CA -0.129 53.920 54.000 0.082 0.000 0.869 270 D CB 1.757 42.627 40.800 0.117 0.000 1.032 270 D HN 0.549 nan 8.370 nan 0.000 0.506 271 V N 4.288 124.148 119.914 -0.089 0.000 2.255 271 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 271 V C 2.382 178.514 176.094 0.063 0.000 1.051 271 V CA 2.177 64.462 62.300 -0.025 0.000 1.018 271 V CB -0.600 31.122 31.823 -0.167 0.000 0.641 271 V HN 0.694 nan 8.190 nan 0.000 0.445 272 E N 0.225 120.449 120.200 0.040 0.000 2.097 272 E HA -0.279 4.071 4.350 -0.000 0.000 0.196 272 E C 2.183 178.860 176.600 0.128 0.000 1.000 272 E CA 1.662 58.102 56.400 0.067 0.000 0.804 272 E CB -0.259 29.468 29.700 0.044 0.000 0.740 272 E HN 0.569 nan 8.360 nan 0.000 0.454 273 A N 0.186 123.093 122.820 0.144 0.000 1.898 273 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 273 A C 2.394 180.088 177.584 0.182 0.000 1.181 273 A CA 1.934 54.079 52.037 0.181 0.000 0.620 273 A CB -0.914 18.179 19.000 0.154 0.000 0.819 273 A HN 0.361 nan 8.150 nan 0.000 0.442 274 T N 0.744 115.402 114.554 0.174 0.000 2.720 274 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 274 T C 1.800 176.563 174.700 0.105 0.000 1.037 274 T CA 1.587 63.763 62.100 0.127 0.000 1.144 274 T CB -0.437 68.502 68.868 0.117 0.000 0.864 274 T HN 0.382 nan 8.240 nan 0.000 0.444 275 L N -0.073 121.224 121.223 0.124 0.000 2.046 275 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 275 L C 2.554 179.550 176.870 0.210 0.000 1.077 275 L CA 1.653 56.578 54.840 0.142 0.000 0.747 275 L CB -0.715 41.424 42.059 0.134 0.000 0.896 275 L HN 0.449 nan 8.230 nan 0.000 0.432 276 H N 0.081 119.204 119.070 0.089 0.000 2.352 276 H HA -0.233 4.322 4.556 -0.000 0.000 0.299 276 H C 2.458 177.847 175.328 0.100 0.000 1.097 276 H CA 1.416 57.516 56.048 0.087 0.000 1.311 276 H CB 0.315 30.121 29.762 0.073 0.000 1.377 276 H HN 0.041 nan 8.280 nan 0.000 0.504 277 R N 0.835 121.415 120.500 0.133 0.000 2.148 277 R HA -0.083 4.257 4.340 -0.000 0.000 0.227 277 R C 2.185 178.568 176.300 0.138 0.000 1.103 277 R CA 0.774 56.917 56.100 0.071 0.000 0.983 277 R CB -0.796 29.602 30.300 0.163 0.000 0.874 277 R HN 0.367 nan 8.270 nan 0.000 0.451 278 L N -0.054 121.259 121.223 0.151 0.000 2.265 278 L HA 0.039 4.379 4.340 -0.000 0.000 0.215 278 L C 1.460 178.496 176.870 0.277 0.000 1.117 278 L CA 1.685 56.618 54.840 0.154 0.000 0.782 278 L CB -0.159 41.988 42.059 0.147 0.000 0.914 278 L HN 0.280 nan 8.230 nan 0.000 0.441 279 M N -1.558 118.215 119.600 0.288 0.000 2.428 279 M HA 0.120 4.600 4.480 -0.000 0.000 0.239 279 M C 0.231 176.744 176.300 0.356 0.000 1.121 279 M CA 0.180 55.709 55.300 0.382 0.000 1.019 279 M CB 0.215 32.985 32.600 0.283 0.000 1.485 279 M HN 0.186 nan 8.290 nan 0.000 0.484 280 Q N -0.835 119.054 119.800 0.149 0.000 2.306 280 Q HA 0.316 4.656 4.340 -0.000 0.000 0.269 280 Q C -0.279 175.655 176.000 -0.110 0.000 1.053 280 Q CA -0.901 54.864 55.803 -0.064 0.000 0.879 280 Q CB 1.053 29.578 28.738 -0.355 0.000 1.344 280 Q HN 0.202 nan 8.270 nan 0.000 0.464 281 H N -1.704 117.385 119.070 0.032 0.000 2.820 281 H HA -0.183 4.373 4.556 -0.000 0.000 0.295 281 H C -1.090 174.180 175.328 -0.097 0.000 1.187 281 H CA 0.557 56.585 56.048 -0.032 0.000 1.144 281 H CB -1.742 27.974 29.762 -0.078 0.000 1.354 281 H HN 0.534 nan 8.280 nan 0.000 0.395 282 W N 0.189 121.541 121.300 0.086 0.000 2.093 282 W HA 0.393 5.053 4.660 -0.000 0.000 0.352 282 W C 0.799 177.342 176.519 0.040 0.000 1.294 282 W CA 0.683 58.060 57.345 0.053 0.000 1.290 282 W CB 0.916 30.391 29.460 0.025 0.000 1.149 282 W HN 0.034 nan 8.180 nan 0.000 0.606 283 T N 1.482 116.250 114.554 0.357 0.000 3.097 283 T HA 0.151 4.501 4.350 -0.000 0.000 0.332 283 T C -2.028 172.773 174.700 0.168 0.000 1.269 283 T CA -0.992 61.216 62.100 0.180 0.000 1.076 283 T CB 1.619 70.537 68.868 0.084 0.000 1.209 283 T HN -0.004 nan 8.240 nan 0.000 0.474 284 P HA -0.066 nan 4.420 nan 0.000 0.215 284 P C 1.471 178.799 177.300 0.046 0.000 1.153 284 P CA 0.842 63.979 63.100 0.063 0.000 