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 1gtt_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKGTIFAVAL NHRSQLDAWQ EAFQQSPYKA PPKTAVWFIK PRNTVIGCGE DATA SEQUENCE PIPFPQGEKV LSGATVALIV GKTATKVREE DAAEYIAGYA LANDVSLPEE DATA SEQUENCE SFYRPAIKAK CRDGFCPIGE TVALSNVDNL TIYTEINGRP ADHWNTADLQ DATA SEQUENCE RNAAQLLSAL SEFATLNPGD AILLGTPQAR VEIQPGDRVR VLAEGFPPLE DATA SEQUENCE NPVVDEREVT TRKSFPTLPH PHGTLFALGL NYADHXXXXX XXXPEEPLVF DATA SEQUENCE LKAPNTLTGD NQTSVRPNNI EYMHYEAELV VVIGKQARNV SEADAMDYVA DATA SEQUENCE GYTVCNDYAI RDYLENYYRP NLRVKSRDGL TPMLSTIVPK EAIPDPHNLT DATA SEQUENCE LRTFVNGELR QQGTTADLIF SVPFLIAYLS EFMTLNPGDM IATGTPKGLS DATA SEQUENCE DVVPGDEVVV EVEGVGRLVN RIVSEETAK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.343 176.300 0.071 0.000 1.140 1 M CA 0.000 55.337 55.300 0.062 0.000 0.988 1 M CB 0.000 32.631 32.600 0.051 0.000 1.302 2 K N -0.291 120.143 120.400 0.056 0.000 2.479 2 K HA 0.355 4.675 4.320 0.001 0.000 0.175 2 K C 0.518 177.137 176.600 0.031 0.000 1.873 2 K CA 0.765 57.091 56.287 0.065 0.000 1.147 2 K CB 0.724 33.265 32.500 0.069 0.000 1.777 2 K HN 0.466 nan 8.250 nan 0.000 0.558 3 G N -0.132 108.677 108.800 0.015 0.000 2.537 3 G HA2 0.285 4.246 3.960 0.001 0.000 0.297 3 G HA3 0.285 4.246 3.960 0.001 0.000 0.297 3 G C -0.621 174.241 174.900 -0.064 0.000 1.310 3 G CA -0.348 44.747 45.100 -0.009 0.000 1.027 3 G HN 0.047 nan 8.290 nan 0.000 0.505 4 T N 1.067 115.555 114.554 -0.110 0.000 2.901 4 T HA 0.267 4.617 4.350 0.001 0.000 0.301 4 T C 0.199 174.740 174.700 -0.265 0.000 1.012 4 T CA 0.248 62.179 62.100 -0.283 0.000 1.135 4 T CB 0.527 69.110 68.868 -0.474 0.000 0.936 4 T HN 0.126 nan 8.240 nan 0.000 0.539 5 I N 4.521 124.911 120.570 -0.300 0.000 2.330 5 I HA 0.330 4.500 4.170 0.001 0.000 0.286 5 I C -0.176 175.771 176.117 -0.284 0.000 1.025 5 I CA -0.588 60.613 61.300 -0.166 0.000 1.197 5 I CB -0.021 37.936 38.000 -0.073 0.000 1.358 5 I HN 0.514 nan 8.210 nan 0.000 0.467 6 F N 4.129 124.030 119.950 -0.082 0.000 2.370 6 F HA 0.715 5.242 4.527 0.001 0.000 0.319 6 F C 0.732 176.453 175.800 -0.131 0.000 1.129 6 F CA -0.355 57.585 58.000 -0.101 0.000 1.109 6 F CB 1.284 40.204 39.000 -0.133 0.000 1.262 6 F HN 0.512 nan 8.300 nan 0.000 0.534 7 A N 0.766 123.567 122.820 -0.032 0.000 2.574 7 A HA 0.637 4.958 4.320 0.001 0.000 0.297 7 A C -1.870 175.650 177.584 -0.107 0.000 1.062 7 A CA -0.713 51.136 52.037 -0.314 0.000 0.686 7 A CB 1.514 19.825 19.000 -1.148 0.000 1.285 7 A HN 0.602 nan 8.150 nan 0.000 0.403 8 V N 1.506 121.444 119.914 0.039 0.000 2.435 8 V HA 0.762 4.883 4.120 0.001 0.000 0.290 8 V C 0.435 176.657 176.094 0.213 0.000 1.030 8 V CA 0.246 62.551 62.300 0.009 0.000 0.881 8 V CB 1.218 32.906 31.823 -0.225 0.000 0.983 8 V HN 1.756 nan 8.190 nan 0.000 0.445 9 A N 5.360 128.336 122.820 0.260 0.000 2.294 9 A HA 0.780 5.100 4.320 0.001 0.000 0.330 9 A C 0.404 177.875 177.584 -0.188 0.000 1.133 9 A CA -0.542 51.607 52.037 0.186 0.000 0.836 9 A CB 0.680 19.840 19.000 0.268 0.000 1.190 9 A HN 1.499 nan 8.150 nan 0.000 0.492 10 L N -0.302 120.730 121.223 -0.319 0.000 3.843 10 L HA -0.227 4.114 4.340 0.001 0.000 0.411 10 L C 0.914 177.623 176.870 -0.269 0.000 1.205 10 L CA 0.653 55.231 54.840 -0.436 0.000 0.945 10 L CB -1.546 40.108 42.059 -0.675 0.000 1.929 10 L HN 0.869 nan 8.230 nan 0.000 0.934 11 N N -0.691 117.910 118.700 -0.166 0.000 2.280 11 N HA -0.002 4.738 4.740 0.001 0.000 0.192 11 N C 0.352 175.820 175.510 -0.070 0.000 1.109 11 N CA 0.237 53.212 53.050 -0.124 0.000 0.855 11 N CB 0.317 38.755 38.487 -0.083 0.000 0.974 11 N HN 0.439 nan 8.380 nan 0.000 0.482 12 H N 0.410 119.385 119.070 -0.158 0.000 2.476 12 H HA 0.298 4.854 4.556 0.001 0.000 0.328 12 H C 0.650 175.911 175.328 -0.111 0.000 1.073 12 H CA -0.253 55.708 56.048 -0.146 0.000 1.229 12 H CB 1.107 30.709 29.762 -0.267 0.000 1.432 12 H HN -0.030 nan 8.280 nan 0.000 0.477 13 R N 1.578 121.964 120.500 -0.190 0.000 2.127 13 R HA -0.161 4.179 4.340 0.001 0.000 0.238 13 R C 2.304 178.636 176.300 0.054 0.000 1.134 13 R CA 1.752 57.810 56.100 -0.070 0.000 0.975 13 R CB 0.179 30.410 30.300 -0.113 0.000 0.865 13 R HN 0.661 nan 8.270 nan 0.000 0.447 14 S N -0.039 115.804 115.700 0.239 0.000 2.383 14 S HA -0.280 4.190 4.470 0.001 0.000 0.229 14 S C 2.001 176.651 174.600 0.083 0.000 1.030 14 S CA 1.386 59.684 58.200 0.163 0.000 1.002 14 S CB -0.181 63.115 63.200 0.160 0.000 0.829 14 S HN 0.411 nan 8.310 nan 0.000 0.467 15 Q N 0.533 120.385 119.800 0.087 0.000 2.137 15 Q HA 0.177 4.517 4.340 0.001 0.000 0.198 15 Q C 2.186 178.220 176.000 0.055 0.000 0.960 15 Q CA 0.828 56.678 55.803 0.078 0.000 0.847 15 Q CB -0.210 28.520 28.738 -0.013 0.000 0.915 15 Q HN 0.623 nan 8.270 nan 0.000 0.448 16 L N 0.708 121.927 121.223 -0.006 0.000 2.083 16 L HA -0.211 4.130 4.340 0.001 0.000 0.209 16 L C 1.812 178.664 176.870 -0.031 0.000 1.083 16 L CA 1.062 55.889 54.840 -0.021 0.000 0.752 16 L CB -0.360 41.679 42.059 -0.033 0.000 0.899 16 L HN 0.249 nan 8.230 nan 0.000 0.433 17 D N 0.211 120.600 120.400 -0.017 0.000 2.097 17 D HA -0.131 4.509 4.640 0.001 0.000 0.197 17 D C 2.265 178.524 176.300 -0.069 0.000 0.984 17 D CA 1.522 55.501 54.000 -0.034 0.000 0.826 17 D CB -0.109 40.681 40.800 -0.017 0.000 0.973 17 D HN 0.264 nan 8.370 nan 0.000 0.460 18 A N -0.121 122.667 122.820 -0.052 0.000 1.940 18 A HA -0.167 4.154 4.320 0.001 0.000 0.219 18 A C 1.675 179.081 177.584 -0.296 0.000 1.176 18 A CA 1.099 53.058 52.037 -0.130 0.000 0.631 18 A CB -0.958 17.998 19.000 -0.072 0.000 0.814 18 A HN 0.308 nan 8.150 nan 0.000 0.446 19 W N -0.441 120.595 121.300 -0.441 0.000 3.278 19 W HA 0.233 4.894 4.660 0.000 0.000 0.308 19 W C 2.121 178.116 176.519 -0.873 0.000 1.253 19 W CA 0.138 56.980 57.345 -0.838 0.000 1.759 19 W CB 0.004 28.561 29.460 -1.505 0.000 1.093 19 W HN 0.431 nan 8.180 nan 0.000 0.648 20 Q N 0.869 120.493 119.800 -0.293 0.000 2.096 20 Q HA -0.313 4.027 4.340 0.001 0.000 0.208 20 Q C 2.064 178.028 176.000 -0.059 0.000 0.993 20 Q CA 2.240 57.968 55.803 -0.125 0.000 0.862 20 Q CB -0.150 28.548 28.738 -0.068 0.000 0.915 20 Q HN 0.433 nan 8.270 nan 0.000 0.416 21 E N -0.823 119.320 120.200 -0.096 0.000 2.106 21 E HA -0.169 4.181 4.350 0.001 0.000 0.192 21 E C 1.734 178.337 176.600 0.005 0.000 0.984 21 E CA 0.860 57.234 56.400 -0.043 0.000 0.806 21 E CB -0.057 29.598 29.700 -0.075 0.000 0.750 21 E HN 0.397 nan 8.360 nan 0.000 0.458 22 A N 0.423 123.213 122.820 -0.050 0.000 1.929 22 A HA -0.092 4.228 4.320 0.001 0.000 0.216 22 A C 1.666 179.495 177.584 0.408 0.000 1.176 22 A CA 0.729 52.839 52.037 0.121 0.000 0.628 22 A CB -0.538 18.483 19.000 0.035 0.000 0.816 22 A HN 0.322 nan 8.150 nan 0.000 0.444 23 F N 0.202 120.247 119.950 0.159 0.000 2.604 23 F HA -0.013 4.515 4.527 0.001 0.000 0.298 23 F C 2.134 178.048 175.800 0.190 0.000 1.131 23 F CA 0.545 58.645 58.000 0.166 0.000 1.457 23 F CB -0.444 38.619 39.000 0.105 0.000 1.095 23 F HN 0.276 nan 8.300 nan 0.000 0.574 24 Q N 0.020 120.003 119.800 0.304 0.000 2.424 24 Q HA 0.057 4.398 4.340 0.001 0.000 0.204 24 Q C 0.299 176.400 176.000 0.167 0.000 0.933 24 Q CA 0.454 56.373 55.803 0.193 0.000 0.929 24 Q CB 0.193 29.003 28.738 0.120 0.000 1.037 24 Q HN 0.474 nan 8.270 nan 0.000 0.511 25 Q N -0.451 119.477 119.800 0.214 0.000 2.416 25 Q HA 0.401 4.741 4.340 0.001 0.000 0.279 25 Q C -0.552 175.520 176.000 0.120 0.000 1.101 25 Q CA -0.599 55.288 55.803 0.141 0.000 0.830 25 Q CB 1.759 30.568 28.738 0.118 0.000 1.402 25 Q HN -0.082 nan 8.270 nan 0.000 0.445 26 S N 2.814 118.520 115.700 0.009 0.000 2.558 26 S HA 0.001 4.472 4.470 0.001 0.000 0.291 26 S C -1.569 172.917 174.600 -0.190 0.000 1.306 26 S CA -0.516 57.614 58.200 -0.117 0.000 1.056 26 S CB 0.140 63.268 63.200 -0.120 0.000 0.836 26 S HN 0.542 nan 8.310 nan 0.000 0.504 27 P HA 0.101 nan 4.420 nan 0.000 0.255 27 P C 0.161 177.067 177.300 -0.657 0.000 1.248 27 P CA 0.422 63.092 63.100 -0.716 0.000 0.807 27 P CB 0.059 30.988 31.700 -1.286 0.000 1.150 28 Y N 1.282 121.471 120.300 -0.185 0.000 2.286 28 Y HA -0.061 4.490 4.550 0.001 0.000 0.293 28 Y C 2.031 177.887 175.900 -0.073 0.000 1.124 28 Y CA 0.579 58.559 58.100 -0.200 0.000 1.178 28 Y CB -0.187 38.220 38.460 -0.089 0.000 1.010 28 Y HN -0.203 nan 8.280 nan 0.000 0.536 29 K N -1.013 119.464 120.400 0.128 0.000 8.070 29 K HA -0.272 4.048 4.320 0.001 0.000 0.487 29 K C 0.340 177.026 176.600 0.143 0.000 0.363 29 K CA 1.430 57.775 56.287 0.097 0.000 1.957 29 K CB -1.809 30.715 32.500 0.041 0.000 0.676 29 K HN 0.303 nan 8.250 nan 0.000 0.908 30 A N 1.609 124.533 122.820 0.173 0.000 2.498 30 A HA 0.673 4.993 4.320 0.001 0.000 0.298 30 A C -2.760 174.961 177.584 0.228 0.000 1.075 30 A CA -1.314 50.826 52.037 0.171 0.000 0.714 30 A CB 1.873 20.942 19.000 0.115 0.000 1.299 30 A HN -0.051 nan 8.150 nan 0.000 0.407 31 P HA 0.301 nan 4.420 nan 0.000 0.270 31 P C -2.588 174.614 177.300 -0.164 0.000 1.223 31 P CA -0.843 62.284 63.100 0.045 0.000 0.785 31 P CB -0.575 31.170 31.700 0.075 0.000 0.923 32 P HA -0.036 nan 4.420 nan 0.000 0.264 32 P C 0.743 177.860 177.300 -0.306 0.000 1.193 32 P CA 0.344 63.011 63.100 -0.722 0.000 0.763 32 P CB 0.313 31.403 31.700 -1.017 0.000 0.810 33 K N 1.464 121.760 120.400 -0.174 0.000 2.099 33 K HA 0.049 4.369 4.320 0.001 0.000 0.203 33 K C 0.859 177.378 176.600 -0.135 0.000 1.047 33 K CA 0.933 57.152 56.287 -0.113 0.000 0.963 33 K CB -0.786 31.684 32.500 -0.051 0.000 0.759 33 K HN 0.508 nan 8.250 nan 0.000 0.451 34 T N -0.777 113.694 114.554 -0.139 0.000 2.910 34 T HA 0.645 4.996 4.350 0.001 0.000 0.279 34 T C 0.156 174.724 174.700 -0.219 0.000 0.989 34 T CA -0.806 61.217 62.100 -0.129 0.000 0.968 34 T CB 1.351 70.175 68.868 -0.074 0.000 1.135 34 T HN 0.288 nan 8.240 nan 0.000 0.562 35 A N 0.507 123.191 122.820 -0.226 0.000 2.462 35 A HA 0.540 4.860 4.320 0.001 0.000 0.243 35 A C 0.055 177.267 177.584 -0.620 0.000 1.076 35 A CA -0.642 51.087 52.037 -0.514 0.000 0.773 35 A CB -0.192 18.356 19.000 -0.754 0.000 1.010 35 A HN 0.786 nan 8.150 nan 0.000 0.493 36 V N 2.785 122.319 119.914 -0.633 0.000 2.333 36 V HA 0.251 4.372 4.120 0.001 0.000 0.274 36 V C -0.577 175.379 176.094 -0.230 0.000 1.028 36 V CA -0.152 61.946 62.300 -0.337 0.000 0.851 36 V CB -0.161 31.467 31.823 -0.324 0.000 1.000 36 V HN 0.863 nan 8.190 nan 0.000 0.456 37 W N 5.445 126.932 121.300 0.311 0.000 2.516 37 W HA 0.777 5.437 4.660 0.001 0.000 0.343 37 W C -0.223 176.635 176.519 0.566 0.000 1.094 37 W CA -0.708 56.855 57.345 0.362 0.000 1.250 37 W CB 1.529 31.166 29.460 0.296 0.000 1.308 37 W HN 0.583 nan 8.180 nan 0.000 0.588 38 F N -0.227 120.059 119.950 0.559 0.000 2.692 38 F HA 0.854 5.381 4.527 0.001 0.000 0.320 38 F C -1.482 174.487 175.800 0.281 0.000 1.123 38 F CA -2.258 55.945 58.000 0.339 0.000 0.961 38 F CB 0.871 39.976 39.000 0.174 0.000 1.383 38 F HN 0.148 nan 8.300 nan 0.000 0.483 39 I N 1.918 122.645 120.570 0.262 0.000 2.545 39 I HA 0.366 4.537 4.170 0.001 0.000 0.292 39 I C -0.932 175.235 176.117 0.083 0.000 1.040 39 I CA -1.060 60.245 61.300 0.008 0.000 1.068 39 I CB 2.240 40.186 38.000 -0.090 0.000 1.251 39 I HN 0.406 nan 8.210 nan 0.000 0.424 40 K N 6.798 127.194 120.400 -0.007 0.000 2.299 40 K HA 0.407 4.728 4.320 0.001 0.000 0.268 40 K C -2.519 174.058 176.600 -0.038 0.000 1.075 40 K CA -1.679 54.644 56.287 0.060 0.000 0.936 40 K CB 1.157 33.717 32.500 0.101 0.000 1.228 40 K HN 0.251 nan 8.250 nan 0.000 0.454 41 P HA 0.130 nan 4.420 nan 0.000 0.274 41 P C 0.505 177.745 177.300 -0.100 0.000 1.256 41 P CA -0.403 62.610 63.100 -0.145 0.000 0.795 41 P CB 0.746 32.330 31.700 -0.193 0.000 1.038 42 R N 1.524 121.913 120.500 -0.184 0.000 2.200 42 R HA -0.157 4.183 4.340 0.001 0.000 0.234 42 R C 1.354 177.709 176.300 0.090 0.000 1.127 42 R CA 1.727 57.733 56.100 -0.155 0.000 0.989 42 R CB -1.143 28.832 30.300 -0.542 0.000 0.869 42 R HN 0.428 nan 8.270 nan 0.000 0.459 43 N N 1.529 120.280 118.700 0.085 0.000 2.453 43 N HA -0.146 4.594 4.740 0.001 0.000 0.183 43 N C 1.423 177.025 175.510 0.152 0.000 1.041 43 N CA 1.696 54.861 53.050 0.193 0.000 0.900 43 N CB -0.349 38.206 38.487 0.112 0.000 0.961 43 N HN 0.494 nan 8.380 nan 0.000 0.443 44 T N -1.935 112.691 114.554 0.121 0.000 3.014 44 T HA 0.124 4.474 4.350 0.001 0.000 0.263 44 T C 0.908 175.701 174.700 0.155 0.000 1.078 44 T CA -0.088 62.099 62.100 0.146 0.000 1.135 44 T CB -0.434 68.529 68.868 0.158 0.000 0.895 44 T HN -0.057 nan 8.240 nan 0.000 