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 3oit_1_B DATA FIRST_RESID 20 DATA SEQUENCE SQRADGLAAV LAIGTANPPN CVTQEEIPDF YFRVTNSDHL TALKDKFKRI DATA SEQUENCE CQEMGVQRRY LHHTEEMLSA HPEFVDRDAP SLDARLDIAA DAVPELAAEA DATA SEQUENCE AKKAIAEWGR PAADITHLVV TTNSGAHVPG VDFRLVPLLG LRPSVRRTML DATA SEQUENCE HLNGCFAGCA ALRLAKDLAE NSRGARVLVV AAELTLMYFT GPDEGCFRTL DATA SEQUENCE LVQGLFGDGA AAVIVGADAD DVERPLFEIV SAAQTIIPES DHALNMRFTE DATA SEQUENCE RRLDGVLGRQ VPGLIGDNVE RCLLDMFGPL LGGDGGGGWN DLFWAVHPGS DATA SEQUENCE STIMDQVDAA LGLEPGKLAA SRRVLSDYGN MSGATVIFAL DELRRQRXXX DATA SEQUENCE XXXXEWPELG VMMAFGPGMT VDAMLLHAT 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 20 S HA 0.000 nan 4.470 nan 0.000 0.327 20 S C 0.000 174.610 174.600 0.017 0.000 1.055 20 S CA 0.000 58.211 58.200 0.018 0.000 1.107 20 S CB 0.000 63.208 63.200 0.014 0.000 0.593 21 Q N 1.966 121.778 119.800 0.020 0.000 2.341 21 Q HA 0.614 4.954 4.340 -0.001 0.000 0.268 21 Q C -0.467 175.545 176.000 0.021 0.000 1.013 21 Q CA -0.180 55.635 55.803 0.019 0.000 0.798 21 Q CB 1.180 29.930 28.738 0.020 0.000 1.253 21 Q HN 0.547 nan 8.270 nan 0.000 0.457 22 R N 1.310 121.819 120.500 0.016 0.000 2.549 22 R HA 0.801 5.141 4.340 -0.001 0.000 0.267 22 R C -0.363 175.945 176.300 0.012 0.000 1.045 22 R CA -0.578 55.530 56.100 0.013 0.000 1.115 22 R CB 1.023 31.328 30.300 0.008 0.000 1.121 22 R HN 0.697 nan 8.270 nan 0.000 0.543 23 A N 0.564 123.389 122.820 0.008 0.000 2.313 23 A HA 0.084 4.404 4.320 -0.001 0.000 0.261 23 A C 0.098 177.686 177.584 0.007 0.000 1.090 23 A CA -0.327 51.715 52.037 0.009 0.000 0.807 23 A CB 0.307 19.309 19.000 0.004 0.000 1.055 23 A HN 0.777 nan 8.150 nan 0.000 0.492 24 D N 0.458 120.864 120.400 0.009 0.000 2.197 24 D HA 0.129 4.769 4.640 -0.001 0.000 0.212 24 D C 1.193 177.496 176.300 0.005 0.000 0.963 24 D CA 1.634 55.638 54.000 0.007 0.000 0.864 24 D CB -0.037 40.768 40.800 0.009 0.000 1.009 24 D HN 0.635 nan 8.370 nan 0.000 0.479 25 G N -0.138 108.666 108.800 0.007 0.000 2.938 25 G HA2 0.552 4.511 3.960 -0.001 0.000 0.258 25 G HA3 0.552 4.511 3.960 -0.001 0.000 0.258 25 G C -0.411 174.493 174.900 0.006 0.000 1.356 25 G CA -0.630 44.474 45.100 0.006 0.000 1.052 25 G HN 0.028 nan 8.290 nan 0.000 0.550 26 L N 0.774 122.002 121.223 0.009 0.000 2.456 26 L HA 0.378 4.718 4.340 -0.001 0.000 0.272 26 L C 1.260 178.138 176.870 0.014 0.000 1.189 26 L CA -0.516 54.331 54.840 0.011 0.000 0.846 26 L CB 0.854 42.924 42.059 0.018 0.000 1.111 26 L HN 0.586 nan 8.230 nan 0.000 0.475 27 A N 2.939 125.763 122.820 0.006 0.000 2.498 27 A HA 0.554 4.874 4.320 -0.001 0.000 0.239 27 A C 0.058 177.655 177.584 0.021 0.000 1.068 27 A CA 0.158 52.196 52.037 0.001 0.000 0.766 27 A CB 0.235 19.225 19.000 -0.017 0.000 1.003 27 A HN 0.805 nan 8.150 nan 0.000 0.497 28 A N 1.894 124.726 122.820 0.019 0.000 2.414 28 A HA 0.609 4.929 4.320 -0.001 0.000 0.306 28 A C -0.486 177.115 177.584 0.029 0.000 1.054 28 A CA -0.531 51.533 52.037 0.044 0.000 0.724 28 A CB 1.211 20.237 19.000 0.043 0.000 1.267 28 A HN 1.093 nan 8.150 nan 0.000 0.418 29 V N 3.302 123.262 119.914 0.077 0.000 2.446 29 V HA 0.072 4.192 4.120 -0.001 0.000 0.276 29 V C 0.843 176.961 176.094 0.039 0.000 1.030 29 V CA 0.504 62.843 62.300 0.065 0.000 1.033 29 V CB 0.338 32.266 31.823 0.175 0.000 0.993 29 V HN 0.800 nan 8.190 nan 0.000 0.477 30 L N 4.232 125.439 121.223 -0.025 0.000 2.638 30 L HA 0.598 4.938 4.340 -0.001 0.000 0.232 30 L C 0.719 177.600 176.870 0.019 0.000 1.099 30 L CA 0.472 55.311 54.840 -0.002 0.000 0.883 30 L CB 0.245 42.294 42.059 -0.017 0.000 1.136 30 L HN 0.739 nan 8.230 nan 0.000 0.492 31 A N 0.463 123.266 122.820 -0.027 0.000 2.599 31 A HA 0.728 5.048 4.320 -0.001 0.000 0.294 31 A C -1.544 176.016 177.584 -0.038 0.000 1.055 31 A CA -0.378 51.655 52.037 -0.006 0.000 0.683 31 A CB 1.198 20.222 19.000 0.040 0.000 1.278 31 A HN 0.017 nan 8.150 nan 0.000 0.412 32 I N 0.809 121.356 120.570 -0.038 0.000 2.582 32 I HA 0.670 4.840 4.170 -0.001 0.000 0.292 32 I C 0.416 176.471 176.117 -0.104 0.000 1.066 32 I CA -0.561 60.691 61.300 -0.080 0.000 1.053 32 I CB 2.643 40.595 38.000 -0.079 0.000 1.241 32 I HN 0.882 nan 8.210 nan 0.000 0.421 33 G N 2.622 111.338 108.800 -0.141 0.000 2.638 33 G HA2 0.737 4.697 3.960 -0.001 0.000 0.302 33 G HA3 0.737 4.697 3.960 -0.001 0.000 0.302 33 G C -0.929 173.824 174.900 -0.246 0.000 1.365 33 G CA -0.478 44.531 45.100 -0.152 0.000 0.987 33 G HN 0.585 nan 8.290 nan 0.000 0.495 34 T N -1.771 112.604 114.554 -0.298 0.000 2.901 34 T HA 0.902 5.252 4.350 -0.001 0.000 0.293 34 T C -0.375 174.208 174.700 -0.195 0.000 1.084 34 T CA -0.391 61.446 62.100 -0.438 0.000 1.008 34 T CB 2.171 70.395 68.868 -1.072 0.000 1.170 34 T HN 1.927 nan 8.240 nan 0.000 0.509 35 A N 1.482 124.263 122.820 -0.065 0.000 2.594 35 A HA 0.810 5.130 4.320 -0.001 0.000 0.295 35 A C -1.347 176.291 177.584 0.091 0.000 1.071 35 A CA -1.026 51.017 52.037 0.009 0.000 0.685 35 A CB 1.399 20.401 19.000 0.002 0.000 1.285 35 A HN 0.881 nan 8.150 nan 0.000 0.405 36 N N 0.546 119.257 118.700 0.018 0.000 2.284 36 N HA 0.560 5.300 4.740 -0.001 0.000 0.289 36 N C -3.087 172.450 175.510 0.045 0.000 1.179 36 N CA -1.213 51.845 53.050 0.013 0.000 0.774 36 N CB 2.087 40.455 38.487 -0.197 0.000 1.548 36 N HN 0.327 nan 8.380 nan 0.000 0.473 37 P HA 0.093 nan 4.420 nan 0.000 0.268 37 P C -1.687 175.721 177.300 0.180 0.000 1.208 37 P CA -0.643 62.568 63.100 0.184 0.000 0.777 37 P CB 0.274 32.119 31.700 0.242 0.000 0.875 38 P HA -0.093 nan 4.420 nan 0.000 0.220 38 P C 0.296 177.695 177.300 0.164 0.000 1.152 38 P CA 1.112 64.293 63.100 0.135 0.000 0.812 38 P CB -0.138 31.610 31.700 0.079 0.000 0.792 39 N N 0.685 119.447 118.700 0.105 0.000 2.400 39 N HA -0.018 4.721 4.740 -0.001 0.000 0.278 39 N C -0.901 174.615 175.510 0.011 0.000 1.247 39 N CA -0.101 52.963 53.050 0.023 0.000 0.970 39 N CB -0.898 37.555 38.487 -0.057 0.000 1.312 39 N HN -0.007 nan 8.380 nan 0.000 0.488 40 C N 4.371 123.649 119.300 -0.038 0.000 2.435 40 C HA 0.641 5.101 4.460 -0.001 0.000 0.375 40 C C -0.375 174.446 174.990 -0.282 0.000 1.281 40 C CA -0.434 58.408 59.018 -0.293 0.000 1.963 40 C CB -0.744 26.835 27.740 -0.268 0.000 2.490 40 C HN 0.485 nan 8.230 nan 0.000 0.557 41 V N 6.448 126.160 119.914 -0.336 0.000 2.525 41 V HA 0.429 4.549 4.120 -0.001 0.000 0.299 41 V C 0.486 176.450 176.094 -0.217 0.000 1.034 41 V CA -0.397 61.752 62.300 -0.252 0.000 0.863 41 V CB 1.735 33.409 31.823 -0.248 0.000 0.999 41 V HN 0.982 nan 8.190 nan 0.000 0.423 42 T N 1.392 115.846 114.554 -0.166 0.000 2.899 42 T HA 0.176 4.526 4.350 -0.001 0.000 0.295 42 T C 0.897 175.542 174.700 -0.092 0.000 1.033 42 T CA -0.360 61.661 62.100 -0.132 0.000 1.084 42 T CB 1.325 70.131 68.868 -0.102 0.000 0.979 42 T HN 0.533 nan 8.240 nan 0.000 0.532 43 Q N 0.484 120.228 119.800 -0.093 0.000 2.226 43 Q HA -0.108 4.232 4.340 -0.001 0.000 0.204 43 Q C 2.021 177.975 176.000 -0.077 0.000 0.975 43 Q CA 1.179 56.928 55.803 -0.091 0.000 0.866 43 Q CB -0.178 28.495 28.738 -0.109 0.000 0.915 43 Q HN 0.796 nan 8.270 nan 0.000 0.440 44 E N 0.878 121.043 120.200 -0.059 0.000 2.150 44 E HA -0.160 4.190 4.350 -0.001 0.000 0.193 44 E C 1.536 178.136 176.600 -0.001 0.000 0.985 44 E CA 0.938 57.315 56.400 -0.039 0.000 0.814 44 E CB 0.295 29.973 29.700 -0.036 0.000 0.752 44 E HN 0.620 nan 8.360 nan 0.000 0.466 45 E N -0.337 119.870 120.200 0.012 0.000 2.452 45 E HA -0.017 4.333 4.350 -0.001 0.000 0.197 45 E C 1.964 178.664 176.600 0.165 0.000 1.022 45 E CA -0.109 56.331 56.400 0.067 0.000 0.890 45 E CB 0.048 29.764 29.700 0.027 0.000 0.918 45 E HN 0.115 nan 8.360 nan 0.000 0.496 46 I N 2.093 122.754 120.570 0.151 0.000 2.179 46 I HA -0.126 4.044 4.170 -0.001 0.000 0.242 46 I C -0.460 175.982 176.117 0.542 0.000 1.088 46 I CA 0.910 62.397 61.300 0.312 0.000 1.357 46 I CB -1.852 36.259 38.000 0.185 0.000 1.051 46 I HN 0.078 nan 8.210 nan 0.000 0.409 47 P HA -0.142 nan 4.420 nan 0.000 0.214 47 P C 1.222 178.825 177.300 0.504 0.000 1.163 47 P CA 1.533 64.972 63.100 0.565 0.000 0.889 47 P CB 0.007 31.822 31.700 0.191 0.000 0.790 48 D N -1.536 119.055 120.400 0.318 0.000 2.084 48 D HA -0.168 4.472 4.640 -0.001 0.000 0.194 48 D C 1.776 178.279 176.300 0.338 0.000 0.990 48 D CA 1.036 55.196 54.000 0.267 0.000 0.826 48 D CB -1.049 39.862 40.800 0.185 0.000 0.971 48 D HN 0.098 nan 8.370 nan 0.000 0.453 49 F N 0.566 120.665 119.950 0.248 0.000 2.095 49 F HA -0.288 4.239 4.527 -0.001 0.000 0.298 49 F C 2.353 178.340 175.800 0.312 0.000 1.104 49 F CA 1.287 59.431 58.000 0.240 0.000 1.232 49 F CB -0.553 38.576 39.000 0.215 0.000 0.987 49 F HN -0.046 nan 8.300 nan 0.000 0.475 50 Y N -0.342 120.127 120.300 0.282 0.000 2.200 50 Y HA -0.197 4.353 4.550 -0.001 0.000 0.290 50 Y C 1.910 177.769 175.900 -0.067 0.000 1.137 50 Y CA 1.740 59.902 58.100 0.103 0.000 1.163 50 Y CB -0.942 37.639 38.460 0.201 0.000 0.988 50 Y HN 0.090 nan 8.280 nan 0.000 0.518 51 F N -0.158 119.715 119.950 -0.128 0.000 2.456 51 F HA 0.029 4.556 4.527 -0.000 0.000 0.298 51 F C 2.611 178.296 175.800 -0.193 0.000 1.104 51 F CA 1.260 59.112 58.000 -0.246 0.000 1.435 51 F CB -0.435 38.511 39.000 -0.089 0.000 1.078 51 F HN -0.058 nan 8.300 nan 0.000 0.546 52 R N 0.190 120.697 120.500 0.012 0.000 2.055 52 R HA -0.089 4.250 4.340 -0.001 0.000 0.228 52 R C 2.061 178.282 176.300 -0.133 0.000 1.143 52 R CA 1.522 57.601 56.100 -0.035 0.000 0.945 52 R CB -0.617 29.682 30.300 -0.001 0.000 0.841 52 R HN 0.093 nan 8.270 nan 0.000 0.429 53 V N 0.983 120.749 119.914 -0.247 0.000 2.720 53 V HA -0.179 3.940 4.120 -0.001 0.000 0.256 53 V C 1.881 177.867 176.094 -0.180 0.000 1.082 53 V CA 2.113 64.265 62.300 -0.247 0.000 1.101 53 V CB -0.508 31.062 31.823 -0.423 0.000 0.693 53 V HN 0.672 nan 8.190 nan 0.000 0.479 54 T N -3.116 111.256 114.554 -0.304 0.000 3.206 54 T HA 0.108 4.458 4.350 -0.001 0.000 0.253 54 T C 0.571 175.128 174.700 -0.238 0.000 1.042 54 T CA -0.141 61.765 62.100 -0.324 0.000 0.931 54 T CB -0.487 67.980 68.868 -0.668 0.000 1.029 54 T HN 0.484 nan 8.240 nan 0.000 0.564 55 N N 1.020 119.633 118.700 -0.146 0.000 2.705 55 N HA -0.139 4.600 4.740 -0.001 0.000 0.255 55 N C -0.039 175.471 175.510 -0.001 0.000 1.008 55 N CA 0.902 53.927 53.050 -0.041 0.000 0.742 55 N CB -1.710 36.772 38.487 -0.009 0.000 0.906 55 N HN 0.514 nan 8.380 nan 0.000 0.541 56 S N -1.024 114.618 115.700 -0.097 0.000 2.846 56 S HA 0.107 4.577 4.470 -0.001 0.000 0.249 56 S C 0.835 175.396 174.600 -0.064 0.000 1.028 56 S CA -0.578 57.492 58.200 -0.216 0.000 1.043 56 S CB 0.794 63.714 63.200 -0.467 0.000 0.990 56 S HN 0.190 nan 8.310 nan 0.000 0.564 57 D N 2.197 122.642 120.400 0.075 0.000 2.309 57 D HA -0.117 4.523 4.640 -0.001 0.000 0.212 57 D C 1.755 178.100 176.300 0.076 0.000 0.968 57 D CA 0.948 55.015 54.000 0.111 0.000 0.882 57 D CB -0.109 40.757 40.800 0.109 0.000 0.918 57 D HN 0.681 nan 8.370 nan 0.000 0.503 58 H N -0.833 118.279 119.070 0.070 0.000 2.547 58 H HA -0.004 4.551 4.556 -0.001 0.000 0.272 58 H C 0.597 175.963 175.328 0.062 0.000 0.989 58 H CA -0.005 56.072 56.048 0.049 0.000 1.214 58 H CB -0.101 29.679 29.762 0.030 0.000 1.389 58 H HN -0.004 nan 8.280 nan 0.000 0.577 59 L N 3.268 124.355 121.223 -0.227 0.000 2.466 59 L HA 0.139 4.479 4.340 -0.001 0.000 0.248 59 L C 1.247 178.102 176.870 -0.024 0.000 1.240 59 L CA 0.139 54.933 54.840 -0.076 0.000 1.180 59 L CB 0.130 42.166 42.059 -0.038 0.000 1.413 59 L HN 0.149 nan 8.230 nan 0.000 0.406 60 T N 0.306 114.844 114.554 -0.026 0.000 2.720 60 T HA -0.192 4.157 4.350 -0.001 0.000 0.268 60 T C 1.870 176.527 174.700 -0.072 0.000 1.037 60 T CA 1.755 63.821 62.100 -0.058 0.000 1.144 60 T CB 0.240 69.094 68.868 -0.022 0.000 0.864 60 T HN 0.597 nan 8.240 nan 0.000 0.444 61 A N 0.740 123.545 122.820 -0.026 0.000 1.929 61 A HA 0.116 4.436 4.320 -0.001 0.000 0.216 61 A C 2.191 179.764 177.584 -0.019 0.000 1.176 61 A CA 0.859 52.883 52.037 -0.021 0.000 0.628 61 A CB -0.642 18.365 19.000 0.012 0.000 0.816 61 A HN 0.391 nan 8.150 nan 0.000 0.444 62 L N 0.085 121.334 121.223 0.043 0.000 2.017 62 L HA -0.100 4.239 4.340 -0.001 0.000 0.208 62 L C 2.261 179.170 176.870 0.064 0.000 1.073 62 L CA 2.442 57.368 54.840 0.142 0.000 0.745 62 L CB -0.500 41.734 42.059 0.293 0.000 0.894 62 L HN 0.414 nan 8.230 nan 0.000 0.432 63 K N -0.704 119.529 120.400 -0.279 0.000 2.103 63 K HA -0.261 4.058 4.320 -0.001 0.000 0.207 63 K C 1.857 178.301 176.600 -0.261 0.000 1.048 63 K CA 1.808 57.634 56.287 -0.769 0.000 0.930 63 K CB -0.205 31.654 32.500 -1.069 0.000 0.716 63 K HN 0.527 nan 8.250 nan 0.000 0.444 64 D N 0.406 120.706 120.400 -0.166 0.000 2.097 64 D HA -0.174 4.465 4.640 -0.001 0.000 0.195 64 D C 1.655 177.901 176.300 -0.090 0.000 0.989 64 D CA 1.579 55.512 54.000 -0.111 0.000 0.827 64 D CB 0.167 40.911 40.800 -0.093 0.000 0.966 64 D HN 0.027 nan 8.370 nan 0.000 0.456 65 K N -0.826 119.515 120.400 -0.098 0.000 2.074 65 K HA -0.122 4.197 4.320 -0.001 0.000 0.209 65 K C 1.870 178.465 176.600 -0.009 0.000 1.048 65 K CA 1.098 57.301 56.287 -0.140 0.000 0.926 65 K CB -0.519 31.773 32.500 -0.346 0.000 0.713 65 K HN 0.187 nan 8.250 nan 0.000 0.444 66 F N 1.746 121.653 119.950 -0.071 0.000 2.113 66 F HA -0.153 4.373 4.527 -0.001 0.000 0.297 66 F C 1.586 177.373 175.800 -0.022 0.000 1.103 66 F CA 1.516 59.528 58.000 0.020 0.000 1.248 66 F CB -0.148 38.986 39.000 0.224 0.000 0.999 66 F HN -0.103 nan 8.300 nan 0.000 0.475 67 K N 0.008 120.332 120.400 -0.126 0.000 2.034 67 K HA -0.248 4.072 4.320 -0.001 0.000 0.214 67 K C 2.183 178.667 176.600 -0.193 0.000 1.051 67 K CA 2.158 58.325 56.287 -0.199 0.000 0.931 67 K CB -0.343 32.084 32.500 -0.122 0.000 0.715 67 K HN 0.242 nan 8.250 nan 0.000 0.446 68 R N 0.630 121.047 120.500 -0.139 0.000 2.083 68 R HA -0.115 4.225 4.340 -0.001 0.000 0.237 68 R C 2.396 178.618 176.300 -0.131 0.000 1.137 68 R CA 1.575 57.603 56.100 -0.120 0.000 0.951 68 R CB -0.465 29.773 30.300 -0.104 0.000 0.851 68 R HN 0.218 nan 8.270 nan 0.000 0.434 69 I N -0.015 120.470 120.570 -0.143 0.000 2.226 69 I HA -0.350 3.820 4.170 -0.001 0.000 0.245 69 I C 2.277 178.280 176.117 -0.190 0.000 1.100 69 I CA 1.045 62.266 61.300 -0.131 0.000 1.374 69 I CB -0.273 37.687 38.000 -0.066 0.000 1.057 69 I HN 0.295 nan 8.210 nan 0.000 0.413 70 C N 0.055 119.162 119.300 -0.323 0.000 2.435 70 C HA -0.122 4.337 4.460 -0.001 0.000 0.279 70 C C 2.730 177.605 174.990 -0.191 0.000 1.321 70 C CA 0.713 59.539 59.018 -0.320 0.000 1.752 70 C CB -1.017 26.430 27.740 -0.488 0.000 1.959 70 C HN 0.528 nan 8.230 nan 0.000 0.500 71 Q N -0.097 119.605 119.800 -0.162 0.000 2.302 71 Q HA -0.021 4.319 4.340 -0.001 0.000 0.202 71 Q C 1.520 177.468 176.000 -0.087 0.000 0.936 71 Q CA 0.875 56.610 55.803 -0.113 0.000 0.886 71 Q CB 0.095 28.772 28.738 -0.102 0.000 0.986 71 Q HN 0.696 nan 8.270 nan 0.000 0.487 72 E N -0.687 119.461 120.200 -0.086 0.000 2.526 72 E HA 0.163 4.513 4.350 -0.001 0.000 0.208 72 E C 0.820 177.388 176.600 -0.055 0.000 0.997 72 E CA -0.034 56.327 56.400 -0.065 0.000 0.961 72 E CB 0.609 30.271 29.700 -0.063 0.000 1.030 72 E HN 0.234 nan 8.360 nan 0.000 0.483 73 M N -0.491 119.074 119.600 -0.057 0.000 2.356 73 M HA 0.246 4.726 4.480 -0.001 0.000 0.262 73 M C 0.807 177.087 176.300 -0.034 0.000 1.097 73 M CA 0.290 55.565 55.300 -0.041 0.000 0.991 73 M CB 1.225 33.804 32.600 -0.035 0.000 1.450 73 M HN 0.260 nan 8.290 nan 0.000 0.495 74 G N 0.792 109.568 108.800 -0.040 0.000 2.179 74 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.220 74 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.220 74 G C -0.109 174.771 174.900 -0.033 0.000 0.990 74 G CA -0.438 44.642 45.100 -0.033 0.000 0.646 74 G HN 0.290 nan 8.290 nan 0.000 0.517 75 V N 1.332 121.221 119.914 -0.040 0.000 2.472 75 V HA 0.548 4.667 4.120 -0.001 0.000 0.290 75 V C 0.869 176.926 176.094 -0.063 0.000 1.037 75 V CA -0.371 61.904 62.300 -0.042 0.000 0.908 75 V CB 1.695 33.500 31.823 -0.029 0.000 0.985 75 V HN 0.274 nan 8.190 nan 0.000 0.454 76 Q N 3.114 122.870 119.800 -0.073 0.000 2.477 76 Q HA 0.250 4.589 4.340 -0.001 0.000 0.252 76 Q C 0.545 176.475 176.000 -0.116 0.000 0.869 76 Q CA 0.310 56.060 55.803 -0.088 0.000 0.969 76 Q CB 1.246 29.937 28.738 -0.079 0.000 1.144 76 Q HN 0.858 nan 8.270 nan 0.000 0.577 77 R N -0.614 119.799 120.500 -0.144 0.000 2.764 77 R HA 0.743 5.082 4.340 -0.001 0.000 0.270 77 R C -1.097 175.068 176.300 -0.225 0.000 1.014 77 R CA -0.734 55.239 56.100 -0.213 0.000 0.904 77 R CB 1.862 31.990 30.300 -0.286 0.000 1.236 77 R HN -0.181 nan 8.270 nan 0.000 0.466 78 R N 0.408 120.722 120.500 -0.310 0.000 2.739 78 R HA 0.364 4.703 4.340 -0.001 0.000 0.271 78 R C -1.679 174.370 176.300 -0.419 0.000 1.010 78 R CA -0.874 55.101 56.100 -0.209 0.000 0.897 78 R CB 2.094 32.377 30.300 -0.028 0.000 1.236 78 R HN 0.525 nan 8.270 nan 0.000 0.466 79 Y N 1.535 121.863 120.300 0.046 0.000 2.335 79 Y HA 0.512 5.062 4.550 -0.001 0.000 0.338 79 Y C -0.257 175.667 175.900 0.040 0.000 0.977 79 Y CA -0.701 57.425 58.100 0.044 0.000 1.114 79 Y CB 1.370 39.891 38.460 0.101 0.000 1.182 79 Y HN 0.144 nan 8.280 nan 0.000 0.463 80 L N 2.845 124.114 121.223 0.077 0.000 2.385 80 L HA 0.364 4.703 4.340 -0.001 0.000 0.273 80 L C 0.670 177.538 176.870 -0.005 0.000 0.990 80 L CA -0.886 53.935 54.840 -0.031 0.000 0.821 80 L CB 1.880 43.743 42.059 -0.328 0.000 1.279 80 L HN 0.735 nan 8.230 nan 0.000 0.412 81 H N 1.614 120.705 119.070 0.035 0.000 2.395 81 H HA -0.044 4.512 4.556 -0.000 0.000 0.299 81 H C 0.435 175.812 175.328 0.081 0.000 1.070 81 H CA 1.105 57.203 56.048 0.084 0.000 1.356 81 H CB 0.078 29.922 29.762 0.136 0.000 1.401 81 H HN 0.678 nan 8.280 nan 0.000 0.524 82 H N -0.912 118.204 119.070 0.077 0.000 2.707 82 H HA 0.418 4.974 4.556 -0.000 0.000 0.359 82 H C 0.249 175.579 175.328 0.004 0.000 1.113 82 H CA -0.011 56.045 56.048 0.013 0.000 1.422 82 H CB 0.845 30.617 29.762 0.017 0.000 1.443 82 H HN 0.275 nan 8.280 nan 0.000 0.591 83 T N -1.279 113.315 114.554 0.067 0.000 2.864 83 T HA 0.162 4.512 4.350 -0.001 0.000 0.289 83 T C 0.951 175.763 174.700 0.186 0.000 1.082 83 T CA -0.717 61.427 62.100 0.074 0.000 1.009 83 T CB 1.827 70.700 68.868 0.009 0.000 1.234 83 T HN 0.825 nan 8.240 nan 0.000 0.526 84 E N 0.266 120.630 120.200 0.272 0.000 2.085 84 E HA -0.239 4.111 4.350 -0.001 0.000 0.194 84 E C 1.815 178.471 176.600 0.094 0.000 0.994 84 E CA 1.836 58.370 56.400 0.224 0.000 0.801 84 E CB -0.081 29.785 29.700 0.276 0.000 0.743 84 E HN 0.787 nan 8.360 nan 0.000 0.453 85 E N 0.032 120.275 120.200 0.071 0.000 2.038 85 E HA -0.251 4.098 4.350 -0.001 0.000 0.195 85 E C 2.139 178.752 176.600 0.022 0.000 1.000 85 E CA 1.540 57.959 56.400 0.031 0.000 0.803 85 E CB -0.158 29.555 29.700 0.021 0.000 0.750 85 E HN 0.359 nan 8.360 nan 0.000 0.448 86 M N 0.288 119.918 119.600 0.050 0.000 2.117 86 M HA -0.180 4.299 4.480 -0.001 0.000 0.262 86 M C 2.032 178.378 176.300 0.076 0.000 1.065 86 M CA 1.362 56.718 55.300 0.094 0.000 1.114 86 M CB 0.015 32.689 32.600 0.122 0.000 1.361 86 M HN 0.179 nan 8.290 nan 0.000 0.408 87 L N -0.673 120.571 121.223 0.034 0.000 2.083 87 L HA -0.186 4.154 4.340 -0.001 0.000 0.209 87 L C 2.425 179.261 176.870 -0.057 0.000 1.083 87 L CA 1.108 55.933 54.840 -0.025 0.000 0.752 87 L CB -0.605 41.422 42.059 -0.052 0.000 0.899 87 L HN 0.306 nan 8.230 nan 0.000 0.433 88 S N 0.079 115.752 115.700 -0.045 0.000 2.368 88 S HA -0.173 4.297 4.470 -0.001 0.000 0.225 88 S C 2.129 176.650 174.600 -0.131 0.000 1.030 88 S CA 1.251 59.410 58.200 -0.068 0.000 0.999 88 S CB -0.307 62.866 63.200 -0.044 0.000 0.844 88 S HN 0.509 nan 8.310 nan 0.000 0.459 89 A N 0.562 123.276 122.820 -0.176 0.000 2.119 89 A HA -0.005 4.315 4.320 -0.001 0.000 0.217 89 A C 0.479 177.670 177.584 -0.656 0.000 1.153 89 A CA 0.897 52.723 52.037 -0.352 0.000 0.692 89 A CB -0.282 18.513 19.000 -0.341 0.000 0.799 89 A HN 0.592 nan 8.150 nan 0.000 0.458 90 H N -1.458 117.402 119.070 -0.351 0.000 2.336 90 H HA 0.275 4.831 4.556 -0.000 0.000 0.230 90 H C -2.180 172.892 175.328 -0.427 0.000 1.426 90 H CA -1.507 54.182 56.048 -0.597 0.000 1.359 90 H CB 0.728 29.623 29.762 -1.444 0.000 1.555 90 H HN 0.207 nan 8.280 nan 0.000 0.512 91 P HA -0.154 nan 4.420 nan 0.000 0.220 91 P C 0.900 178.223 177.300 0.039 0.000 1.148 91 P CA 0.988 64.064 63.100 -0.039 0.000 0.803 91 P CB 0.467 32.142 31.700 -0.042 0.000 0.782 92 E N -1.112 119.116 120.200 0.046 0.000 2.204 92 E HA -0.163 4.187 4.350 -0.001 0.000 0.195 92 E C 1.530 178.308 176.600 0.296 0.000 0.990 92 E CA 0.848 57.331 56.400 0.139 0.000 0.821 92 E CB -1.274 28.510 29.700 0.141 0.000 0.750 92 E HN 0.193 nan 8.360 nan 0.000 0.477 93 F N 0.443 120.451 119.950 0.097 0.000 2.161 93 F HA -0.149 4.377 4.527 -0.001 0.000 0.300 93 F C 2.160 178.060 175.800 0.166 0.000 1.089 93 F CA 0.473 58.550 58.000 0.128 0.000 1.282 93 F CB -0.932 38.152 39.000 0.140 0.000 1.010 93 F HN -0.045 nan 8.300 nan 0.000 0.485 94 V N -0.566 119.558 119.914 0.349 0.000 2.591 94 V HA -0.141 3.979 4.120 -0.001 0.000 0.249 94 V C 0.536 176.675 176.094 0.075 0.000 1.053 94 V CA 0.999 63.425 62.300 0.209 0.000 1.068 94 V CB -0.473 31.442 31.823 0.153 0.000 0.689 94 V HN 0.093 nan 8.190 nan 0.000 0.462 95 D N 0.240 120.689 120.400 0.082 0.000 2.358 95 D HA 0.048 4.688 4.640 -0.001 0.000 0.258 95 D C 1.344 177.659 176.300 0.026 0.000 1.223 95 D CA 0.136 54.158 54.000 0.037 0.000 0.886 95 D CB 0.739 41.564 40.800 0.041 0.000 1.120 95 D HN 0.165 nan 8.370 nan 0.000 0.482 96 R N 2.415 122.909 120.500 -0.010 0.000 2.237 96 R HA -0.071 4.269 4.340 -0.001 0.000 0.219 96 R C 0.343 176.636 176.300 -0.013 0.000 1.080 96 R CA 0.845 56.930 56.100 -0.025 0.000 0.995 96 R CB 0.350 30.621 30.300 -0.048 0.000 0.875 96 R HN 0.452 nan 8.270 nan 0.000 0.462 97 D N -0.317 120.081 120.400 -0.002 0.000 2.407 97 D HA 0.109 4.749 4.640 -0.001 0.000 0.208 97 D C -0.049 176.258 176.300 0.013 0.000 1.083 97 D CA 0.152 54.153 54.000 0.001 0.000 0.844 97 D CB 0.587 41.385 40.800 -0.002 0.000 0.967 97 D HN 0.101 nan 8.370 nan 0.000 0.506 98 A N 2.415 125.251 122.820 0.027 0.000 2.328 98 A HA 0.467 4.786 4.320 -0.001 0.000 0.284 98 A C -2.338 175.274 177.584 0.047 0.000 1.160 98 A CA -1.166 50.895 52.037 0.042 0.000 0.818 98 A CB 0.387 19.423 19.000 0.060 0.000 1.087 98 A HN -0.151 nan 8.150 nan 0.000 0.504 99 P HA 0.116 nan 4.420 nan 0.000 0.271 99 P C 0.231 177.574 177.300 0.072 0.000 1.226 99 P CA 0.275 63.400 63.100 0.042 0.000 0.765 99 P CB 1.082 32.802 31.700 0.034 0.000 0.835 100 S N 1.238 116.978 115.700 0.067 0.000 2.976 100 S HA 0.033 4.503 4.470 -0.001 0.000 0.252 100 S C 1.085 175.716 174.600 0.051 0.000 0.940 100 S CA -0.348 57.930 58.200 0.130 0.000 1.283 100 S CB -0.755 62.603 63.200 0.264 0.000 1.194 100 S HN 0.184 nan 8.310 nan 0.000 0.662 101 L N 2.830 124.045 121.223 -0.012 0.000 2.079 101 L HA -0.001 4.339 4.340 -0.001 0.000 0.210 101 L C 1.607 178.467 176.870 -0.015 0.000 1.081 101 L CA 2.232 57.031 54.840 -0.068 0.000 0.752 101 L CB -0.662 41.359 42.059 -0.064 0.000 0.896 101 L HN 0.209 nan 8.230 nan 0.000 0.433 102 D N -0.055 120.369 120.400 0.040 0.000 2.104 102 D HA -0.191 4.449 4.640 -0.001 0.000 0.194 102 D C 2.217 178.575 176.300 0.097 0.000 0.994 102 D CA 1.653 55.694 54.000 0.068 0.000 0.830 102 D CB -0.408 40.436 40.800 0.073 0.000 0.959 102 D HN 0.488 nan 8.370 nan 0.000 0.452 103 A N 0.973 123.877 122.820 0.141 0.000 1.933 103 A HA -0.190 4.130 4.320 -0.001 0.000 0.218 103 A C 2.180 179.854 177.584 0.149 0.000 1.175 103 A CA 1.356 53.503 52.037 0.184 0.000 0.628 103 A CB -0.410 18.770 19.000 0.299 0.000 0.814 103 A HN 0.143 nan 8.150 nan 0.000 0.444 104 R N -0.576 119.962 120.500 0.064 0.000 2.066 104 R HA 0.047 4.387 4.340 -0.001 0.000 0.232 104 R C 2.034 178.308 176.300 -0.042 0.000 1.131 104 R CA 1.331 57.361 56.100 -0.117 0.000 0.955 104 R CB -0.513 29.559 30.300 -0.381 0.000 0.851 104 R HN 0.458 nan 8.270 nan 0.000 0.432 105 L N 0.874 122.099 121.223 0.004 0.000 2.083 105 L HA -0.188 4.151 4.340 -0.001 0.000 0.209 105 L C 1.666 178.641 176.870 0.175 0.000 1.083 105 L CA 1.059 55.973 54.840 0.123 0.000 0.752 105 L CB -0.413 41.733 42.059 0.144 0.000 0.899 105 L HN 0.168 nan 8.230 nan 0.000 0.433 106 D N 0.277 120.754 120.400 0.129 0.000 2.117 106 D HA -0.170 4.469 4.640 -0.001 0.000 0.197 106 D C 2.236 178.571 176.300 0.057 0.000 0.987 106 D CA 1.311 55.369 54.000 0.097 0.000 0.829 106 D CB -0.076 40.788 40.800 0.106 0.000 0.961 106 D HN 0.303 nan 8.370 nan 0.000 0.460 107 I N 1.012 121.620 120.570 0.064 0.000 2.179 107 I HA -0.242 3.928 4.170 -0.001 0.000 0.242 107 I C 2.437 178.563 176.117 0.015 0.000 1.088 107 I CA 1.116 62.457 61.300 0.068 0.000 1.357 107 I CB -0.202 37.859 38.000 0.102 0.000 1.051 107 I HN -0.076 nan 8.210 nan 0.000 0.409 108 A N 0.630 123.450 122.820 0.000 0.000 1.969 108 A HA -0.100 4.220 4.320 -0.001 0.000 0.218 108 A C 2.524 180.080 177.584 -0.046 0.000 1.169 108 A CA 1.542 53.562 52.037 -0.028 0.000 0.635 108 A CB -0.745 18.258 19.000 0.005 0.000 0.810 108 A HN 0.431 nan 8.150 nan 0.000 0.445 109 A N -0.213 122.549 122.820 -0.096 0.000 1.978 109 A HA -0.210 4.110 4.320 -0.001 0.000 0.220 109 A C 1.790 179.299 177.584 -0.126 0.000 1.170 109 A CA 1.963 53.845 52.037 -0.260 0.000 0.636 109 A CB -0.343 18.392 19.000 -0.441 0.000 0.810 109 A HN 0.522 nan 8.150 nan 0.000 0.448 110 D N -1.011 119.348 120.400 -0.068 0.000 2.369 110 D HA 0.186 4.826 4.640 -0.001 0.000 0.231 110 D C 2.303 178.578 176.300 -0.042 0.000 0.967 110 D CA 1.132 55.113 54.000 -0.032 0.000 0.905 110 D CB -0.315 40.488 40.800 0.006 0.000 1.044 110 D HN 0.366 nan 8.370 nan 0.000 0.487 111 A N 1.102 123.869 122.820 -0.088 0.000 1.898 111 A HA -0.086 4.233 4.320 -0.001 0.000 0.216 111 A C 2.472 179.964 177.584 -0.155 0.000 1.181 111 A CA 1.012 52.929 52.037 -0.200 0.000 0.620 111 A CB -0.683 17.964 19.000 -0.588 0.000 0.819 111 A HN 0.097 nan 8.150 nan 0.000 0.442 112 V N 0.537 120.387 119.914 -0.106 0.000 2.295 112 V HA -0.147 3.973 4.120 -0.001 0.000 0.246 112 V C -0.216 175.861 176.094 -0.029 0.000 1.049 112 V CA 2.431 