0.853 284 P CB 0.262 31.982 31.700 0.033 0.000 0.788 285 R N -0.041 120.472 120.500 0.021 0.000 2.096 285 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 285 R C 2.281 178.547 176.300 -0.058 0.000 1.127 285 R CA 1.514 57.598 56.100 -0.025 0.000 0.968 285 R CB -0.473 29.799 30.300 -0.046 0.000 0.861 285 R HN 0.211 nan 8.270 nan 0.000 0.440 286 Q N -0.569 119.222 119.800 -0.015 0.000 2.084 286 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 286 Q C 2.095 178.148 176.000 0.087 0.000 0.978 286 Q CA 1.776 57.564 55.803 -0.025 0.000 0.844 286 Q CB 0.081 28.826 28.738 0.013 0.000 0.898 286 Q HN 0.207 nan 8.270 nan 0.000 0.426 287 V N 1.137 121.158 119.914 0.178 0.000 2.407 287 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 287 V C 2.147 178.268 176.094 0.045 0.000 1.055 287 V CA 1.979 64.356 62.300 0.129 0.000 1.049 287 V CB -0.541 31.308 31.823 0.042 0.000 0.662 287 V HN 0.407 nan 8.190 nan 0.000 0.455 288 E N -0.127 120.081 120.200 0.013 0.000 2.047 288 E HA -0.209 4.141 4.350 -0.000 0.000 0.191 288 E C 2.198 178.789 176.600 -0.015 0.000 0.987 288 E CA 1.022 57.419 56.400 -0.006 0.000 0.799 288 E CB -0.070 29.619 29.700 -0.018 0.000 0.752 288 E HN 0.361 nan 8.360 nan 0.000 0.449 289 L N 1.149 122.324 121.223 -0.080 0.000 2.189 289 L HA -0.189 4.151 4.340 -0.000 0.000 0.214 289 L C 2.280 179.188 176.870 0.062 0.000 1.097 289 L CA 1.306 56.061 54.840 -0.142 0.000 0.764 289 L CB -0.698 41.061 42.059 -0.500 0.000 0.900 289 L HN 0.271 nan 8.230 nan 0.000 0.436 290 L N -1.275 120.005 121.223 0.095 0.000 2.362 290 L HA -0.176 4.164 4.340 -0.000 0.000 0.219 290 L C 2.277 179.313 176.870 0.277 0.000 1.134 290 L CA 0.297 55.273 54.840 0.226 0.000 0.807 290 L CB -0.329 41.782 42.059 0.086 0.000 0.927 290 L HN 0.192 nan 8.230 nan 0.000 0.447 291 E N 0.522 120.807 120.200 0.141 0.000 2.273 291 E HA -0.202 4.148 4.350 -0.000 0.000 0.198 291 E C 2.011 178.663 176.600 0.088 0.000 1.002 291 E CA 1.097 57.551 56.400 0.090 0.000 0.828 291 E CB -0.214 29.509 29.700 0.038 0.000 0.747 291 E HN 0.455 nan 8.360 nan 0.000 0.491 292 L N -0.607 120.674 121.223 0.096 0.000 2.552 292 L HA 0.046 4.386 4.340 -0.000 0.000 0.227 292 L C 0.097 176.842 176.870 -0.209 0.000 1.146 292 L CA -0.108 54.662 54.840 -0.117 0.000 0.858 292 L CB -0.006 41.883 42.059 -0.283 0.000 0.969 292 L HN -0.012 nan 8.230 nan 0.000 0.451 293 F N -0.705 119.285 119.950 0.067 0.000 2.483 293 F HA 0.268 4.795 4.527 -0.000 0.000 0.329 293 F C 1.185 177.029 175.800 0.075 0.000 1.064 293 F CA -1.296 56.759 58.000 0.092 0.000 0.986 293 F CB 0.860 39.928 39.000 0.114 0.000 1.218 293 F HN -0.195 nan 8.300 nan 0.000 0.484 294 T N -2.069 112.651 114.554 0.277 0.000 2.939 294 T HA -0.008 4.342 4.350 -0.000 0.000 0.319 294 T C 1.125 175.922 174.700 0.162 0.000 1.082 294 T CA -0.101 62.110 62.100 0.186 0.000 1.133 294 T CB 0.525 69.503 68.868 0.183 0.000 1.019 294 T HN 0.688 nan 8.240 nan 0.000 0.548 295 T N 4.196 118.813 114.554 0.105 0.000 2.653 295 T HA -0.071 4.279 4.350 -0.000 0.000 0.268 295 T C -0.706 174.017 174.700 0.037 0.000 1.035 295 T CA 1.871 64.008 62.100 0.062 0.000 1.154 295 T CB -1.408 67.486 68.868 0.043 0.000 0.862 295 T HN 0.621 nan 8.240 nan 0.000 0.441 296 P HA -0.019 nan 4.420 nan 0.000 0.215 296 P C 1.644 178.917 177.300 -0.044 0.000 1.153 296 P CA 0.619 63.751 63.100 0.052 0.000 0.853 296 P CB -0.221 31.575 31.700 0.159 0.000 0.788 297 V N -0.141 119.830 119.914 0.096 0.000 2.358 297 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 297 V C 2.694 178.717 176.094 -0.119 0.000 1.047 297 V CA 1.742 64.090 62.300 0.081 0.000 1.035 297 V CB -0.981 31.017 31.823 0.293 0.000 0.658 297 V HN 0.057 nan 8.190 nan 0.000 0.452 298 R N 0.028 120.516 120.500 -0.020 0.000 2.070 298 R HA -0.159 4.181 4.340 -0.000 0.000 0.233 298 R C 2.389 178.607 176.300 -0.137 0.000 1.137 298 R CA 1.645 57.725 56.100 -0.032 0.000 0.945 298 R CB -0.165 30.165 30.300 0.049 0.000 0.845 298 R HN 0.429 nan 8.270 nan 0.000 0.430 299 E N -0.241 119.862 120.200 -0.162 0.000 2.077 299 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 299 E C 1.904 178.300 176.600 -0.341 0.000 0.989 299 E CA 1.349 57.632 56.400 -0.196 0.000 0.800 299 E CB -0.610 29.006 29.700 -0.140 0.000 0.746 299 E HN 0.588 nan 8.360 nan 0.000 0.452 300 G N 1.746 110.158 108.800 -0.647 0.000 2.514 300 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.217 300 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.217 300 G C 1.644 176.111 174.900 -0.721 0.000 1.198 300 G CA 0.575 44.941 45.100 -1.224 0.000 0.780 300 G HN 0.201 nan 8.290 nan 0.000 0.565 301 L N 0.007 120.941 121.223 -0.481 0.000 2.083 301 L HA -0.029 4.311 4.340 -0.000 0.000 0.209 301 L C 3.189 180.087 176.870 0.046 0.000 1.083 301 L CA 1.157 56.005 54.840 0.013 0.000 0.752 301 L CB -0.375 41.756 42.059 0.120 0.000 0.899 301 L HN 0.275 nan 8.230 nan 0.000 0.433 302 R N -0.994 119.431 120.500 -0.124 0.000 2.096 302 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 302 R C 2.047 178.182 176.300 -0.276 0.000 1.127 302 R CA 1.834 57.780 56.100 -0.256 0.000 0.968 302 R CB -0.456 29.715 30.300 -0.215 0.000 0.861 302 R HN 0.364 nan 8.270 nan 0.000 0.440 303 T N 0.393 114.838 114.554 -0.182 0.000 2.803 303 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 303 T C 1.904 176.555 174.700 -0.083 0.000 1.052 303 T CA 1.224 63.245 62.100 -0.133 0.000 1.136 303 T CB -0.399 68.407 68.868 -0.104 0.000 0.864 303 T HN 0.386 nan 8.240 nan 0.000 0.467 304 C N 1.777 121.082 119.300 0.008 0.000 2.413 304 C HA -0.079 4.381 4.460 -0.000 0.000 0.292 304 C C 2.667 177.716 174.990 0.097 0.000 1.435 304 C CA 0.356 59.473 59.018 0.164 0.000 1.791 304 C CB -1.441 26.539 27.740 0.401 0.000 1.784 304 C HN 0.623 nan 8.230 nan 0.000 0.548 305 Q N -0.006 119.607 119.800 -0.312 0.000 2.230 305 Q HA -0.071 4.269 4.340 -0.000 0.000 0.202 305 Q C 2.235 178.127 176.000 -0.179 0.000 0.963 305 Q CA 1.047 56.547 55.803 -0.505 0.000 0.866 305 Q CB -0.018 28.219 28.738 -0.834 0.000 0.931 305 Q HN 0.715 nan 8.270 nan 0.000 0.452 306 R N 0.021 120.448 120.500 -0.122 0.000 2.191 306 R HA 0.184 4.524 4.340 -0.000 0.000 0.196 306 R C 0.622 176.916 176.300 -0.011 0.000 0.991 306 R CA 0.316 56.377 56.100 -0.064 0.000 1.075 306 R CB 0.557 30.809 30.300 -0.080 0.000 1.040 306 R HN 0.079 nan 8.270 nan 0.000 0.526 307 R N 0.292 120.798 120.500 0.009 0.000 2.716 307 R HA 0.397 4.737 4.340 -0.000 0.000 0.271 307 R C -3.322 173.027 176.300 0.082 0.000 1.028 307 R CA -2.051 54.073 56.100 0.040 0.000 0.883 307 R CB 1.120 31.426 30.300 0.009 0.000 1.250 307 R HN -0.266 nan 8.270 nan 0.000 0.465 308 P HA 0.231 nan 4.420 nan 0.000 0.271 308 P C -1.243 176.135 177.300 0.130 0.000 1.220 308 P CA -0.128 63.090 63.100 0.196 0.000 0.768 308 P CB 1.288 33.150 31.700 0.269 0.000 0.848 309 A N 3.059 125.994 122.820 0.192 0.000 2.393 309 A HA 0.736 5.056 4.320 -0.000 0.000 0.306 309 A C -0.478 177.299 177.584 0.322 0.000 1.050 309 A CA -0.467 51.624 52.037 0.090 0.000 0.724 309 A CB 0.468 19.557 19.000 0.148 0.000 1.248 309 A HN 0.583 nan 8.150 nan 0.000 0.424 310 F N -0.153 119.900 119.950 0.172 0.000 3.043 310 F HA 0.239 4.766 4.527 -0.000 0.000 0.400 310 F C 0.886 176.507 175.800 -0.298 0.000 1.022 310 F CA -0.354 57.545 58.000 -0.168 0.000 1.005 310 F CB -0.353 38.553 39.000 -0.156 0.000 1.338 310 F HN 0.367 nan 8.300 nan 0.000 0.543 311 N N 2.281 120.839 118.700 -0.236 0.000 2.205 311 N HA -0.182 4.558 4.740 -0.000 0.000 0.186 311 N C 1.732 177.229 175.510 -0.023 0.000 1.015 311 N CA 2.154 55.157 53.050 -0.078 0.000 0.862 311 N CB -0.686 37.744 38.487 -0.096 0.000 0.986 311 N HN 0.614 nan 8.380 nan 0.000 0.429 312 F N -0.119 119.844 119.950 0.021 0.000 2.269 312 F HA 0.050 4.577 4.527 -0.000 0.000 0.301 312 F C 1.296 177.167 175.800 0.118 0.000 1.082 312 F CA 0.340 58.377 58.000 0.062 0.000 1.360 312 F CB -0.637 38.395 39.000 0.053 0.000 1.041 312 F HN -0.132 nan 8.300 nan 0.000 0.512 313 M N 3.439 122.563 119.600 -0.793 0.000 3.586 