0.480 45 V N 4.200 124.201 119.914 0.144 0.000 2.427 45 V HA 0.479 4.599 4.120 0.001 0.000 0.268 45 V C 0.276 176.448 176.094 0.131 0.000 1.046 45 V CA -0.827 61.551 62.300 0.130 0.000 0.970 45 V CB -0.081 31.810 31.823 0.113 0.000 1.001 45 V HN 0.589 nan 8.190 nan 0.000 0.476 46 I N 2.090 122.727 120.570 0.112 0.000 3.042 46 I HA 0.994 5.165 4.170 0.001 0.000 0.310 46 I C 0.417 176.582 176.117 0.080 0.000 1.117 46 I CA -0.809 60.546 61.300 0.091 0.000 1.003 46 I CB 2.233 40.287 38.000 0.090 0.000 1.228 46 I HN 0.544 nan 8.210 nan 0.000 0.443 47 G N 0.806 109.646 108.800 0.067 0.000 2.537 47 G HA2 0.390 4.350 3.960 0.001 0.000 0.297 47 G HA3 0.390 4.350 3.960 0.001 0.000 0.297 47 G C -0.506 174.429 174.900 0.058 0.000 1.310 47 G CA -0.667 44.470 45.100 0.062 0.000 1.027 47 G HN 0.983 nan 8.290 nan 0.000 0.505 48 C N -0.456 118.878 119.300 0.056 0.000 2.611 48 C HA 0.450 4.910 4.460 0.001 0.000 0.416 48 C C 1.957 176.974 174.990 0.045 0.000 1.366 48 C CA 1.359 60.408 59.018 0.052 0.000 1.761 48 C CB -0.822 26.950 27.740 0.052 0.000 2.619 48 C HN 2.186 nan 8.230 nan 0.000 0.606 49 G N 4.065 112.891 108.800 0.043 0.000 2.199 49 G HA2 -0.196 3.764 3.960 0.001 0.000 0.254 49 G HA3 -0.196 3.764 3.960 0.001 0.000 0.254 49 G C -0.031 174.893 174.900 0.039 0.000 0.982 49 G CA 0.537 45.660 45.100 0.038 0.000 0.632 49 G HN 0.901 nan 8.290 nan 0.000 0.529 50 E N 1.832 122.059 120.200 0.045 0.000 2.313 50 E HA 0.426 4.777 4.350 0.001 0.000 0.272 50 E C -2.187 174.448 176.600 0.058 0.000 1.038 50 E CA -1.761 54.668 56.400 0.047 0.000 0.863 50 E CB 1.394 31.124 29.700 0.049 0.000 1.060 50 E HN 0.209 nan 8.360 nan 0.000 0.402 51 P HA 0.153 nan 4.420 nan 0.000 0.277 51 P C -0.551 176.810 177.300 0.103 0.000 1.240 51 P CA -0.017 63.129 63.100 0.075 0.000 0.798 51 P CB 0.679 32.422 31.700 0.071 0.000 0.979 52 I N 3.656 124.298 120.570 0.120 0.000 2.297 52 I HA 0.233 4.403 4.170 0.001 0.000 0.291 52 I C -2.143 174.102 176.117 0.214 0.000 1.033 52 I CA -2.515 58.886 61.300 0.167 0.000 1.253 52 I CB 1.180 39.248 38.000 0.114 0.000 1.396 52 I HN 0.081 nan 8.210 nan 0.000 0.476 53 P HA 0.067 nan 4.420 nan 0.000 0.276 53 P C -0.806 176.673 177.300 0.298 0.000 1.243 53 P CA -0.082 63.149 63.100 0.219 0.000 0.768 53 P CB 0.326 32.111 31.700 0.140 0.000 0.856 54 F N 6.573 126.606 119.950 0.139 0.000 2.405 54 F HA 0.430 4.958 4.527 0.001 0.000 0.355 54 F C -2.184 173.683 175.800 0.112 0.000 1.121 54 F CA -2.858 55.230 58.000 0.147 0.000 1.112 54 F CB 1.146 40.201 39.000 0.091 0.000 1.126 54 F HN 0.201 nan 8.300 nan 0.000 0.481 55 P HA 0.087 nan 4.420 nan 0.000 0.282 55 P C -1.446 175.815 177.300 -0.066 0.000 1.274 55 P CA -0.379 62.644 63.100 -0.128 0.000 0.770 55 P CB 0.866 32.464 31.700 -0.171 0.000 0.867 56 Q N 2.150 122.018 119.800 0.113 0.000 2.361 56 Q HA 0.314 4.655 4.340 0.001 0.000 0.276 56 Q C 0.868 176.934 176.000 0.109 0.000 1.022 56 Q CA 0.207 56.125 55.803 0.191 0.000 0.898 56 Q CB -0.225 28.595 28.738 0.136 0.000 1.246 56 Q HN 0.749 nan 8.270 nan 0.000 0.410 57 G N 1.096 109.989 108.800 0.154 0.000 2.268 57 G HA2 -0.270 3.690 3.960 0.001 0.000 0.240 57 G HA3 -0.270 3.690 3.960 0.001 0.000 0.240 57 G C 0.016 174.960 174.900 0.072 0.000 1.010 57 G CA 0.330 45.485 45.100 0.092 0.000 0.618 57 G HN 0.645 nan 8.290 nan 0.000 0.516 58 E N 0.554 120.771 120.200 0.028 0.000 2.280 58 E HA 0.658 5.008 4.350 0.001 0.000 0.264 58 E C 0.183 176.795 176.600 0.020 0.000 1.064 58 E CA -0.716 55.661 56.400 -0.039 0.000 0.900 58 E CB 0.894 30.495 29.700 -0.164 0.000 1.123 58 E HN 0.364 nan 8.360 nan 0.000 0.418 59 K N 1.210 121.623 120.400 0.022 0.000 2.213 59 K HA 0.453 4.774 4.320 0.001 0.000 0.270 59 K C -1.322 175.287 176.600 0.015 0.000 1.002 59 K CA -0.577 55.755 56.287 0.074 0.000 0.868 59 K CB 0.802 33.339 32.500 0.062 0.000 1.093 59 K HN 0.214 nan 8.250 nan 0.000 0.454 60 V N 5.896 125.843 119.914 0.054 0.000 2.555 60 V HA 0.455 4.575 4.120 0.001 0.000 0.302 60 V C -0.495 175.613 176.094 0.023 0.000 1.038 60 V CA -0.944 61.349 62.300 -0.011 0.000 0.887 60 V CB 1.562 33.331 31.823 -0.089 0.000 0.991 60 V HN 0.691 nan 8.190 nan 0.000 0.434 61 L N 2.753 123.950 121.223 -0.042 0.000 2.362 61 L HA 0.550 4.890 4.340 0.001 0.000 0.275 61 L C 0.381 177.213 176.870 -0.064 0.000 0.998 61 L CA -0.353 54.472 54.840 -0.024 0.000 0.820 61 L CB 2.001 44.054 42.059 -0.011 0.000 1.270 61 L HN 0.675 nan 8.230 nan 0.000 0.415 62 S N 1.250 116.934 115.700 -0.027 0.000 2.584 62 S HA 0.473 4.944 4.470 0.001 0.000 0.270 62 S C 0.496 175.102 174.600 0.010 0.000 1.346 62 S CA 0.212 58.402 58.200 -0.016 0.000 1.018 62 S CB 0.765 63.977 63.200 0.020 0.000 0.899 62 S HN 0.850 nan 8.310 nan 0.000 0.542 63 G N 1.751 110.574 108.800 0.039 0.000 4.632 63 G HA2 0.566 4.527 3.960 0.001 0.000 0.244 63 G HA3 0.566 4.527 3.960 0.001 0.000 0.244 63 G C -0.171 174.819 174.900 0.150 0.000 1.070 63 G CA 0.052 45.200 45.100 0.080 0.000 0.791 63 G HN 1.006 nan 8.290 nan 0.000 0.544 64 A N 0.749 123.680 122.820 0.184 0.000 2.567 64 A HA 0.597 4.917 4.320 0.001 0.000 0.240 64 A C 0.676 178.491 177.584 0.386 0.000 1.053 64 A CA 1.303 53.475 52.037 0.224 0.000 0.755 64 A CB 0.508 19.626 19.000 0.196 0.000 0.978 64 A HN 0.904 nan 8.150 nan 0.000 0.507 65 T N 0.516 115.220 114.554 0.249 0.000 2.661 65 T HA 0.504 4.854 4.350 0.001 0.000 0.305 65 T C -1.211 173.529 174.700 0.066 0.000 1.441 65 T CA 0.286 62.575 62.100 0.315 0.000 0.999 65 T CB 0.949 70.044 68.868 0.378 0.000 1.650 65 T HN 1.647 nan 8.240 nan 0.000 0.489 66 V N 0.719 120.676 119.914 0.072 0.000 2.914 66 V HA 0.968 5.089 4.120 0.001 0.000 0.314 66 V C -0.931 175.248 176.094 0.141 0.000 1.084 66 V CA -0.155 62.146 62.300 0.002 0.000 0.963 66 V CB 1.553 33.299 31.823 -0.128 0.000 1.025 66 V HN 1.297 nan 8.190 nan 0.000 0.432 67 A N 5.077 128.002 122.820 0.175 0.000 2.355 67 A HA 0.812 5.132 4.320 0.001 0.000 0.317 67 A C -0.854 176.875 177.584 0.242 0.000 1.094 67 A CA -0.687 51.467 52.037 0.195 0.000 0.764 67 A CB 1.386 20.468 19.000 0.137 0.000 1.230 67 A HN 1.668 nan 8.150 nan 0.000 0.448 68 L N 1.383 122.716 121.223 0.183 0.000 2.380 68 L HA 0.652 4.993 4.340 0.001 0.000 0.273 68 L C -0.696 176.133 176.870 -0.069 0.000 1.138 68 L CA 0.034 54.841 54.840 -0.056 0.000 0.832 68 L CB 0.062 42.102 42.059 -0.031 0.000 1.124 68 L HN 0.401 nan 8.230 nan 0.000 0.454 69 I N 4.641 125.112 120.570 -0.165 0.000 2.362 69 I HA 0.321 4.491 4.170 0.001 0.000 0.289 69 I C 0.032 176.096 176.117 -0.087 0.000 0.994 69 I CA -0.686 60.570 61.300 -0.074 0.000 1.158 69 I CB 1.415 39.389 38.000 -0.043 0.000 1.315 69 I HN 0.434 nan 8.210 nan 0.000 0.451 70 V N 5.997 125.890 119.914 -0.035 0.000 2.572 70 V HA 0.295 4.415 4.120 0.001 0.000 0.291 70 V C 1.330 177.420 176.094 -0.007 0.000 1.039 70 V CA 0.281 62.572 62.300 -0.014 0.000 1.055 70 V CB 1.152 32.976 31.823 0.003 0.000 0.969 70 V HN 1.024 nan 8.190 nan 0.000 0.482 71 G N 4.435 113.233 108.800 -0.004 0.000 2.850 71 G HA2 0.225 4.185 3.960 0.001 0.000 0.211 71 G HA3 0.225 4.185 3.960 0.001 0.000 0.211 71 G C 0.313 175.204 174.900 -0.015 0.000 1.124 71 G CA 0.097 45.186 45.100 -0.019 0.000 0.769 71 G HN 0.716 nan 8.290 nan 0.000 0.535 72 K N -0.988 119.422 120.400 0.017 0.000 2.579 72 K HA 0.445 4.765 4.320 0.001 0.000 0.284 72 K C -1.161 175.509 176.600 0.116 0.000 0.990 72 K CA -0.777 55.525 56.287 0.024 0.000 0.880 72 K CB 0.454 32.920 32.500 -0.056 0.000 1.488 72 K HN -0.156 nan 8.250 nan 0.000 0.425 73 T N 1.131 115.737 114.554 0.088 0.000 2.800 73 T HA 0.188 4.539 4.350 0.001 0.000 0.283 73 T C -0.125 174.661 174.700 0.143 0.000 0.999 73 T CA 0.452 62.601 62.100 0.081 0.000 1.176 73 T CB 0.024 68.921 68.868 0.048 0.000 0.973 73 T HN 0.581 nan 8.240 nan 0.000 0.519 74 A N 4.065 126.897 122.820 0.020 0.000 2.328 74 A HA 0.592 4.912 4.320 0.001 0.000 0.318 74 A C 0.281 177.740 177.584 -0.209 0.000 1.347 74 A CA -0.696 51.256 52.037 -0.142 0.000 0.842 74 A CB 0.712 19.606 19.000 -0.176 0.000 1.148 74 A HN 0.692 nan 8.150 nan 0.000 0.499 75 T N 2.592 117.020 114.554 -0.209 0.000 2.847 75 T HA 0.411 4.762 4.350 0.001 0.000 0.291 75 T C -0.268 174.310 174.700 -0.202 0.000 0.998 75 T CA -0.589 61.402 62.100 -0.182 0.000 0.967 75 T CB 0.759 69.568 68.868 -0.098 0.000 0.954 75 T HN 0.677 nan 8.240 nan 0.000 0.441 76 K N 1.186 121.459 120.400 -0.212 0.000 3.150 76 K HA -0.122 4.199 4.320 0.001 0.000 0.267 76 K C -0.162 176.310 176.600 -0.213 0.000 1.028 76 K CA -0.083 56.100 56.287 -0.174 0.000 0.753 76 K CB -1.660 30.779 32.500 -0.102 0.000 1.288 76 K HN 0.440 nan 8.250 nan 0.000 0.473 77 V N 1.574 121.295 119.914 -0.322 0.000 2.529 77 V HA -0.029 4.091 4.120 0.001 0.000 0.292 77 V C 1.229 177.194 176.094 -0.216 0.000 1.028 77 V CA 0.289 62.335 62.300 -0.422 0.000 1.074 77 V CB 0.506 31.986 31.823 -0.571 0.000 0.958 77 V HN 0.251 nan 8.190 nan 0.000 0.481 78 R N 3.910 124.327 120.500 -0.139 0.000 2.438 78 R HA 0.144 4.485 4.340 0.001 0.000 0.287 78 R C 1.173 177.452 176.300 -0.035 0.000 1.077 78 R CA -0.312 55.753 56.100 -0.058 0.000 1.034 78 R CB 0.878 31.168 30.300 -0.017 0.000 0.993 78 R HN 0.734 nan 8.270 nan 0.000 0.459 79 E N 2.327 122.515 120.200 -0.021 0.000 2.065 79 E HA -0.290 4.060 4.350 0.001 0.000 0.201 79 E C 1.651 178.263 176.600 0.020 0.000 1.016 79 E CA 1.864 58.264 56.400 -0.002 0.000 0.818 79 E CB 0.069 29.771 29.700 0.004 0.000 0.749 79 E HN 0.656 nan 8.360 nan 0.000 0.453 80 E N 0.870 121.084 120.200 0.023 0.000 2.333 80 E HA -0.213 4.138 4.350 0.001 0.000 0.198 80 E C 0.513 177.145 176.600 0.052 0.000 1.007 80 E CA 1.108 57.528 56.400 0.034 0.000 0.845 80 E CB -0.025 29.691 29.700 0.026 0.000 0.766 80 E HN 0.247 nan 8.360 nan 0.000 0.507 81 D N 0.501 120.943 120.400 0.069 0.000 2.402 81 D HA 0.258 4.898 4.640 0.001 0.000 0.216 81 D C 1.377 177.791 176.300 0.190 0.000 1.128 81 D CA 0.548 54.621 54.000 0.123 0.000 0.833 81 D CB 0.662 41.558 40.800 0.161 0.000 0.971 81 D HN 0.254 nan 8.370 nan 0.000 0.503 82 A N 1.182 124.078 122.820 0.127 0.000 1.940 82 A HA -0.124 4.197 4.320 0.001 0.000 0.219 82 A C 2.304 179.991 177.584 0.173 0.000 1.176 82 A CA 1.866 53.986 52.037 0.138 0.000 0.631 82 A CB -0.389 18.655 19.000 0.074 0.000 0.814 82 A HN 0.251 nan 8.150 nan 0.000 0.446 83 A N 0.496 123.391 122.820 0.125 0.000 1.972 83 A HA -0.171 4.149 4.320 0.001 0.000 0.219 83 A C 1.952 179.572 177.584 0.059 0.000 1.169 83 A CA 1.721 53.815 52.037 0.095 0.000 0.635 83 A CB -0.571 18.479 19.000 0.083 0.000 0.810 83 A HN 0.826 nan 8.150 nan 0.000 0.446 84 E N -1.813 118.420 120.200 0.054 0.000 2.347 84 E HA -0.159 4.192 4.350 0.001 0.000 0.196 84 E C 1.014 177.483 176.600 -0.218 0.000 1.008 84 E CA 0.916 57.265 56.400 -0.086 0.000 0.852 84 E CB -0.350 29.270 29.700 -0.134 0.000 0.783 84 E HN 0.720 nan 8.360 nan 0.000 0.505 85 Y N 0.564 120.844 120.300 -0.033 0.000 2.457 85 Y HA 0.343 4.893 4.550 0.001 0.000 0.263 85 Y C 0.521 176.380 175.900 -0.067 0.000 1.164 85 Y CA -0.155 57.916 58.100 -0.048 0.000 1.274 85 Y CB 0.591 39.020 38.460 -0.053 0.000 1.097 85 Y HN -0.027 nan 8.280 nan 0.000 0.523 86 I N 0.223 120.812 120.570 0.032 0.000 2.307 86 I HA 0.241 4.411 4.170 0.001 0.000 0.289 86 I C 0.998 177.055 176.117 -0.100 0.000 1.021 86 I CA -0.470 60.784 61.300 -0.076 0.000 1.224 86 I CB 1.600 39.517 38.000 -0.138 0.000 1.376 86 I HN 0.067 nan 8.210 nan 0.000 0.470 87 A N 4.996 127.756 122.820 -0.100 0.000 2.015 87 A HA 0.346 4.666 4.320 0.001 0.000 0.219 87 A C 1.170 178.702 177.584 -0.086 0.000 1.163 87 A CA 1.410 53.402 52.037 -0.075 0.000 0.646 87 A CB -0.250 18.721 19.000 -0.048 0.000 0.806 87 A HN 0.930 nan 8.150 nan 0.000 0.448 88 G N -3.257 105.428 108.800 -0.192 0.000 2.351 88 G HA2 0.410 4.370 3.960 0.001 0.000 0.279 88 G HA3 0.410 4.370 3.960 0.001 0.000 0.279 88 G C -1.466 173.196 174.900 -0.397 0.000 1.297 88 G CA -0.552 44.449 45.100 -0.165 0.000 0.886 88 G HN 0.269 nan 8.290 nan 0.000 0.493 89 Y N -0.351 120.026 120.300 0.128 0.000 2.553 89 Y HA 0.772 5.322 4.550 0.001 0.000 0.347 89 Y C 0.385 176.523 175.900 0.397 0.000 1.019 89 Y CA -0.151 58.103 58.100 0.257 0.000 1.032 89 Y CB 2.619 41.293 38.460 0.357 0.000 1.284 89 Y HN 1.101 nan 8.280 nan 0.000 0.466 90 A N 2.566 125.668 122.820 0.471 0.000 2.449 90 A HA 0.716 5.037 4.320 0.001 0.000 0.302 90 A C -1.368 176.278 177.584 0.105 0.000 1.048 90 A CA -0.795 51.443 52.037 0.335 0.000 0.708 90 A CB 1.071 20.193 19.000 0.204 0.000 