64.698 62.300 -0.055 0.000 1.024 112 V CB -1.532 30.282 31.823 -0.015 0.000 0.648 112 V HN 0.380 nan 8.190 nan 0.000 0.447 113 P HA -0.108 nan 4.420 nan 0.000 0.218 113 P C 1.591 178.884 177.300 -0.012 0.000 1.149 113 P CA 1.125 64.218 63.100 -0.011 0.000 0.817 113 P CB -0.019 31.678 31.700 -0.005 0.000 0.785 114 E N -0.566 119.626 120.200 -0.014 0.000 2.047 114 E HA -0.152 4.198 4.350 -0.001 0.000 0.191 114 E C 1.963 178.565 176.600 0.003 0.000 0.987 114 E CA 0.927 57.327 56.400 -0.001 0.000 0.799 114 E CB -0.986 28.721 29.700 0.011 0.000 0.752 114 E HN 0.198 nan 8.360 nan 0.000 0.449 115 L N 1.197 122.418 121.223 -0.003 0.000 2.017 115 L HA -0.085 4.255 4.340 -0.001 0.000 0.208 115 L C 2.319 179.194 176.870 0.008 0.000 1.073 115 L CA 2.011 56.858 54.840 0.011 0.000 0.745 115 L CB -0.724 41.342 42.059 0.012 0.000 0.894 115 L HN 0.040 nan 8.230 nan 0.000 0.432 116 A N -0.414 122.406 122.820 0.000 0.000 1.917 116 A HA -0.202 4.117 4.320 -0.001 0.000 0.219 116 A C 2.456 180.033 177.584 -0.011 0.000 1.182 116 A CA 2.087 54.121 52.037 -0.004 0.000 0.633 116 A CB -1.248 17.748 19.000 -0.007 0.000 0.819 116 A HN 0.597 nan 8.150 nan 0.000 0.448 117 A N -0.604 122.210 122.820 -0.009 0.000 1.902 117 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 117 A C 2.050 179.630 177.584 -0.007 0.000 1.181 117 A CA 1.816 53.847 52.037 -0.009 0.000 0.623 117 A CB -0.577 18.418 19.000 -0.008 0.000 0.818 117 A HN 0.674 nan 8.150 nan 0.000 0.443 118 E N -0.184 120.014 120.200 -0.003 0.000 2.058 118 E HA -0.182 4.167 4.350 -0.001 0.000 0.194 118 E C 2.205 178.795 176.600 -0.017 0.000 0.997 118 E CA 1.178 57.576 56.400 -0.004 0.000 0.801 118 E CB -0.256 29.446 29.700 0.004 0.000 0.746 118 E HN 0.541 nan 8.360 nan 0.000 0.450 119 A N 1.170 123.975 122.820 -0.025 0.000 1.877 119 A HA -0.115 4.205 4.320 -0.001 0.000 0.216 119 A C 2.396 179.950 177.584 -0.049 0.000 1.186 119 A CA 1.935 53.939 52.037 -0.054 0.000 0.620 119 A CB -0.799 18.163 19.000 -0.063 0.000 0.822 119 A HN 0.417 nan 8.150 nan 0.000 0.443 120 A N -0.256 122.544 122.820 -0.033 0.000 1.902 120 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 120 A C 2.120 179.703 177.584 -0.002 0.000 1.181 120 A CA 1.896 53.918 52.037 -0.025 0.000 0.623 120 A CB -0.455 18.533 19.000 -0.020 0.000 0.818 120 A HN 0.545 nan 8.150 nan 0.000 0.443 121 K N -0.276 120.126 120.400 0.002 0.000 2.097 121 K HA -0.132 4.188 4.320 -0.001 0.000 0.206 121 K C 2.084 178.694 176.600 0.017 0.000 1.049 121 K CA 1.615 57.911 56.287 0.016 0.000 0.933 121 K CB -0.155 32.350 32.500 0.009 0.000 0.717 121 K HN 0.430 nan 8.250 nan 0.000 0.442 122 K N 0.332 120.730 120.400 -0.003 0.000 2.057 122 K HA -0.106 4.213 4.320 -0.001 0.000 0.207 122 K C 2.192 178.794 176.600 0.003 0.000 1.049 122 K CA 1.200 57.482 56.287 -0.009 0.000 0.931 122 K CB -0.108 32.370 32.500 -0.036 0.000 0.714 122 K HN 0.120 nan 8.250 nan 0.000 0.440 123 A N 1.437 124.254 122.820 -0.005 0.000 1.877 123 A HA -0.150 4.170 4.320 -0.001 0.000 0.216 123 A C 2.116 179.759 177.584 0.098 0.000 1.186 123 A CA 1.306 53.347 52.037 0.007 0.000 0.620 123 A CB -0.571 18.403 19.000 -0.044 0.000 0.822 123 A HN 0.169 nan 8.150 nan 0.000 0.443 124 I N -0.201 120.446 120.570 0.128 0.000 2.226 124 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 124 I C 2.961 179.200 176.117 0.204 0.000 1.100 124 I CA 1.068 62.530 61.300 0.270 0.000 1.374 124 I CB -0.302 37.831 38.000 0.221 0.000 1.057 124 I HN 0.357 nan 8.210 nan 0.000 0.413 125 A N 0.047 122.928 122.820 0.100 0.000 1.902 125 A HA -0.264 4.056 4.320 -0.001 0.000 0.217 125 A C 2.352 179.970 177.584 0.056 0.000 1.181 125 A CA 1.848 53.916 52.037 0.052 0.000 0.623 125 A CB -0.634 18.380 19.000 0.024 0.000 0.818 125 A HN 0.478 nan 8.150 nan 0.000 0.443 126 E N -1.440 118.805 120.200 0.074 0.000 2.077 126 E HA -0.247 4.103 4.350 -0.001 0.000 0.193 126 E C 1.818 178.498 176.600 0.135 0.000 0.989 126 E CA 1.499 57.942 56.400 0.072 0.000 0.800 126 E CB -0.288 29.442 29.700 0.051 0.000 0.746 126 E HN 0.786 nan 8.360 nan 0.000 0.452 127 W N 0.624 121.906 121.300 -0.030 0.000 2.335 127 W HA -0.141 4.519 4.660 -0.001 0.000 0.311 127 W C 1.510 178.016 176.519 -0.023 0.000 1.213 127 W CA 2.771 60.101 57.345 -0.025 0.000 1.274 127 W CB -0.543 28.905 29.460 -0.020 0.000 1.148 127 W HN 0.311 nan 8.180 nan 0.000 0.498 128 G N 0.063 108.799 108.800 -0.107 0.000 2.176 128 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.232 128 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.232 128 G C 0.529 175.155 174.900 -0.455 0.000 0.986 128 G CA 0.064 45.020 45.100 -0.240 0.000 0.643 128 G HN 0.410 nan 8.290 nan 0.000 0.522 129 R N 0.552 120.508 120.500 -0.907 0.000 2.720 129 R HA 0.581 4.920 4.340 -0.001 0.000 0.272 129 R C -2.519 173.417 176.300 -0.607 0.000 0.991 129 R CA -1.949 53.587 56.100 -0.939 0.000 1.010 129 R CB 1.102 30.499 30.300 -1.504 0.000 1.141 129 R HN 0.051 nan 8.270 nan 0.000 0.494 130 P HA 0.022 nan 4.420 nan 0.000 0.272 130 P C -0.170 177.137 177.300 0.012 0.000 1.223 130 P CA 0.084 63.110 63.100 -0.124 0.000 0.784 130 P CB 0.733 32.379 31.700 -0.090 0.000 0.923 131 A N 2.661 125.533 122.820 0.087 0.000 1.978 131 A HA -0.159 4.161 4.320 -0.001 0.000 0.220 131 A C 2.088 179.750 177.584 0.130 0.000 1.170 131 A CA 1.984 54.115 52.037 0.157 0.000 0.636 131 A CB -1.640 17.413 19.000 0.089 0.000 0.810 131 A HN 0.568 nan 8.150 nan 0.000 0.448 132 A N -0.172 122.689 122.820 0.068 0.000 2.076 132 A HA -0.177 4.143 4.320 -0.001 0.000 0.220 132 A C 1.487 179.120 177.584 0.081 0.000 1.160 132 A CA 1.874 53.942 52.037 0.050 0.000 0.653 132 A CB -0.474 18.536 19.000 0.017 0.000 0.801 132 A HN 0.451 nan 8.150 nan 0.000 0.455 133 D N -0.594 119.886 120.400 0.134 0.000 2.347 133 D HA 0.128 4.768 4.640 -0.001 0.000 0.213 133 D C 0.402 176.888 176.300 0.310 0.000 0.985 133 D CA 0.144 54.265 54.000 0.201 0.000 0.879 133 D CB -0.133 40.767 40.800 0.165 0.000 0.919 133 D HN 0.482 nan 8.370 nan 0.000 0.526 134 I N 1.210 121.948 120.570 0.280 0.000 2.533 134 I HA -0.036 4.134 4.170 -0.001 0.000 0.284 134 I C 1.703 177.874 176.117 0.089 0.000 1.109 134 I CA 0.262 61.651 61.300 0.149 0.000 1.412 134 I CB 1.260 39.304 38.000 0.073 0.000 1.396 134 I HN -0.052 nan 8.210 nan 0.000 0.543 135 T N 0.950 115.562 114.554 0.097 0.000 3.023 135 T HA 0.178 4.527 4.350 -0.001 0.000 0.249 135 T C 0.375 175.008 174.700 -0.112 0.000 1.050 135 T CA 0.190 62.317 62.100 0.044 0.000 1.088 135 T CB 0.032 68.992 68.868 0.153 0.000 0.946 135 T HN 0.546 nan 8.240 nan 0.000 0.480 136 H N -0.192 118.866 119.070 -0.020 0.000 2.851 136 H HA 0.770 5.325 4.556 -0.001 0.000 0.372 136 H C -1.645 173.658 175.328 -0.041 0.000 1.158 136 H CA -1.030 55.002 56.048 -0.025 0.000 1.159 136 H CB 2.022 31.767 29.762 -0.029 0.000 1.757 136 H HN 0.153 nan 8.280 nan 0.000 0.546 137 L N 2.270 123.539 121.223 0.076 0.000 2.409 137 L HA 0.628 4.968 4.340 -0.001 0.000 0.272 137 L C -1.657 175.226 176.870 0.021 0.000 0.980 137 L CA -0.584 54.270 54.840 0.022 0.000 0.826 137 L CB 1.643 43.700 42.059 -0.002 0.000 1.268 137 L HN 0.490 nan 8.230 nan 0.000 0.407 138 V N 5.808 125.721 119.914 -0.000 0.000 2.407 138 V HA 0.634 4.754 4.120 -0.001 0.000 0.291 138 V C -0.572 175.506 176.094 -0.026 0.000 1.018 138 V CA -0.601 61.694 62.300 -0.009 0.000 0.842 138 V CB 1.790 33.606 31.823 -0.011 0.000 0.996 138 V HN 0.531 nan 8.190 nan 0.000 0.426 139 V N 3.550 123.442 119.914 -0.036 0.000 2.604 139 V HA 0.705 4.824 4.120 -0.001 0.000 0.305 139 V C -0.034 176.020 176.094 -0.067 0.000 1.043 139 V CA -0.348 61.924 62.300 -0.047 0.000 0.888 139 V CB 2.173 33.968 31.823 -0.048 0.000 0.995 139 V HN 0.870 nan 8.190 nan 0.000 0.429 140 T N 2.558 117.080 114.554 -0.054 0.000 2.921 140 T HA 0.697 5.047 4.350 -0.001 0.000 0.297 140 T C -0.919 173.761 174.700 -0.034 0.000 1.013 140 T CA -0.217 61.848 62.100 -0.058 0.000 0.990 140 T CB 1.562 70.400 68.868 -0.051 0.000 1.023 140 T HN 0.961 nan 8.240 nan 0.000 0.447 141 T N 3.243 117.787 114.554 -0.016 0.000 3.012 141 T HA 0.358 4.708 4.350 -0.001 0.000 0.330 141 T C 0.214 174.970 174.700 0.093 0.000 1.321 141 T CA -0.673 61.448 62.100 0.035 0.000 1.067 141 T CB 1.157 70.056 68.868 0.052 0.000 1.235 141 T HN 0.522 nan 8.240 nan 0.000 0.479 142 N N 1.442 120.197 118.700 0.091 0.000 2.457 142 N HA 0.050 4.790 4.740 -0.001 0.000 0.180 142 N C 0.626 176.233 175.510 0.161 0.000 1.050 142 N CA 0.398 53.537 53.050 0.149 0.000 0.906 142 N CB 0.248 38.805 38.487 0.116 0.000 0.968 142 N HN 0.458 nan 8.380 nan 0.000 0.445 143 S N 0.339 116.100 115.700 0.102 0.000 2.945 143 S HA 0.555 5.025 4.470 -0.001 0.000 0.227 143 S C 0.553 175.241 174.600 0.147 0.000 1.353 143 S CA -0.630 57.597 58.200 0.045 0.000 1.236 143 S CB 0.379 63.575 63.200 -0.006 0.000 1.069 143 S HN 0.389 nan 8.310 nan 0.000 0.509 144 G N -0.026 108.946 108.800 0.287 0.000 2.519 144 G HA2 0.583 4.543 3.960 -0.001 0.000 0.292 144 G HA3 0.583 4.543 3.960 -0.001 0.000 0.292 144 G C -1.396 173.669 174.900 0.275 0.000 1.507 144 G CA -0.184 45.151 45.100 0.392 0.000 0.806 144 G HN 0.481 nan 8.290 nan 0.000 0.523 145 A N 1.077 123.886 122.820 -0.018 0.000 3.411 145 A HA 0.663 4.983 4.320 -0.001 0.000 0.238 145 A C -0.823 176.343 177.584 -0.696 0.000 1.140 145 A CA -0.310 51.380 52.037 -0.579 0.000 0.980 145 A CB -0.211 18.607 19.000 -0.303 0.000 1.371 145 A HN 0.912 nan 8.150 nan 0.000 0.700 146 H N -1.147 117.834 119.070 -0.148 0.000 2.806 146 H HA 0.680 5.236 4.556 -0.001 0.000 0.367 146 H C -0.816 174.557 175.328 0.076 0.000 1.136 146 H CA -0.775 55.276 56.048 0.005 0.000 1.178 146 H CB 2.360 32.163 29.762 0.068 0.000 1.718 146 H HN 0.201 nan 8.280 nan 0.000 0.540 147 V N 3.212 123.197 119.914 0.118 0.000 2.482 147 V HA 0.338 4.457 4.120 -0.001 0.000 0.295 147 V C -1.907 174.174 176.094 -0.021 0.000 1.026 147 V CA -1.497 60.839 62.300 0.060 0.000 0.856 147 V CB 1.189 33.024 31.823 0.020 0.000 1.001 147 V HN 0.760 nan 8.190 nan 0.000 0.424 148 P HA 0.406 nan 4.420 nan 0.000 0.269 148 P C 0.226 177.574 177.300 0.081 0.000 1.209 148 P CA 0.237 63.256 63.100 -0.135 0.000 0.776 148 P CB 1.174 32.482 31.700 -0.654 0.000 0.876 149 G N -0.034 108.865 108.800 0.166 0.000 2.828 149 G HA2 0.321 4.281 3.960 -0.001 0.000 0.244 149 G HA3 0.321 4.281 3.960 -0.001 0.000 0.244 149 G C 0.907 175.913 174.900 0.177 0.000 1.365 149 G CA -0.579 44.652 45.100 0.219 0.000 1.041 149 G HN 0.248 nan 8.290 nan 0.000 0.560 150 V N 1.630 121.615 119.914 0.118 0.000 2.392 150 V HA -0.178 3.942 4.120 -0.001 0.000 0.249 150 V C 2.791 178.920 176.094 0.059 0.000 1.059 150 V CA 2.555 64.897 62.300 0.070 0.000 1.051 150 V CB -0.666 31.177 31.823 0.033 0.000 0.658 150 V HN 0.867 nan 8.190 nan 0.000 0.455 151 D N 0.001 120.432 120.400 0.051 0.000 2.104 151 D HA -0.300 4.340 4.640 -0.001 0.000 0.194 151 D C 2.136 178.480 176.300 0.073 0.000 0.994 151 D CA 1.725 55.750 54.000 0.041 0.000 0.830 151 D CB -0.620 40.198 40.800 0.030 0.000 0.959 151 D HN 0.466 nan 8.370 nan 0.000 0.452 152 F N 1.938 121.887 119.950 -0.003 0.000 2.146 152 F HA -0.063 4.464 4.527 0.000 0.000 0.298 152 F C 2.378 178.179 175.800 0.001 0.000 1.096 152 F CA 1.044 59.045 58.000 0.003 0.000 1.275 152 F CB 0.021 39.028 39.000 0.013 0.000 1.008 152 F HN -0.256 nan 8.300 nan 0.000 0.480 153 R N 0.821 121.387 120.500 0.110 0.000 2.127 153 R HA -0.109 4.230 4.340 -0.001 0.000 0.238 153 R C 2.265 178.506 176.300 -0.099 0.000 1.134 153 R CA 1.276 57.376 56.100 -0.000 0.000 0.975 153 R CB -1.331 29.015 30.300 0.077 0.000 0.865 153 R HN 0.415 nan 8.270 nan 0.000 0.447 154 L N 0.362 121.540 121.223 -0.075 0.000 2.275 154 L HA -0.111 4.228 4.340 -0.001 0.000 0.215 154 L C 2.318 179.120 176.870 -0.113 0.000 1.119 154 L CA 0.453 55.249 54.840 -0.074 0.000 0.790 154 L CB -0.410 41.623 42.059 -0.043 0.000 0.919 154 L HN -0.085 nan 8.230 nan 0.000 0.443 155 V N 0.811 120.609 119.914 -0.193 0.000 2.233 155 V HA -0.199 3.921 4.120 -0.001 0.000 0.247 155 V C -0.081 175.909 176.094 -0.174 0.000 1.050 155 V CA 2.294 64.471 62.300 -0.206 0.000 1.010 155 V CB -1.752 29.880 31.823 -0.318 0.000 0.637 155 V HN 0.392 nan 8.190 nan 0.000 0.444 156 P HA -0.074 nan 4.420 nan 0.000 0.220 156 P C 1.957 179.208 177.300 -0.082 0.000 1.152 156 P CA 1.262 64.282 63.100 -0.133 0.000 0.812 156 P CB -0.030 31.589 31.700 -0.135 0.000 0.792 157 L N -1.147 120.029 121.223 -0.079 0.000 2.083 157 L HA -0.110 4.230 4.340 -0.001 0.000 0.209 157 L C 2.459 179.309 176.870 -0.033 0.000 1.083 157 L CA 1.342 56.155 54.840 -0.045 0.000 0.752 157 L CB -0.619 41.417 42.059 -0.038 0.000 0.899 157 L HN -0.067 nan 8.230 nan 0.000 0.433 158 L N -1.459 119.741 121.223 -0.038 0.000 2.556 158 L HA 0.254 4.593 4.340 -0.001 0.000 0.226 158 L C 1.273 178.135 176.870 -0.013 0.000 1.089 158 L CA 0.455 55.285 54.840 -0.017 0.000 0.864 158 L CB 0.054 42.106 42.059 -0.011 0.000 1.067 158 L HN 0.390 nan 8.230 nan 0.000 0.477 159 G N 1.421 110.203 108.800 -0.030 0.000 2.182 159 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.248 