313 M HA 0.182 4.662 4.480 -0.000 0.000 0.225 313 M C -0.607 175.647 176.300 -0.076 0.000 1.428 313 M CA -1.193 53.855 55.300 -0.420 0.000 1.613 313 M CB -1.604 30.610 32.600 -0.643 0.000 1.063 313 M HN 0.367 nan 8.290 nan 0.000 0.593 314 D N -0.734 119.705 120.400 0.066 0.000 2.447 314 D HA 0.084 4.724 4.640 -0.000 0.000 0.265 314 D C 0.696 177.149 176.300 0.255 0.000 1.250 314 D CA -0.296 53.784 54.000 0.135 0.000 1.046 314 D CB 0.332 41.217 40.800 0.140 0.000 1.095 314 D HN 0.436 nan 8.370 nan 0.000 0.555 315 E N -1.331 119.041 120.200 0.286 0.000 2.086 315 E HA -0.239 4.110 4.350 -0.000 0.000 0.205 315 E C 1.904 178.784 176.600 0.467 0.000 1.027 315 E CA 1.636 58.261 56.400 0.375 0.000 0.830 315 E CB -0.107 29.715 29.700 0.204 0.000 0.751 315 E HN 0.375 nan 8.360 nan 0.000 0.456 316 M N -0.360 119.439 119.600 0.332 0.000 2.156 316 M HA -0.028 4.452 4.480 -0.000 0.000 0.264 316 M C 2.321 178.793 176.300 0.286 0.000 1.067 316 M CA 1.245 56.726 55.300 0.302 0.000 1.131 316 M CB -1.193 31.541 32.600 0.222 0.000 1.368 316 M HN 0.117 nan 8.290 nan 0.000 0.416 317 A N -0.578 122.417 122.820 0.291 0.000 1.940 317 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 317 A C 2.205 180.006 177.584 0.362 0.000 1.176 317 A CA 1.483 53.706 52.037 0.310 0.000 0.631 317 A CB -1.288 17.905 19.000 0.323 0.000 0.814 317 A HN 0.761 nan 8.150 nan 0.000 0.446 318 W N 0.466 121.885 121.300 0.198 0.000 2.381 318 W HA -0.096 4.564 4.660 -0.000 0.000 0.301 318 W C 2.253 178.869 176.519 0.162 0.000 1.205 318 W CA 1.437 58.898 57.345 0.193 0.000 1.285 318 W CB -0.118 29.465 29.460 0.205 0.000 1.133 318 W HN 0.426 nan 8.180 nan 0.000 0.521 319 A N 1.101 123.945 122.820 0.040 0.000 1.902 319 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 319 A C 2.127 179.672 177.584 -0.064 0.000 1.181 319 A CA 2.463 54.349 52.037 -0.251 0.000 0.623 319 A CB -1.348 17.533 19.000 -0.197 0.000 0.818 319 A HN 0.310 nan 8.150 nan 0.000 0.443 320 A N -0.900 121.983 122.820 0.105 0.000 1.908 320 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 320 A C 2.301 179.967 177.584 0.136 0.000 1.181 320 A CA 2.415 54.551 52.037 0.164 0.000 0.627 320 A CB -1.311 17.799 19.000 0.183 0.000 0.818 320 A HN 0.439 nan 8.150 nan 0.000 0.445 321 T N -1.940 112.676 114.554 0.103 0.000 2.777 321 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 321 T C 1.763 176.416 174.700 -0.079 0.000 1.040 321 T CA 1.549 63.741 62.100 0.153 0.000 1.141 321 T CB -0.398 68.529 68.868 0.098 0.000 0.868 321 T HN 0.545 nan 8.240 nan 0.000 0.444 322 Y N 1.269 121.259 120.300 -0.517 0.000 2.181 322 Y HA -0.232 4.318 4.550 -0.000 0.000 0.288 322 Y C 2.714 178.421 175.900 -0.321 0.000 1.146 322 Y CA 1.545 59.299 58.100 -0.577 0.000 1.164 322 Y CB -0.150 37.832 38.460 -0.797 0.000 0.982 322 Y HN 0.339 nan 8.280 nan 0.000 0.515 323 H N -1.438 117.648 119.070 0.026 0.000 2.321 323 H HA -0.169 4.387 4.556 -0.000 0.000 0.300 323 H C 2.487 177.784 175.328 -0.051 0.000 1.087 323 H CA 1.905 57.947 56.048 -0.010 0.000 1.319 323 H CB -0.719 29.024 29.762 -0.031 0.000 1.379 323 H HN 0.263 nan 8.280 nan 0.000 0.501 324 V N 1.466 121.406 119.914 0.044 0.000 2.324 324 V HA -0.257 3.863 4.120 -0.000 0.000 0.250 324 V C 2.893 178.960 176.094 -0.045 0.000 1.060 324 V CA 1.504 63.760 62.300 -0.073 0.000 1.042 324 V CB -0.775 30.766 31.823 -0.471 0.000 0.650 324 V HN 0.219 nan 8.190 nan 0.000 0.450 325 L N -0.954 120.249 121.223 -0.034 0.000 2.017 325 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 325 L C 2.452 179.347 176.870 0.042 0.000 1.073 325 L CA 1.562 56.365 54.840 -0.061 0.000 0.745 325 L CB -0.549 41.250 42.059 -0.433 0.000 0.894 325 L HN 0.278 nan 8.230 nan 0.000 0.432 326 L N -0.350 120.915 121.223 0.071 0.000 2.081 326 L HA -0.282 4.058 4.340 -0.000 0.000 0.212 326 L C 2.549 179.370 176.870 -0.082 0.000 1.080 326 L CA 1.664 56.512 54.840 0.012 0.000 0.754 326 L CB -0.375 41.656 42.059 -0.046 0.000 0.893 326 L HN 0.404 nan 8.230 nan 0.000 0.433 