1.274 90 A HN 0.771 nan 8.150 nan 0.000 0.410 91 L N 1.143 122.339 121.223 -0.045 0.000 2.483 91 L HA 0.455 4.795 4.340 0.001 0.000 0.276 91 L C 0.733 177.598 176.870 -0.009 0.000 1.213 91 L CA 0.335 55.071 54.840 -0.173 0.000 0.843 91 L CB 0.939 42.892 42.059 -0.178 0.000 1.107 91 L HN 0.955 nan 8.230 nan 0.000 0.487 92 A N 2.844 125.669 122.820 0.008 0.000 2.588 92 A HA 0.649 4.969 4.320 0.001 0.000 0.290 92 A C -1.359 176.271 177.584 0.078 0.000 1.136 92 A CA -0.632 51.442 52.037 0.061 0.000 0.681 92 A CB 1.825 20.876 19.000 0.086 0.000 1.282 92 A HN 0.593 nan 8.150 nan 0.000 0.421 93 N N 0.835 119.590 118.700 0.091 0.000 2.581 93 N HA 0.262 5.002 4.740 0.001 0.000 0.279 93 N C -1.970 173.601 175.510 0.102 0.000 1.124 93 N CA -0.240 52.864 53.050 0.090 0.000 0.833 93 N CB 1.706 40.228 38.487 0.059 0.000 1.338 93 N HN 0.661 nan 8.380 nan 0.000 0.533 94 D N 3.164 123.644 120.400 0.134 0.000 2.551 94 D HA 0.096 4.736 4.640 0.001 0.000 0.223 94 D C -0.213 176.134 176.300 0.079 0.000 1.144 94 D CA -0.104 53.998 54.000 0.171 0.000 1.025 94 D CB 0.056 41.014 40.800 0.264 0.000 1.085 94 D HN 0.125 nan 8.370 nan 0.000 0.506 95 V N 2.375 122.278 119.914 -0.020 0.000 2.655 95 V HA 0.290 4.410 4.120 0.001 0.000 0.300 95 V C 0.630 176.561 176.094 -0.271 0.000 1.044 95 V CA 0.110 62.238 62.300 -0.287 0.000 1.095 95 V CB 0.989 32.441 31.823 -0.620 0.000 0.952 95 V HN 0.528 nan 8.190 nan 0.000 0.485 96 S N 4.202 119.760 115.700 -0.237 0.000 2.537 96 S HA 0.609 5.079 4.470 0.001 0.000 0.271 96 S C -0.828 173.781 174.600 0.014 0.000 1.148 96 S CA -0.825 57.379 58.200 0.008 0.000 0.868 96 S CB 1.079 64.294 63.200 0.024 0.000 1.115 96 S HN 0.547 nan 8.310 nan 0.000 0.461 97 L N 2.753 124.039 121.223 0.105 0.000 2.476 97 L HA 0.339 4.679 4.340 0.001 0.000 0.264 97 L C -2.049 174.821 176.870 -0.000 0.000 1.224 97 L CA -1.820 53.040 54.840 0.033 0.000 0.821 97 L CB -0.320 41.746 42.059 0.012 0.000 1.101 97 L HN 0.475 nan 8.230 nan 0.000 0.488 98 P HA -0.056 nan 4.420 nan 0.000 0.264 98 P C -0.926 176.361 177.300 -0.022 0.000 1.179 98 P CA 0.371 63.475 63.100 0.006 0.000 0.763 98 P CB 0.283 31.995 31.700 0.020 0.000 0.806 99 E N 2.584 122.775 120.200 -0.015 0.000 1.892 99 E HA -0.003 4.347 4.350 0.001 0.000 0.271 99 E C 0.666 177.273 176.600 0.012 0.000 1.146 99 E CA -0.015 56.304 56.400 -0.135 0.000 1.096 99 E CB -0.031 29.602 29.700 -0.112 0.000 1.155 99 E HN 0.457 nan 8.360 nan 0.000 0.458 100 E N 0.392 120.610 120.200 0.030 0.000 2.318 100 E HA -0.008 4.343 4.350 0.001 0.000 0.193 100 E C 0.563 177.354 176.600 0.318 0.000 0.998 100 E CA 0.318 56.832 56.400 0.190 0.000 0.859 100 E CB 0.632 30.395 29.700 0.104 0.000 0.812 100 E HN 0.107 nan 8.360 nan 0.000 0.492 101 S N -0.969 114.778 115.700 0.079 0.000 2.541 101 S HA 0.424 4.894 4.470 0.001 0.000 0.271 101 S C -1.045 173.442 174.600 -0.188 0.000 1.133 101 S CA -0.648 57.667 58.200 0.191 0.000 0.876 101 S CB 0.652 63.989 63.200 0.228 0.000 1.105 101 S HN -0.003 nan 8.310 nan 0.000 0.470 102 F N 2.665 122.743 119.950 0.214 0.000 2.654 102 F HA 0.338 4.865 4.527 0.001 0.000 0.303 102 F C 1.005 176.949 175.800 0.238 0.000 1.099 102 F CA -0.334 57.673 58.000 0.013 0.000 1.270 102 F CB 0.154 38.939 39.000 -0.358 0.000 1.024 102 F HN 0.750 nan 8.300 nan 0.000 0.548 103 Y N 0.828 121.299 120.300 0.284 0.000 2.163 103 Y HA 0.225 4.775 4.550 0.001 0.000 0.288 103 Y C 1.249 177.216 175.900 0.113 0.000 1.112 103 Y CA 1.188 59.320 58.100 0.054 0.000 1.104 103 Y CB 0.086 38.438 38.460 -0.179 0.000 1.016 103 Y HN -0.346 nan 8.280 nan 0.000 0.497 104 R N 1.282 121.768 120.500 -0.023 0.000 2.500 104 R HA 0.303 4.643 4.340 0.001 0.000 0.277 104 R C -2.572 173.773 176.300 0.075 0.000 1.026 104 R CA -2.876 53.171 56.100 -0.088 0.000 1.058 104 R CB -0.436 29.838 30.300 -0.044 0.000 1.078 104 R HN 0.108 nan 8.270 nan 0.000 0.509 105 P HA 0.013 nan 4.420 nan 0.000 0.266 105 P C -0.669 176.489 177.300 -0.235 0.000 1.195 105 P CA 0.225 63.214 63.100 -0.185 0.000 0.768 105 P CB 0.541 32.225 31.700 -0.027 0.000 0.838 106 A N 4.028 126.541 122.820 -0.512 0.000 3.157 106 A HA 0.162 4.483 4.320 0.001 0.000 0.276 106 A C 1.224 178.665 177.584 -0.239 0.000 1.524 106 A CA -0.199 51.632 52.037 -0.344 0.000 1.236 106 A CB -1.131 17.614 19.000 -0.426 0.000 1.173 106 A HN 0.390 nan 8.150 nan 0.000 0.595 107 I N 0.174 120.663 120.570 -0.137 0.000 2.235 107 I HA -0.140 4.030 4.170 0.001 0.000 0.241 107 I C 2.113 178.162 176.117 -0.114 0.000 1.085 107 I CA 1.345 62.633 61.300 -0.020 0.000 1.378 107 I CB -1.049 37.034 38.000 0.137 0.000 1.076 107 I HN 0.502 nan 8.210 nan 0.000 0.415 108 K N 1.113 121.260 120.400 -0.421 0.000 2.152 108 K HA -0.120 4.200 4.320 0.001 0.000 0.206 108 K C 2.119 178.534 176.600 -0.308 0.000 1.048 108 K CA 1.551 57.417 56.287 -0.701 0.000 0.933 108 K CB -0.139 31.889 32.500 -0.787 0.000 0.721 108 K HN 0.308 nan 8.250 nan 0.000 0.447 109 A N 1.172 123.882 122.820 -0.184 0.000 1.970 109 A HA -0.079 4.241 4.320 0.001 0.000 0.216 109 A C 1.662 179.290 177.584 0.073 0.000 1.170 109 A CA 1.198 53.195 52.037 -0.067 0.000 0.645 109 A CB 0.112 19.055 19.000 -0.095 0.000 0.816 109 A HN 0.144 nan 8.150 nan 0.000 0.447 110 K N -2.275 118.146 120.400 0.036 0.000 2.464 110 K HA 0.167 4.488 4.320 0.001 0.000 0.206 110 K C 0.207 176.923 176.600 0.194 0.000 1.186 110 K CA 0.271 56.654 56.287 0.160 0.000 0.990 110 K CB 0.697 33.207 32.500 0.017 0.000 1.003 110 K HN 0.396 nan 8.250 nan 0.000 0.562 111 C N 1.834 121.187 119.300 0.089 0.000 2.778 111 C HA 0.319 4.779 4.460 0.001 0.000 0.294 111 C C 0.670 175.661 174.990 0.003 0.000 1.331 111 C CA -0.738 58.339 59.018 0.098 0.000 1.741 111 C CB -1.151 26.680 27.740 0.153 0.000 2.106 111 C HN 0.246 nan 8.230 nan 0.000 0.603 112 R N 1.839 122.180 120.500 -0.265 0.000 2.694 112 R HA 0.182 4.523 4.340 0.001 0.000 0.268 112 R C -0.398 175.690 176.300 -0.353 0.000 1.061 112 R CA -0.108 55.676 56.100 -0.527 0.000 1.133 112 R CB 0.347 29.847 30.300 -1.333 0.000 1.020 112 R HN 0.302 nan 8.270 nan 0.000 0.475 113 D N 0.745 121.024 120.400 -0.201 0.000 2.488 113 D HA 0.056 4.697 4.640 0.001 0.000 0.238 113 D C 1.224 177.585 176.300 0.102 0.000 1.138 113 D CA 1.436 55.423 54.000 -0.022 0.000 0.873 113 D CB 0.541 41.334 40.800 -0.011 0.000 1.183 113 D HN 0.753 nan 8.370 nan 0.000 0.458 114 G N 1.694 110.598 108.800 0.173 0.000 2.166 114 G HA2 -0.334 3.627 3.960 0.001 0.000 0.260 114 G HA3 -0.334 3.627 3.960 0.001 0.000 0.260 114 G C 0.623 175.749 174.900 0.378 0.000 0.986 114 G CA -0.231 45.012 45.100 0.238 0.000 0.683 114 G HN 0.422 nan 8.290 nan 0.000 0.527 115 F N -0.194 119.800 119.950 0.074 0.000 2.769 115 F HA 0.424 4.951 4.527 0.000 0.000 0.304 115 F C 1.569 177.426 175.800 0.094 0.000 1.158 115 F CA -0.622 57.424 58.000 0.078 0.000 1.398 115 F CB 0.175 39.217 39.000 0.071 0.000 1.094 115 F HN 0.266 nan 8.300 nan 0.000 0.553 116 C N 2.316 121.755 119.300 0.231 0.000 3.498 116 C HA 0.422 4.883 4.460 0.001 0.000 0.218 116 C C -2.509 172.556 174.990 0.125 0.000 1.284 116 C CA -2.133 56.983 59.018 0.163 0.000 1.343 116 C CB -0.973 26.860 27.740 0.155 0.000 1.825 116 C HN -0.056 nan 8.230 nan 0.000 0.518 117 P HA 0.231 nan 4.420 nan 0.000 0.262 117 P C -0.495 176.856 177.300 0.084 0.000 1.182 117 P CA 0.766 63.919 63.100 0.088 0.000 0.761 117 P CB 0.438 32.181 31.700 0.072 0.000 0.795 118 I N 1.838 122.457 120.570 0.081 0.000 2.656 118 I HA 0.639 4.809 4.170 0.001 0.000 0.292 118 I C 0.264 176.429 176.117 0.080 0.000 1.144 118 I CA -0.553 60.795 61.300 0.080 0.000 1.038 118 I CB 2.078 40.127 38.000 0.083 0.000 1.244 118 I HN 0.433 nan 8.210 nan 0.000 0.420 119 G N 4.336 113.188 108.800 0.087 0.000 2.782 119 G HA2 0.280 4.240 3.960 0.001 0.000 0.201 119 G HA3 0.280 4.240 3.960 0.001 0.000 0.201 119 G C -0.794 174.175 174.900 0.114 0.000 1.374 119 G CA -0.506 44.652 45.100 0.097 0.000 1.039 119 G HN 0.672 nan 8.290 nan 0.000 0.576 120 E N -0.219 120.058 120.200 0.129 0.000 2.344 120 E HA 0.242 4.593 4.350 0.001 0.000 0.270 120 E C -0.272 176.422 176.600 0.157 0.000 1.021 120 E CA -0.152 56.321 56.400 0.122 0.000 0.887 120 E CB 0.333 30.099 29.700 0.110 0.000 0.997 120 E HN 0.208 nan 8.360 nan 0.000 0.429 121 T N 3.561 118.185 114.554 0.116 0.000 2.834 121 T HA 0.188 4.539 4.350 0.001 0.000 0.298 121 T C -0.413 174.335 174.700 0.080 0.000 0.966 121 T CA -0.429 61.739 62.100 0.113 0.000 1.141 121 T CB 0.592 69.498 68.868 0.063 0.000 0.905 121 T HN 0.202 nan 8.240 nan 0.000 0.535 122 V N 2.594 122.554 119.914 0.078 0.000 2.495 122 V HA 0.578 4.698 4.120 0.001 0.000 0.298 122 V C 0.521 176.612 176.094 -0.006 0.000 1.031 122 V CA -1.252 61.026 62.300 -0.036 0.000 0.871 122 V CB 1.625 33.289 31.823 -0.265 0.000 0.988 122 V HN 1.002 nan 8.190 nan 0.000 0.432 123 A N 6.404 129.213 122.820 -0.018 0.000 3.051 123 A HA 0.500 4.820 4.320 0.001 0.000 0.257 123 A C 0.121 177.717 177.584 0.020 0.000 1.785 123 A CA -0.052 51.992 52.037 0.012 0.000 1.420 123 A CB -0.905 18.092 19.000 -0.005 0.000 1.063 123 A HN 0.752 nan 8.150 nan 0.000 0.630 124 L N -0.001 121.263 121.223 0.069 0.000 2.421 124 L HA 0.290 4.630 4.340 0.001 0.000 0.263 124 L C 1.854 178.808 176.870 0.141 0.000 1.122 124 L CA -0.276 54.588 54.840 0.039 0.000 0.804 124 L CB 1.231 43.243 42.059 -0.079 0.000 1.150 124 L HN 0.511 nan 8.230 nan 0.000 0.457 125 S N 0.704 116.440 115.700 0.061 0.000 2.414 125 S HA -0.023 4.447 4.470 0.001 0.000 0.227 125 S C 0.365 175.028 174.600 0.105 0.000 1.022 125 S CA 1.075 59.323 58.200 0.080 0.000 0.958 125 S CB -0.232 62.985 63.200 0.028 0.000 0.797 125 S HN 0.921 nan 8.310 nan 0.000 0.493 126 N N -1.537 117.161 118.700 -0.003 0.000 3.179 126 N HA 0.315 5.055 4.740 0.001 0.000 0.250 126 N C -0.874 174.428 175.510 -0.346 0.000 1.507 126 N CA -0.302 52.687 53.050 -0.102 0.000 0.883 126 N CB 1.607 40.075 38.487 -0.031 0.000 1.435 126 N HN 0.112 nan 8.380 nan 0.000 0.532 127 V N -3.714 115.965 119.914 -0.392 0.000 2.778 127 V HA 0.495 4.616 4.120 0.001 0.000 0.356 127 V C -0.980 175.028 176.094 -0.144 0.000 1.283 127 V CA -0.710 61.407 62.300 -0.305 0.000 1.247 127 V CB -0.484 31.089 31.823 -0.416 0.000 1.408 127 V HN 0.550 nan 8.190 nan 0.000 0.620 128 D N 2.066 122.408 120.400 -0.097 0.000 2.389 128 D HA 0.215 4.855 4.640 0.001 0.000 0.247 128 D C 0.638 176.906 176.300 -0.053 0.000 1.128 128 D CA 0.650 54.618 54.000 -0.053 0.000 0.884 128 D CB 0.543 41.323 40.800 -0.033 0.000 1.194 128 D HN 0.605 nan 8.370 nan 0.000 0.441 129 N N -0.318 118.355 118.700 -0.044 0.000 2.740 129 N HA -0.243 4.498 4.740 0.001 0.000 0.248 129 N C -0.782 174.688 175.510 -0.067 0.000 1.062 129 N CA 0.030 53.054 53.050 -0.044 0.000 0.704 129 N CB -0.932 37.538 38.487 -0.029 0.000 0.968 129 N HN 0.271 nan 8.380 nan 0.000 0.547 130 L N 0.612 121.772 121.223 -0.104 0.000 2.275 130 L HA 0.408 4.749 4.340 0.001 0.000 0.288 130 L C -0.006 176.713 176.870 -0.252 0.000 1.046 130 L CA -0.012 54.746 54.840 -0.137 0.000 0.805 130 L CB 1.355 43.334 42.059 -0.133 0.000 1.193 130 L HN 0.035 nan 8.230 nan 0.000 0.426 131 T N 6.704 121.106 114.554 -0.254 0.000 2.749 131 T HA 0.465 4.815 4.350 0.001 0.000 0.295 131 T C 0.146 174.498 174.700 -0.579 0.000 0.936 131 T CA 0.078 61.904 62.100 -0.457 0.000 1.060 131 T CB -0.003 68.567 68.868 -0.496 0.000 0.904 131 T HN 0.379 nan 8.240 nan 0.000 0.500 132 I N 4.057 124.162 120.570 -0.775 0.000 2.321 132 I HA 0.348 4.519 4.170 0.001 0.000 0.291 132 I C -0.696 175.111 176.117 -0.517 0.000 0.998 132 I CA -0.853 60.054 61.300 -0.654 0.000 1.227 132 I CB 0.763 38.205 38.000 -0.930 0.000 1.368 132 I HN 0.565 nan 8.210 nan 0.000 0.466 133 Y N 3.711 123.949 120.300 -0.104 0.000 2.387 133 Y HA 0.458 5.009 4.550 0.001 0.000 0.336 133 Y C 0.468 176.386 175.900 0.031 0.000 1.067 133 Y CA -0.597 57.512 58.100 0.014 0.000 1.114 133 Y CB 1.962 40.429 38.460 0.013 0.000 1.208 133 Y HN 0.376 nan 8.280 nan 0.000 0.458 134 T N 3.076 117.768 114.554 0.231 0.000 2.807 134 T HA 0.421 4.772 4.350 0.001 0.000 0.279 134 T C -0.802 173.982 174.700 0.139 0.000 0.993 134 T CA -0.995 61.199 62.100 0.156 0.000 0.970 134 T CB 0.934 69.881 68.868 0.132 0.000 0.950 134 T HN 0.510 nan 8.240 nan 0.000 0.441 135 E N 2.101 122.359 120.200 0.097 0.000 2.212 135 E HA 0.567 4.918 4.350 0.001 0.000 0.268 135 E C -0.742 175.889 176.600 0.052 0.000 0.902 135 E CA -0.744 55.697 56.400 0.068 0.000 0.779 135 E CB 2.137 31.865 29.700 0.047 