159 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.248 159 G C 0.138 175.026 174.900 -0.019 0.000 1.042 159 G CA -0.249 44.836 45.100 -0.026 0.000 0.775 159 G HN 0.177 nan 8.290 nan 0.000 0.501 160 L N -0.243 120.962 121.223 -0.030 0.000 2.467 160 L HA 0.311 4.650 4.340 -0.001 0.000 0.270 160 L C 1.599 178.451 176.870 -0.030 0.000 1.205 160 L CA -0.504 54.323 54.840 -0.021 0.000 0.828 160 L CB 0.302 42.341 42.059 -0.034 0.000 1.101 160 L HN 0.213 nan 8.230 nan 0.000 0.479 161 R N 2.315 122.806 120.500 -0.015 0.000 2.623 161 R HA 0.045 4.384 4.340 -0.001 0.000 0.271 161 R C -1.544 174.738 176.300 -0.029 0.000 1.043 161 R CA -1.318 54.771 56.100 -0.018 0.000 1.083 161 R CB 0.039 30.334 30.300 -0.008 0.000 0.974 161 R HN 0.389 nan 8.270 nan 0.000 0.436 162 P HA -0.152 nan 4.420 nan 0.000 0.219 162 P C 0.823 178.117 177.300 -0.011 0.000 1.146 162 P CA 1.253 64.341 63.100 -0.020 0.000 0.808 162 P CB 0.228 31.926 31.700 -0.004 0.000 0.779 163 S N -1.653 114.037 115.700 -0.017 0.000 2.671 163 S HA 0.068 4.538 4.470 -0.001 0.000 0.220 163 S C 0.658 175.226 174.600 -0.053 0.000 0.951 163 S CA -0.493 57.692 58.200 -0.025 0.000 0.932 163 S CB -1.225 61.961 63.200 -0.023 0.000 0.777 163 S HN -0.037 nan 8.310 nan 0.000 0.508 164 V N 2.677 122.559 119.914 -0.053 0.000 2.694 164 V HA 0.162 4.281 4.120 -0.001 0.000 0.306 164 V C 0.212 176.246 176.094 -0.100 0.000 1.054 164 V CA -0.050 62.202 62.300 -0.080 0.000 1.161 164 V CB 0.020 31.814 31.823 -0.049 0.000 0.916 164 V HN 0.545 nan 8.190 nan 0.000 0.490 165 R N 6.605 126.986 120.500 -0.198 0.000 2.210 165 R HA 0.426 4.765 4.340 -0.001 0.000 0.338 165 R C -0.234 176.032 176.300 -0.056 0.000 1.062 165 R CA -0.188 55.811 56.100 -0.168 0.000 0.902 165 R CB 0.617 30.717 30.300 -0.334 0.000 1.050 165 R HN 0.679 nan 8.270 nan 0.000 0.461 166 R N 1.289 121.783 120.500 -0.009 0.000 2.474 166 R HA 0.376 4.715 4.340 -0.001 0.000 0.295 166 R C -0.485 175.829 176.300 0.024 0.000 0.980 166 R CA -0.437 55.673 56.100 0.017 0.000 0.934 166 R CB 2.048 32.367 30.300 0.031 0.000 1.101 166 R HN 0.372 nan 8.270 nan 0.000 0.469 167 T N 2.728 117.293 114.554 0.019 0.000 2.881 167 T HA 0.304 4.653 4.350 -0.001 0.000 0.291 167 T C -1.125 173.562 174.700 -0.023 0.000 0.990 167 T CA -0.620 61.484 62.100 0.007 0.000 0.976 167 T CB 1.276 70.154 68.868 0.016 0.000 0.970 167 T HN 0.305 nan 8.240 nan 0.000 0.438 168 M N 4.723 124.295 119.600 -0.046 0.000 2.114 168 M HA 0.547 5.027 4.480 -0.001 0.000 0.332 168 M C -1.776 174.426 176.300 -0.163 0.000 1.014 168 M CA -0.796 54.426 55.300 -0.129 0.000 0.956 168 M CB 0.286 32.795 32.600 -0.150 0.000 1.551 168 M HN 0.474 nan 8.290 nan 0.000 0.427 169 L N 6.392 127.515 121.223 -0.166 0.000 2.360 169 L HA 0.380 4.719 4.340 -0.001 0.000 0.265 169 L C -0.240 176.555 176.870 -0.126 0.000 1.066 169 L CA -0.459 54.318 54.840 -0.105 0.000 0.929 169 L CB -0.060 41.969 42.059 -0.051 0.000 1.306 169 L HN 0.574 nan 8.230 nan 0.000 0.434 170 H N 3.964 123.024 119.070 -0.017 0.000 2.764 170 H HA 0.089 4.645 4.556 -0.001 0.000 0.341 170 H C 0.373 175.678 175.328 -0.039 0.000 1.072 170 H CA -0.375 55.659 56.048 -0.023 0.000 1.444 170 H CB 1.402 31.125 29.762 -0.064 0.000 1.458 170 H HN 0.421 nan 8.280 nan 0.000 0.572 171 L N 3.663 124.959 121.223 0.121 0.000 3.755 171 L HA -0.272 4.068 4.340 -0.001 0.000 0.587 171 L C -0.406 176.452 176.870 -0.021 0.000 1.235 171 L CA 0.253 55.137 54.840 0.073 0.000 0.876 171 L CB -0.829 41.280 42.059 0.083 0.000 1.431 171 L HN 0.646 nan 8.230 nan 0.000 0.840 172 N N 1.390 120.022 118.700 -0.113 0.000 2.204 172 N HA 0.451 5.190 4.740 -0.001 0.000 0.219 172 N C 1.071 176.186 175.510 -0.658 0.000 1.151 172 N CA 0.750 53.618 53.050 -0.303 0.000 0.867 172 N CB 0.802 39.137 38.487 -0.254 0.000 1.043 172 N HN 0.917 nan 8.380 nan 0.000 0.516 173 G N 0.679 109.252 108.800 -0.377 0.000 2.601 173 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.252 173 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.252 173 G C 1.072 175.698 174.900 -0.457 0.000 1.294 173 G CA 0.029 44.904 45.100 -0.375 0.000 0.912 173 G HN 0.303 nan 8.290 nan 0.000 0.574 174 C N 0.169 119.229 119.300 -0.402 0.000 2.432 174 C HA 0.118 4.578 4.460 -0.001 0.000 0.280 174 C C 2.478 177.239 174.990 -0.382 0.000 1.353 174 C CA 1.740 60.486 59.018 -0.454 0.000 1.766 174 C CB -1.964 25.444 27.740 -0.554 0.000 1.924 174 C HN 0.634 nan 8.230 nan 0.000 0.509 175 F N 1.132 120.975 119.950 -0.177 0.000 2.811 175 F HA 0.456 4.982 4.527 -0.001 0.000 0.301 175 F C 1.890 177.638 175.800 -0.088 0.000 1.151 175 F CA 0.188 58.107 58.000 -0.134 0.000 1.412 175 F CB -1.068 37.862 39.000 -0.117 0.000 1.113 175 F HN 0.036 nan 8.300 nan 0.000 0.579 176 A N 1.570 124.219 122.820 -0.285 0.000 1.933 176 A HA 0.037 4.356 4.320 -0.001 0.000 0.218 176 A C 2.489 180.050 177.584 -0.038 0.000 1.175 176 A CA 1.664 53.596 52.037 -0.175 0.000 0.628 176 A CB -1.540 17.327 19.000 -0.221 0.000 0.814 176 A HN 0.510 nan 8.150 nan 0.000 0.444 177 G N -0.990 107.793 108.800 -0.029 0.000 2.404 177 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.215 177 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.215 177 G C 1.593 176.504 174.900 0.017 0.000 1.174 177 G CA 1.243 46.343 45.100 0.000 0.000 0.780 177 G HN 0.512 nan 8.290 nan 0.000 0.537 178 C N 1.010 120.332 119.300 0.038 0.000 2.429 178 C HA 0.140 4.600 4.460 -0.001 0.000 0.277 178 C C 3.546 178.566 174.990 0.051 0.000 1.262 178 C CA 0.880 59.924 59.018 0.043 0.000 1.733 178 C CB -0.947 26.822 27.740 0.049 0.000 2.010 178 C HN 0.563 nan 8.230 nan 0.000 0.483 179 A N 0.474 123.353 122.820 0.098 0.000 1.902 179 A HA 0.053 4.372 4.320 -0.001 0.000 0.217 179 A C 2.359 179.971 177.584 0.047 0.000 1.181 179 A CA 2.072 54.169 52.037 0.100 0.000 0.623 179 A CB -0.849 18.280 19.000 0.215 0.000 0.818 179 A HN 0.581 nan 8.150 nan 0.000 0.443 180 A N -0.407 122.429 122.820 0.028 0.000 1.930 180 A HA 0.007 4.326 4.320 -0.001 0.000 0.217 180 A C 2.128 179.707 177.584 -0.009 0.000 1.175 180 A CA 1.434 53.473 52.037 0.003 0.000 0.627 180 A CB -0.535 18.458 19.000 -0.011 0.000 0.815 180 A HN 0.466 nan 8.150 nan 0.000 0.443 181 L N -1.117 120.102 121.223 -0.007 0.000 2.156 181 L HA -0.114 4.225 4.340 -0.001 0.000 0.208 181 L C 2.678 179.541 176.870 -0.012 0.000 1.095 181 L CA 1.434 56.264 54.840 -0.017 0.000 0.770 181 L CB -0.395 41.654 42.059 -0.016 0.000 0.914 181 L HN 0.474 nan 8.230 nan 0.000 0.439 182 R N 0.730 121.230 120.500 0.000 0.000 2.083 182 R HA -0.180 4.159 4.340 -0.001 0.000 0.237 182 R C 2.290 178.583 176.300 -0.011 0.000 1.137 182 R CA 1.510 57.610 56.100 -0.000 0.000 0.951 182 R CB -0.279 30.023 30.300 0.004 0.000 0.851 182 R HN 0.273 nan 8.270 nan 0.000 0.434 183 L N 0.315 121.532 121.223 -0.011 0.000 2.012 183 L HA -0.176 4.163 4.340 -0.001 0.000 0.210 183 L C 2.775 179.618 176.870 -0.044 0.000 1.073 183 L CA 1.450 56.278 54.840 -0.020 0.000 0.748 183 L CB -0.756 41.297 42.059 -0.010 0.000 0.891 183 L HN 0.393 nan 8.230 nan 0.000 0.431 184 A N 0.215 123.006 122.820 -0.049 0.000 1.917 184 A HA -0.295 4.025 4.320 -0.001 0.000 0.219 184 A C 2.400 179.933 177.584 -0.085 0.000 1.182 184 A CA 2.231 54.221 52.037 -0.078 0.000 0.633 184 A CB -0.555 18.404 19.000 -0.070 0.000 0.819 184 A HN 0.399 nan 8.150 nan 0.000 0.448 185 K N -0.569 119.798 120.400 -0.054 0.000 2.009 185 K HA -0.248 4.072 4.320 -0.001 0.000 0.210 185 K C 1.400 177.967 176.600 -0.054 0.000 1.049 185 K CA 1.993 58.254 56.287 -0.043 0.000 0.929 185 K CB -0.299 32.191 32.500 -0.017 0.000 0.714 185 K HN 0.377 nan 8.250 nan 0.000 0.440 186 D N 0.801 121.170 120.400 -0.052 0.000 2.117 186 D HA -0.121 4.519 4.640 -0.001 0.000 0.198 186 D C 2.058 178.305 176.300 -0.088 0.000 0.982 186 D CA 0.945 54.914 54.000 -0.052 0.000 0.828 186 D CB -0.149 40.630 40.800 -0.034 0.000 0.967 186 D HN 0.248 nan 8.370 nan 0.000 0.464 187 L N 0.623 121.762 121.223 -0.139 0.000 2.012 187 L HA -0.168 4.172 4.340 -0.001 0.000 0.210 187 L C 2.528 179.211 176.870 -0.311 0.000 1.073 187 L CA 1.331 56.001 54.840 -0.282 0.000 0.748 187 L CB -0.529 41.272 42.059 -0.430 0.000 0.891 187 L HN -0.008 nan 8.230 nan 0.000 0.431 188 A N -0.201 122.486 122.820 -0.222 0.000 1.930 188 A HA -0.187 4.133 4.320 -0.001 0.000 0.217 188 A C 2.143 179.677 177.584 -0.084 0.000 1.175 188 A CA 1.497 53.444 52.037 -0.151 0.000 0.627 188 A CB -0.365 18.570 19.000 -0.108 0.000 0.815 188 A HN 0.457 nan 8.150 nan 0.000 0.443 189 E N -0.864 119.296 120.200 -0.067 0.000 2.216 189 E HA -0.110 4.240 4.350 -0.001 0.000 0.192 189 E C 1.298 177.882 176.600 -0.027 0.000 0.988 189 E CA 0.817 57.196 56.400 -0.035 0.000 0.834 189 E CB -0.086 29.599 29.700 -0.025 0.000 0.772 189 E HN 0.594 nan 8.360 nan 0.000 0.479 190 N N -0.123 118.555 118.700 -0.037 0.000 2.336 190 N HA 0.011 4.750 4.740 -0.001 0.000 0.189 190 N C -1.010 174.500 175.510 0.000 0.000 1.113 190 N CA 0.105 53.145 53.050 -0.016 0.000 0.858 190 N CB 0.666 39.144 38.487 -0.015 0.000 0.970 190 N HN -0.173 nan 8.380 nan 0.000 0.471 191 S N -0.192 115.507 115.700 -0.001 0.000 2.614 191 S HA 0.292 4.762 4.470 -0.001 0.000 0.288 191 S C -0.680 173.939 174.600 0.032 0.000 1.137 191 S CA -0.815 57.404 58.200 0.032 0.000 0.992 191 S CB 2.243 65.492 63.200 0.081 0.000 1.026 191 S HN 0.215 nan 8.310 nan 0.000 0.486 192 R N 1.386 121.907 120.500 0.034 0.000 2.522 192 R HA 0.380 4.720 4.340 -0.001 0.000 0.284 192 R C 1.276 177.605 176.300 0.049 0.000 1.032 192 R CA 1.583 57.704 56.100 0.035 0.000 1.049 192 R CB -0.220 30.098 30.300 0.029 0.000 0.956 192 R HN 1.079 nan 8.270 nan 0.000 0.422 193 G N 2.121 110.953 108.800 0.053 0.000 2.179 193 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.260 193 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.260 193 G C 0.131 175.087 174.900 0.095 0.000 0.977 193 G CA 0.101 45.245 45.100 0.073 0.000 0.641 193 G HN 0.939 nan 8.290 nan 0.000 0.533 194 A N 0.381 123.249 122.820 0.080 0.000 2.477 194 A HA 0.639 4.959 4.320 -0.001 0.000 0.246 194 A C 0.655 178.277 177.584 0.063 0.000 1.078 194 A CA 0.407 52.505 52.037 0.101 0.000 0.770 194 A CB 0.289 19.310 19.000 0.035 0.000 1.011 194 A HN 0.391 nan 8.150 nan 0.000 0.494 195 R N 2.042 122.595 120.500 0.088 0.000 2.483 195 R HA 0.432 4.771 4.340 -0.001 0.000 0.303 195 R C -1.667 174.593 176.300 -0.067 0.000 0.987 195 R CA -0.521 55.564 56.100 -0.026 0.000 0.881 195 R CB 1.575 31.894 30.300 0.032 0.000 1.177 195 R HN 0.447 nan 8.270 nan 0.000 0.451 196 V N 4.560 124.387 119.914 -0.146 0.000 2.370 196 V HA 0.336 4.456 4.120 -0.001 0.000 0.283 196 V C -0.108 175.883 176.094 -0.172 0.000 1.023 196 V CA -0.951 61.289 62.300 -0.101 0.000 0.857 196 V CB 1.705 33.458 31.823 -0.117 0.000 0.985 196 V HN 0.487 nan 8.190 nan 0.000 0.443 197 L N 7.200 128.346 121.223 -0.128 0.000 2.264 197 L HA 0.623 4.963 4.340 -0.001 0.000 0.289 197 L C -0.386 176.433 176.870 -0.085 0.000 1.044 197 L CA 0.346 55.103 54.840 -0.138 0.000 0.807 197 L CB 1.375 43.366 42.059 -0.113 0.000 1.192 197 L HN 0.442 nan 8.230 nan 0.000 0.425 198 V N 6.089 125.948 119.914 -0.091 0.000 2.417 198 V HA 0.650 4.769 4.120 -0.001 0.000 0.291 198 V C -0.496 175.563 176.094 -0.059 0.000 1.024 198 V CA -0.512 61.750 62.300 -0.064 0.000 0.861 198 V CB 1.740 33.526 31.823 -0.063 0.000 0.985 198 V HN 0.653 nan 8.190 nan 0.000 0.436 199 V N 3.935 123.823 119.914 -0.043 0.000 2.760 199 V HA 0.993 5.113 4.120 -0.001 0.000 0.309 199 V C -0.403 175.678 176.094 -0.022 0.000 1.077 199 V CA -0.216 62.062 62.300 -0.035 0.000 0.910 199 V CB 1.861 33.664 31.823 -0.034 0.000 1.008 199 V HN 1.166 nan 8.190 nan 0.000 0.424 200 A N 4.950 127.766 122.820 -0.008 0.000 2.343 200 A HA 1.060 5.380 4.320 -0.001 0.000 0.316 200 A C -0.138 177.464 177.584 0.031 0.000 1.104 200 A CA -0.076 51.965 52.037 0.006 0.000 0.768 200 A CB 1.619 20.628 19.000 0.014 0.000 1.213 200 A HN 2.407 nan 8.150 nan 0.000 0.456 201 A N 1.533 124.371 122.820 0.029 0.000 2.539 201 A HA 0.879 5.198 4.320 -0.001 0.000 0.296 201 A C -0.959 176.652 177.584 0.045 0.000 1.073 201 A CA -0.443 51.620 52.037 0.044 0.000 0.700 201 A CB 1.740 20.758 19.000 0.030 0.000 1.296 201 A HN 1.119 nan 8.150 nan 0.000 0.405 202 E N 0.708 120.942 120.200 0.058 0.000 2.291 202 E HA 0.619 4.969 4.350 -0.001 0.000 0.276 202 E C -2.202 174.452 176.600 0.090 0.000 0.896 202 E CA -0.268 56.175 56.400 0.071 0.000 0.774 202 E CB 1.320 31.065 29.700 0.076 0.000 1.227 202 E HN 0.548 nan 8.360 nan 0.000 0.413 203 L N 4.504 125.772 121.223 0.074 0.000 2.372 203 L HA 0.400 4.739 4.340 -0.001 0.000 0.274 203 L C 0.993 177.924 176.870 0.103 0.000 0.988 203 L CA -0.524 54.378 54.840 0.103 0.000 0.833 203 L CB 2.009 44.089 42.059 0.036 0.000 1.236 203 L HN 0.890 nan 8.230 nan 0.000 0.410 204 T N -1.129 113.592 114.554 0.279 0.000 3.118 204 T HA -0.067 4.283 4.350 -0.001 0.000 0.260 204 T C 1.573 176.377 174.700 0.173 0.000 1.139 204 T CA 0.412 62.759 62.100 0.412 0.000 1.085 204 T CB -0.286 68.943 68.868 0.602 0.000 0.934 