327 E N -1.570 118.548 120.200 -0.138 0.000 2.400 327 E HA -0.108 4.241 4.350 -0.000 0.000 0.195 327 E C 1.257 177.537 176.600 -0.534 0.000 1.012 327 E CA 0.464 56.675 56.400 -0.315 0.000 0.875 327 E CB 0.308 29.794 29.700 -0.356 0.000 0.859 327 E HN 0.623 nan 8.360 nan 0.000 0.498 328 H N -1.973 116.964 119.070 -0.222 0.000 3.583 328 H HA 0.157 4.713 4.556 -0.000 0.000 0.251 328 H C -0.482 174.273 175.328 -0.956 0.000 1.060 328 H CA -0.502 55.312 56.048 -0.390 0.000 1.159 328 H CB 0.464 30.085 29.762 -0.234 0.000 1.496 328 H HN 0.023 nan 8.280 nan 0.000 0.540 329 F N 3.216 122.589 119.950 -0.961 0.000 2.602 329 F HA 0.051 4.578 4.527 -0.000 0.000 0.385 329 F C 0.079 175.456 175.800 -0.705 0.000 1.063 329 F CA -0.027 57.288 58.000 -1.141 0.000 1.233 329 F CB 0.597 39.368 39.000 -0.380 0.000 1.067 329 F HN 0.024 nan 8.300 nan 0.000 0.564 330 Q N 8.458 127.359 119.800 -1.499 0.000 2.431 330 Q HA 0.316 4.656 4.340 -0.000 0.000 0.249 330 Q C -2.379 173.121 176.000 -0.833 0.000 1.025 330 Q CA -2.150 53.173 55.803 -0.799 0.000 0.835 330 Q CB 1.292 29.806 28.738 -0.375 0.000 1.207 330 Q HN 0.403 nan 8.270 nan 0.000 0.490 331 P HA 0.053 nan 4.420 nan 0.000 0.265 331 P C 0.729 177.954 177.300 -0.124 0.000 1.193 331 P CA 0.728 63.724 63.100 -0.174 0.000 0.765 331 P CB 0.718 32.461 31.700 0.072 0.000 0.823 332 G N 1.739 110.510 108.800 -0.048 0.000 2.199 332 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.254 332 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.254 332 G C 0.122 175.008 174.900 -0.022 0.000 0.982 332 G CA 0.051 45.141 45.100 -0.016 0.000 0.632 332 G HN 0.664 nan 8.290 nan 0.000 0.529 333 D N 1.411 121.782 120.400 -0.049 0.000 2.339 333 D HA 0.371 5.011 4.640 -0.000 0.000 0.241 333 D C -0.104 176.214 176.300 0.030 0.000 1.183 333 D CA -1.721 52.288 54.000 0.014 0.000 0.859 333 D CB 1.493 42.353 40.800 0.099 0.000 1.067 333 D HN 0.175 nan 8.370 nan 0.000 0.484 334 P HA -0.144 nan 4.420 nan 0.000 0.218 334 P C 0.724 178.021 177.300 -0.004 0.000 1.148 334 P CA 0.845 63.945 63.100 0.001 0.000 0.822 334 P CB 0.591 32.279 31.700 -0.019 0.000 0.784 335 D N -0.952 119.431 120.400 -0.028 0.000 2.097 335 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 335 D C 2.085 178.335 176.300 -0.083 0.000 0.984 335 D CA 1.031 54.975 54.000 -0.094 0.000 0.826 335 D CB -0.850 39.851 40.800 -0.165 0.000 0.973 335 D HN 0.262 nan 8.370 nan 0.000 0.460 336 W N 1.749 123.029 121.300 -0.034 0.000 2.342 336 W HA -0.111 4.549 4.660 -0.000 0.000 0.297 336 W C 2.515 179.133 176.519 0.165 0.000 1.213 336 W CA 0.742 58.081 57.345 -0.009 0.000 1.251 336 W CB -0.074 29.193 29.460 -0.321 0.000 1.136 336 W HN 0.065 nan 8.180 nan 0.000 0.526 337 E N -0.201 120.198 120.200 0.332 0.000 2.072 337 E HA -0.262 4.088 4.350 -0.000 0.000 0.191 337 E C 1.873 178.617 176.600 0.240 0.000 0.985 337 E CA 1.478 58.089 56.400 0.353 0.000 0.801 337 E CB -0.195 29.623 29.700 0.197 0.000 0.750 337 E HN 0.124 nan 8.360 nan 0.000 0.452 338 E N 1.015 121.285 120.200 0.116 0.000 2.072 338 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 338 E C 1.913 178.558 176.600 0.075 0.000 0.985 338 E CA 0.600 57.040 56.400 0.067 0.000 0.801 338 E CB -0.259 29.410 29.700 -0.052 0.000 0.750 338 E HN 0.086 nan 8.360 nan 0.000 0.452 339 L N 0.268 121.504 121.223 0.021 0.000 1.990 339 L HA -0.142 4.198 4.340 -0.000 0.000 0.213 339 L C 2.392 179.330 176.870 0.114 0.000 1.072 339 L CA 1.936 56.773 54.840 -0.005 0.000 0.755 339 L CB -1.063 40.973 42.059 -0.039 0.000 0.889 339 L HN 0.416 nan 8.230 nan 0.000 0.432 340 L N -1.285 120.090 121.223 0.252 0.000 2.042 340 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 340 L C 2.337 179.317 176.870 0.184 0.000 1.076 340 L CA 1.940 56.873 54.840 0.155 0.000 0.749 340 L CB -0.949 41.124 42.059 0.024 0.000 0.893 340 L HN 0.363 nan 8.230 nan 0.000 0.432 341 F N 0.286 120.280 119.950 0.073 0.000 2.075 341 F HA -0.238 4.289 4.527 -0.000 0.000 0.297 341 F C 2.343 178.238 175.800 0.157 