0.000 1.172 135 E HN 0.473 nan 8.360 nan 0.000 0.409 136 I N 3.023 123.619 120.570 0.042 0.000 2.410 136 I HA 0.203 4.373 4.170 0.001 0.000 0.286 136 I C -0.366 175.764 176.117 0.023 0.000 1.009 136 I CA -0.678 60.641 61.300 0.032 0.000 1.111 136 I CB 1.318 39.337 38.000 0.031 0.000 1.262 136 I HN 0.544 nan 8.210 nan 0.000 0.443 137 N N 4.706 123.417 118.700 0.018 0.000 2.725 137 N HA -0.194 4.546 4.740 0.001 0.000 0.249 137 N C 0.943 176.461 175.510 0.013 0.000 1.103 137 N CA 1.355 54.413 53.050 0.012 0.000 0.707 137 N CB -1.102 37.389 38.487 0.007 0.000 1.043 137 N HN 1.172 nan 8.380 nan 0.000 0.553 138 G N -1.050 107.759 108.800 0.016 0.000 2.162 138 G HA2 -0.375 3.585 3.960 0.001 0.000 0.260 138 G HA3 -0.375 3.585 3.960 0.001 0.000 0.260 138 G C 0.093 175.000 174.900 0.013 0.000 0.976 138 G CA 0.649 45.757 45.100 0.012 0.000 0.655 138 G HN 0.572 nan 8.290 nan 0.000 0.533 139 R N 0.772 121.283 120.500 0.019 0.000 2.346 139 R HA 0.495 4.835 4.340 0.001 0.000 0.311 139 R C -2.515 173.808 176.300 0.039 0.000 0.983 139 R CA -2.016 54.098 56.100 0.024 0.000 0.880 139 R CB 1.121 31.435 30.300 0.024 0.000 1.100 139 R HN 0.037 nan 8.270 nan 0.000 0.453 140 P HA -0.069 nan 4.420 nan 0.000 0.262 140 P C -0.548 176.804 177.300 0.088 0.000 1.182 140 P CA 0.521 63.671 63.100 0.083 0.000 0.761 140 P CB 1.095 32.849 31.700 0.091 0.000 0.795 141 A N 2.432 125.314 122.820 0.104 0.000 2.140 141 A HA 0.290 4.610 4.320 0.001 0.000 0.199 141 A C 0.130 177.757 177.584 0.071 0.000 1.416 141 A CA 0.549 52.631 52.037 0.075 0.000 1.018 141 A CB 0.134 19.172 19.000 0.062 0.000 1.117 141 A HN 0.515 nan 8.150 nan 0.000 0.480 142 D N -1.581 118.885 120.400 0.111 0.000 2.663 142 D HA 0.495 5.136 4.640 0.001 0.000 0.233 142 D C -1.386 175.009 176.300 0.158 0.000 1.240 142 D CA -0.273 53.773 54.000 0.076 0.000 0.774 142 D CB 1.173 42.027 40.800 0.090 0.000 1.443 142 D HN 0.434 nan 8.370 nan 0.000 0.441 143 H N 0.302 119.431 119.070 0.098 0.000 2.996 143 H HA 0.746 5.303 4.556 0.001 0.000 0.368 143 H C -1.346 174.038 175.328 0.093 0.000 1.185 143 H CA -0.939 55.077 56.048 -0.053 0.000 1.160 143 H CB 0.969 30.567 29.762 -0.273 0.000 1.820 143 H HN 0.524 nan 8.280 nan 0.000 0.547 144 W N 1.781 123.081 121.300 0.000 0.000 2.988 144 W HA 0.547 5.207 4.660 0.000 0.000 0.355 144 W C -1.827 174.708 176.519 0.026 0.000 1.233 144 W CA -0.766 56.608 57.345 0.047 0.000 1.176 144 W CB 1.678 31.142 29.460 0.008 0.000 1.477 144 W HN 0.729 nan 8.180 nan 0.000 0.582 145 N N 0.807 119.711 118.700 0.340 0.000 2.295 145 N HA 0.141 4.882 4.740 0.001 0.000 0.293 145 N C 0.949 176.570 175.510 0.185 0.000 1.040 145 N CA 0.225 53.304 53.050 0.047 0.000 0.840 145 N CB 2.587 41.108 38.487 0.056 0.000 1.468 145 N HN 0.496 nan 8.380 nan 0.000 0.478 146 T N 0.149 114.673 114.554 -0.049 0.000 2.946 146 T HA -0.106 4.244 4.350 0.001 0.000 0.271 146 T C 1.649 176.394 174.700 0.075 0.000 1.104 146 T CA 1.178 63.330 62.100 0.087 0.000 1.114 146 T CB -0.093 68.753 68.868 -0.036 0.000 0.867 146 T HN 0.473 nan 8.240 nan 0.000 0.513 147 A N 1.754 124.593 122.820 0.032 0.000 2.121 147 A HA -0.033 4.287 4.320 0.001 0.000 0.218 147 A C 1.943 179.518 177.584 -0.015 0.000 1.154 147 A CA 1.254 53.295 52.037 0.008 0.000 0.679 147 A CB -0.411 18.590 19.000 0.002 0.000 0.795 147 A HN 0.495 nan 8.150 nan 0.000 0.458 148 D N -0.409 119.973 120.400 -0.029 0.000 2.339 148 D HA 0.169 4.809 4.640 0.001 0.000 0.217 148 D C 0.234 176.318 176.300 -0.360 0.000 1.050 148 D CA 0.138 54.013 54.000 -0.209 0.000 0.856 148 D CB 0.073 40.695 40.800 -0.297 0.000 0.922 148 D HN 0.391 nan 8.370 nan 0.000 0.518 149 L N 1.089 122.223 121.223 -0.148 0.000 2.371 149 L HA 0.143 4.483 4.340 0.001 0.000 0.272 149 L C 1.915 178.738 176.870 -0.079 0.000 1.124 149 L CA -0.195 54.590 54.840 -0.092 0.000 0.816 149 L CB 1.371 43.470 42.059 0.067 0.000 1.129 149 L HN -0.144 nan 8.230 nan 0.000 0.448 150 Q N 2.521 122.269 119.800 -0.086 0.000 2.020 150 Q HA -0.007 4.333 4.340 0.001 0.000 0.198 150 Q C 0.211 176.180 176.000 -0.051 0.000 0.974 150 Q CA 1.128 56.884 55.803 -0.078 0.000 0.829 150 Q CB 0.358 29.036 28.738 -0.100 0.000 0.894 150 Q HN 0.527 nan 8.270 nan 0.000 0.433 151 R N 2.160 122.634 120.500 -0.045 0.000 2.294 151 R HA 0.192 4.532 4.340 0.001 0.000 0.319 151 R C -0.473 175.842 176.300 0.024 0.000 0.984 151 R CA -0.538 55.554 56.100 -0.014 0.000 0.861 151 R CB 0.871 31.155 30.300 -0.025 0.000 1.104 151 R HN 0.375 nan 8.270 nan 0.000 0.451 152 N N 2.065 120.787 118.700 0.038 0.000 2.366 152 N HA 0.102 4.842 4.740 0.001 0.000 0.277 152 N C 0.785 176.353 175.510 0.096 0.000 1.275 152 N CA -0.144 52.943 53.050 0.063 0.000 0.964 152 N CB 0.273 38.789 38.487 0.048 0.000 1.167 152 N HN 0.447 nan 8.380 nan 0.000 0.568 153 A N -0.239 122.658 122.820 0.129 0.000 1.877 153 A HA -0.009 4.311 4.320 0.001 0.000 0.216 153 A C 2.229 179.896 177.584 0.137 0.000 1.186 153 A CA 2.528 54.674 52.037 0.182 0.000 0.620 153 A CB -1.648 17.538 19.000 0.310 0.000 0.822 153 A HN 0.897 nan 8.150 nan 0.000 0.443 154 A N -0.701 122.188 122.820 0.116 0.000 1.892 154 A HA -0.298 4.023 4.320 0.001 0.000 0.218 154 A C 2.138 179.753 177.584 0.052 0.000 1.188 154 A CA 2.035 54.117 52.037 0.076 0.000 0.631 154 A CB -0.709 18.331 19.000 0.067 0.000 0.822 154 A HN 0.666 nan 8.150 nan 0.000 0.447 155 Q N -0.645 119.189 119.800 0.057 0.000 2.119 155 Q HA -0.035 4.305 4.340 0.001 0.000 0.201 155 Q C 2.112 178.162 176.000 0.083 0.000 0.972 155 Q CA 1.322 57.155 55.803 0.050 0.000 0.847 155 Q CB -0.297 28.464 28.738 0.038 0.000 0.903 155 Q HN 0.696 nan 8.270 nan 0.000 0.433 156 L N -0.034 121.262 121.223 0.122 0.000 2.017 156 L HA -0.216 4.124 4.340 0.001 0.000 0.208 156 L C 2.308 179.268 176.870 0.151 0.000 1.073 156 L CA 0.645 55.628 54.840 0.238 0.000 0.745 156 L CB -0.465 41.751 42.059 0.261 0.000 0.894 156 L HN 0.276 nan 8.230 nan 0.000 0.432 157 L N -0.672 120.574 121.223 0.038 0.000 2.012 157 L HA -0.237 4.103 4.340 0.001 0.000 0.210 157 L C 2.750 179.529 176.870 -0.150 0.000 1.073 157 L CA 2.053 56.840 54.840 -0.087 0.000 0.748 157 L CB -0.693 41.328 42.059 -0.064 0.000 0.891 157 L HN 0.203 nan 8.230 nan 0.000 0.431 158 S N -1.034 114.613 115.700 -0.088 0.000 2.356 158 S HA -0.164 4.306 4.470 0.001 0.000 0.223 158 S C 2.130 176.680 174.600 -0.084 0.000 1.032 158 S CA 1.247 59.386 58.200 -0.103 0.000 1.005 158 S CB -0.459 62.709 63.200 -0.053 0.000 0.867 158 S HN 0.644 nan 8.310 nan 0.000 0.449 159 A N 0.928 123.757 122.820 0.015 0.000 1.933 159 A HA 0.034 4.355 4.320 0.001 0.000 0.218 159 A C 2.136 179.727 177.584 0.011 0.000 1.175 159 A CA 1.588 53.693 52.037 0.113 0.000 0.628 159 A CB -0.711 18.455 19.000 0.277 0.000 0.814 159 A HN 0.562 nan 8.150 nan 0.000 0.444 160 L N 0.461 121.519 121.223 -0.275 0.000 2.068 160 L HA -0.028 4.313 4.340 0.001 0.000 0.204 160 L C 2.593 178.829 176.870 -1.056 0.000 1.076 160 L CA 2.588 56.842 54.840 -0.977 0.000 0.753 160 L CB -0.603 40.584 42.059 -1.453 0.000 0.910 160 L HN 0.430 nan 8.230 nan 0.000 0.439 161 S N -1.460 113.841 115.700 -0.665 0.000 2.547 161 S HA -0.151 4.320 4.470 0.001 0.000 0.235 161 S C 1.843 176.192 174.600 -0.418 0.000 0.980 161 S CA 0.742 58.617 58.200 -0.543 0.000 0.941 161 S CB -0.705 62.249 63.200 -0.410 0.000 0.763 161 S HN 0.590 nan 8.310 nan 0.000 0.532 162 E N 1.520 121.509 120.200 -0.351 0.000 2.153 162 E HA -0.146 4.205 4.350 0.001 0.000 0.194 162 E C 1.190 177.743 176.600 -0.077 0.000 0.988 162 E CA 1.409 57.721 56.400 -0.147 0.000 0.811 162 E CB -0.111 29.580 29.700 -0.015 0.000 0.746 162 E HN 0.884 nan 8.360 nan 0.000 0.466 163 F N -2.245 117.622 119.950 -0.138 0.000 2.876 163 F HA 0.557 5.085 4.527 0.001 0.000 0.344 163 F C 0.190 175.921 175.800 -0.117 0.000 1.029 163 F CA -0.253 57.687 58.000 -0.099 0.000 1.154 163 F CB 0.106 39.064 39.000 -0.070 0.000 1.040 163 F HN 0.003 nan 8.300 nan 0.000 0.576 164 A N 1.492 123.834 122.820 -0.796 0.000 2.340 164 A HA 0.614 4.934 4.320 0.001 0.000 0.297 164 A C -0.246 177.062 177.584 -0.459 0.000 1.195 164 A CA -0.442 51.267 52.037 -0.547 0.000 0.769 164 A CB 0.089 18.643 19.000 -0.743 0.000 1.163 164 A HN 0.152 nan 8.150 nan 0.000 0.472 165 T N 2.866 117.275 114.554 -0.242 0.000 2.916 165 T HA 0.376 4.726 4.350 0.001 0.000 0.303 165 T C 0.008 174.605 174.700 -0.173 0.000 1.025 165 T CA 0.747 62.732 62.100 -0.193 0.000 1.142 165 T CB -0.126 68.682 68.868 -0.100 0.000 0.947 165 T HN 0.396 nan 8.240 nan 0.000 0.544 166 L N 4.505 125.622 121.223 -0.176 0.000 2.325 166 L HA 0.455 4.795 4.340 0.001 0.000 0.278 166 L C 0.580 177.433 176.870 -0.028 0.000 1.023 166 L CA -0.731 54.052 54.840 -0.095 0.000 0.811 166 L CB 1.246 43.215 42.059 -0.150 0.000 1.249 166 L HN 0.507 nan 8.230 nan 0.000 0.431 167 N N 1.919 120.630 118.700 0.017 0.000 2.482 167 N HA 0.423 5.163 4.740 0.001 0.000 0.279 167 N C -2.560 172.964 175.510 0.024 0.000 1.182 167 N CA -1.865 51.197 53.050 0.020 0.000 0.969 167 N CB 0.624 39.126 38.487 0.024 0.000 1.201 167 N HN 0.231 nan 8.380 nan 0.000 0.523 168 P HA 0.069 nan 4.420 nan 0.000 0.261 168 P C 0.767 178.079 177.300 0.019 0.000 1.183 168 P CA 0.845 63.955 63.100 0.017 0.000 0.761 168 P CB 0.213 31.920 31.700 0.011 0.000 0.785 169 G N 1.967 110.778 108.800 0.018 0.000 2.213 169 G HA2 -0.182 3.778 3.960 0.001 0.000 0.236 169 G HA3 -0.182 3.778 3.960 0.001 0.000 0.236 169 G C 0.076 174.994 174.900 0.029 0.000 0.991 169 G CA -0.319 44.794 45.100 0.022 0.000 0.629 169 G HN 0.476 nan 8.290 nan 0.000 0.517 170 D N 0.957 121.381 120.400 0.040 0.000 2.360 170 D HA 0.676 5.317 4.640 0.001 0.000 0.242 170 D C 0.677 177.021 176.300 0.074 0.000 1.184 170 D CA 1.098 55.139 54.000 0.069 0.000 0.930 170 D CB 1.354 42.233 40.800 0.131 0.000 1.161 170 D HN 0.909 nan 8.370 nan 0.000 0.447 171 A N 0.602 123.489 122.820 0.112 0.000 2.527 171 A HA 0.779 5.100 4.320 0.001 0.000 0.293 171 A C -1.017 176.664 177.584 0.161 0.000 1.117 171 A CA -0.635 51.461 52.037 0.098 0.000 0.723 171 A CB 1.240 20.285 19.000 0.075 0.000 1.313 171 A HN 0.466 nan 8.150 nan 0.000 0.411 172 I N 1.279 121.925 120.570 0.126 0.000 2.478 172 I HA 0.274 4.445 4.170 0.001 0.000 0.287 172 I C -0.867 175.344 176.117 0.156 0.000 1.042 172 I CA -0.324 61.071 61.300 0.159 0.000 1.067 172 I CB 1.809 39.889 38.000 0.134 0.000 1.233 172 I HN 0.475 nan 8.210 nan 0.000 0.431 173 L N 6.212 127.518 121.223 0.138 0.000 2.360 173 L HA 0.284 4.624 4.340 0.001 0.000 0.276 173 L C 1.083 178.058 176.870 0.175 0.000 1.121 173 L CA -0.342 54.582 54.840 0.140 0.000 0.845 173 L CB 0.931 43.046 42.059 0.093 0.000 1.143 173 L HN 0.650 nan 8.230 nan 0.000 0.452 174 L N 3.026 124.376 121.223 0.213 0.000 2.554 174 L HA 0.215 4.555 4.340 0.001 0.000 0.226 174 L C 0.970 177.974 176.870 0.222 0.000 1.137 174 L CA 0.326 55.300 54.840 0.223 0.000 0.863 174 L CB -0.415 41.791 42.059 0.246 0.000 0.985 174 L HN 0.950 nan 8.230 nan 0.000 0.451 175 G N 0.021 108.960 108.800 0.231 0.000 2.392 175 G HA2 0.054 4.014 3.960 0.001 0.000 0.677 175 G HA3 0.054 4.014 3.960 0.001 0.000 0.677 175 G C -0.640 174.298 174.900 0.063 0.000 1.334 175 G CA -0.430 44.764 45.100 0.157 0.000 0.961 175 G HN 0.034 nan 8.290 nan 0.000 0.616 176 T N -0.909 113.546 114.554 -0.164 0.000 2.916 176 T HA 0.848 5.199 4.350 0.001 0.000 0.305 176 T C -2.937 171.364 174.700 -0.666 0.000 1.119 176 T CA -1.202 60.599 62.100 -0.498 0.000 1.008 176 T CB 3.119 71.887 68.868 -0.166 0.000 1.129 176 T HN 0.691 nan 8.240 nan 0.000 0.480 177 P HA 0.191 nan 4.420 nan 0.000 0.274 177 P C 0.487 177.499 177.300 -0.480 0.000 1.256 177 P CA -0.297 62.133 63.100 -1.116 0.000 0.795 177 P CB 1.119 32.003 31.700 -1.361 0.000 1.038 178 Q N 1.550 121.160 119.800 -0.316 0.000 2.084 178 Q HA -0.080 4.261 4.340 0.001 0.000 0.202 178 Q C 0.513 176.459 176.000 -0.090 0.000 0.978 178 Q CA 1.486 57.236 55.803 -0.089 0.000 0.844 178 Q CB -1.044 27.687 28.738 -0.012 0.000 0.898 178 Q HN 0.579 nan 8.270 nan 0.000 0.426 179 A N 0.819 123.547 122.820 -0.154 0.000 2.320 179 A HA 0.580 4.901 4.320 0.001 0.000 0.287 179 A C -0.599 176.920 177.584 -0.108 0.000 1.181 179 A CA -0.431 51.544 52.037 -0.102 0.000 0.831 179 A CB 0.406 19.351 19.000 -0.092 0.000 1.102 179 A HN 0.375 nan 8.150 nan 0.000 0.513 180 R N 0.543 121.011 120.500 -0.055 0.000 2.867 180 R HA 0.637 4.978 4.340 0.001 0.000 0.268 180 R C -0.875 175.421 176.300 -0.007 0.000 1.014 180 R CA -0.829 55.251 56.100 -0.033 0.000 0.946 180 R CB 2.235 32.521 30.300 -0.023 0.000 1.208 180 R HN 0.673 nan 8.270 nan 0.000 0.477 181 V N -1.600 118.320 119.914 0.010 0.000 2.630 181 V HA 0.476 4.596 4.120 0.001 0.000 0.305 181 V C -0.105 176.004 176.094 0.025 0.000 1.046 181 V CA -0.778 61.534 62.300 0.020 0.000 0.934 181 V CB 1.613 33.454 31.823 0.030 0.000 1.003 181 V HN 0.798 nan 8.190 nan 0.000 0.451 182 E N 3.473 123.692 120.200 0.032 0.000 2.301 182 E HA 0.581 4.931 4.350 0.001 0.000 0.275 182 E C -0.548 176.085 176.600 0.055 0.000 1.030 182 E CA -0.724 55.705 56.400 0.048 0.000 0.852 182 E CB 1.361 31.093 29.700 0.053 0.000 1.060 182 E HN 0.853 nan 8.360 nan 0.000 0.401 183 I N 0.092 120.714 120.570 0.087 0.000 2.797 183 I HA 0.553 4.723 4.170 0.001 0.000 0.307 183 I C -0.639 175.559 176.117 0.134 0.000 1.033 183 I CA -1.008 60.346 61.300 0.090 0.000 1.071 183 I CB 1.927 39.977 38.000 0.083 0.000 1.255 183 I HN 0.446 nan 8.210 nan 0.000 0.445 184 Q N 2.568 122.353 119.800 -0.026 0.000 2.456 184 Q HA 0.522 4.862 4.340 0.001 0.000 0.284 184 Q C -2.809 172.961 176.000 -0.383 0.000 1.061 184 Q CA -1.890 53.707 55.803 -0.344 0.000 0.799 184 Q CB 3.223 31.816 28.738 -0.242 0.000 1.445 184 Q HN 0.422 nan 8.270 nan 0.000 0.411 185 P HA -0.002 nan 4.420 nan 0.000 0.264 185 P C 0.413 177.613 177.300 -0.166 0.000 1.179 185 P CA 1.778 64.686 63.100 -0.319 0.000 0.763 185 P CB 0.312 31.809 31.700 -0.337 0.000 0.806 186 G N 1.544 110.295 108.800 -0.082 0.000 2.253 186 G HA2 -0.207 3.753 3.960 0.001 0.000 0.251 186 G HA3 -0.207 3.753 3.960 0.001 0.000 0.251 186 G C 0.066 174.948 174.900 -0.030 0.000 0.998 186 G CA -0.117 44.954 45.100 -0.048 0.000 0.621 186 G HN 0.515 nan 8.290 nan 0.000 0.524 187 D N 0.839 121.218 120.400 -0.034 0.000 2.372 187 D HA 0.489 5.130 4.640 0.001 0.000 0.243 187 D C 0.766 177.070 176.300 0.007 0.000 1.121 187 D CA 0.117 54.110 54.000 -0.012 0.000 0.898 187 D CB 0.481 41.277 40.800 -0.007 0.000 1.202 187 D HN 0.154 nan 8.370 nan 0.000 0.428 188 R N 1.241 121.748 120.500 0.013 0.000 2.310 188 R HA 0.405 4.745 4.340 0.001 0.000 0.324 188 R C -1.023 175.293 176.300 0.026 0.000 0.955 188 R CA -0.755 55.357 56.100 0.021 0.000 0.830 188 R CB 1.296 31.607 30.300 0.018 0.000 1.154 188 R HN 0.141 nan 8.270 nan 0.000 0.458 189 V N 3.926 123.860 119.914 0.033 0.000 2.384 189 V HA 0.486 4.607 4.120 0.001 0.000 0.287 189 V C 0.295 176.414 176.094 0.041 0.000 1.020 189 V CA -0.856 61.466 62.300 0.037 0.000 0.850 189 V CB 1.806 33.651 31.823 0.036 0.000 0.987 189 V HN 0.567 nan 8.190 nan 0.000 0.436 190 R N 3.410 123.937 120.500 0.046 0.000 2.480 190 R HA 0.747 5.087 4.340 0.001 0.000 0.306 190 R C -1.555 174.780 176.300 0.059 0.000 0.958 190 R CA -0.430 55.699 56.100 0.047 0.000 0.861 190 R CB 2.006 32.330 30.300 0.040 0.000 1.171 190 R HN 0.572 nan 8.270 nan 0.000 0.445 191 V N 6.077 126.022 119.914 0.053 0.000 2.472 191 V HA 0.520 4.640 4.120 0.001 0.000 0.290 191 V C -0.596 175.524 176.094 0.043 0.000 1.037 191 V CA -0.719 61.611 62.300 0.049 0.000 0.908 191 V CB 1.494 33.331 31.823 0.024 0.000 0.985 191 V HN 0.605 nan 8.190 nan 0.000 0.454 192 L N 3.712 124.976 121.223 0.067 0.000 2.422 192 L HA 0.973 5.314 4.340 0.001 0.000 0.264 192 L C -0.238 176.707 176.870 0.125 0.000 0.984 192 L CA -0.304 54.591 54.840 0.091 0.000 0.819 192 L CB 2.153 44.261 42.059 0.081 0.000 1.330 192 L HN 0.841 nan 8.230 nan 0.000 0.410 193 A N 1.052 123.946 122.820 0.123 0.000 2.604 193 A HA 0.666 4.986 4.320 0.001 0.000 0.295 193 A C -1.190 176.565 177.584 0.284 0.000 1.067 193 A CA -0.637 51.507 52.037 0.177 0.000 0.683 193 A CB 1.435 20.409 19.000 -0.042 0.000 1.281 193 A HN 0.652 nan 8.150 nan 0.000 0.407 194 E N 0.370 120.709 120.200 0.231 0.000 2.480 194 E HA 0.384 4.734 4.350 0.001 0.000 0.258 194 E C 1.287 177.994 176.600 0.178 0.000 0.984 194 E CA 2.095 58.591 56.400 0.160 0.000 0.930 194 E CB 0.148 29.908 29.700 0.101 0.000 0.936 194 E HN 2.145 nan 8.360 nan 0.000 0.466 195 G N 3.189 112.031 108.800 0.069 0.000 2.195 195 G HA2 -0.264 3.696 3.960 0.001 0.000 0.246 195 G HA3 -0.264 3.696 3.960 0.001 0.000 0.246 195 G C -0.130 174.636 174.900 -0.223 0.000 0.984 195 G CA 0.081 45.120 45.100 -0.101 0.000 0.633 195 G HN 0.398 nan 8.290 nan 0.000 0.525 196 F N 1.670 121.630 119.950 0.017 0.000 2.522 196 F HA 0.629 5.157 4.527 0.001 0.000 0.324 196 F C -1.945 173.870 175.800 0.026 0.000 1.077 196 F CA -2.485 55.532 58.000 0.029 0.000 0.944 196 F CB 1.916 40.937 39.000 0.034 0.000 1.175 196 F HN -0.169 nan 8.300 nan 0.000 0.468 197 P HA 0.238 nan 4.420 nan 0.000 0.276 197 P C -2.673 174.712 177.300 0.141 0.000 1.235 197 P CA -1.303 61.880 63.100 0.138 0.000 0.772 197 P CB 0.095 31.857 31.700 0.103 0.000 0.871 198 P HA 0.064 nan 4.420 nan 0.000 0.267 198 P C -0.648 176.693 177.300 0.068 0.000 1.200 198 P CA 0.002 63.146 63.100 0.075 0.000 0.772 198 P CB 0.266 31.997 31.700 0.052 0.000 0.855 199 L N 2.208 123.465 121.223 0.057 0.000 2.305 199 L HA 0.510 4.851 4.340 0.001 0.000 0.284 199 L C -0.396 176.503 176.870 0.048 0.000 1.013 199 L CA -0.173 54.699 54.840 0.054 0.000 0.819 199 L CB 1.085 43.174 42.059 0.050 0.000 1.227 199 L HN 0.292 nan 8.230 nan 0.000 0.417 200 E N 4.165 124.393 120.200 0.046 0.000 2.234 200 E HA 0.512 4.862 4.350 0.001 0.000 0.266 200 E C -1.534 175.092 176.600 0.043 0.000 0.877 200 E CA -0.660 55.765 56.400 0.042 0.000 0.758 200 E CB 1.224 30.945 29.700 0.036 0.000 1.170 200 E HN 0.759 nan 8.360 nan 0.000 0.415 201 N N 4.688 123.414 118.700 0.043 0.000 2.260 201 N HA 0.374 5.114 4.740 0.001 0.000 0.293 201 N C -2.825 172.711 175.510 0.044 0.000 1.058 201 N CA -1.379 51.699 53.050 0.046 0.000 0.824 201 N CB 2.465 40.983 38.487 0.052 0.000 1.551 201 N HN 0.360 nan 8.380 nan 0.000 0.475 202 P HA 0.237 nan 4.420 nan 0.000 0.282 202 P C -0.589 176.745 177.300 0.057 0.000 1.249 202 P CA -0.368 62.757 63.100 0.042 0.000 0.806 202 P CB 1.435 33.157 31.700 0.036 0.000 0.984 203 V N 3.561 123.508 119.914 0.055 0.000 2.394 203 V HA 0.317 4.437 4.120 0.001 0.000 0.282 203 V C 0.407 176.543 176.094 0.070 0.000 1.031 203 V CA -0.495 61.859 62.300 0.090 0.000 0.881 203 V CB 1.570 33.447 31.823 0.090 0.000 0.982 203 V HN 0.297 nan 8.190 nan 0.000 0.451 204 V N 3.080 123.062 119.914 0.112 0.000 2.656 204 V HA 0.361 4.482 4.120 0.001 0.000 0.307 204 V C -0.182 175.994 176.094 0.136 0.000 1.051 204 V CA -0.841 61.511 62.300 0.086 0.000 0.893 204 V CB 2.105 33.971 31.823 0.072 0.000 0.999 204 V HN 0.894 nan 8.190 nan 0.000 0.426 205 D N 3.202 123.656 120.400 0.091 0.000 2.586 205 D HA -0.083 4.557 4.640 0.001 0.000 0.234 205 D C 1.488 177.867 176.300 0.132 0.000 1.132 205 D CA 0.623 54.701 54.000 0.130 0.000 0.860 205 D CB 1.016 41.853 40.800 0.063 0.000 1.159 205 D HN 0.864 nan 8.370 nan 0.000 0.490 206 E N 3.871 124.168 120.200 0.161 0.000 2.209 206 E HA -0.246 4.105 4.350 0.001 0.000 0.196 206 E C 1.386 178.025 176.600 0.065 0.000 0.993 206 E CA 0.709 57.173 56.400 0.105 0.000 0.819 206 E CB -0.112 29.639 29.700 0.085 0.000 0.745 206 E HN 0.468 nan 8.360 nan 0.000 0.477 207 R N 0.783 121.320 120.500 0.062 0.000 2.200 207 R HA -0.114 4.227 4.340 0.001 0.000 0.234 207 R C 1.763 178.083 176.300 0.033 0.000 1.127 207 R CA 1.705 57.829 56.100 0.040 0.000 0.989 207 R CB -0.145 30.178 30.300 0.039 0.000 0.869 207 R HN 0.415 nan 8.270 nan 0.000 0.459 208 E N 0.043 120.267 120.200 0.040 0.000 2.452 208 E HA 0.048 4.398 4.350 0.001 0.000 0.197 208 E C -0.230 176.388 176.600 0.031 0.000 1.022 208 E CA -0.041 56.378 56.400 0.032 0.000 0.890 208 E CB 0.667 30.386 29.700 0.032 0.000 0.918 208 E HN -0.010 nan 8.360 nan 0.000 0.496 209 V N 3.066 123.003 119.914 0.038 0.000 2.508 209 V HA -0.020 4.100 4.120 0.001 0.000 0.281 209 V C 1.239 177.346 176.094 0.022 0.000 1.041 209 V CA -0.016 62.305 62.300 0.034 0.000 1.016 209 V CB 0.778 32.629 31.823 0.046 0.000 0.984 209 V HN 0.280 nan 8.190 nan 0.000 0.478 210 T N 2.490 117.054 114.554 0.016 0.000 4.339 210 T HA -0.038 4.313 4.350 0.001 0.000 0.431 210 T C 0.901 175.603 174.700 0.004 0.000 1.117 210 T CA 0.857 62.962 62.100 0.008 0.000 1.020 210 T CB 0.055 68.926 68.868 0.005 0.000 1.522 210 T HN 0.770 nan 8.240 nan 0.000 0.494 211 T N 0.051 114.604 114.554 -0.002 0.000 2.906 211 T HA 0.214 4.564 4.350 0.001 0.000 0.320 211 T C 0.311 175.002 174.700 -0.015 0.000 1.088 211 T CA -0.276 61.819 62.100 -0.008 0.000 1.120 211 T CB -0.205 68.655 68.868 -0.012 0.000 1.000 211 T HN 0.562 nan 8.240 nan 0.000 0.550 212 R N 2.165 122.655 120.500 -0.017 0.000 2.539 212 R HA 0.268 4.608 4.340 0.001 0.000 0.275 212 R C 0.211 176.471 176.300 -0.067 0.000 1.077 212 R CA -0.623 55.463 56.100 -0.024 0.000 1.097 212 R CB 0.439 30.735 30.300 -0.008 0.000 1.018 212 R HN 0.593 nan 8.270 nan 0.000 0.483 213 K N 1.810 122.150 120.400 -0.100 0.000 2.472 213 K HA -0.029 4.291 4.320 0.001 0.000 0.280 213 K C -0.448 175.904 176.600 -0.414 0.000 1.028 213 K CA 0.157 56.292 56.287 -0.253 0.000 1.045 213 K CB 0.388 32.737 32.500 -0.250 0.000 0.902 213 K HN 0.696 nan 8.250 nan 0.000 0.478 214 S N 3.362 118.794 115.700 -0.447 0.000 2.690 214 S HA 0.654 5.125 4.470 0.001 0.000 0.291 214 S C -0.603 173.596 174.600 -0.667 0.000 1.138 214 S CA -0.894 57.082 58.200 -0.373 0.000 1.013 214 S CB 0.761 63.884 63.200 -0.128 0.000 1.053 214 S HN 0.417 nan 8.310 nan 0.000 0.539 215 F N -0.150 119.823 119.950 0.038 0.000 2.588 215 F HA 0.597 5.125 4.527 0.001 0.000 0.314 215 F C -2.404 173.423 175.800 0.046 0.000 1.069 215 F CA -2.144 55.885 58.000 0.049 0.000 0.931 215 F CB 0.729 39.772 39.000 0.071 0.000 1.260 215 F HN 0.392 nan 8.300 nan 0.000 0.465 216 P HA 0.205 nan 4.420 nan 0.000 0.268 216 P C -0.541 176.831 177.300 0.119 0.000 1.205 216 P CA -0.443 62.729 63.100 0.119 0.000 0.771 216 P CB 0.370 32.114 31.700 0.073 0.000 0.858 217 T N 0.710 115.309 114.554 0.075 0.000 2.897 217 T HA 0.628 4.978 4.350 0.001 0.000 0.294 217 T C -0.005 174.688 174.700 -0.011 0.000 1.004 217 T CA -0.649 61.489 62.100 0.063 0.000 1.106 217 T CB 0.398 69.302 68.868 0.061 0.000 0.949 217 T HN 0.193 nan 8.240 nan 0.000 0.520 218 L N 2.121 123.313 121.223 -0.051 0.000 2.327 218 L HA 0.571 4.912 4.340 0.001 0.000 0.258 218 L C -2.317 174.532 176.870 -0.034 0.000 1.024 218 L CA -2.815 51.940 54.840 -0.143 0.000 0.825 218 L CB 2.033 43.808 42.059 -0.474 0.000 1.386 218 L HN 0.483 nan 8.230 nan 0.000 0.417 219 P HA 0.060 nan 4.420 nan 0.000 0.268 219 P C -0.921 176.428 177.300 0.083 0.000 1.204 219 P CA -0.104 63.019 63.100 0.038 0.000 0.768 219 P CB 0.212 31.923 31.700 0.017 0.000 0.842 220 H N 4.566 123.659 119.070 0.038 0.000 3.001 220 H HA 0.111 4.667 4.556 0.001 0.000 0.334 220 H C -1.838 173.517 175.328 0.045 0.000 1.034 220 H CA -0.874 55.204 56.048 0.049 0.000 1.420 220 H CB -0.039 29.743 29.762 0.033 0.000 1.405 220 H HN 0.282 nan 8.280 nan 0.000 0.593 221 P HA 0.174 nan 4.420 nan 0.000 0.286 221 P C -1.355 175.901 177.300 -0.073 0.000 1.269 221 P CA -0.136 62.611 63.100 -0.588 0.000 0.787 221 P CB 0.802 32.181 31.700 -0.535 0.000 0.920 222 H N 0.957 119.982 119.070 -0.075 0.000 3.240 222 H HA 0.575 5.131 4.556 0.001 0.000 0.329 222 H C -0.539 174.760 175.328 -0.048 0.000 1.024 222 H CA 0.095 56.107 56.048 -0.060 0.000 1.487 222 H CB 0.750 30.489 29.762 -0.039 0.000 1.909 222 H HN 0.832 nan 8.280 nan 0.000 0.465 223 G N 1.718 110.269 108.800 -0.415 0.000 2.337 223 G HA2 0.183 4.143 3.960 0.001 0.000 0.298 223 G HA3 0.183 4.143 3.960 0.001 0.000 0.298 223 G C -1.126 173.591 174.900 -0.305 0.000 1.335 223 G CA -0.580 44.333 45.100 -0.313 0.000 0.875 223 G HN 0.515 nan 8.290 nan 0.000 0.579 224 T N 0.634 115.018 114.554 -0.282 0.000 2.888 224 T HA 0.373 4.724 4.350 0.001 0.000 0.301 224 T C 0.036 174.545 174.700 -0.319 0.000 1.001 224 T CA 0.290 62.161 62.100 -0.382 0.000 1.147 224 T CB 1.018 69.583 68.868 -0.505 0.000 0.931 224 T HN 0.781 nan 8.240 nan 0.000 0.541 225 L N 5.602 126.618 121.223 -0.345 0.000 2.272 225 L HA 0.509 4.849 4.340 0.001 0.000 0.284 225 L C -1.191 175.495 176.870 -0.305 0.000 1.045 225 L CA -0.676 54.042 54.840 -0.203 0.000 0.842 225 L CB -0.678 41.306 42.059 -0.126 0.000 1.224 225 L HN 0.453 nan 8.230 nan 0.000 0.430 226 F N 3.790 123.672 119.950 -0.112 0.000 2.375 226 F HA 0.723 5.250 4.527 0.001 0.000 0.333 226 F C 0.750 176.405 175.800 -0.243 0.000 1.104 226 F CA 0.009 57.917 58.000 -0.152 0.000 1.149 226 F CB 1.421 40.368 39.000 -0.089 