204 T HN 0.564 nan 8.240 nan 0.000 0.518 205 L N -1.511 119.720 121.223 0.013 0.000 2.353 205 L HA 0.148 4.488 4.340 -0.001 0.000 0.220 205 L C 2.203 178.859 176.870 -0.355 0.000 1.133 205 L CA 1.178 55.849 54.840 -0.281 0.000 0.798 205 L CB -1.218 40.749 42.059 -0.155 0.000 0.922 205 L HN 0.020 nan 8.230 nan 0.000 0.445 206 M N -0.515 118.845 119.600 -0.399 0.000 2.213 206 M HA -0.134 4.346 4.480 -0.001 0.000 0.263 206 M C 1.838 177.803 176.300 -0.558 0.000 1.062 206 M CA 1.771 56.720 55.300 -0.586 0.000 1.105 206 M CB -1.132 31.018 32.600 -0.749 0.000 1.385 206 M HN 0.468 nan 8.290 nan 0.000 0.417 207 Y N -2.737 117.493 120.300 -0.117 0.000 2.462 207 Y HA 0.222 4.772 4.550 -0.000 0.000 0.253 207 Y C 0.707 176.538 175.900 -0.115 0.000 1.095 207 Y CA -1.281 56.757 58.100 -0.104 0.000 1.283 207 Y CB -0.489 37.944 38.460 -0.044 0.000 1.138 207 Y HN -0.057 nan 8.280 nan 0.000 0.522 208 F N 2.125 122.005 119.950 -0.117 0.000 2.602 208 F HA 0.280 4.806 4.527 -0.001 0.000 0.385 208 F C 0.531 176.287 175.800 -0.073 0.000 1.063 208 F CA 0.909 58.841 58.000 -0.112 0.000 1.233 208 F CB 0.425 39.272 39.000 -0.256 0.000 1.067 208 F HN -0.069 nan 8.300 nan 0.000 0.564 209 T N 3.560 117.766 114.554 -0.579 0.000 2.749 209 T HA 0.513 4.863 4.350 -0.001 0.000 0.310 209 T C -0.226 174.228 174.700 -0.409 0.000 1.496 209 T CA -0.186 61.724 62.100 -0.317 0.000 1.006 209 T CB 0.608 69.400 68.868 -0.126 0.000 1.457 209 T HN 0.903 nan 8.240 nan 0.000 0.497 210 G N 2.111 110.762 108.800 -0.248 0.000 2.636 210 G HA2 0.550 4.509 3.960 -0.001 0.000 0.246 210 G HA3 0.550 4.509 3.960 -0.001 0.000 0.246 210 G C -2.475 172.273 174.900 -0.252 0.000 1.216 210 G CA -0.799 44.111 45.100 -0.316 0.000 0.854 210 G HN 0.608 nan 8.290 nan 0.000 0.572 211 P HA 0.242 nan 4.420 nan 0.000 0.276 211 P C -1.058 176.155 177.300 -0.144 0.000 1.252 211 P CA -0.438 62.533 63.100 -0.214 0.000 0.802 211 P CB 1.628 33.131 31.700 -0.328 0.000 1.035 212 D N 0.305 120.652 120.400 -0.088 0.000 2.375 212 D HA 0.113 4.753 4.640 -0.001 0.000 0.247 212 D C 0.818 177.081 176.300 -0.062 0.000 1.061 212 D CA -0.354 53.593 54.000 -0.088 0.000 0.834 212 D CB 1.453 42.181 40.800 -0.121 0.000 1.247 212 D HN 0.276 nan 8.370 nan 0.000 0.489 213 E N 1.427 121.604 120.200 -0.038 0.000 2.208 213 E HA -0.019 4.330 4.350 -0.001 0.000 0.193 213 E C 1.571 178.135 176.600 -0.059 0.000 0.988 213 E CA 0.395 56.815 56.400 0.033 0.000 0.828 213 E CB 0.398 30.125 29.700 0.045 0.000 0.763 213 E HN 0.550 nan 8.360 nan 0.000 0.478 214 G N 0.109 108.790 108.800 -0.198 0.000 2.492 214 G HA2 -0.049 3.910 3.960 -0.001 0.000 0.214 214 G HA3 -0.049 3.910 3.960 -0.001 0.000 0.214 214 G C 0.477 174.963 174.900 -0.690 0.000 1.147 214 G CA 0.134 45.057 45.100 -0.294 0.000 0.809 214 G HN 0.184 nan 8.290 nan 0.000 0.533 215 C N -1.178 117.657 119.300 -0.775 0.000 2.797 215 C HA 0.643 5.103 4.460 -0.001 0.000 0.306 215 C C -0.382 174.179 174.990 -0.716 0.000 1.207 215 C CA -0.778 57.709 59.018 -0.884 0.000 1.507 215 C CB 1.214 28.724 27.740 -0.383 0.000 2.028 215 C HN 0.308 nan 8.230 nan 0.000 0.475 216 F N 0.512 120.456 119.950 -0.010 0.000 2.688 216 F HA 0.307 4.834 4.527 -0.000 0.000 0.310 216 F C 2.122 177.901 175.800 -0.035 0.000 1.098 216 F CA -0.348 57.649 58.000 -0.006 0.000 1.228 216 F CB -0.472 38.542 39.000 0.024 0.000 1.042 216 F HN 0.543 nan 8.300 nan 0.000 0.557 217 R N 0.663 121.180 120.500 0.029 0.000 2.103 217 R HA -0.142 4.197 4.340 -0.001 0.000 0.242 217 R C 1.508 177.751 176.300 -0.096 0.000 1.142 217 R CA 2.184 58.265 56.100 -0.032 0.000 0.960 217 R CB -0.636 29.631 30.300 -0.056 0.000 0.858 217 R HN 0.192 nan 8.270 nan 0.000 0.439 218 T N 1.993 116.488 114.554 -0.099 0.000 2.720 218 T HA -0.106 4.244 4.350 -0.001 0.000 0.268 218 T C 1.906 176.496 174.700 -0.183 0.000 1.037 218 T CA 1.406 63.407 62.100 -0.164 0.000 1.144 218 T CB -0.143 68.636 68.868 -0.148 0.000 0.864 218 T HN 0.223 nan 8.240 nan 0.000 0.444 219 L N 0.355 121.551 121.223 -0.046 0.000 2.083 219 L HA -0.058 4.281 4.340 -0.001 0.000 0.209 219 L C 2.488 179.424 176.870 0.110 0.000 1.083 219 L CA 1.066 55.941 54.840 0.058 0.000 0.752 219 L CB -0.749 41.479 42.059 0.282 0.000 0.899 219 L HN 0.264 nan 8.230 nan 0.000 0.433 220 L N -0.802 120.419 121.223 -0.003 0.000 1.994 220 L HA -0.206 4.134 4.340 -0.001 0.000 0.208 220 L C 2.611 179.305 176.870 -0.294 0.000 1.071 220 L CA 1.051 55.838 54.840 -0.087 0.000 0.745 220 L CB -0.600 41.403 42.059 -0.093 0.000 0.892 220 L HN 0.039 nan 8.230 nan 0.000 0.431 221 V N -0.576 119.025 119.914 -0.522 0.000 2.287 221 V HA -0.298 3.822 4.120 -0.001 0.000 0.248 221 V C 2.542 178.344 176.094 -0.487 0.000 1.053 221 V CA 1.613 63.341 62.300 -0.955 0.000 1.027 221 V CB -0.540 30.788 31.823 -0.826 0.000 0.646 221 V HN 0.501 nan 8.190 nan 0.000 0.447 222 Q N -0.040 119.589 119.800 -0.286 0.000 2.291 222 Q HA -0.073 4.266 4.340 -0.001 0.000 0.205 222 Q C 2.241 178.316 176.000 0.125 0.000 0.970 222 Q CA 1.579 57.286 55.803 -0.159 0.000 0.876 222 Q CB -0.547 27.801 28.738 -0.651 0.000 0.935 222 Q HN 0.708 nan 8.270 nan 0.000 0.455 223 G N -1.023 107.855 108.800 0.130 0.000 2.595 223 G HA2 0.036 3.995 3.960 -0.001 0.000 0.213 223 G HA3 0.036 3.995 3.960 -0.001 0.000 0.213 223 G C 1.140 176.049 174.900 0.015 0.000 1.141 223 G CA 0.033 45.149 45.100 0.027 0.000 0.806 223 G HN 0.193 nan 8.290 nan 0.000 0.530 224 L N -0.568 120.688 121.223 0.056 0.000 2.717 224 L HA 0.521 4.861 4.340 -0.001 0.000 0.239 224 L C -0.385 176.727 176.870 0.404 0.000 1.086 224 L CA -0.498 54.454 54.840 0.187 0.000 0.897 224 L CB -0.132 42.059 42.059 0.219 0.000 1.214 224 L HN -0.040 nan 8.230 nan 0.000 0.508 225 F N -0.038 119.918 119.950 0.011 0.000 2.404 225 F HA 0.691 5.217 4.527 -0.001 0.000 0.339 225 F C 0.940 176.797 175.800 0.095 0.000 1.105 225 F CA -1.604 56.416 58.000 0.034 0.000 1.087 225 F CB 0.947 39.939 39.000 -0.013 0.000 1.143 225 F HN -0.078 nan 8.300 nan 0.000 0.491 226 G N 1.469 110.420 108.800 0.251 0.000 2.818 226 G HA2 0.554 4.514 3.960 -0.001 0.000 0.286 226 G HA3 0.554 4.514 3.960 -0.001 0.000 0.286 226 G C -1.655 173.358 174.900 0.189 0.000 1.364 226 G CA -0.755 44.473 45.100 0.213 0.000 0.938 226 G HN 0.353 nan 8.290 nan 0.000 0.490 227 D N -0.952 119.566 120.400 0.197 0.000 2.217 227 D HA 0.715 5.355 4.640 -0.001 0.000 0.248 227 D C 0.408 176.774 176.300 0.110 0.000 1.008 227 D CA 0.277 54.379 54.000 0.170 0.000 0.914 227 D CB 1.800 42.726 40.800 0.209 0.000 1.182 227 D HN 0.808 nan 8.370 nan 0.000 0.451 228 G N -1.188 107.659 108.800 0.079 0.000 2.368 228 G HA2 0.626 4.586 3.960 -0.001 0.000 0.293 228 G HA3 0.626 4.586 3.960 -0.001 0.000 0.293 228 G C -1.967 173.025 174.900 0.153 0.000 1.467 228 G CA -0.436 44.718 45.100 0.090 0.000 0.804 228 G HN 0.571 nan 8.290 nan 0.000 0.535 229 A N -0.891 122.066 122.820 0.227 0.000 2.449 229 A HA 1.053 5.373 4.320 -0.001 0.000 0.302 229 A C -0.219 177.430 177.584 0.108 0.000 1.048 229 A CA 0.100 52.226 52.037 0.148 0.000 0.708 229 A CB 1.701 20.736 19.000 0.059 0.000 1.274 229 A HN 2.445 nan 8.150 nan 0.000 0.410 230 A N 0.654 123.495 122.820 0.036 0.000 2.393 230 A HA 0.917 5.236 4.320 -0.001 0.000 0.306 230 A C -0.268 177.258 177.584 -0.096 0.000 1.050 230 A CA 0.050 52.005 52.037 -0.137 0.000 0.724 230 A CB 1.417 20.329 19.000 -0.147 0.000 1.248 230 A HN 2.429 nan 8.150 nan 0.000 0.424 231 A N 1.248 123.991 122.820 -0.129 0.000 2.386 231 A HA 0.789 5.109 4.320 -0.001 0.000 0.311 231 A C -1.021 176.497 177.584 -0.110 0.000 1.068 231 A CA -0.522 51.456 52.037 -0.098 0.000 0.743 231 A CB 1.463 20.414 19.000 -0.082 0.000 1.258 231 A HN 1.409 nan 8.150 nan 0.000 0.429 232 V N 3.090 122.940 119.914 -0.107 0.000 2.709 232 V HA 0.425 4.544 4.120 -0.001 0.000 0.308 232 V C -0.753 175.238 176.094 -0.171 0.000 1.062 232 V CA -0.561 61.669 62.300 -0.117 0.000 0.901 232 V CB 1.849 33.618 31.823 -0.090 0.000 1.003 232 V HN 0.742 nan 8.190 nan 0.000 0.425 233 I N 4.449 124.879 120.570 -0.233 0.000 2.321 233 I HA 0.440 4.609 4.170 -0.001 0.000 0.291 233 I C -0.221 175.716 176.117 -0.300 0.000 0.998 233 I CA -0.341 60.714 61.300 -0.408 0.000 1.227 233 I CB 1.514 39.050 38.000 -0.775 0.000 1.368 233 I HN 0.281 nan 8.210 nan 0.000 0.466 234 V N 5.433 125.195 119.914 -0.254 0.000 2.459 234 V HA 0.910 5.029 4.120 -0.001 0.000 0.295 234 V C 0.415 176.416 176.094 -0.155 0.000 1.029 234 V CA -0.419 61.786 62.300 -0.158 0.000 0.874 234 V CB 1.754 33.511 31.823 -0.110 0.000 0.985 234 V HN 0.969 nan 8.190 nan 0.000 0.438 235 G N 2.437 111.182 108.800 -0.091 0.000 2.742 235 G HA2 0.734 4.694 3.960 -0.001 0.000 0.296 235 G HA3 0.734 4.694 3.960 -0.001 0.000 0.296 235 G C -1.107 173.789 174.900 -0.007 0.000 1.436 235 G CA -0.067 45.006 45.100 -0.044 0.000 0.928 235 G HN 1.028 nan 8.290 nan 0.000 0.520 236 A N 0.872 123.694 122.820 0.002 0.000 2.294 236 A HA 0.773 5.093 4.320 -0.001 0.000 0.330 236 A C -0.044 177.558 177.584 0.030 0.000 1.133 236 A CA -0.115 51.930 52.037 0.014 0.000 0.836 236 A CB 0.463 19.465 19.000 0.004 0.000 1.190 236 A HN 1.173 nan 8.150 nan 0.000 0.492 237 D N -0.765 119.653 120.400 0.030 0.000 2.956 237 D HA -0.121 4.518 4.640 -0.001 0.000 0.240 237 D C 0.334 176.661 176.300 0.045 0.000 1.141 237 D CA 1.227 55.246 54.000 0.033 0.000 0.820 237 D CB -1.802 39.016 40.800 0.029 0.000 0.988 237 D HN 1.145 nan 8.370 nan 0.000 0.417 238 A N 1.033 123.882 122.820 0.048 0.000 2.565 238 A HA 0.157 4.477 4.320 -0.001 0.000 0.237 238 A C 0.810 178.424 177.584 0.050 0.000 1.053 238 A CA 0.277 52.352 52.037 0.063 0.000 0.755 238 A CB 0.492 19.525 19.000 0.054 0.000 0.980 238 A HN 0.222 nan 8.150 nan 0.000 0.506 239 D N 1.042 121.477 120.400 0.059 0.000 2.372 239 D HA 0.126 4.765 4.640 -0.001 0.000 0.243 239 D C 0.723 177.031 176.300 0.015 0.000 1.297 239 D CA -0.023 53.995 54.000 0.030 0.000 0.958 239 D CB 0.300 41.110 40.800 0.017 0.000 1.114 239 D HN 0.567 nan 8.370 nan 0.000 0.496 240 D N -0.943 119.457 120.400 -0.001 0.000 2.178 240 D HA -0.086 4.554 4.640 -0.001 0.000 0.202 240 D C 1.790 178.079 176.300 -0.017 0.000 0.974 240 D CA 0.628 54.622 54.000 -0.009 0.000 0.841 240 D CB 0.119 40.911 40.800 -0.014 0.000 0.953 240 D HN 0.061 nan 8.370 nan 0.000 0.478 241 V N 0.450 120.346 119.914 -0.031 0.000 2.951 241 V HA -0.015 4.104 4.120 -0.001 0.000 0.255 241 V C 0.766 176.838 176.094 -0.036 0.000 1.088 241 V CA 0.659 62.928 62.300 -0.053 0.000 1.109 241 V CB -0.454 31.309 31.823 -0.099 0.000 0.724 241 V HN 0.126 nan 8.190 nan 0.000 0.471 242 E N 0.916 121.120 120.200 0.006 0.000 2.349 242 E HA 0.389 4.739 4.350 -0.001 0.000 0.265 242 E C -0.123 176.508 176.600 0.051 0.000 1.064 242 E CA -0.508 55.936 56.400 0.074 0.000 0.886 242 E CB 0.647 30.447 29.700 0.167 0.000 1.036 242 E HN 0.074 nan 8.360 nan 0.000 0.413 243 R N 2.754 123.290 120.500 0.060 0.000 2.443 243 R HA 0.280 4.619 4.340 -0.001 0.000 0.287 243 R C -2.535 173.762 176.300 -0.005 0.000 1.425 243 R CA -2.194 53.913 56.100 0.011 0.000 1.300 243 R CB 0.508 30.801 30.300 -0.010 0.000 1.129 243 R HN 0.417 nan 8.270 nan 0.000 0.577 244 P HA 0.083 nan 4.420 nan 0.000 0.268 244 P C 0.534 177.762 177.300 -0.121 0.000 1.204 244 P CA -0.071 63.012 63.100 -0.029 0.000 0.768 244 P CB 1.095 32.790 31.700 -0.008 0.000 0.842 245 L N 1.215 122.340 121.223 -0.164 0.000 2.362 245 L HA 0.259 4.599 4.340 -0.001 0.000 0.204 245 L C 0.386 176.773 176.870 -0.806 0.000 1.060 245 L CA 0.761 55.327 54.840 -0.458 0.000 0.827 245 L CB -0.063 41.789 42.059 -0.345 0.000 1.027 245 L HN 0.237 nan 8.230 nan 0.000 0.474 246 F N -0.671 119.254 119.950 -0.041 0.000 2.596 246 F HA 0.348 4.874 4.527 -0.001 0.000 0.311 246 F C -0.288 175.524 175.800 0.021 0.000 1.116 246 F CA -0.943 57.052 58.000 -0.007 0.000 0.957 246 F CB 1.544 40.552 39.000 0.013 0.000 1.250 246 F HN -0.204 nan 8.300 nan 0.000 0.444 247 E N 3.094 123.432 120.200 0.231 0.000 2.266 247 E HA 0.468 4.817 4.350 -0.001 0.000 0.277 247 E C -0.746 175.946 176.600 0.154 0.000 1.018 247 E CA -0.591 55.909 56.400 0.167 0.000 0.840 247 E CB 1.993 31.788 29.700 0.158 0.000 1.082 247 E HN 0.458 nan 8.360 nan 0.000 0.395 248 I N 3.758 124.381 120.570 0.088 0.000 2.276 248 I HA 0.009 4.179 4.170 -0.001 0.000 0.290 248 I C 1.173 177.307 176.117 0.028 0.000 1.109 248 I CA -0.229 61.100 61.300 0.049 0.000 1.229 248 I CB 0.582 38.599 38.000 0.029 0.000 1.452 248 I HN 0.435 nan 8.210 nan 0.000 0.497 249 V N 3.180 123.101 119.914 0.012 0.000 2.295 249 V HA -0.165 3.954 4.120 -0.001 0.000 0.246 249 V C 1.035 177.133 176.094 0.006 0.000 1.049 249 V CA 1.412 63.705 62.300 -0.012 0.000 1.024 249 V CB -0.283 31.504 31.823 -0.060 0.000 0.648 249 V HN 0.764 nan 8.190 nan 0.000 0.447 250 S N -1.692 114.022 115.700 0.022 0.000 2.535 250 S HA 0.736 5.205 4.470 -0.001 0.000 0.272 250 S C -1.192 173.530 174.600 0.203 0.000 1.149 250 S CA 0.005 58.278 58.200 0.122 0.000 0.888 250 S CB 1.709 65.041 63.200 0.220 0.000 1.110 250 S HN 0.618 nan 8.310 nan 0.000 0.463 251 A N 2.326 125.247 122.820 0.167 