0.000 1.113 341 F CA 1.952 60.019 58.000 0.111 0.000 1.218 341 F CB -0.145 38.883 39.000 0.047 0.000 0.984 341 F HN 0.013 nan 8.300 nan 0.000 0.472 342 K N 0.002 120.354 120.400 -0.079 0.000 2.026 342 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 342 K C 1.911 178.461 176.600 -0.083 0.000 1.048 342 K CA 1.274 57.445 56.287 -0.194 0.000 0.929 342 K CB -0.537 31.872 32.500 -0.152 0.000 0.713 342 K HN 0.205 nan 8.250 nan 0.000 0.439 343 L N 0.382 121.629 121.223 0.041 0.000 1.978 343 L HA -0.238 4.102 4.340 -0.000 0.000 0.218 343 L C 2.193 179.173 176.870 0.184 0.000 1.075 343 L CA 1.790 56.731 54.840 0.170 0.000 0.767 343 L CB -1.317 40.863 42.059 0.202 0.000 0.890 343 L HN 0.381 nan 8.230 nan 0.000 0.434 344 W N 0.424 121.711 121.300 -0.023 0.000 2.338 344 W HA -0.241 4.419 4.660 -0.000 0.000 0.304 344 W C 2.524 178.795 176.519 -0.413 0.000 1.212 344 W CA 2.420 59.623 57.345 -0.236 0.000 1.264 344 W CB -0.574 28.810 29.460 -0.127 0.000 1.142 344 W HN 0.111 nan 8.180 nan 0.000 0.512 345 T N 0.010 114.248 114.554 -0.526 0.000 2.665 345 T HA -0.313 4.036 4.350 -0.000 0.000 0.268 345 T C 1.779 176.145 174.700 -0.556 0.000 1.035 345 T CA 3.059 64.715 62.100 -0.741 0.000 1.151 345 T CB -1.136 67.348 68.868 -0.640 0.000 0.862 345 T HN 0.444 nan 8.240 nan 0.000 0.438 346 T N 0.629 114.990 114.554 -0.322 0.000 2.833 346 T HA -0.097 4.253 4.350 -0.000 0.000 0.269 346 T C 1.994 176.471 174.700 -0.371 0.000 1.054 346 T CA 1.150 63.117 62.100 -0.223 0.000 1.135 346 T CB -0.232 68.598 68.868 -0.063 0.000 0.869 346 T HN 0.167 nan 8.240 nan 0.000 0.466 347 R N 1.292 121.489 120.500 -0.506 0.000 2.073 347 R HA 0.059 4.399 4.340 -0.000 0.000 0.234 347 R C 2.295 178.240 176.300 -0.592 0.000 1.134 347 R CA 1.552 57.272 56.100 -0.632 0.000 0.952 347 R CB -1.275 28.314 30.300 -1.185 0.000 0.850 347 R HN 0.374 nan 8.270 nan 0.000 0.433 348 V N 0.874 120.320 119.914 -0.781 0.000 2.343 348 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 348 V C 2.366 178.225 176.094 -0.392 0.000 1.051 348 V CA 1.890 63.797 62.300 -0.656 0.000 1.036 348 V CB -0.482 30.710 31.823 -1.050 0.000 0.654 348 V HN 0.281 nan 8.190 nan 0.000 0.451 349 L N 0.258 121.192 121.223 -0.482 0.000 2.046 349 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 349 L C 2.597 179.152 176.870 -0.526 0.000 1.077 349 L CA 1.839 56.340 54.840 -0.565 0.000 0.747 349 L CB -0.804 40.755 42.059 -0.835 0.000 0.896 349 L HN 0.442 nan 8.230 nan 0.000 0.432 350 N N 0.115 118.634 118.700 -0.302 0.000 2.036 350 N HA -0.309 4.431 4.740 -0.000 0.000 0.195 350 N C 2.077 177.504 175.510 -0.138 0.000 1.037 350 N CA 2.099 55.089 53.050 -0.100 0.000 0.855 350 N CB -0.239 38.186 38.487 -0.104 0.000 1.033 350 N HN 0.379 nan 8.380 nan 0.000 0.423 351 Y N 1.647 121.774 120.300 -0.287 0.000 2.224 351 Y HA -0.135 4.415 4.550 -0.000 0.000 0.289 351 Y C 2.409 178.147 175.900 -0.271 0.000 1.146 351 Y CA 2.144 60.062 58.100 -0.305 0.000 1.182 351 Y CB -0.750 37.529 38.460 -0.301 0.000 0.983 351 Y HN 0.015 nan 8.280 nan 0.000 0.524 352 T N 1.034 115.387 114.554 -0.335 0.000 2.708 352 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 352 T C 1.763 176.238 174.700 -0.374 0.000 1.037 352 T CA 1.915 63.789 62.100 -0.378 0.000 1.146 352 T CB -0.186 68.582 68.868 -0.166 0.000 0.865 352 T HN 0.273 nan 8.240 nan 0.000 0.435 353 M N 1.553 120.975 119.600 -0.297 0.000 2.288 353 M HA 0.059 4.539 4.480 -0.000 0.000 0.266 353 M C 2.580 178.774 176.300 -0.176 0.000 1.072 353 M CA 1.316 56.502 55.300 -0.189 0.000 1.132 353 M CB -1.730 30.841 32.600 -0.048 0.000 1.386 353 M HN 0.455 nan 8.290 nan 0.000 0.432 354 T N -3.469 110.962 114.554 -0.205 0.000 3.037 354 T HA 0.213 4.563 4.350 -0.000 0.000 0.251 354 T C 1.613 176.124 174.700 -0.314 0.000 1.079 354 T CA 0.279 62.258 62.100 -0.201 0.000 1.067 354 T CB 0.012 68.806 68.868 -0.122 0.000 0.948 354 T HN 0.094 nan 8.240 nan 0.000 0.496 355 V N 0.765 120.397 119.914 -0.469 0.000 2.950 355 V HA 0.458 4.578 4.120 -0.000 