0.000 1.190 226 F HN 0.616 nan 8.300 nan 0.000 0.533 227 A N 3.515 126.165 122.820 -0.284 0.000 2.486 227 A HA 0.688 5.009 4.320 0.001 0.000 0.300 227 A C -1.570 175.772 177.584 -0.403 0.000 1.048 227 A CA -0.705 51.050 52.037 -0.470 0.000 0.696 227 A CB 1.289 19.747 19.000 -0.903 0.000 1.278 227 A HN 0.600 nan 8.150 nan 0.000 0.405 228 L N 2.297 123.475 121.223 -0.076 0.000 2.357 228 L HA 0.479 4.819 4.340 0.001 0.000 0.273 228 L C 1.362 178.392 176.870 0.267 0.000 1.080 228 L CA 0.571 55.472 54.840 0.103 0.000 0.803 228 L CB 1.210 43.350 42.059 0.135 0.000 1.174 228 L HN 1.013 nan 8.230 nan 0.000 0.443 229 G N 2.896 111.886 108.800 0.318 0.000 3.048 229 G HA2 0.057 4.017 3.960 0.001 0.000 0.151 229 G HA3 0.057 4.017 3.960 0.001 0.000 0.151 229 G C 0.180 175.217 174.900 0.229 0.000 1.803 229 G CA -0.586 44.697 45.100 0.305 0.000 1.047 229 G HN 0.479 nan 8.290 nan 0.000 0.513 230 L N 1.982 123.314 121.223 0.181 0.000 2.530 230 L HA 0.143 4.484 4.340 0.001 0.000 0.273 230 L C -0.032 176.942 176.870 0.174 0.000 1.141 230 L CA 0.365 55.300 54.840 0.158 0.000 0.905 230 L CB 0.370 42.496 42.059 0.112 0.000 1.202 230 L HN 0.488 nan 8.230 nan 0.000 0.473 231 N N 3.922 122.744 118.700 0.203 0.000 2.232 231 N HA 0.157 4.897 4.740 0.001 0.000 0.240 231 N C -1.610 173.878 175.510 -0.036 0.000 1.307 231 N CA -0.146 52.975 53.050 0.118 0.000 0.859 231 N CB 0.354 38.933 38.487 0.154 0.000 1.260 231 N HN 0.428 nan 8.380 nan 0.000 0.501 232 Y N -0.185 120.091 120.300 -0.041 0.000 2.361 232 Y HA 0.543 5.093 4.550 0.001 0.000 0.337 232 Y C 0.938 176.770 175.900 -0.114 0.000 0.965 232 Y CA -0.856 57.196 58.100 -0.080 0.000 1.091 232 Y CB 1.904 40.326 38.460 -0.063 0.000 1.182 232 Y HN 0.035 nan 8.280 nan 0.000 0.450 233 A N 1.404 124.174 122.820 -0.084 0.000 2.015 233 A HA -0.063 4.257 4.320 0.001 0.000 0.219 233 A C 0.281 177.797 177.584 -0.114 0.000 1.163 233 A CA 0.778 52.763 52.037 -0.088 0.000 0.646 233 A CB -0.624 18.333 19.000 -0.072 0.000 0.806 233 A HN 0.915 nan 8.150 nan 0.000 0.448 234 D N 0.778 121.030 120.400 -0.247 0.000 5.634 234 D HA -0.157 4.483 4.640 0.001 0.000 0.182 234 D C 0.248 176.521 176.300 -0.045 0.000 1.159 234 D CA 1.088 54.960 54.000 -0.213 0.000 0.915 234 D CB -0.870 39.898 40.800 -0.053 0.000 1.209 234 D HN 0.726 nan 8.370 nan 0.000 0.675 245 E N 0.401 120.691 120.200 0.150 0.000 2.030 245 E HA 0.092 4.443 4.350 0.001 0.000 0.189 245 E C 0.724 177.439 176.600 0.192 0.000 0.974 245 E CA 1.681 58.168 56.400 0.144 0.000 0.807 245 E CB -0.277 29.479 29.700 0.095 0.000 0.771 245 E HN 0.749 nan 8.360 nan 0.000 0.451 246 E N -0.019 120.242 120.200 0.101 0.000 2.336 246 E HA 0.520 4.871 4.350 0.001 0.000 0.267 246 E C -2.780 173.610 176.600 -0.349 0.000 0.906 246 E CA -2.484 53.837 56.400 -0.131 0.000 0.781 246 E CB 2.263 31.936 29.700 -0.045 0.000 1.261 246 E HN -0.005 nan 8.360 nan 0.000 0.436 247 P HA 0.002 nan 4.420 nan 0.000 0.266 247 P C -0.755 176.403 177.300 -0.237 0.000 1.195 247 P CA -0.381 62.268 63.100 -0.752 0.000 0.768 247 P CB 0.333 31.392 31.700 -1.068 0.000 0.838 248 L N 5.134 126.340 121.223 -0.028 0.000 2.261 248 L HA 0.284 4.625 4.340 0.001 0.000 0.289 248 L C -0.763 176.201 176.870 0.156 0.000 1.059 248 L CA -0.251 54.638 54.840 0.081 0.000 0.816 248 L CB 0.423 42.553 42.059 0.117 0.000 1.191 248 L HN 0.056 nan 8.230 nan 0.000 0.431 249 V N 6.361 126.388 119.914 0.188 0.000 2.628 249 V HA 0.616 4.736 4.120 0.001 0.000 0.306 249 V C -0.280 176.003 176.094 0.315 0.000 1.045 249 V CA -0.534 61.901 62.300 0.225 0.000 0.905 249 V CB 1.451 33.435 31.823 0.269 0.000 0.997 249 V HN 0.658 nan 8.190 nan 0.000 0.436 250 F N 2.673 122.708 119.950 0.142 0.000 2.629 250 F HA 0.866 5.393 4.527 0.001 0.000 0.316 250 F C -1.217 174.635 175.800 0.088 0.000 1.081 250 F CA -1.467 56.593 58.000 0.100 0.000 0.954 250 F CB 1.309 40.357 39.000 0.079 0.000 1.337 250 F HN 0.240 nan 8.300 nan 0.000 0.474 251 L N 1.645 122.959 121.223 0.152 0.000 2.334 251 L HA 0.616 4.956 4.340 0.001 0.000 0.272 251 L C -0.651 176.278 176.870 0.098 0.000 1.020 251 L CA -1.009 53.803 54.840 -0.047 0.000 0.812 251 L CB 1.972 43.965 42.059 -0.110 0.000 1.264 251 L HN 0.652 nan 8.230 nan 0.000 0.439 252 K N 1.378 121.767 120.400 -0.017 0.000 2.292 252 K HA 0.619 4.940 4.320 0.001 0.000 0.257 252 K C -0.592 176.006 176.600 -0.004 0.000 0.940 252 K CA -0.565 55.764 56.287 0.070 0.000 0.811 252 K CB 2.177 34.717 32.500 0.066 0.000 1.120 252 K HN 0.674 nan 8.250 nan 0.000 0.428 253 A N 3.885 126.739 122.820 0.056 0.000 2.462 253 A HA 0.184 4.505 4.320 0.001 0.000 0.243 253 A C -1.445 176.141 177.584 0.003 0.000 1.076 253 A CA -0.974 51.066 52.037 0.007 0.000 0.773 253 A CB -0.134 18.982 19.000 0.194 0.000 1.010 253 A HN 0.566 nan 8.150 nan 0.000 0.493 254 P HA -0.119 nan 4.420 nan 0.000 0.222 254 P C 0.593 177.893 177.300 -0.000 0.000 1.147 254 P CA 1.015 64.087 63.100 -0.047 0.000 0.790 254 P CB 0.059 31.707 31.700 -0.087 0.000 0.780 255 N N -0.924 117.795 118.700 0.032 0.000 2.550 255 N HA -0.064 4.677 4.740 0.001 0.000 0.186 255 N C 1.667 177.204 175.510 0.046 0.000 1.110 255 N CA 0.821 53.890 53.050 0.033 0.000 0.912 255 N CB -0.956 37.547 38.487 0.028 0.000 0.968 255 N HN 0.139 nan 8.380 nan 0.000 0.448 256 T N 0.181 114.774 114.554 0.065 0.000 2.995 256 T HA 0.086 4.437 4.350 0.001 0.000 0.269 256 T C 0.726 175.469 174.700 0.072 0.000 1.091 256 T CA 0.189 62.340 62.100 0.085 0.000 1.128 256 T CB -0.028 68.910 68.868 0.117 0.000 0.891 256 T HN 0.079 nan 8.240 nan 0.000 0.492 257 L N 1.778 123.026 121.223 0.043 0.000 2.416 257 L HA 0.381 4.722 4.340 0.001 0.000 0.272 257 L C 0.461 177.350 176.870 0.031 0.000 1.161 257 L CA -0.121 54.736 54.840 0.028 0.000 0.845 257 L CB 1.055 43.108 42.059 -0.010 0.000 1.119 257 L HN 0.062 nan 8.230 nan 0.000 0.464 258 T N 1.502 116.080 114.554 0.040 0.000 2.883 258 T HA 0.629 4.979 4.350 0.001 0.000 0.296 258 T C 0.077 174.797 174.700 0.034 0.000 1.117 258 T CA -0.106 62.016 62.100 0.037 0.000 1.006 258 T CB 1.670 70.570 68.868 0.053 0.000 1.191 258 T HN 0.694 nan 8.240 nan 0.000 0.508 259 G N 0.603 109.420 108.800 0.029 0.000 2.508 259 G HA2 0.408 4.368 3.960 0.001 0.000 0.278 259 G HA3 0.408 4.368 3.960 0.001 0.000 0.278 259 G C -0.478 174.446 174.900 0.040 0.000 1.389 259 G CA -0.376 44.741 45.100 0.029 0.000 1.050 259 G HN 0.772 nan 8.290 nan 0.000 0.522 260 D N -1.301 119.122 120.400 0.038 0.000 2.399 260 D HA 0.077 4.718 4.640 0.001 0.000 0.241 260 D C 0.857 177.178 176.300 0.034 0.000 1.133 260 D CA 0.336 54.358 54.000 0.038 0.000 0.890 260 D CB 0.381 41.201 40.800 0.033 0.000 1.201 260 D HN 0.415 nan 8.370 nan 0.000 0.432 261 N N 1.374 120.095 118.700 0.036 0.000 2.727 261 N HA -0.200 4.540 4.740 0.001 0.000 0.249 261 N C -1.000 174.529 175.510 0.032 0.000 1.048 261 N CA 0.680 53.748 53.050 0.032 0.000 0.714 261 N CB -0.384 38.115 38.487 0.021 0.000 0.959 261 N HN 0.388 nan 8.380 nan 0.000 0.544 262 Q N -0.964 118.861 119.800 0.042 0.000 2.527 262 Q HA 0.577 4.917 4.340 0.001 0.000 0.220 262 Q C 0.573 176.600 176.000 0.045 0.000 1.014 262 Q CA -0.112 55.714 55.803 0.039 0.000 0.978 262 Q CB 0.392 29.154 28.738 0.041 0.000 1.245 262 Q HN 0.488 nan 8.270 nan 0.000 0.513 263 T N -2.480 112.095 114.554 0.036 0.000 2.918 263 T HA 0.760 5.111 4.350 0.001 0.000 0.286 263 T C -0.359 174.354 174.700 0.021 0.000 1.026 263 T CA -0.669 61.446 62.100 0.025 0.000 1.031 263 T CB 1.326 70.200 68.868 0.010 0.000 1.046 263 T HN 0.280 nan 8.240 nan 0.000 0.479 264 S N 0.978 116.669 115.700 -0.015 0.000 2.557 264 S HA 0.579 5.049 4.470 0.001 0.000 0.291 264 S C -0.541 173.983 174.600 -0.125 0.000 1.116 264 S CA -0.761 57.397 58.200 -0.070 0.000 0.992 264 S CB 1.662 64.784 63.200 -0.130 0.000 1.028 264 S HN 0.748 nan 8.310 nan 0.000 0.484 265 V N 3.650 123.506 119.914 -0.098 0.000 2.465 265 V HA 0.410 4.530 4.120 0.001 0.000 0.279 265 V C 0.559 176.584 176.094 -0.114 0.000 1.045 265 V CA -0.556 61.698 62.300 -0.078 0.000 0.938 265 V CB 1.082 32.886 31.823 -0.031 0.000 0.986 265 V HN 0.735 nan 8.190 nan 0.000 0.467 266 R N 6.225 126.659 120.500 -0.110 0.000 2.234 266 R HA 0.351 4.691 4.340 0.001 0.000 0.324 266 R C -2.540 173.725 176.300 -0.058 0.000 1.054 266 R CA -1.663 54.369 56.100 -0.114 0.000 0.912 266 R CB 1.214 31.444 30.300 -0.115 0.000 1.030 266 R HN 0.434 nan 8.270 nan 0.000 0.455 267 P HA -0.033 nan 4.420 nan 0.000 0.267 267 P C -0.891 176.414 177.300 0.008 0.000 1.200 267 P CA 0.113 63.225 63.100 0.020 0.000 0.772 267 P CB 0.460 32.208 31.700 0.079 0.000 0.855 268 N N 2.031 120.749 118.700 0.030 0.000 2.454 268 N HA -0.025 4.715 4.740 0.001 0.000 0.254 268 N C -0.096 175.433 175.510 0.032 0.000 1.228 268 N CA 0.171 53.235 53.050 0.023 0.000 0.900 268 N CB -0.536 37.969 38.487 0.030 0.000 1.089 268 N HN 0.414 nan 8.380 nan 0.000 0.449 269 N N -0.315 118.395 118.700 0.017 0.000 2.783 269 N HA -0.176 4.564 4.740 0.001 0.000 0.247 269 N C -1.241 174.280 175.510 0.019 0.000 1.089 269 N CA 0.347 53.411 53.050 0.023 0.000 0.690 269 N CB -1.363 37.147 38.487 0.038 0.000 0.991 269 N HN 0.482 nan 8.380 nan 0.000 0.552 270 I N -4.280 116.280 120.570 -0.017 0.000 2.910 270 I HA 0.470 4.640 4.170 0.001 0.000 0.310 270 I C 1.213 177.312 176.117 -0.030 0.000 1.043 270 I CA -0.889 60.378 61.300 -0.056 0.000 1.053 270 I CB 1.951 39.841 38.000 -0.184 0.000 1.242 270 I HN -0.018 nan 8.210 nan 0.000 0.452 271 E N 1.749 121.944 120.200 -0.009 0.000 2.102 271 E HA 0.032 4.382 4.350 0.001 0.000 0.190 271 E C -0.743 175.930 176.600 0.121 0.000 0.971 271 E CA 0.454 56.882 56.400 0.048 0.000 0.821 271 E CB 0.386 30.118 29.700 0.054 0.000 0.777 271 E HN 0.658 nan 8.360 nan 0.000 0.460 272 Y N 0.531 120.784 120.300 -0.079 0.000 2.315 272 Y HA 0.335 4.885 4.550 0.001 0.000 0.324 272 Y C -1.291 174.560 175.900 -0.081 0.000 1.062 272 Y CA -0.796 57.273 58.100 -0.052 0.000 1.159 272 Y CB 1.451 39.901 38.460 -0.018 0.000 1.145 272 Y HN -0.058 nan 8.280 nan 0.000 0.442 273 M N 7.899 127.363 119.600 -0.227 0.000 2.253 273 M HA 0.429 4.909 4.480 0.001 0.000 0.314 273 M C -1.749 174.367 176.300 -0.306 0.000 1.019 273 M CA -0.389 54.769 55.300 -0.236 0.000 0.932 273 M CB 0.966 33.432 32.600 -0.223 0.000 1.606 273 M HN 0.816 nan 8.290 nan 0.000 0.430 274 H N 3.264 122.202 119.070 -0.220 0.000 2.690 274 H HA 0.383 4.940 4.556 0.001 0.000 0.368 274 H C -1.664 173.607 175.328 -0.096 0.000 1.150 274 H CA -0.833 54.999 56.048 -0.359 0.000 1.174 274 H CB 0.610 30.086 29.762 -0.475 0.000 1.684 274 H HN 0.744 nan 8.280 nan 0.000 0.538 275 Y N 0.347 120.788 120.300 0.235 0.000 2.335 275 Y HA 0.409 4.959 4.550 0.001 0.000 0.348 275 Y C -0.392 175.539 175.900 0.052 0.000 1.280 275 Y CA -0.769 57.297 58.100 -0.058 0.000 1.504 275 Y CB 0.516 38.921 38.460 -0.092 0.000 1.366 275 Y HN 0.649 nan 8.280 nan 0.000 0.621 276 E N 0.653 120.941 120.200 0.148 0.000 2.361 276 E HA 0.528 4.878 4.350 0.001 0.000 0.270 276 E C -1.328 175.318 176.600 0.078 0.000 0.911 276 E CA -0.814 55.689 56.400 0.171 0.000 0.818 276 E CB 1.688 31.468 29.700 0.133 0.000 1.332 276 E HN 0.895 nan 8.360 nan 0.000 0.402 277 A N 3.715 126.576 122.820 0.067 0.000 2.440 277 A HA 0.347 4.667 4.320 0.001 0.000 0.251 277 A C -0.103 177.479 177.584 -0.004 0.000 1.089 277 A CA 0.106 52.140 52.037 -0.005 0.000 0.779 277 A CB 0.443 19.414 19.000 -0.050 0.000 1.022 277 A HN 0.577 nan 8.150 nan 0.000 0.492 278 E N 1.351 121.565 120.200 0.024 0.000 2.331 278 E HA 0.320 4.671 4.350 0.001 0.000 0.275 278 E C -1.544 175.102 176.600 0.077 0.000 0.895 278 E CA -1.033 55.405 56.400 0.064 0.000 0.753 278 E CB 2.028 31.780 29.700 0.087 0.000 1.216 278 E HN 0.531 nan 8.360 nan 0.000 0.434 279 L N 2.551 123.836 121.223 0.102 0.000 2.410 279 L HA 0.173 4.513 4.340 0.001 0.000 0.273 279 L C -1.057 175.885 176.870 0.119 0.000 1.144 279 L CA -0.015 54.880 54.840 0.093 0.000 0.863 279 L CB 0.840 42.937 42.059 0.063 0.000 1.140 279 L HN 0.317 nan 8.230 nan 0.000 0.463 280 V N 6.249 126.242 119.914 0.130 0.000 2.398 280 V HA 0.389 4.510 4.120 0.001 0.000 0.286 280 V C -0.128 176.060 176.094 0.157 0.000 1.026 280 V CA -0.780 61.599 62.300 0.133 0.000 0.868 280 V CB 1.617 33.513 31.823 0.121 0.000 0.982 280 V HN 0.539 nan 8.190 nan 0.000 0.443 281 V N 5.896 125.888 119.914 0.131 0.000 2.432 281 V HA 0.369 4.489 4.120 0.001 0.000 0.275 281 V C 0.043 176.131 176.094 -0.010 0.000 1.043 281 V CA -0.401 61.937 62.300 0.064 