0.000 2.343 251 A HA 0.972 5.291 4.320 -0.001 0.000 0.308 251 A C -0.238 177.381 177.584 0.058 0.000 1.092 251 A CA -0.109 52.008 52.037 0.133 0.000 0.751 251 A CB 1.131 20.164 19.000 0.055 0.000 1.203 251 A HN 1.499 nan 8.150 nan 0.000 0.452 252 A N 1.651 124.464 122.820 -0.013 0.000 2.564 252 A HA 0.923 5.242 4.320 -0.001 0.000 0.288 252 A C -0.823 176.642 177.584 -0.199 0.000 1.164 252 A CA -0.561 51.372 52.037 -0.172 0.000 0.712 252 A CB 1.677 20.425 19.000 -0.421 0.000 1.303 252 A HN 1.008 nan 8.150 nan 0.000 0.418 253 Q N -0.418 119.248 119.800 -0.224 0.000 2.391 253 Q HA 0.639 4.978 4.340 -0.001 0.000 0.279 253 Q C -1.434 174.427 176.000 -0.232 0.000 1.028 253 Q CA -0.326 55.333 55.803 -0.239 0.000 0.836 253 Q CB 2.405 31.012 28.738 -0.219 0.000 1.414 253 Q HN 0.994 nan 8.270 nan 0.000 0.397 254 T N 1.787 116.193 114.554 -0.245 0.000 2.739 254 T HA 0.652 5.002 4.350 -0.001 0.000 0.303 254 T C -1.676 172.919 174.700 -0.174 0.000 1.389 254 T CA -0.396 61.593 62.100 -0.186 0.000 1.001 254 T CB 1.200 69.973 68.868 -0.157 0.000 1.436 254 T HN 0.506 nan 8.240 nan 0.000 0.500 255 I N 1.884 122.388 120.570 -0.110 0.000 2.509 255 I HA 0.513 4.683 4.170 -0.001 0.000 0.293 255 I C -0.474 175.630 176.117 -0.021 0.000 1.020 255 I CA -0.977 60.279 61.300 -0.074 0.000 1.088 255 I CB 1.974 39.935 38.000 -0.065 0.000 1.267 255 I HN 0.525 nan 8.210 nan 0.000 0.430 256 I N 7.601 128.180 120.570 0.016 0.000 2.337 256 I HA 0.234 4.404 4.170 -0.001 0.000 0.291 256 I C -2.114 174.018 176.117 0.025 0.000 1.046 256 I CA -1.641 59.681 61.300 0.036 0.000 1.324 256 I CB 0.561 38.601 38.000 0.067 0.000 1.409 256 I HN 0.219 nan 8.210 nan 0.000 0.494 257 P HA 0.035 nan 4.420 nan 0.000 0.269 257 P C -0.465 176.863 177.300 0.046 0.000 1.215 257 P CA -0.146 62.969 63.100 0.026 0.000 0.780 257 P CB 0.295 32.008 31.700 0.021 0.000 0.898 258 E N -0.205 120.031 120.200 0.059 0.000 2.297 258 E HA -0.193 4.157 4.350 -0.001 0.000 0.228 258 E C -0.195 176.505 176.600 0.168 0.000 1.213 258 E CA 0.831 57.293 56.400 0.103 0.000 0.712 258 E CB -2.149 27.601 29.700 0.083 0.000 1.202 258 E HN 0.585 nan 8.360 nan 0.000 0.376 259 S N -1.755 114.006 115.700 0.100 0.000 2.960 259 S HA 0.025 4.495 4.470 -0.001 0.000 0.256 259 S C 0.951 175.493 174.600 -0.095 0.000 1.017 259 S CA -0.009 58.173 58.200 -0.030 0.000 1.144 259 S CB 0.407 63.584 63.200 -0.037 0.000 1.109 259 S HN 0.284 nan 8.310 nan 0.000 0.638 260 D N 2.681 123.107 120.400 0.044 0.000 2.219 260 D HA -0.252 4.388 4.640 -0.001 0.000 0.205 260 D C 1.710 178.031 176.300 0.034 0.000 0.970 260 D CA 1.472 55.498 54.000 0.043 0.000 0.851 260 D CB -1.000 39.844 40.800 0.075 0.000 0.943 260 D HN 0.788 nan 8.370 nan 0.000 0.488 261 H N 0.327 119.416 119.070 0.032 0.000 2.495 261 H HA 0.293 4.849 4.556 -0.001 0.000 0.287 261 H C 1.672 177.019 175.328 0.032 0.000 1.033 261 H CA 1.065 57.130 56.048 0.029 0.000 1.307 261 H CB -0.331 29.443 29.762 0.020 0.000 1.401 261 H HN 0.230 nan 8.280 nan 0.000 0.555 262 A N 0.945 123.422 122.820 -0.571 0.000 2.067 262 A HA 0.257 4.576 4.320 -0.001 0.000 0.217 262 A C 0.806 178.323 177.584 -0.112 0.000 1.156 262 A CA 0.556 52.378 52.037 -0.359 0.000 0.683 262 A CB 0.008 18.776 19.000 -0.385 0.000 0.808 262 A HN 0.359 nan 8.150 nan 0.000 0.455 263 L N 0.251 121.438 121.223 -0.061 0.000 2.795 263 L HA 0.452 4.792 4.340 -0.001 0.000 0.260 263 L C -1.657 175.239 176.870 0.044 0.000 0.935 263 L CA -0.312 54.535 54.840 0.012 0.000 0.985 263 L CB 1.449 43.526 42.059 0.030 0.000 1.433 263 L HN 0.474 nan 8.230 nan 0.000 0.447 264 N N 3.834 122.571 118.700 0.060 0.000 3.046 264 N HA 0.851 5.591 4.740 -0.001 0.000 0.243 264 N C -1.293 174.270 175.510 0.088 0.000 1.452 264 N CA -0.739 52.358 53.050 0.077 0.000 0.882 264 N CB 1.384 39.914 38.487 0.071 0.000 1.425 264 N HN 0.596 nan 8.380 nan 0.000 0.517 265 M N -1.569 118.091 119.600 0.101 0.000 2.520 265 M HA 0.683 5.162 4.480 -0.001 0.000 0.280 265 M C -1.896 174.486 176.300 0.136 0.000 1.232 265 M CA -0.728 54.648 55.300 0.126 0.000 0.892 265 M CB 3.270 35.967 32.600 0.162 0.000 1.728 265 M HN 0.851 nan 8.290 nan 0.000 0.475 266 R N 0.969 121.566 120.500 0.160 0.000 2.663 266 R HA 0.613 4.953 4.340 -0.001 0.000 0.267 266 R C -2.057 174.403 176.300 0.267 0.000 1.038 266 R CA -0.775 55.441 56.100 0.192 0.000 0.886 266 R CB 1.168 31.543 30.300 0.124 0.000 1.249 266 R HN 0.544 nan 8.270 nan 0.000 0.463 267 F N 1.740 121.687 119.950 -0.005 0.000 2.529 267 F HA 0.254 4.781 4.527 0.001 0.000 0.365 267 F C 1.192 176.980 175.800 -0.020 0.000 1.102 267 F CA 0.602 58.586 58.000 -0.027 0.000 1.271 267 F CB 1.240 40.209 39.000 -0.052 0.000 1.120 267 F HN 0.699 nan 8.300 nan 0.000 0.579 268 T N -0.953 113.642 114.554 0.068 0.000 2.888 268 T HA 0.379 4.729 4.350 -0.001 0.000 0.288 268 T C 0.775 175.479 174.700 0.007 0.000 1.063 268 T CA -0.760 61.364 62.100 0.040 0.000 1.010 268 T CB 1.402 70.278 68.868 0.014 0.000 1.214 268 T HN 0.542 nan 8.240 nan 0.000 0.533 269 E N -0.100 120.107 120.200 0.012 0.000 2.160 269 E HA -0.102 4.248 4.350 -0.001 0.000 0.195 269 E C 2.177 178.769 176.600 -0.014 0.000 0.991 269 E CA 1.124 57.527 56.400 0.006 0.000 0.810 269 E CB -0.031 29.676 29.700 0.013 0.000 0.742 269 E HN 0.507 nan 8.360 nan 0.000 0.466 270 R N -0.091 120.393 120.500 -0.026 0.000 2.156 270 R HA 0.147 4.486 4.340 -0.001 0.000 0.207 270 R C 0.666 176.915 176.300 -0.086 0.000 1.040 270 R CA 0.566 56.647 56.100 -0.032 0.000 1.013 270 R CB 0.241 30.529 30.300 -0.020 0.000 0.931 270 R HN 0.070 nan 8.270 nan 0.000 0.465 271 R N -1.344 119.082 120.500 -0.123 0.000 2.993 271 R HA 0.111 4.450 4.340 -0.001 0.000 0.288 271 R C -1.791 174.380 176.300 -0.215 0.000 0.982 271 R CA -0.996 54.983 56.100 -0.201 0.000 0.832 271 R CB 0.059 30.271 30.300 -0.148 0.000 1.340 271 R HN -0.116 nan 8.270 nan 0.000 0.516 272 L N 1.783 122.823 121.223 -0.305 0.000 2.410 272 L HA 0.392 4.731 4.340 -0.001 0.000 0.273 272 L C -0.647 176.260 176.870 0.061 0.000 1.144 272 L CA 0.986 55.703 54.840 -0.206 0.000 0.863 272 L CB 0.535 42.369 42.059 -0.375 0.000 1.140 272 L HN 0.669 nan 8.230 nan 0.000 0.463 273 D N 2.271 122.723 120.400 0.086 0.000 2.592 273 D HA 0.865 5.505 4.640 -0.001 0.000 0.263 273 D C -0.337 176.023 176.300 0.100 0.000 1.132 273 D CA 0.433 54.486 54.000 0.087 0.000 0.996 273 D CB 2.271 43.091 40.800 0.033 0.000 1.442 273 D HN 0.720 nan 8.370 nan 0.000 0.486 274 G N -1.030 107.808 108.800 0.063 0.000 2.392 274 G HA2 0.418 4.378 3.960 -0.001 0.000 0.260 274 G HA3 0.418 4.378 3.960 -0.001 0.000 0.260 274 G C -1.878 173.042 174.900 0.035 0.000 1.226 274 G CA -0.187 44.950 45.100 0.063 0.000 0.913 274 G HN 0.473 nan 8.290 nan 0.000 0.483 275 V N 0.589 120.527 119.914 0.040 0.000 2.638 275 V HA 0.614 4.734 4.120 -0.001 0.000 0.306 275 V C -0.512 175.600 176.094 0.029 0.000 1.052 275 V CA -0.496 61.819 62.300 0.026 0.000 0.885 275 V CB 1.663 33.506 31.823 0.034 0.000 0.999 275 V HN 0.619 nan 8.190 nan 0.000 0.424 276 L N 4.602 125.835 121.223 0.017 0.000 2.408 276 L HA 0.568 4.908 4.340 -0.001 0.000 0.257 276 L C 0.876 177.759 176.870 0.021 0.000 1.053 276 L CA -0.317 54.539 54.840 0.027 0.000 0.922 276 L CB 1.269 43.339 42.059 0.019 0.000 1.261 276 L HN 0.794 nan 8.230 nan 0.000 0.458 277 G N 0.955 109.762 108.800 0.012 0.000 2.527 277 G HA2 0.190 4.150 3.960 -0.001 0.000 0.248 277 G HA3 0.190 4.150 3.960 -0.001 0.000 0.248 277 G C 0.784 175.691 174.900 0.013 0.000 1.231 277 G CA -0.408 44.698 45.100 0.011 0.000 0.838 277 G HN 0.640 nan 8.290 nan 0.000 0.570 278 R N 0.269 120.784 120.500 0.025 0.000 2.139 278 R HA -0.146 4.194 4.340 -0.001 0.000 0.243 278 R C 2.403 178.707 176.300 0.006 0.000 1.145 278 R CA 1.644 57.757 56.100 0.022 0.000 0.976 278 R CB 0.017 30.337 30.300 0.032 0.000 0.866 278 R HN 0.735 nan 8.270 nan 0.000 0.449 279 Q N 0.508 120.309 119.800 0.001 0.000 2.444 279 Q HA 0.009 4.348 4.340 -0.001 0.000 0.206 279 Q C 1.786 177.760 176.000 -0.043 0.000 0.948 279 Q CA 0.594 56.390 55.803 -0.012 0.000 0.946 279 Q CB -0.082 28.663 28.738 0.012 0.000 1.027 279 Q HN 0.162 nan 8.270 nan 0.000 0.513 280 V N 2.358 122.245 119.914 -0.044 0.000 2.255 280 V HA -0.190 3.929 4.120 -0.001 0.000 0.247 280 V C -0.467 175.569 176.094 -0.095 0.000 1.051 280 V CA 2.195 64.459 62.300 -0.060 0.000 1.018 280 V CB -1.591 30.217 31.823 -0.025 0.000 0.641 280 V HN 0.289 nan 8.190 nan 0.000 0.445 281 P HA -0.106 nan 4.420 nan 0.000 0.215 281 P C 1.686 178.912 177.300 -0.123 0.000 1.153 281 P CA 1.841 64.878 63.100 -0.105 0.000 0.853 281 P CB -0.340 31.320 31.700 -0.068 0.000 0.788 282 G N -0.314 108.434 108.800 -0.087 0.000 2.408 282 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.217 282 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.217 282 G C 1.499 176.345 174.900 -0.091 0.000 1.150 282 G CA 0.479 45.534 45.100 -0.076 0.000 0.776 282 G HN 0.218 nan 8.290 nan 0.000 0.542 283 L N 0.001 121.165 121.223 -0.099 0.000 2.056 283 L HA 0.015 4.354 4.340 -0.001 0.000 0.207 283 L C 2.825 179.593 176.870 -0.170 0.000 1.078 283 L CA 0.610 55.391 54.840 -0.099 0.000 0.749 283 L CB -0.303 41.709 42.059 -0.079 0.000 0.901 283 L HN 0.194 nan 8.230 nan 0.000 0.433 284 I N -0.308 120.081 120.570 -0.302 0.000 2.142 284 I HA -0.215 3.954 4.170 -0.001 0.000 0.240 284 I C 2.671 178.580 176.117 -0.346 0.000 1.078 284 I CA 1.496 62.456 61.300 -0.568 0.000 1.343 284 I CB -0.953 36.554 38.000 -0.822 0.000 1.046 284 I HN 0.273 nan 8.210 nan 0.000 0.405 285 G N 0.465 109.123 108.800 -0.237 0.000 2.469 285 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.219 285 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.219 285 G C 1.222 176.056 174.900 -0.110 0.000 1.150 285 G CA 1.263 46.268 45.100 -0.159 0.000 0.763 285 G HN 0.299 nan 8.290 nan 0.000 0.561 286 D N -0.076 120.270 120.400 -0.089 0.000 2.269 286 D HA 0.002 4.641 4.640 -0.001 0.000 0.208 286 D C 1.960 178.243 176.300 -0.028 0.000 0.963 286 D CA 0.575 54.547 54.000 -0.047 0.000 0.864 286 D CB 0.050 40.830 40.800 -0.033 0.000 0.936 286 D HN 0.311 nan 8.370 nan 0.000 0.505 287 N N -0.595 118.085 118.700 -0.033 0.000 2.239 287 N HA -0.017 4.723 4.740 -0.001 0.000 0.208 287 N C 1.662 177.208 175.510 0.060 0.000 1.200 287 N CA 0.014 53.076 53.050 0.020 0.000 0.895 287 N CB 1.222 39.736 38.487 0.044 0.000 1.085 287 N HN -0.024 nan 8.380 nan 0.000 0.500 288 V N 2.198 122.134 119.914 0.037 0.000 2.332 288 V HA -0.240 3.879 4.120 -0.001 0.000 0.248 288 V C 2.308 178.411 176.094 0.015 0.000 1.055 288 V CA 2.154 64.529 62.300 0.125 0.000 1.038 288 V CB -0.142 31.718 31.823 0.062 0.000 0.651 288 V HN 0.286 nan 8.190 nan 0.000 0.450 289 E N -0.097 120.071 120.200 -0.054 0.000 2.047 289 E HA -0.284 4.066 4.350 -0.001 0.000 0.191 289 E C 2.498 179.152 176.600 0.090 0.000 0.987 289 E CA 1.516 57.883 56.400 -0.055 0.000 0.799 289 E CB -0.381 29.326 29.700 0.011 0.000 0.752 289 E HN 0.590 nan 8.360 nan 0.000 0.449 290 R N 0.109 120.658 120.500 0.082 0.000 2.091 290 R HA -0.173 4.167 4.340 -0.001 0.000 0.238 290 R C 2.339 178.680 176.300 0.068 0.000 1.136 290 R CA 1.852 58.003 56.100 0.086 0.000 0.959 290 R CB -0.572 29.763 30.300 0.059 0.000 0.856 290 R HN 0.346 nan 8.270 nan 0.000 0.437 291 C N 0.687 120.020 119.300 0.055 0.000 2.413 291 C HA -0.082 4.378 4.460 -0.001 0.000 0.276 291 C C 2.677 177.661 174.990 -0.010 0.000 1.236 291 C CA 0.598 59.623 59.018 0.012 0.000 1.735 291 C CB -0.993 26.762 27.740 0.025 0.000 2.031 291 C HN 0.516 nan 8.230 nan 0.000 0.474 292 L N 0.226 121.487 121.223 0.063 0.000 2.046 292 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 292 L C 2.540 179.565 176.870 0.259 0.000 1.077 292 L CA 1.428 56.375 54.840 0.178 0.000 0.747 292 L CB -0.576 41.611 42.059 0.212 0.000 0.896 292 L HN 0.402 nan 8.230 nan 0.000 0.432 293 L N -0.802 120.578 121.223 0.263 0.000 2.056 293 L HA -0.188 4.152 4.340 -0.001 0.000 0.207 293 L C 2.250 179.183 176.870 0.105 0.000 1.078 293 L CA 0.926 55.909 54.840 0.240 0.000 0.749 293 L CB -0.661 41.540 42.059 0.237 0.000 0.901 293 L HN 0.244 nan 8.230 nan 0.000 0.433 294 D N 0.040 120.464 120.400 0.040 0.000 2.104 294 D HA -0.205 4.435 4.640 -0.001 0.000 0.194 294 D C 2.322 178.561 176.300 -0.102 0.000 0.994 294 D CA 1.486 55.471 54.000 -0.024 0.000 0.830 294 D CB -0.126 40.651 40.800 -0.040 0.000 0.959 294 D HN 0.279 nan 8.370 nan 0.000 0.452 295 M N -1.033 118.433 119.600 -0.224 0.000 2.175 295 M HA -0.088 4.392 4.480 -0.001 0.000 0.264 295 M C 1.286 177.251 176.300 -0.560 0.000 1.063 295 M CA 1.220 56.210 55.300 -0.517 0.000 1.119 295 M CB 0.021 32.082 32.600 -0.898 0.000 1.377 295 M HN -0.013 nan 8.290 nan 0.000 0.415 296 F N -1.131 118.839 119.950 0.034 0.000 2.680 296 F HA 0.367 4.894 4.527 -0.000 0.000 0.290 296 F C 1.840 177.653 175.800 0.023 0.000 1.114 296 F CA 0.384 58.399 58.000 0.026 0.000 1.333 296 F CB -0.871 38.151 39.000 0.037 0.000 1.091 296 F HN 0.255 nan 8.300 nan 0.000 0.606 297 G N 2.020 110.924 108.800 0.173 0.000 2.651 297 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.315 