0.000 0.231 355 V C 3.002 178.781 176.094 -0.525 0.000 1.205 355 V CA 0.575 62.561 62.300 -0.524 0.000 1.239 355 V CB -0.683 30.651 31.823 -0.814 0.000 1.050 355 V HN 0.464 nan 8.190 nan 0.000 0.498 356 A N 0.086 122.441 122.820 -0.776 0.000 1.933 356 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 356 A C 2.006 179.410 177.584 -0.301 0.000 1.175 356 A CA 1.711 53.420 52.037 -0.547 0.000 0.628 356 A CB -0.570 18.096 19.000 -0.557 0.000 0.814 356 A HN 0.384 nan 8.150 nan 0.000 0.444 357 L N -0.265 120.777 121.223 -0.303 0.000 2.450 357 L HA -0.041 4.299 4.340 -0.000 0.000 0.224 357 L C 2.033 178.777 176.870 -0.211 0.000 1.149 357 L CA 1.382 56.090 54.840 -0.220 0.000 0.816 357 L CB -0.704 41.231 42.059 -0.207 0.000 0.932 357 L HN 0.368 nan 8.230 nan 0.000 0.449 358 R N -0.866 119.472 120.500 -0.269 0.000 2.317 358 R HA 0.444 4.784 4.340 -0.000 0.000 0.208 358 R C 0.455 176.666 176.300 -0.148 0.000 0.914 358 R CA 0.478 56.398 56.100 -0.301 0.000 1.060 358 R CB 0.221 30.122 30.300 -0.666 0.000 1.015 358 R HN 0.315 nan 8.270 nan 0.000 0.498 359 G N -0.492 108.268 108.800 -0.067 0.000 2.465 359 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.681 359 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.681 359 G C -0.414 174.539 174.900 0.088 0.000 1.340 359 G CA -0.682 44.439 45.100 0.036 0.000 0.884 359 G HN 0.094 nan 8.290 nan 0.000 0.650 360 Y N 0.645 120.963 120.300 0.029 0.000 2.053 360 Y HA -0.185 4.365 4.550 -0.000 0.000 0.277 360 Y C 2.521 178.467 175.900 0.077 0.000 1.159 360 Y CA 2.849 60.978 58.100 0.048 0.000 1.125 360 Y CB 0.064 38.552 38.460 0.045 0.000 0.969 360 Y HN 0.598 nan 8.280 nan 0.000 0.492 361 D N -0.866 119.602 120.400 0.114 0.000 2.104 361 D HA -0.254 4.386 4.640 -0.000 0.000 0.194 361 D C 1.977 178.278 176.300 0.001 0.000 0.994 361 D CA 1.831 55.861 54.000 0.050 0.000 0.830 361 D CB -0.956 39.929 40.800 0.143 0.000 0.959 361 D HN 0.520 nan 8.370 nan 0.000 0.452 362 Y N 1.425 121.696 120.300 -0.048 0.000 2.165 362 Y HA -0.244 4.306 4.550 -0.000 0.000 0.286 362 Y C 2.254 178.113 175.900 -0.068 0.000 1.155 362 Y CA 1.975 60.047 58.100 -0.047 0.000 1.164 362 Y CB -0.147 38.278 38.460 -0.059 0.000 0.978 362 Y HN -0.039 nan 8.280 nan 0.000 0.513 363 A N -0.239 122.605 122.820 0.039 0.000 1.968 363 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 363 A C 2.103 179.611 177.584 -0.127 0.000 1.169 363 A CA 1.425 53.446 52.037 -0.027 0.000 0.638 363 A CB -0.456 18.487 19.000 -0.094 0.000 0.812 363 A HN 0.587 nan 8.150 nan 0.000 0.446 364 Q N -0.365 119.284 119.800 -0.251 0.000 2.020 364 Q HA -0.253 4.087 4.340 -0.000 0.000 0.198 364 Q C 2.377 178.343 176.000 -0.055 0.000 0.974 364 Q CA 1.817 57.493 55.803 -0.212 0.000 0.829 364 Q CB -0.389 28.240 28.738 -0.182 0.000 0.894 364 Q HN 0.977 nan 8.270 nan 0.000 0.433 365 Q N 0.058 119.817 119.800 -0.067 0.000 2.103 365 Q HA -0.291 4.049 4.340 -0.000 0.000 0.213 365 Q C 1.911 177.831 176.000 -0.133 0.000 1.008 365 Q CA 2.331 58.081 55.803 -0.089 0.000 0.879 365 Q CB -1.061 27.556 28.738 -0.202 0.000 0.946 365 Q HN 0.445 nan 8.270 nan 0.000 0.413 366 Y N 0.775 120.876 120.300 -0.333 0.000 2.145 366 Y HA -0.125 4.424 4.550 -0.000 0.000 0.286 366 Y C 1.908 177.639 175.900 -0.282 0.000 1.145 366 Y CA 1.783 59.700 58.100 -0.304 0.000 1.148 366 Y CB -0.132 38.176 38.460 -0.252 0.000 0.981 366 Y HN 0.147 nan 8.280 nan 0.000 0.507 367 L N -1.175 119.853 121.223 -0.325 0.000 2.046 367 L HA -0.266 4.074 4.340 -0.000 0.000 0.208 367 L C 2.247 178.789 176.870 -0.547 0.000 1.077 367 L CA 1.519 55.932 54.840 -0.713 0.000 0.747 367 L CB -0.863 40.244 42.059 -1.586 0.000 0.896 367 L HN 0.257 nan 8.230 nan 0.000 0.432 368 Y N -0.127 120.015 120.300 -0.262 0.000 2.181 368 Y HA -0.271 4.279 4.550 -0.000 0.000 0.288 368 Y C 2.848 178.628 175.900 -0.200 0.000 1.146 368 Y CA 1.608 59.649 58.100 -0.098 0.000 1.164 368 Y CB -0.455 37.977 38.460 -0.046 0.000 0.982 368 Y HN 0.084 nan 8.280 nan 0.000 0.515 369 R N 0.021 