0.000 0.925 281 V CB 1.640 33.509 31.823 0.077 0.000 0.985 281 V HN 0.623 nan 8.190 nan 0.000 0.466 282 V N 5.961 125.809 119.914 -0.109 0.000 2.398 282 V HA 0.420 4.541 4.120 0.001 0.000 0.286 282 V C 0.116 176.161 176.094 -0.081 0.000 1.026 282 V CA -0.698 61.556 62.300 -0.076 0.000 0.868 282 V CB 1.690 33.429 31.823 -0.139 0.000 0.982 282 V HN 0.561 nan 8.190 nan 0.000 0.443 283 I N 3.868 124.430 120.570 -0.014 0.000 2.529 283 I HA 0.253 4.424 4.170 0.001 0.000 0.284 283 I C 1.367 177.490 176.117 0.011 0.000 1.082 283 I CA 0.487 61.791 61.300 0.007 0.000 1.406 283 I CB 1.022 39.044 38.000 0.036 0.000 1.405 283 I HN 0.782 nan 8.210 nan 0.000 0.548 284 G N 5.815 114.621 108.800 0.010 0.000 2.939 284 G HA2 0.070 4.031 3.960 0.001 0.000 0.216 284 G HA3 0.070 4.031 3.960 0.001 0.000 0.216 284 G C 0.508 175.421 174.900 0.022 0.000 1.125 284 G CA -0.002 45.098 45.100 -0.001 0.000 0.766 284 G HN 0.547 nan 8.290 nan 0.000 0.541 285 K N 0.482 120.925 120.400 0.071 0.000 2.542 285 K HA 0.288 4.608 4.320 0.001 0.000 0.259 285 K C -1.036 175.688 176.600 0.207 0.000 0.932 285 K CA -0.708 55.633 56.287 0.090 0.000 0.820 285 K CB 1.698 34.179 32.500 -0.031 0.000 1.345 285 K HN 0.010 nan 8.250 nan 0.000 0.432 286 Q N 1.835 121.731 119.800 0.161 0.000 2.286 286 Q HA 0.212 4.552 4.340 0.001 0.000 0.290 286 Q C -1.297 174.810 176.000 0.178 0.000 1.049 286 Q CA 0.315 56.203 55.803 0.142 0.000 0.923 286 Q CB 0.667 29.465 28.738 0.100 0.000 1.183 286 Q HN 0.562 nan 8.270 nan 0.000 0.383 287 A N 4.592 127.423 122.820 0.019 0.000 2.359 287 A HA 0.691 5.011 4.320 0.001 0.000 0.303 287 A C -1.183 176.262 177.584 -0.232 0.000 1.066 287 A CA -0.680 51.219 52.037 -0.231 0.000 0.730 287 A CB 1.568 20.294 19.000 -0.455 0.000 1.211 287 A HN 0.724 nan 8.150 nan 0.000 0.439 288 R N 2.349 122.708 120.500 -0.235 0.000 2.564 288 R HA 0.495 4.836 4.340 0.001 0.000 0.284 288 R C -0.610 175.571 176.300 -0.200 0.000 1.031 288 R CA -0.204 55.778 56.100 -0.197 0.000 0.904 288 R CB 0.566 30.796 30.300 -0.117 0.000 1.199 288 R HN 0.737 nan 8.270 nan 0.000 0.443 289 N N 1.649 120.224 118.700 -0.208 0.000 2.725 289 N HA -0.152 4.589 4.740 0.001 0.000 0.251 289 N C -1.110 174.293 175.510 -0.179 0.000 1.031 289 N CA 1.042 53.990 53.050 -0.170 0.000 0.720 289 N CB -0.888 37.533 38.487 -0.110 0.000 0.930 289 N HN 0.284 nan 8.380 nan 0.000 0.543 290 V N 0.857 120.616 119.914 -0.258 0.000 2.465 290 V HA 0.285 4.405 4.120 0.001 0.000 0.279 290 V C 1.100 177.091 176.094 -0.171 0.000 1.045 290 V CA -0.637 61.502 62.300 -0.268 0.000 0.938 290 V CB 1.745 33.256 31.823 -0.521 0.000 0.986 290 V HN 0.472 nan 8.190 nan 0.000 0.467 291 S N 2.631 118.274 115.700 -0.095 0.000 2.593 291 S HA 0.150 4.621 4.470 0.001 0.000 0.269 291 S C 1.062 175.634 174.600 -0.047 0.000 1.334 291 S CA -0.014 58.147 58.200 -0.064 0.000 1.015 291 S CB 0.941 64.126 63.200 -0.025 0.000 0.912 291 S HN 0.830 nan 8.310 nan 0.000 0.541 292 E N 1.707 121.882 120.200 -0.041 0.000 2.097 292 E HA -0.224 4.127 4.350 0.001 0.000 0.196 292 E C 2.140 178.760 176.600 0.033 0.000 1.000 292 E CA 1.459 57.858 56.400 -0.001 0.000 0.804 292 E CB -0.584 29.126 29.700 0.017 0.000 0.740 292 E HN 0.869 nan 8.360 nan 0.000 0.454 293 A N 0.995 123.833 122.820 0.029 0.000 1.933 293 A HA -0.166 4.154 4.320 0.001 0.000 0.218 293 A C 1.414 179.034 177.584 0.059 0.000 1.175 293 A CA 1.763 53.825 52.037 0.042 0.000 0.628 293 A CB -0.126 18.893 19.000 0.032 0.000 0.814 293 A HN 0.288 nan 8.150 nan 0.000 0.444 294 D N -0.348 120.095 120.400 0.072 0.000 2.368 294 D HA 0.364 5.005 4.640 0.001 0.000 0.218 294 D C 1.606 178.025 176.300 0.198 0.000 1.112 294 D CA 0.697 54.772 54.000 0.125 0.000 0.834 294 D CB 0.064 40.960 40.800 0.160 0.000 0.953 294 D HN 0.400 nan 8.370 nan 0.000 0.505 295 A N 1.329 124.224 122.820 0.125 0.000 1.908 295 A HA -0.197 4.124 4.320 0.001 0.000 0.218 295 A C 2.079 179.783 177.584 0.201 0.000 1.181 295 A CA 1.133 53.245 52.037 0.124 0.000 0.627 295 A CB -0.322 18.710 19.000 0.053 0.000 0.818 295 A HN 0.087 nan 8.150 nan 0.000 0.445 296 M N 0.344 120.032 119.600 0.146 0.000 2.358 296 M HA -0.107 4.374 4.480 0.001 0.000 0.264 296 M C 0.816 177.159 176.300 0.073 0.000 1.064 296 M CA 0.945 56.312 55.300 0.111 0.000 1.093 296 M CB -1.477 31.184 32.600 0.102 0.000 1.401 296 M HN 0.342 nan 8.290 nan 0.000 0.440 297 D N -0.567 119.873 120.400 0.067 0.000 2.310 297 D HA -0.132 4.508 4.640 0.001 0.000 0.212 297 D C 1.306 177.458 176.300 -0.247 0.000 0.965 297 D CA 1.092 55.024 54.000 -0.113 0.000 0.879 297 D CB -0.283 40.382 40.800 -0.226 0.000 0.921 297 D HN 0.438 nan 8.370 nan 0.000 0.510 298 Y N -0.053 120.227 120.300 -0.034 0.000 2.457 298 Y HA 0.179 4.729 4.550 0.000 0.000 0.263 298 Y C 0.659 176.522 175.900 -0.061 0.000 1.164 298 Y CA -0.237 57.838 58.100 -0.043 0.000 1.274 298 Y CB 0.478 38.911 38.460 -0.045 0.000 1.097 298 Y HN -0.281 nan 8.280 nan 0.000 0.523 299 V N 0.594 120.526 119.914 0.029 0.000 2.432 299 V HA 0.327 4.448 4.120 0.001 0.000 0.275 299 V C 0.967 176.984 176.094 -0.128 0.000 1.043 299 V CA 0.013 62.269 62.300 -0.073 0.000 0.925 299 V CB 1.136 32.882 31.823 -0.128 0.000 0.985 299 V HN 0.354 nan 8.190 nan 0.000 0.466 300 A N 3.800 126.532 122.820 -0.147 0.000 1.930 300 A HA 0.568 4.888 4.320 0.001 0.000 0.215 300 A C 1.188 178.632 177.584 -0.233 0.000 1.176 300 A CA 1.311 53.258 52.037 -0.150 0.000 0.632 300 A CB -0.211 18.722 19.000 -0.112 0.000 0.819 300 A HN 1.396 nan 8.150 nan 0.000 0.445 301 G N -2.987 105.573 108.800 -0.401 0.000 2.404 301 G HA2 0.404 4.364 3.960 0.001 0.000 0.253 301 G HA3 0.404 4.364 3.960 0.001 0.000 0.253 301 G C -1.539 172.906 174.900 -0.758 0.000 1.253 301 G CA -0.489 44.251 45.100 -0.601 0.000 0.917 301 G HN 0.256 nan 8.290 nan 0.000 0.480 302 Y N -0.818 119.445 120.300 -0.062 0.000 2.536 302 Y HA 0.838 5.388 4.550 0.001 0.000 0.347 302 Y C 0.674 176.535 175.900 -0.065 0.000 1.000 302 Y CA -0.174 57.894 58.100 -0.053 0.000 1.051 302 Y CB 2.565 41.002 38.460 -0.038 0.000 1.259 302 Y HN 0.808 nan 8.280 nan 0.000 0.468 303 T N -0.009 114.616 114.554 0.118 0.000 2.647 303 T HA 0.697 5.047 4.350 0.001 0.000 0.295 303 T C -2.058 172.703 174.700 0.101 0.000 1.126 303 T CA -0.592 61.554 62.100 0.077 0.000 1.040 303 T CB 1.431 70.311 68.868 0.020 0.000 1.472 303 T HN 0.529 nan 8.240 nan 0.000 0.500 304 V N 1.659 121.630 119.914 0.095 0.000 2.735 304 V HA 0.808 4.929 4.120 0.001 0.000 0.310 304 V C -0.373 175.768 176.094 0.078 0.000 1.061 304 V CA -0.396 61.950 62.300 0.077 0.000 0.913 304 V CB 0.661 32.517 31.823 0.055 0.000 1.005 304 V HN 1.294 nan 8.190 nan 0.000 0.428 305 C N 4.059 123.395 119.300 0.060 0.000 2.971 305 C HA 0.747 5.207 4.460 0.001 0.000 0.310 305 C C -0.609 174.381 174.990 0.001 0.000 1.285 305 C CA -0.785 58.258 59.018 0.042 0.000 1.593 305 C CB 1.746 29.519 27.740 0.055 0.000 2.076 305 C HN 0.865 nan 8.230 nan 0.000 0.472 306 N N 1.252 119.925 118.700 -0.044 0.000 2.626 306 N HA 0.247 4.987 4.740 0.001 0.000 0.249 306 N C -1.281 174.115 175.510 -0.189 0.000 1.021 306 N CA 0.098 53.050 53.050 -0.164 0.000 0.886 306 N CB 0.864 39.189 38.487 -0.270 0.000 1.149 306 N HN 0.888 nan 8.380 nan 0.000 0.517 307 D N 3.236 123.586 120.400 -0.083 0.000 2.619 307 D HA 0.058 4.698 4.640 0.001 0.000 0.224 307 D C -0.337 175.968 176.300 0.008 0.000 1.133 307 D CA -0.138 53.872 54.000 0.016 0.000 1.017 307 D CB -0.498 40.361 40.800 0.099 0.000 1.077 307 D HN 0.313 nan 8.370 nan 0.000 0.503 308 Y N 1.112 121.438 120.300 0.044 0.000 2.788 308 Y HA 0.248 4.799 4.550 0.001 0.000 0.341 308 Y C 0.972 176.790 175.900 -0.136 0.000 1.258 308 Y CA 0.043 58.107 58.100 -0.059 0.000 1.503 308 Y CB 0.588 39.023 38.460 -0.041 0.000 1.325 308 Y HN 0.329 nan 8.280 nan 0.000 0.614 309 A N 3.588 126.294 122.820 -0.190 0.000 2.414 309 A HA 0.700 5.020 4.320 0.001 0.000 0.306 309 A C -1.446 175.976 177.584 -0.270 0.000 1.054 309 A CA -0.752 51.132 52.037 -0.256 0.000 0.724 309 A CB 0.924 19.718 19.000 -0.344 0.000 1.267 309 A HN 0.491 nan 8.150 nan 0.000 0.418 310 I N 2.888 123.360 120.570 -0.164 0.000 2.307 310 I HA 0.274 4.444 4.170 0.001 0.000 0.287 310 I C 1.495 177.514 176.117 -0.163 0.000 1.054 310 I CA 0.033 61.195 61.300 -0.231 0.000 1.218 310 I CB 0.581 38.353 38.000 -0.380 0.000 1.398 310 I HN 1.023 nan 8.210 nan 0.000 0.475 311 R N 3.487 123.966 120.500 -0.036 0.000 2.148 311 R HA -0.140 4.200 4.340 0.001 0.000 0.227 311 R C 0.865 177.154 176.300 -0.018 0.000 1.103 311 R CA 1.483 57.611 56.100 0.047 0.000 0.983 311 R CB 0.316 30.714 30.300 0.162 0.000 0.874 311 R HN 0.482 nan 8.270 nan 0.000 0.451 312 D N -0.464 119.871 120.400 -0.109 0.000 2.182 312 D HA -0.197 4.444 4.640 0.001 0.000 0.201 312 D C 0.747 177.093 176.300 0.078 0.000 0.986 312 D CA 1.222 55.170 54.000 -0.087 0.000 0.847 312 D CB -0.088 40.581 40.800 -0.218 0.000 0.942 312 D HN 0.342 nan 8.370 nan 0.000 0.467 313 Y N 0.123 120.411 120.300 -0.019 0.000 2.466 313 Y HA 0.294 4.844 4.550 0.001 0.000 0.272 313 Y C 0.549 176.427 175.900 -0.035 0.000 1.169 313 Y CA -0.765 57.310 58.100 -0.043 0.000 1.285 313 Y CB -0.879 37.526 38.460 -0.093 0.000 1.078 313 Y HN -0.067 nan 8.280 nan 0.000 0.523 314 L N 1.388 122.679 121.223 0.113 0.000 2.490 314 L HA 0.043 4.384 4.340 0.001 0.000 0.274 314 L C 0.437 177.353 176.870 0.076 0.000 1.201 314 L CA 0.834 55.712 54.840 0.065 0.000 0.869 314 L CB 0.434 42.515 42.059 0.036 0.000 1.123 314 L HN 0.200 nan 8.230 nan 0.000 0.484 315 E N 1.881 122.128 120.200 0.078 0.000 2.431 315 E HA 0.308 4.658 4.350 0.001 0.000 0.268 315 E C -0.706 175.954 176.600 0.101 0.000 0.953 315 E CA -0.944 55.526 56.400 0.116 0.000 0.810 315 E CB 1.120 30.921 29.700 0.169 0.000 1.369 315 E HN 0.445 nan 8.360 nan 0.000 0.440 316 N N 0.726 119.481 118.700 0.092 0.000 2.558 316 N HA 0.163 4.904 4.740 0.001 0.000 0.281 316 N C -1.426 173.896 175.510 -0.314 0.000 1.219 316 N CA 0.164 53.214 53.050 -0.001 0.000 0.942 316 N CB 0.108 38.592 38.487 -0.006 0.000 1.241 316 N HN 0.307 nan 8.380 nan 0.000 0.511 317 Y N -0.312 120.030 120.300 0.071 0.000 2.327 317 Y HA 0.215 4.765 4.550 0.001 0.000 0.325 317 Y C -0.301 175.640 175.900 0.069 0.000 0.999 317 Y CA -0.984 57.113 58.100 -0.004 0.000 1.195 317 Y CB 0.649 38.986 38.460 -0.204 0.000 1.132 317 Y HN 0.061 nan 8.280 nan 0.000 0.455 318 Y N 0.788 121.163 120.300 0.126 0.000 3.037 318 Y HA -0.284 4.267 4.550 0.001 0.000 0.204 318 Y C 0.748 176.627 175.900 -0.035 0.000 1.275 318 Y CA 0.005 58.142 58.100 0.061 0.000 1.066 318 Y CB -1.014 37.544 38.460 0.163 0.000 1.305 318 Y HN 0.588 nan 8.280 nan 0.000 0.499 319 R N 2.491 122.966 120.500 -0.041 0.000 2.308 319 R HA 0.344 4.684 4.340 0.001 0.000 0.305 319 R C -2.417 173.731 176.300 -0.253 0.000 1.053 319 R CA -1.508 54.493 56.100 -0.166 0.000 0.957 319 R CB 0.880 31.012 30.300 -0.279 0.000 1.022 319 R HN -0.009 nan 8.270 nan 0.000 0.461 320 P HA 0.100 nan 4.420 nan 0.000 0.285 320 P C -1.307 175.826 177.300 -0.278 0.000 1.259 320 P CA -0.424 62.470 63.100 -0.343 0.000 0.794 320 P CB 0.966 32.363 31.700 -0.505 0.000 0.940 321 N N 3.159 121.813 118.700 -0.075 0.000 2.447 321 N HA 0.174 4.914 4.740 0.001 0.000 0.271 321 N C 1.150 176.721 175.510 0.101 0.000 1.226 321 N CA -0.759 52.338 53.050 0.078 0.000 0.980 321 N CB 0.893 39.458 38.487 0.130 0.000 1.206 321 N HN 0.249 nan 8.380 nan 0.000 0.558 322 L N -0.339 121.032 121.223 0.247 0.000 2.131 322 L HA -0.063 4.278 4.340 0.001 0.000 0.210 322 L C 2.648 179.539 176.870 0.035 0.000 1.092 322 L CA 1.030 56.032 54.840 0.270 0.000 0.759 322 L CB -0.256 42.069 42.059 0.442 0.000 0.903 322 L HN 0.611 nan 8.230 nan 0.000 0.435 323 R N -0.637 119.686 120.500 -0.294 0.000 2.237 323 R HA -0.098 4.242 4.340 0.001 0.000 0.219 323 R C 1.858 177.985 176.300 -0.288 0.000 1.080 323 R CA 0.693 56.241 56.100 -0.920 0.000 0.995 323 R CB 0.177 29.932 30.300 -0.908 0.000 0.875 323 R HN 0.186 nan 8.270 nan 0.000 0.462 324 V N -0.158 119.715 119.914 -0.069 0.000 2.575 324 V HA -0.012 4.108 4.120 0.001 0.000 0.242 324 V C 1.710 177.827 176.094 0.038 0.000 1.045 324 V CA 1.205 63.513 62.300 0.014 0.000 1.065 324 V CB 0.094 31.915 31.823 -0.004 0.000 0.717 324 V HN 0.117 nan 8.190 nan 0.000 0.467 325 K N -0.549 119.895 120.400 0.073 0.000 2.373 325 K HA 0.315 4.635 4.320 0.001 0.000 0.200 325 K C 1.031 177.768 176.600 0.228 0.000 1.054 325 K CA 0.236 56.624 56.287 0.167 0.000 1.065 325 K CB 