297 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.315 297 G C -1.302 173.652 174.900 0.089 0.000 1.258 297 G CA 0.442 45.604 45.100 0.103 0.000 1.002 297 G HN 0.200 nan 8.290 nan 0.000 0.551 298 P HA 0.027 nan 4.420 nan 0.000 0.219 298 P C 2.156 179.469 177.300 0.022 0.000 1.146 298 P CA 1.283 64.400 63.100 0.029 0.000 0.808 298 P CB -0.165 31.547 31.700 0.020 0.000 0.779 299 L N -1.586 119.665 121.223 0.047 0.000 2.261 299 L HA -0.135 4.205 4.340 -0.001 0.000 0.216 299 L C 1.923 178.783 176.870 -0.017 0.000 1.114 299 L CA 1.101 55.952 54.840 0.018 0.000 0.777 299 L CB -0.705 41.380 42.059 0.044 0.000 0.910 299 L HN 0.022 nan 8.230 nan 0.000 0.440 300 L N -0.601 120.628 121.223 0.010 0.000 2.611 300 L HA 0.184 4.524 4.340 -0.001 0.000 0.229 300 L C 1.353 178.171 176.870 -0.086 0.000 1.137 300 L CA -0.525 54.287 54.840 -0.046 0.000 0.901 300 L CB -0.461 41.598 42.059 0.000 0.000 1.098 300 L HN 0.114 nan 8.230 nan 0.000 0.456 301 G N -0.101 108.668 108.800 -0.052 0.000 2.544 301 G HA2 0.441 4.401 3.960 -0.001 0.000 0.242 301 G HA3 0.441 4.401 3.960 -0.001 0.000 0.242 301 G C 0.298 175.159 174.900 -0.063 0.000 1.247 301 G CA 0.566 45.633 45.100 -0.056 0.000 0.840 301 G HN 0.322 nan 8.290 nan 0.000 0.578 302 G N -0.098 108.664 108.800 -0.062 0.000 2.619 302 G HA2 0.367 4.327 3.960 -0.001 0.000 0.686 302 G HA3 0.367 4.327 3.960 -0.001 0.000 0.686 302 G C -1.048 173.812 174.900 -0.066 0.000 1.256 302 G CA 0.103 45.171 45.100 -0.053 0.000 0.826 302 G HN 1.212 nan 8.290 nan 0.000 0.619 303 D N -0.786 119.585 120.400 -0.047 0.000 2.711 303 D HA 0.679 5.318 4.640 -0.001 0.000 0.204 303 D C 0.729 177.016 176.300 -0.023 0.000 1.257 303 D CA 1.888 55.861 54.000 -0.045 0.000 0.808 303 D CB 0.908 41.678 40.800 -0.051 0.000 1.780 303 D HN 2.061 nan 8.370 nan 0.000 0.537 304 G N 1.982 110.775 108.800 -0.012 0.000 2.539 304 G HA2 0.334 4.294 3.960 -0.001 0.000 0.230 304 G HA3 0.334 4.294 3.960 -0.001 0.000 0.230 304 G C 0.978 175.879 174.900 0.002 0.000 1.758 304 G CA 0.894 45.988 45.100 -0.010 0.000 1.433 304 G HN 1.777 nan 8.290 nan 0.000 0.494 305 G N -1.119 107.679 108.800 -0.003 0.000 2.278 305 G HA2 0.318 4.278 3.960 -0.001 0.000 0.210 305 G HA3 0.318 4.278 3.960 -0.001 0.000 0.210 305 G C 1.566 176.477 174.900 0.017 0.000 1.000 305 G CA 1.236 46.340 45.100 0.007 0.000 0.635 305 G HN 2.285 nan 8.290 nan 0.000 0.495 306 G N -0.227 108.589 108.800 0.026 0.000 3.979 306 G HA2 0.590 4.549 3.960 -0.001 0.000 0.287 306 G HA3 0.590 4.549 3.960 -0.001 0.000 0.287 306 G C 1.480 176.415 174.900 0.058 0.000 1.011 306 G CA 1.563 46.695 45.100 0.052 0.000 0.818 306 G HN 1.883 nan 8.290 nan 0.000 0.470 307 G N 0.508 109.302 108.800 -0.010 0.000 2.629 307 G HA2 -0.409 3.551 3.960 -0.001 0.000 0.313 307 G HA3 -0.409 3.551 3.960 -0.001 0.000 0.313 307 G C 1.045 175.907 174.900 -0.064 0.000 1.217 307 G CA 0.756 45.794 45.100 -0.103 0.000 0.994 307 G HN 0.374 nan 8.290 nan 0.000 0.549 308 W N 1.424 122.820 121.300 0.161 0.000 2.465 308 W HA 0.103 4.763 4.660 -0.001 0.000 0.268 308 W C 2.599 179.339 176.519 0.368 0.000 1.242 308 W CA 0.772 58.292 57.345 0.292 0.000 1.248 308 W CB -0.242 29.396 29.460 0.297 0.000 1.118 308 W HN 0.474 nan 8.180 nan 0.000 0.587 309 N N 0.291 119.242 118.700 0.419 0.000 2.520 309 N HA -0.147 4.593 4.740 -0.001 0.000 0.185 309 N C 0.781 176.450 175.510 0.265 0.000 1.068 309 N CA 1.053 54.306 53.050 0.339 0.000 0.911 309 N CB -0.241 38.376 38.487 0.217 0.000 0.961 309 N HN 0.036 nan 8.380 nan 0.000 0.446 310 D N 0.319 120.835 120.400 0.194 0.000 2.263 310 D HA -0.029 4.610 4.640 -0.001 0.000 0.208 310 D C 0.340 176.708 176.300 0.114 0.000 0.971 310 D CA 0.811 54.881 54.000 0.117 0.000 0.867 310 D CB 0.168 40.990 40.800 0.037 0.000 0.929 310 D HN 0.295 nan 8.370 nan 0.000 0.492 311 L N 0.109 121.411 121.223 0.131 0.000 2.334 311 L HA 0.388 4.728 4.340 -0.001 0.000 0.270 311 L C 0.180 177.010 176.870 -0.066 0.000 1.018 311 L CA -1.360 53.404 54.840 -0.127 0.000 0.811 311 L CB 1.026 42.816 42.059 -0.448 0.000 1.271 311 L HN -0.142 nan 8.230 nan 0.000 0.443 312 F N -1.075 118.773 119.950 -0.170 0.000 2.380 312 F HA 0.675 5.202 4.527 -0.001 0.000 0.319 312 F C -1.149 174.413 175.800 -0.396 0.000 1.113 312 F CA -1.218 56.737 58.000 -0.074 0.000 1.056 312 F CB 0.583 39.605 39.000 0.036 0.000 1.289 312 F HN 0.210 nan 8.300 nan 0.000 0.515 313 W N 0.892 122.372 121.300 0.301 0.000 3.042 313 W HA 0.689 5.348 4.660 -0.001 0.000 0.337 313 W C -1.226 175.396 176.519 0.171 0.000 1.086 313 W CA -1.080 56.352 57.345 0.145 0.000 1.236 313 W CB 2.182 31.702 29.460 0.098 0.000 1.381 313 W HN 0.791 nan 8.180 nan 0.000 0.472 314 A N 3.180 126.187 122.820 0.312 0.000 2.483 314 A HA 0.678 4.998 4.320 -0.001 0.000 0.308 314 A C -1.489 176.221 177.584 0.209 0.000 1.291 314 A CA -0.675 51.488 52.037 0.210 0.000 0.774 314 A CB 0.746 19.805 19.000 0.097 0.000 1.134 314 A HN 0.795 nan 8.150 nan 0.000 0.471 315 V N 2.443 122.491 119.914 0.223 0.000 2.604 315 V HA 0.589 4.709 4.120 -0.001 0.000 0.305 315 V C -0.163 176.046 176.094 0.191 0.000 1.043 315 V CA -0.704 61.731 62.300 0.225 0.000 0.888 315 V CB 1.364 33.344 31.823 0.261 0.000 0.995 315 V HN 0.948 nan 8.190 nan 0.000 0.429 316 H N 8.806 127.951 119.070 0.125 0.000 3.187 316 H HA 0.245 4.801 4.556 -0.000 0.000 0.286 316 H C -1.700 173.683 175.328 0.090 0.000 0.944 316 H CA 0.014 56.120 56.048 0.096 0.000 1.429 316 H CB 1.293 31.113 29.762 0.097 0.000 1.483 316 H HN 0.624 nan 8.280 nan 0.000 0.555 317 P HA -0.041 nan 4.420 nan 0.000 0.214 317 P C 1.241 178.454 177.300 -0.144 0.000 1.162 317 P CA 1.874 64.874 63.100 -0.166 0.000 0.874 317 P CB 0.123 31.736 31.700 -0.145 0.000 0.784 318 G N 0.176 108.822 108.800 -0.256 0.000 5.229 318 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.250 318 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.250 318 G C 0.331 175.224 174.900 -0.011 0.000 1.380 318 G CA 1.026 46.093 45.100 -0.056 0.000 0.933 318 G HN 0.885 nan 8.290 nan 0.000 0.731 319 S N -1.527 114.163 115.700 -0.018 0.000 2.643 319 S HA 0.701 5.171 4.470 -0.001 0.000 0.270 319 S C 1.042 175.626 174.600 -0.027 0.000 1.166 319 S CA 0.664 58.856 58.200 -0.012 0.000 0.815 319 S CB 1.124 64.325 63.200 0.002 0.000 1.139 319 S HN 1.938 nan 8.310 nan 0.000 0.472 320 S N 0.458 116.141 115.700 -0.027 0.000 2.383 320 S HA -0.101 4.368 4.470 -0.001 0.000 0.227 320 S C 1.596 176.174 174.600 -0.037 0.000 1.026 320 S CA 1.793 59.974 58.200 -0.031 0.000 0.981 320 S CB -1.534 61.648 63.200 -0.029 0.000 0.818 320 S HN 0.806 nan 8.310 nan 0.000 0.472 321 T N 2.736 117.269 114.554 -0.035 0.000 2.788 321 T HA 0.115 4.465 4.350 -0.001 0.000 0.268 321 T C 1.730 176.396 174.700 -0.056 0.000 1.044 321 T CA 1.457 63.532 62.100 -0.042 0.000 1.139 321 T CB -0.463 68.384 68.868 -0.035 0.000 0.867 321 T HN 0.407 nan 8.240 nan 0.000 0.454 322 I N 0.794 121.332 120.570 -0.055 0.000 2.202 322 I HA -0.153 4.016 4.170 -0.001 0.000 0.242 322 I C 2.568 178.634 176.117 -0.086 0.000 1.091 322 I CA 1.011 62.265 61.300 -0.077 0.000 1.368 322 I CB -0.344 37.623 38.000 -0.055 0.000 1.058 322 I HN 0.201 nan 8.210 nan 0.000 0.410 323 M N 0.045 119.607 119.600 -0.064 0.000 2.108 323 M HA -0.221 4.259 4.480 -0.001 0.000 0.261 323 M C 1.800 178.049 176.300 -0.086 0.000 1.066 323 M CA 1.758 57.017 55.300 -0.068 0.000 1.107 323 M CB -1.230 31.343 32.600 -0.046 0.000 1.356 323 M HN 0.207 nan 8.290 nan 0.000 0.406 324 D N 0.120 120.477 120.400 -0.072 0.000 2.144 324 D HA -0.144 4.496 4.640 -0.001 0.000 0.199 324 D C 2.233 178.480 176.300 -0.089 0.000 0.984 324 D CA 0.949 54.906 54.000 -0.071 0.000 0.834 324 D CB -0.243 40.524 40.800 -0.055 0.000 0.955 324 D HN 0.335 nan 8.370 nan 0.000 0.465 325 Q N 0.275 120.015 119.800 -0.100 0.000 2.079 325 Q HA -0.060 4.280 4.340 -0.001 0.000 0.200 325 Q C 2.484 178.394 176.000 -0.150 0.000 0.974 325 Q CA 0.509 56.241 55.803 -0.118 0.000 0.840 325 Q CB -0.355 28.305 28.738 -0.129 0.000 0.898 325 Q HN 0.232 nan 8.270 nan 0.000 0.430 326 V N 1.702 121.513 119.914 -0.171 0.000 2.295 326 V HA -0.239 3.881 4.120 -0.001 0.000 0.246 326 V C 1.844 177.783 176.094 -0.258 0.000 1.049 326 V CA 1.909 64.074 62.300 -0.225 0.000 1.024 326 V CB -0.557 31.137 31.823 -0.215 0.000 0.648 326 V HN 0.234 nan 8.190 nan 0.000 0.447 327 D N 0.534 120.810 120.400 -0.206 0.000 2.106 327 D HA -0.192 4.448 4.640 -0.001 0.000 0.191 327 D C 2.206 178.426 176.300 -0.134 0.000 0.997 327 D CA 1.971 55.865 54.000 -0.176 0.000 0.834 327 D CB -0.363 40.369 40.800 -0.114 0.000 0.956 327 D HN 0.440 nan 8.370 nan 0.000 0.448 328 A N 0.612 123.368 122.820 -0.107 0.000 1.930 328 A HA 0.022 4.342 4.320 -0.001 0.000 0.217 328 A C 2.267 179.806 177.584 -0.075 0.000 1.175 328 A CA 2.086 54.079 52.037 -0.074 0.000 0.627 328 A CB -0.565 18.398 19.000 -0.062 0.000 0.815 328 A HN 0.244 nan 8.150 nan 0.000 0.443 329 A N -0.579 122.172 122.820 -0.115 0.000 1.930 329 A HA 0.118 4.438 4.320 -0.001 0.000 0.217 329 A C 1.845 179.354 177.584 -0.126 0.000 1.175 329 A CA 1.346 53.313 52.037 -0.115 0.000 0.627 329 A CB -0.339 18.568 19.000 -0.154 0.000 0.815 329 A HN 0.453 nan 8.150 nan 0.000 0.443 330 L N -1.363 119.741 121.223 -0.199 0.000 2.693 330 L HA 0.275 4.615 4.340 -0.001 0.000 0.235 330 L C 1.359 178.249 176.870 0.033 0.000 1.127 330 L CA 0.301 55.008 54.840 -0.222 0.000 0.914 330 L CB -0.024 41.679 42.059 -0.593 0.000 1.193 330 L HN 0.507 nan 8.230 nan 0.000 0.502 331 G N 1.680 110.485 108.800 0.007 0.000 2.305 331 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.287 331 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.287 331 G C 0.138 175.064 174.900 0.044 0.000 1.036 331 G CA 0.038 45.166 45.100 0.047 0.000 0.887 331 G HN 0.262 nan 8.290 nan 0.000 0.505 332 L N 0.479 121.684 121.223 -0.030 0.000 2.380 332 L HA 0.336 4.676 4.340 -0.001 0.000 0.273 332 L C 1.373 178.243 176.870 0.000 0.000 1.138 332 L CA -0.632 54.188 54.840 -0.033 0.000 0.832 332 L CB 0.624 42.569 42.059 -0.190 0.000 1.124 332 L HN 0.575 nan 8.230 nan 0.000 0.454 333 E N 3.519 123.746 120.200 0.045 0.000 2.390 333 E HA 0.118 4.468 4.350 -0.001 0.000 0.261 333 E C -2.081 174.542 176.600 0.039 0.000 1.076 333 E CA -1.665 54.763 56.400 0.048 0.000 0.905 333 E CB 0.462 30.205 29.700 0.071 0.000 0.984 333 E HN 0.353 nan 8.360 nan 0.000 0.427 334 P HA -0.183 nan 4.420 nan 0.000 0.217 334 P C 1.259 178.589 177.300 0.049 0.000 1.151 334 P CA 2.013 65.131 63.100 0.030 0.000 0.849 334 P CB -0.091 31.627 31.700 0.029 0.000 0.787 335 G N -0.785 108.060 108.800 0.075 0.000 2.650 335 G HA2 -0.157 3.803 3.960 -0.001 0.000 0.214 335 G HA3 -0.157 3.803 3.960 -0.001 0.000 0.214 335 G C 1.495 176.478 174.900 0.139 0.000 1.136 335 G CA 0.278 45.441 45.100 0.105 0.000 0.789 335 G HN 0.198 nan 8.290 nan 0.000 0.536 336 K N 0.231 120.713 120.400 0.137 0.000 2.057 336 K HA 0.127 4.446 4.320 -0.001 0.000 0.206 336 K C 1.955 178.670 176.600 0.191 0.000 1.050 336 K CA 0.537 56.950 56.287 0.210 0.000 0.935 336 K CB -0.270 32.334 32.500 0.173 0.000 0.715 336 K HN 0.339 nan 8.250 nan 0.000 0.439 337 L N 0.570 121.842 121.223 0.082 0.000 2.653 337 L HA 0.160 4.500 4.340 -0.001 0.000 0.231 337 L C 1.972 178.892 176.870 0.083 0.000 1.153 337 L CA -0.188 54.696 54.840 0.073 0.000 0.933 337 L CB -0.169 41.883 42.059 -0.011 0.000 1.175 337 L HN 0.003 nan 8.230 nan 0.000 0.473 338 A N 0.833 123.710 122.820 0.096 0.000 1.908 338 A HA -0.192 4.127 4.320 -0.001 0.000 0.218 338 A C 2.568 180.207 177.584 0.092 0.000 1.181 338 A CA 1.833 53.920 52.037 0.084 0.000 0.627 338 A CB -0.315 18.738 19.000 0.088 0.000 0.818 338 A HN 0.409 nan 8.150 nan 0.000 0.445 339 A N -0.636 122.253 122.820 0.115 0.000 1.933 339 A HA -0.064 4.255 4.320 -0.001 0.000 0.218 339 A C 2.437 180.090 177.584 0.116 0.000 1.175 339 A CA 2.079 54.184 52.037 0.115 0.000 0.628 339 A CB -0.782 18.289 19.000 0.119 0.000 0.814 339 A HN 0.459 nan 8.150 nan 0.000 0.444 340 S N -0.532 115.235 115.700 0.113 0.000 2.368 340 S HA -0.111 4.359 4.470 -0.001 0.000 0.224 340 S C 2.056 176.691 174.600 0.059 0.000 1.029 340 S CA 1.248 59.503 58.200 0.091 0.000 0.988 340 S CB -0.264 62.992 63.200 0.093 0.000 0.838 340 S HN 0.615 nan 8.310 nan 0.000 0.462 341 R N 0.775 121.305 120.500 0.050 0.000 2.092 341 R HA 0.053 4.393 4.340 -0.001 0.000 0.231 341 R C 2.499 178.824 176.300 0.040 0.000 1.119 341 R CA 1.011 57.129 56.100 0.030 0.000 0.970 341 R CB -0.204 30.109 30.300 0.022 0.000 0.864 341 R HN 0.125 nan 8.270 nan 0.000 0.440 342 R N 1.084 121.623 120.500 0.064 0.000 2.081 342 R HA -0.097 4.243 4.340 -0.001 0.000 0.235 342 R C 1.937 178.304 176.300 0.112 0.000 1.131 342 R CA 1.471 57.616 56.100 0.074 0.000 0.960 342 R CB -0.772 29.583 30.300 0.091 0.000 0.856 342 R HN 0.013 nan 8.270 nan 0.000 0.436 343 V N 0.900 120.912 119.914 0.162 0.000 2.255 343 V HA -0.234 3.886 4.120 -0.001 0.000 0.247 343 V C 2.297 178.490 176.094 0.166 0.000 1.051 343 V CA 1.846 64.301 62.300 0.258 0.000 1.018 343 V CB -0.717 