120.445 120.500 -0.127 0.000 2.148 369 R HA -0.144 4.196 4.340 -0.000 0.000 0.227 369 R C 2.292 178.383 176.300 -0.347 0.000 1.103 369 R CA 1.059 57.035 56.100 -0.207 0.000 0.983 369 R CB -0.276 29.889 30.300 -0.226 0.000 0.874 369 R HN 0.378 nan 8.270 nan 0.000 0.451 370 M N 0.274 119.557 119.600 -0.530 0.000 2.059 370 M HA -0.188 4.292 4.480 -0.000 0.000 0.259 370 M C 1.741 177.701 176.300 -0.567 0.000 1.072 370 M CA 1.764 56.654 55.300 -0.683 0.000 1.117 370 M CB -0.092 32.067 32.600 -0.735 0.000 1.320 370 M HN 0.264 nan 8.290 nan 0.000 0.408 371 L N -0.329 120.726 121.223 -0.279 0.000 2.042 371 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 371 L C 2.651 179.452 176.870 -0.115 0.000 1.076 371 L CA 1.443 56.214 54.840 -0.116 0.000 0.749 371 L CB -1.607 40.411 42.059 -0.068 0.000 0.893 371 L HN 0.529 nan 8.230 nan 0.000 0.432 372 G N -0.261 108.453 108.800 -0.142 0.000 2.440 372 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 372 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 372 G C 1.784 176.679 174.900 -0.009 0.000 1.154 372 G CA 0.552 45.610 45.100 -0.071 0.000 0.767 372 G HN 0.286 nan 8.290 nan 0.000 0.552 373 R N -0.870 119.578 120.500 -0.086 0.000 2.066 373 R HA 0.000 4.340 4.340 -0.000 0.000 0.232 373 R C 2.376 178.762 176.300 0.142 0.000 1.131 373 R CA 1.210 57.304 56.100 -0.010 0.000 0.955 373 R CB -0.501 29.727 30.300 -0.120 0.000 0.851 373 R HN 0.551 nan 8.270 nan 0.000 0.432 374 Y N 0.277 120.589 120.300 0.020 0.000 2.165 374 Y HA -0.253 4.297 4.550 -0.000 0.000 0.286 374 Y C 2.684 178.594 175.900 0.017 0.000 1.155 374 Y CA 0.743 58.851 58.100 0.013 0.000 1.164 374 Y CB -0.069 38.374 38.460 -0.029 0.000 0.978 374 Y HN 0.077 nan 8.280 nan 0.000 0.513 375 R N -0.716 119.889 120.500 0.176 0.000 2.073 375 R HA -0.224 4.116 4.340 -0.000 0.000 0.234 375 R C 2.162 178.522 176.300 0.101 0.000 1.134 375 R CA 1.910 58.070 56.100 0.101 0.000 0.952 375 R CB -0.750 29.596 30.300 0.077 0.000 0.850 375 R HN 0.391 nan 8.270 nan 0.000 0.433 376 Y N 1.698 122.016 120.300 0.031 0.000 2.128 376 Y HA -0.332 4.217 4.550 -0.000 0.000 0.284 376 Y C 2.778 178.705 175.900 0.046 0.000 1.154 376 Y CA 2.029 60.148 58.100 0.032 0.000 1.149 376 Y CB -0.086 38.395 38.460 0.034 0.000 0.976 376 Y HN 0.136 nan 8.280 nan 0.000 0.505 377 Q N 0.049 119.935 119.800 0.144 0.000 2.061 377 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 377 Q C 2.338 178.333 176.000 -0.009 0.000 0.984 377 Q CA 1.703 57.550 55.803 0.074 0.000 0.846 377 Q CB -0.395 28.447 28.738 0.173 0.000 0.902 377 Q HN 0.579 nan 8.270 nan 0.000 0.421 378 A N 0.907 123.736 122.820 0.015 0.000 1.877 378 A HA -0.108 4.211 4.320 -0.000 0.000 0.216 378 A C 2.320 179.880 177.584 -0.040 0.000 1.186 378 A CA 1.788 53.818 52.037 -0.011 0.000 0.620 378 A CB -1.027 17.970 19.000 -0.006 0.000 0.822 378 A HN 0.581 nan 8.150 nan 0.000 0.443 379 A N -0.426 122.348 122.820 -0.076 0.000 2.019 379 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 379 A C 2.115 179.651 177.584 -0.081 0.000 1.164 379 A CA 1.392 53.402 52.037 -0.045 0.000 0.644 379 A CB -0.556 18.366 19.000 -0.130 0.000 0.805 379 A HN 0.490 nan 8.150 nan 0.000 0.449 380 L N -0.261 120.848 121.223 -0.190 0.000 2.131 380 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 380 L C 2.866 179.687 176.870 -0.082 0.000 1.092 380 L CA 1.794 56.528 54.840 -0.177 0.000 0.759 380 L CB -0.398 41.529 42.059 -0.221 0.000 0.903 380 L HN 0.719 nan 8.230 nan 0.000 0.435 381 E N 0.392 120.555 120.200 -0.061 0.000 2.083 381 E HA 0.065 4.415 4.350 -0.000 0.000 0.193 381 E C 0.746 177.330 176.600 -0.027 0.000 0.950 381 E CA 1.183 57.556 56.400 -0.045 0.000 0.849 381 E CB -0.120 29.546 29.700 -0.056 0.000 0.827 381 E HN 0.400 nan 8.360 nan 0.000 0.465 382 N N 0.000 118.688 118.700 -0.019 0.000 1.763 382 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 382 N CA 0.000 nan 53.050 nan 0.000 0.885 382 N CB 0.000 nan 38.487 nan 0.000 1.341 382 N HN 0.000 nan 8.380 nan 0.000 0.667