31.228 31.823 0.203 0.000 0.641 343 V HN 0.341 nan 8.190 nan 0.000 0.445 344 L N 0.190 121.449 121.223 0.059 0.000 2.013 344 L HA -0.196 4.143 4.340 -0.001 0.000 0.212 344 L C 2.655 179.532 176.870 0.011 0.000 1.073 344 L CA 2.534 57.380 54.840 0.010 0.000 0.753 344 L CB -0.840 41.206 42.059 -0.021 0.000 0.890 344 L HN 0.359 nan 8.230 nan 0.000 0.432 345 S N -1.148 114.555 115.700 0.006 0.000 2.356 345 S HA -0.178 4.292 4.470 -0.001 0.000 0.223 345 S C 1.613 176.169 174.600 -0.075 0.000 1.032 345 S CA 1.666 59.849 58.200 -0.028 0.000 1.005 345 S CB -0.346 62.842 63.200 -0.021 0.000 0.867 345 S HN 0.614 nan 8.310 nan 0.000 0.449 346 D N -1.185 119.149 120.400 -0.111 0.000 2.333 346 D HA 0.140 4.779 4.640 -0.001 0.000 0.208 346 D C 0.455 176.448 176.300 -0.512 0.000 0.984 346 D CA 0.716 54.512 54.000 -0.339 0.000 0.873 346 D CB 0.162 40.676 40.800 -0.477 0.000 0.935 346 D HN 0.563 nan 8.370 nan 0.000 0.521 347 Y N -0.822 119.498 120.300 0.032 0.000 2.515 347 Y HA 0.343 4.893 4.550 -0.000 0.000 0.267 347 Y C 1.426 177.305 175.900 -0.035 0.000 1.058 347 Y CA 0.051 58.163 58.100 0.020 0.000 1.231 347 Y CB 0.629 38.991 38.460 -0.163 0.000 1.350 347 Y HN -0.066 nan 8.280 nan 0.000 0.554 348 G N 1.591 110.440 108.800 0.082 0.000 2.749 348 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.242 348 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.242 348 G C -0.540 174.355 174.900 -0.007 0.000 1.364 348 G CA -0.340 44.788 45.100 0.046 0.000 0.888 348 G HN 0.304 nan 8.290 nan 0.000 0.566 349 N N 0.042 118.724 118.700 -0.030 0.000 2.452 349 N HA 0.492 5.231 4.740 -0.001 0.000 0.266 349 N C 0.833 176.255 175.510 -0.146 0.000 1.175 349 N CA 0.401 53.358 53.050 -0.154 0.000 0.945 349 N CB 0.367 38.687 38.487 -0.278 0.000 1.063 349 N HN 0.467 nan 8.380 nan 0.000 0.472 350 M N 1.994 121.519 119.600 -0.125 0.000 2.959 350 M HA 0.198 4.678 4.480 -0.001 0.000 0.337 350 M C 0.685 176.964 176.300 -0.036 0.000 1.220 350 M CA -0.219 55.029 55.300 -0.087 0.000 0.893 350 M CB -0.015 32.480 32.600 -0.174 0.000 1.322 350 M HN 0.632 nan 8.290 nan 0.000 0.519 351 S N 1.070 116.733 115.700 -0.061 0.000 3.927 351 S HA -0.283 4.187 4.470 -0.001 0.000 0.618 351 S C 1.551 176.131 174.600 -0.034 0.000 2.201 351 S CA 1.869 60.027 58.200 -0.071 0.000 4.160 351 S CB -1.288 61.874 63.200 -0.063 0.000 0.266 351 S HN 0.783 nan 8.310 nan 0.000 0.760 352 G N 0.762 109.516 108.800 -0.076 0.000 2.462 352 G HA2 0.073 4.033 3.960 -0.001 0.000 0.220 352 G HA3 0.073 4.033 3.960 -0.001 0.000 0.220 352 G C 1.692 176.610 174.900 0.030 0.000 1.121 352 G CA 1.427 46.490 45.100 -0.062 0.000 0.758 352 G HN 1.359 nan 8.290 nan 0.000 0.559 353 A N 0.399 123.260 122.820 0.069 0.000 2.014 353 A HA 0.060 4.380 4.320 -0.001 0.000 0.218 353 A C 2.515 180.247 177.584 0.246 0.000 1.163 353 A CA 2.161 54.293 52.037 0.159 0.000 0.652 353 A CB -0.703 18.424 19.000 0.212 0.000 0.808 353 A HN 0.299 nan 8.150 nan 0.000 0.449 354 T N -0.541 114.111 114.554 0.164 0.000 2.665 354 T HA -0.184 4.166 4.350 -0.001 0.000 0.268 354 T C 1.776 176.595 174.700 0.199 0.000 1.035 354 T CA 1.612 63.788 62.100 0.127 0.000 1.151 354 T CB -0.684 68.233 68.868 0.082 0.000 0.862 354 T HN 0.222 nan 8.240 nan 0.000 0.438 355 V N 0.906 120.950 119.914 0.216 0.000 2.759 355 V HA -0.022 4.097 4.120 -0.001 0.000 0.256 355 V C 2.067 178.227 176.094 0.110 0.000 1.080 355 V CA 1.146 63.545 62.300 0.164 0.000 1.101 355 V CB -0.554 31.364 31.823 0.159 0.000 0.698 355 V HN 0.515 nan 8.190 nan 0.000 0.477 356 I N -1.225 119.411 120.570 0.111 0.000 2.406 356 I HA -0.125 4.045 4.170 -0.001 0.000 0.249 356 I C 2.152 178.270 176.117 0.001 0.000 1.122 356 I CA 1.313 62.629 61.300 0.027 0.000 1.431 356 I CB -0.409 37.584 38.000 -0.011 0.000 1.087 356 I HN 0.242 nan 8.210 nan 0.000 0.424 357 F N 1.252 121.157 119.950 -0.076 0.000 2.126 357 F HA -0.262 4.265 4.527 -0.001 0.000 0.299 357 F C 2.622 178.398 175.800 -0.040 0.000 1.096 357 F CA 1.603 59.536 58.000 -0.112 0.000 1.255 357 F CB -0.730 38.145 39.000 -0.208 0.000 0.997 357 F HN 0.013 nan 8.300 nan 0.000 0.479 358 A N -0.397 122.531 122.820 0.181 0.000 1.902 358 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 358 A C 2.095 179.718 177.584 0.066 0.000 1.181 358 A CA 1.526 53.639 52.037 0.127 0.000 0.623 358 A CB -1.050 18.024 19.000 0.123 0.000 0.818 358 A HN 0.341 nan 8.150 nan 0.000 0.443 359 L N 0.069 121.297 121.223 0.009 0.000 2.093 359 L HA -0.135 4.205 4.340 -0.001 0.000 0.208 359 L C 1.895 178.749 176.870 -0.028 0.000 1.085 359 L CA 2.596 57.384 54.840 -0.087 0.000 0.755 359 L CB -0.585 41.358 42.059 -0.193 0.000 0.904 359 L HN 0.451 nan 8.230 nan 0.000 0.435 360 D N -1.003 119.384 120.400 -0.021 0.000 2.117 360 D HA -0.228 4.412 4.640 -0.001 0.000 0.198 360 D C 2.087 178.392 176.300 0.008 0.000 0.982 360 D CA 1.053 55.040 54.000 -0.022 0.000 0.828 360 D CB 0.104 40.834 40.800 -0.116 0.000 0.967 360 D HN 0.384 nan 8.370 nan 0.000 0.464 361 E N -0.246 119.980 120.200 0.043 0.000 2.077 361 E HA -0.141 4.209 4.350 -0.001 0.000 0.193 361 E C 1.976 178.596 176.600 0.033 0.000 0.989 361 E CA 0.648 57.089 56.400 0.068 0.000 0.800 361 E CB -0.614 29.161 29.700 0.124 0.000 0.746 361 E HN 0.251 nan 8.360 nan 0.000 0.452 362 L N 1.338 122.578 121.223 0.030 0.000 2.012 362 L HA -0.139 4.200 4.340 -0.001 0.000 0.210 362 L C 2.575 179.401 176.870 -0.075 0.000 1.073 362 L CA 2.103 56.939 54.840 -0.006 0.000 0.748 362 L CB -0.797 41.264 42.059 0.004 0.000 0.891 362 L HN 0.205 nan 8.230 nan 0.000 0.431 363 R N 0.190 120.685 120.500 -0.009 0.000 2.096 363 R HA -0.161 4.179 4.340 -0.001 0.000 0.235 363 R C 2.130 178.343 176.300 -0.145 0.000 1.127 363 R CA 1.574 57.636 56.100 -0.063 0.000 0.968 363 R CB -0.286 30.042 30.300 0.047 0.000 0.861 363 R HN 0.483 nan 8.270 nan 0.000 0.440 364 R N 0.420 120.869 120.500 -0.084 0.000 2.236 364 R HA -0.083 4.257 4.340 -0.001 0.000 0.208 364 R C 1.886 178.130 176.300 -0.093 0.000 1.036 364 R CA 1.084 57.136 56.100 -0.080 0.000 1.001 364 R CB -0.537 29.746 30.300 -0.029 0.000 0.896 364 R HN 0.399 nan 8.270 nan 0.000 0.464 365 Q N 1.771 121.510 119.800 -0.102 0.000 2.167 365 Q HA -0.063 4.276 4.340 -0.001 0.000 0.202 365 Q C 0.606 176.474 176.000 -0.220 0.000 0.970 365 Q CA 0.917 56.670 55.803 -0.084 0.000 0.855 365 Q CB 0.285 29.002 28.738 -0.034 0.000 0.911 365 Q HN 0.395 nan 8.270 nan 0.000 0.438 375 W N 3.336 124.650 121.300 0.024 0.000 2.293 375 W HA 0.151 4.811 4.660 -0.000 0.000 0.342 375 W C -1.646 174.914 176.519 0.069 0.000 1.274 375 W CA -1.142 56.226 57.345 0.039 0.000 1.290 375 W CB -0.584 28.871 29.460 -0.008 0.000 1.176 375 W HN 0.357 nan 8.180 nan 0.000 0.570 376 P HA -0.060 nan 4.420 nan 0.000 0.265 376 P C 0.676 178.190 177.300 0.357 0.000 1.187 376 P CA 0.478 63.773 63.100 0.326 0.000 0.766 376 P CB 0.725 32.662 31.700 0.395 0.000 0.820 377 E N 1.047 121.393 120.200 0.243 0.000 2.140 377 E HA 0.011 4.360 4.350 -0.001 0.000 0.191 377 E C 0.278 177.042 176.600 0.273 0.000 0.973 377 E CA 0.241 56.742 56.400 0.167 0.000 0.829 377 E CB 0.106 29.868 29.700 0.104 0.000 0.781 377 E HN 0.189 nan 8.360 nan 0.000 0.466 378 L N -0.138 121.191 121.223 0.176 0.000 2.325 378 L HA 0.612 4.952 4.340 -0.001 0.000 0.278 378 L C -0.163 176.337 176.870 -0.616 0.000 1.023 378 L CA -0.069 54.744 54.840 -0.046 0.000 0.811 378 L CB 1.794 43.818 42.059 -0.057 0.000 1.249 378 L HN 0.003 nan 8.230 nan 0.000 0.431 379 G N 2.705 110.811 108.800 -1.156 0.000 2.649 379 G HA2 0.604 4.563 3.960 -0.001 0.000 0.290 379 G HA3 0.604 4.563 3.960 -0.001 0.000 0.290 379 G C -2.134 172.066 174.900 -1.168 0.000 1.426 379 G CA -0.552 43.385 45.100 -1.938 0.000 0.794 379 G HN 0.474 nan 8.290 nan 0.000 0.483 380 V N 1.014 120.267 119.914 -1.101 0.000 2.487 380 V HA 0.640 4.760 4.120 -0.001 0.000 0.298 380 V C -0.104 175.814 176.094 -0.292 0.000 1.028 380 V CA -0.558 61.355 62.300 -0.645 0.000 0.860 380 V CB 1.610 33.031 31.823 -0.671 0.000 0.991 380 V HN 0.821 nan 8.190 nan 0.000 0.427 381 M N 8.129 127.644 119.600 -0.141 0.000 2.114 381 M HA 0.762 5.242 4.480 -0.001 0.000 0.332 381 M C -0.857 175.472 176.300 0.048 0.000 1.014 381 M CA -0.341 54.949 55.300 -0.015 0.000 0.956 381 M CB 0.973 33.536 32.600 -0.061 0.000 1.551 381 M HN 0.865 nan 8.290 nan 0.000 0.427 382 M N 4.142 123.808 119.600 0.109 0.000 2.575 382 M HA 0.996 5.476 4.480 -0.001 0.000 0.284 382 M C -2.039 174.324 176.300 0.105 0.000 1.253 382 M CA -0.733 54.617 55.300 0.083 0.000 0.861 382 M CB 2.451 35.104 32.600 0.089 0.000 1.733 382 M HN 0.628 nan 8.290 nan 0.000 0.462 383 A N 1.710 124.535 122.820 0.009 0.000 2.488 383 A HA 0.805 5.124 4.320 -0.001 0.000 0.295 383 A C -2.009 175.540 177.584 -0.058 0.000 1.045 383 A CA -0.511 51.573 52.037 0.077 0.000 0.703 383 A CB 1.127 20.158 19.000 0.051 0.000 1.271 383 A HN 0.766 nan 8.150 nan 0.000 0.400 384 F N 1.320 121.321 119.950 0.084 0.000 2.399 384 F HA 0.706 5.232 4.527 -0.000 0.000 0.334 384 F C 1.122 176.983 175.800 0.102 0.000 1.097 384 F CA 0.783 58.830 58.000 0.078 0.000 1.076 384 F CB 2.398 41.435 39.000 0.062 0.000 1.162 384 F HN 0.845 nan 8.300 nan 0.000 0.495 385 G N 1.722 110.747 108.800 0.375 0.000 2.749 385 G HA2 0.572 4.532 3.960 -0.001 0.000 0.300 385 G HA3 0.572 4.532 3.960 -0.001 0.000 0.300 385 G C -3.265 171.845 174.900 0.351 0.000 1.352 385 G CA -1.676 43.655 45.100 0.386 0.000 0.789 385 G HN 0.224 nan 8.290 nan 0.000 0.509 386 P HA 0.340 nan 4.420 nan 0.000 0.266 386 P C 0.780 178.208 177.300 0.213 0.000 1.195 386 P CA 1.582 64.813 63.100 0.219 0.000 0.768 386 P CB 1.287 33.096 31.700 0.182 0.000 0.838 387 G N 1.572 110.436 108.800 0.107 0.000 4.241 387 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.193 387 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.193 387 G C -0.170 174.748 174.900 0.030 0.000 1.789 387 G CA -0.430 44.700 45.100 0.051 0.000 1.025 387 G HN 0.426 nan 8.290 nan 0.000 0.346 388 M N 2.505 122.125 119.600 0.032 0.000 2.233 388 M HA 0.503 4.983 4.480 -0.001 0.000 0.350 388 M C 0.581 176.897 176.300 0.026 0.000 1.176 388 M CA 0.328 55.670 55.300 0.070 0.000 1.150 388 M CB 1.368 34.032 32.600 0.108 0.000 1.530 388 M HN 0.501 nan 8.290 nan 0.000 0.459 389 T N 1.193 115.728 114.554 -0.032 0.000 2.885 389 T HA 0.720 5.069 4.350 -0.001 0.000 0.285 389 T C -0.772 173.752 174.700 -0.293 0.000 1.019 389 T CA -0.852 61.097 62.100 -0.251 0.000 1.010 389 T CB 1.266 69.767 68.868 -0.612 0.000 1.022 389 T HN 0.424 nan 8.240 nan 0.000 0.466 390 V N 2.707 122.366 119.914 -0.426 0.000 2.417 390 V HA 0.523 4.642 4.120 -0.001 0.000 0.291 390 V C -0.462 175.359 176.094 -0.455 0.000 1.024 390 V CA -0.874 61.031 62.300 -0.658 0.000 0.861 390 V CB 1.361 32.690 31.823 -0.824 0.000 0.985 390 V HN 0.998 nan 8.190 nan 0.000 0.436 391 D N 2.664 122.858 120.400 -0.343 0.000 2.192 391 D HA 0.803 5.443 4.640 -0.001 0.000 0.246 391 D C -0.243 175.982 176.300 -0.124 0.000 1.042 391 D CA 0.140 54.022 54.000 -0.198 0.000 0.847 391 D CB 1.893 42.652 40.800 -0.068 0.000 1.186 391 D HN 1.004 nan 8.370 nan 0.000 0.461 392 A N 2.445 125.234 122.820 -0.051 0.000 2.549 392 A HA 0.741 5.061 4.320 -0.001 0.000 0.297 392 A C -1.258 176.483 177.584 0.262 0.000 1.061 392 A CA -0.676 51.422 52.037 0.101 0.000 0.690 392 A CB 1.306 20.408 19.000 0.169 0.000 1.287 392 A HN 0.555 nan 8.150 nan 0.000 0.402 393 M N 1.543 121.265 119.600 0.204 0.000 2.395 393 M HA 0.435 4.915 4.480 -0.001 0.000 0.307 393 M C -1.210 175.001 176.300 -0.148 0.000 1.091 393 M CA -0.782 54.589 55.300 0.118 0.000 0.919 393 M CB 2.052 34.663 32.600 0.018 0.000 1.662 393 M HN 0.629 nan 8.290 nan 0.000 0.440 394 L N 4.450 125.435 121.223 -0.396 0.000 2.290 394 L HA 0.573 4.913 4.340 -0.001 0.000 0.284 394 L C -1.412 175.297 176.870 -0.267 0.000 1.078 394 L CA 0.139 54.616 54.840 -0.605 0.000 0.815 394 L CB 0.507 42.063 42.059 -0.840 0.000 1.162 394 L HN 0.588 nan 8.230 nan 0.000 0.435 395 L N 4.588 125.670 121.223 -0.236 0.000 2.346 395 L HA 0.440 4.779 4.340 -0.001 0.000 0.274 395 L C -1.108 175.857 176.870 0.159 0.000 1.007 395 L CA -0.948 53.900 54.840 0.013 0.000 0.818 395 L CB 1.773 43.890 42.059 0.098 0.000 1.284 395 L HN 0.581 nan 8.230 nan 0.000 0.424 396 H N 2.016 121.184 119.070 0.162 0.000 2.587 396 H HA 0.597 5.152 4.556 -0.001 0.000 0.325 396 H C -0.514 174.965 175.328 0.252 0.000 1.012 396 H CA -0.464 55.690 56.048 0.176 0.000 1.213 396 H CB 1.595 31.399 29.762 0.070 0.000 1.431 396 H HN 0.685 nan 8.280 nan 0.000 0.492 397 A N 4.859 127.667 122.820 -0.020 0.000 2.347 397 A HA 0.548 4.868 4.320 -0.001 0.000 0.287 397 A C -0.278 177.103 177.584 -0.338 0.000 1.199 397 A CA 0.109 52.052 52.037 -0.157 0.000 0.851 397 A CB -0.113 18.765 19.000 -0.204 0.000 1.118 397 A HN 0.807 nan 8.150 nan 0.000 0.525 398 T N 0.000 114.380 114.554 -0.291 0.000 3.816 398 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 398 T CA 0.000 61.979 62.100 -0.201 0.000 1.349 398 T CB 0.000 68.827 68.868 -0.069 0.000 0.612 398 T HN 0.000 nan 8.240 nan 0.000 0.658