1.201 33.815 32.500 0.190 0.000 0.886 325 K HN 0.310 nan 8.250 nan 0.000 0.546 326 S N 1.054 116.892 115.700 0.230 0.000 2.711 326 S HA 0.255 4.726 4.470 0.001 0.000 0.247 326 S C -0.010 174.752 174.600 0.269 0.000 1.079 326 S CA -0.410 57.941 58.200 0.251 0.000 1.050 326 S CB 0.595 63.970 63.200 0.292 0.000 0.885 326 S HN 0.138 nan 8.310 nan 0.000 0.498 327 R N 1.789 122.436 120.500 0.245 0.000 2.594 327 R HA 0.184 4.524 4.340 0.001 0.000 0.272 327 R C -0.720 175.672 176.300 0.153 0.000 1.074 327 R CA -0.549 55.701 56.100 0.250 0.000 1.105 327 R CB 0.204 30.616 30.300 0.187 0.000 1.008 327 R HN 0.153 nan 8.270 nan 0.000 0.472 328 D N 1.310 121.777 120.400 0.112 0.000 2.531 328 D HA 0.008 4.649 4.640 0.001 0.000 0.239 328 D C 1.336 177.674 176.300 0.063 0.000 1.144 328 D CA 1.519 55.555 54.000 0.060 0.000 0.869 328 D CB 0.514 41.329 40.800 0.025 0.000 1.160 328 D HN 0.793 nan 8.370 nan 0.000 0.484 329 G N 2.253 111.091 108.800 0.063 0.000 2.180 329 G HA2 -0.317 3.643 3.960 0.001 0.000 0.263 329 G HA3 -0.317 3.643 3.960 0.001 0.000 0.263 329 G C 0.791 175.752 174.900 0.100 0.000 0.989 329 G CA 0.062 45.202 45.100 0.067 0.000 0.692 329 G HN 0.472 nan 8.290 nan 0.000 0.526 330 L N 1.145 122.444 121.223 0.127 0.000 2.653 330 L HA 0.353 4.693 4.340 0.001 0.000 0.232 330 L C 0.967 178.018 176.870 0.303 0.000 1.169 330 L CA 1.169 56.134 54.840 0.209 0.000 0.951 330 L CB 0.476 42.621 42.059 0.144 0.000 1.181 330 L HN 0.171 nan 8.230 nan 0.000 0.460 331 T N -0.050 114.622 114.554 0.197 0.000 3.317 331 T HA 0.299 4.649 4.350 0.001 0.000 0.361 331 T C -2.557 172.205 174.700 0.102 0.000 1.499 331 T CA -1.257 60.926 62.100 0.139 0.000 1.529 331 T CB 0.916 69.846 68.868 0.103 0.000 0.997 331 T HN -0.215 nan 8.240 nan 0.000 0.624 332 P HA 0.206 nan 4.420 nan 0.000 0.264 332 P C -0.485 176.846 177.300 0.052 0.000 1.183 332 P CA 0.001 63.149 63.100 0.079 0.000 0.763 332 P CB 0.440 32.192 31.700 0.088 0.000 0.807 333 M N 3.032 122.662 119.600 0.051 0.000 2.365 333 M HA 0.291 4.771 4.480 0.001 0.000 0.287 333 M C -1.450 174.897 176.300 0.077 0.000 1.154 333 M CA -0.822 54.516 55.300 0.063 0.000 0.941 333 M CB 1.500 34.130 32.600 0.049 0.000 1.704 333 M HN 0.094 nan 8.290 nan 0.000 0.479 334 L N 2.434 123.725 121.223 0.113 0.000 2.439 334 L HA 0.229 4.570 4.340 0.001 0.000 0.269 334 L C 1.331 178.319 176.870 0.198 0.000 1.179 334 L CA 0.042 54.953 54.840 0.119 0.000 0.828 334 L CB 1.675 43.793 42.059 0.099 0.000 1.106 334 L HN 0.993 nan 8.230 nan 0.000 0.467 335 S N -0.553 115.240 115.700 0.154 0.000 2.562 335 S HA -0.024 4.447 4.470 0.001 0.000 0.221 335 S C 0.726 175.484 174.600 0.263 0.000 0.975 335 S CA 0.082 58.413 58.200 0.219 0.000 0.918 335 S CB -0.406 62.855 63.200 0.101 0.000 0.772 335 S HN 0.772 nan 8.310 nan 0.000 0.531 336 T N 0.361 115.003 114.554 0.147 0.000 2.907 336 T HA 0.710 5.061 4.350 0.001 0.000 0.284 336 T C -0.404 174.282 174.700 -0.023 0.000 1.004 336 T CA -0.882 61.254 62.100 0.060 0.000 1.063 336 T CB 0.992 69.885 68.868 0.043 0.000 0.992 336 T HN 0.247 nan 8.240 nan 0.000 0.483 337 I N 2.365 122.892 120.570 -0.072 0.000 2.418 337 I HA 0.332 4.503 4.170 0.001 0.000 0.287 337 I C -0.478 175.611 176.117 -0.047 0.000 1.008 337 I CA -1.330 59.895 61.300 -0.126 0.000 1.104 337 I CB 2.172 40.044 38.000 -0.213 0.000 1.264 337 I HN 0.439 nan 8.210 nan 0.000 0.438 338 V N 8.577 128.491 119.914 -0.000 0.000 2.455 338 V HA 0.214 4.335 4.120 0.001 0.000 0.273 338 V C -2.013 174.100 176.094 0.032 0.000 1.045 338 V CA -1.546 60.778 62.300 0.039 0.000 0.976 338 V CB 0.608 32.482 31.823 0.085 0.000 0.993 338 V HN 0.542 nan 8.190 nan 0.000 0.475 339 P HA 0.103 nan 4.420 nan 0.000 0.269 339 P C 0.670 177.988 177.300 0.030 0.000 1.215 339 P CA -0.424 62.663 63.100 -0.021 0.000 0.780 339 P CB 0.542 32.234 31.700 -0.014 0.000 0.898 340 K N 2.966 123.353 120.400 -0.022 0.000 2.209 340 K HA -0.175 4.146 4.320 0.001 0.000 0.204 340 K C 1.105 177.776 176.600 0.119 0.000 1.048 340 K CA 1.384 57.721 56.287 0.083 0.000 0.940 340 K CB -0.296 32.186 32.500 -0.029 0.000 0.729 340 K HN 0.345 nan 8.250 nan 0.000 0.451 341 E N 1.230 121.461 120.200 0.052 0.000 2.204 341 E HA -0.138 4.213 4.350 0.001 0.000 0.194 341 E C 1.933 178.560 176.600 0.046 0.000 0.989 341 E CA 1.199 57.624 56.400 0.042 0.000 0.824 341 E CB -0.321 29.390 29.700 0.018 0.000 0.756 341 E HN 0.485 nan 8.360 nan 0.000 0.477 342 A N 1.383 124.235 122.820 0.054 0.000 2.168 342 A HA 0.037 4.357 4.320 0.001 0.000 0.215 342 A C 1.144 178.755 177.584 0.046 0.000 1.152 342 A CA 0.399 52.464 52.037 0.046 0.000 0.716 342 A CB -0.080 18.947 19.000 0.043 0.000 0.794 342 A HN 0.114 nan 8.150 nan 0.000 0.465 343 I N 0.781 121.394 120.570 0.071 0.000 2.464 343 I HA 0.211 4.382 4.170 0.001 0.000 0.277 343 I C -1.903 174.226 176.117 0.021 0.000 1.040 343 I CA -1.929 59.382 61.300 0.019 0.000 1.153 343 I CB 0.958 38.930 38.000 -0.046 0.000 1.274 343 I HN 0.029 nan 8.210 nan 0.000 0.469 344 P HA -0.062 nan 4.420 nan 0.000 0.219 344 P C 0.228 177.537 177.300 0.015 0.000 1.150 344 P CA 1.194 64.306 63.100 0.020 0.000 0.814 344 P CB 0.690 32.399 31.700 0.014 0.000 0.787 345 D N -0.760 119.628 120.400 -0.020 0.000 2.336 345 D HA 0.150 4.791 4.640 0.001 0.000 0.248 345 D C -1.986 174.238 176.300 -0.128 0.000 1.326 345 D CA -2.169 51.818 54.000 -0.021 0.000 0.973 345 D CB 1.226 42.037 40.800 0.019 0.000 1.255 345 D HN -0.078 nan 8.370 nan 0.000 0.558 346 P HA -0.079 nan 4.420 nan 0.000 0.230 346 P C 0.314 177.345 177.300 -0.448 0.000 1.158 346 P CA 0.720 63.518 63.100 -0.503 0.000 0.769 346 P CB 0.084 31.344 31.700 -0.733 0.000 0.807 347 H N -1.037 117.982 119.070 -0.084 0.000 2.538 347 H HA 0.218 4.774 4.556 0.001 0.000 0.286 347 H C 0.790 176.087 175.328 -0.052 0.000 1.035 347 H CA 0.046 56.056 56.048 -0.063 0.000 1.169 347 H CB -0.461 29.273 29.762 -0.046 0.000 1.417 347 H HN 0.176 nan 8.280 nan 0.000 0.567 348 N N 0.887 119.586 118.700 -0.000 0.000 2.646 348 N HA 0.160 4.900 4.740 0.001 0.000 0.296 348 N C -1.454 174.041 175.510 -0.024 0.000 1.886 348 N CA 0.005 53.056 53.050 0.002 0.000 0.855 348 N CB 0.516 39.009 38.487 0.010 0.000 1.336 348 N HN 0.106 nan 8.380 nan 0.000 0.496 349 L N 0.684 121.888 121.223 -0.032 0.000 2.386 349 L HA 0.485 4.826 4.340 0.001 0.000 0.271 349 L C 0.074 176.943 176.870 -0.002 0.000 0.993 349 L CA -0.715 54.102 54.840 -0.038 0.000 0.819 349 L CB 2.118 44.125 42.059 -0.087 0.000 1.294 349 L HN -0.001 nan 8.230 nan 0.000 0.414 350 T N 3.446 118.000 114.554 -0.000 0.000 2.869 350 T HA 0.566 4.917 4.350 0.001 0.000 0.295 350 T C -0.294 174.409 174.700 0.004 0.000 0.987 350 T CA -0.257 61.847 62.100 0.007 0.000 1.109 350 T CB 0.684 69.555 68.868 0.006 0.000 0.932 350 T HN 0.148 nan 8.240 nan 0.000 0.518 351 L N 4.189 125.408 121.223 -0.006 0.000 2.322 351 L HA 0.630 4.971 4.340 0.001 0.000 0.281 351 L C 0.410 177.240 176.870 -0.067 0.000 1.014 351 L CA -0.496 54.327 54.840 -0.028 0.000 0.815 351 L CB 1.359 43.391 42.059 -0.046 0.000 1.247 351 L HN 0.450 nan 8.230 nan 0.000 0.421 352 R N 1.039 121.500 120.500 -0.065 0.000 2.795 352 R HA 0.829 5.169 4.340 0.001 0.000 0.275 352 R C -1.147 175.039 176.300 -0.189 0.000 0.981 352 R CA -0.885 55.116 56.100 -0.164 0.000 0.917 352 R CB 2.414 32.604 30.300 -0.183 0.000 1.202 352 R HN 0.489 nan 8.270 nan 0.000 0.469 353 T N 1.960 116.292 114.554 -0.371 0.000 2.824 353 T HA 0.547 4.897 4.350 0.001 0.000 0.282 353 T C -0.976 173.365 174.700 -0.600 0.000 0.993 353 T CA -0.477 61.368 62.100 -0.424 0.000 0.967 353 T CB 0.664 69.115 68.868 -0.696 0.000 0.960 353 T HN 0.210 nan 8.240 nan 0.000 0.441 354 F N 1.399 121.212 119.950 -0.228 0.000 2.469 354 F HA 0.638 5.166 4.527 0.001 0.000 0.332 354 F C -0.106 175.596 175.800 -0.164 0.000 1.103 354 F CA -1.103 56.801 58.000 -0.159 0.000 0.979 354 F CB 1.614 40.557 39.000 -0.095 0.000 1.137 354 F HN 0.175 nan 8.300 nan 0.000 0.463 355 V N 3.337 123.273 119.914 0.036 0.000 2.409 355 V HA 0.272 4.392 4.120 0.001 0.000 0.291 355 V C -0.316 175.820 176.094 0.069 0.000 1.020 355 V CA -1.337 60.987 62.300 0.040 0.000 0.848 355 V CB 1.289 33.135 31.823 0.038 0.000 0.990 355 V HN 0.847 nan 8.190 nan 0.000 0.430 356 N N 4.144 122.881 118.700 0.061 0.000 2.716 356 N HA -0.246 4.494 4.740 0.001 0.000 0.250 356 N C 1.246 176.789 175.510 0.054 0.000 1.033 356 N CA 1.383 54.461 53.050 0.046 0.000 0.727 356 N CB -1.049 37.460 38.487 0.038 0.000 0.950 356 N HN 1.543 nan 8.380 nan 0.000 0.541 357 G N -0.652 108.196 108.800 0.079 0.000 2.205 357 G HA2 -0.377 3.583 3.960 0.001 0.000 0.261 357 G HA3 -0.377 3.583 3.960 0.001 0.000 0.261 357 G C -0.169 174.857 174.900 0.210 0.000 0.980 357 G CA 0.688 45.841 45.100 0.089 0.000 0.632 357 G HN 0.693 nan 8.290 nan 0.000 0.533 358 E N 0.390 120.691 120.200 0.167 0.000 2.259 358 E HA 0.472 4.823 4.350 0.001 0.000 0.281 358 E C 0.060 176.705 176.600 0.074 0.000 1.027 358 E CA -0.942 55.530 56.400 0.120 0.000 0.838 358 E CB 0.607 30.340 29.700 0.054 0.000 1.066 358 E HN 0.322 nan 8.360 nan 0.000 0.401 359 L N 5.719 126.928 121.223 -0.024 0.000 2.369 359 L HA 0.155 4.496 4.340 0.001 0.000 0.279 359 L C 0.633 177.355 176.870 -0.247 0.000 1.108 359 L CA 0.571 55.184 54.840 -0.379 0.000 0.852 359 L CB 0.321 42.176 42.059 -0.340 0.000 1.169 359 L HN 0.634 nan 8.230 nan 0.000 0.452 360 R N 2.685 123.006 120.500 -0.299 0.000 2.287 360 R HA 0.206 4.546 4.340 0.001 0.000 0.197 360 R C -0.127 176.108 176.300 -0.108 0.000 0.900 360 R CA -0.006 56.011 56.100 -0.138 0.000 1.052 360 R CB 0.633 30.905 30.300 -0.047 0.000 1.117 360 R HN 0.702 nan 8.270 nan 0.000 0.568 361 Q N 1.002 120.671 119.800 -0.218 0.000 2.305 361 Q HA 0.269 4.610 4.340 0.001 0.000 0.271 361 Q C -1.765 174.107 176.000 -0.212 0.000 1.046 361 Q CA -0.449 55.267 55.803 -0.144 0.000 0.798 361 Q CB 2.449 31.162 28.738 -0.042 0.000 1.286 361 Q HN -0.045 nan 8.270 nan 0.000 0.435 362 Q N 2.173 121.882 119.800 -0.152 0.000 2.309 362 Q HA 0.764 5.104 4.340 0.001 0.000 0.273 362 Q C -1.586 174.353 176.000 -0.102 0.000 1.040 362 Q CA -0.522 55.200 55.803 -0.135 0.000 0.834 362 Q CB 2.163 30.828 28.738 -0.121 0.000 1.345 362 Q HN 0.839 nan 8.270 nan 0.000 0.414 363 G N 0.475 109.221 108.800 -0.089 0.000 2.682 363 G HA2 0.592 4.552 3.960 0.001 0.000 0.303 363 G HA3 0.592 4.552 3.960 0.001 0.000 0.303 363 G C -1.623 173.286 174.900 0.014 0.000 1.341 363 G CA -0.206 44.864 45.100 -0.049 0.000 0.784 363 G HN 0.464 nan 8.290 nan 0.000 0.497 364 T N -1.736 112.875 114.554 0.095 0.000 2.909 364 T HA 0.496 4.847 4.350 0.001 0.000 0.299 364 T C 1.503 176.334 174.700 0.219 0.000 1.073 364 T CA 0.710 62.879 62.100 0.115 0.000 0.999 364 T CB 1.367 70.268 68.868 0.056 0.000 1.098 364 T HN 1.176 nan 8.240 nan 0.000 0.477 365 T N 1.336 115.976 114.554 0.143 0.000 3.098 365 T HA 0.082 4.433 4.350 0.001 0.000 0.266 365 T C 2.142 176.838 174.700 -0.007 0.000 1.145 365 T CA 0.925 63.059 62.100 0.056 0.000 1.092 365 T CB -0.421 68.451 68.868 0.007 0.000 0.908 365 T HN 0.697 nan 8.240 nan 0.000 0.526 366 A N 2.046 124.878 122.820 0.019 0.000 2.076 366 A HA -0.084 4.236 4.320 0.001 0.000 0.220 366 A C 1.905 179.455 177.584 -0.057 0.000 1.160 366 A CA 1.450 53.488 52.037 0.002 0.000 0.653 366 A CB -0.483 18.527 19.000 0.017 0.000 0.801 366 A HN 0.474 nan 8.150 nan 0.000 0.455 367 D N -0.472 119.874 120.400 -0.091 0.000 2.328 367 D HA 0.182 4.822 4.640 0.001 0.000 0.221 367 D C 0.177 176.243 176.300 -0.390 0.000 1.072 367 D CA -0.043 53.853 54.000 -0.174 0.000 0.850 367 D CB -0.125 40.621 40.800 -0.089 0.000 0.922 367 D HN 0.387 nan 8.370 nan 0.000 0.516 368 L N 1.059 121.989 121.223 -0.488 0.000 2.540 368 L HA 0.022 4.362 4.340 0.001 0.000 0.276 368 L C 1.838 178.471 176.870 -0.395 0.000 1.212 368 L CA -0.142 54.365 54.840 -0.555 0.000 0.893 368 L CB 0.936 42.806 42.059 -0.314 0.000 1.138 368 L HN -0.099 nan 8.230 nan 0.000 0.491 369 I N 2.248 122.554 120.570 -0.440 0.000 2.235 369 I HA -0.127 4.043 4.170 0.001 0.000 0.241 369 I C 0.276 175.903 176.117 -0.817 0.000 1.085 369 I CA 1.057 61.990 61.300 -0.612 0.000 1.378 369 I CB 0.064 37.643 38.000 -0.701 0.000 1.076 369 I HN 0.320 nan 8.210 nan 0.000 0.415 370 F N 1.631 121.402 119.950 -0.297 0.000 2.388 370 F HA 0.253 4.780 4.527 0.001 0.000 0.358 370 F C 0.942 176.663 175.800 -0.131 0.000 1.122 370 F CA -1.141 56.647 58.000 -0.353 0.000 1.056 370 F CB 0.787 39.572 39.000 -0.359 0.000 1.155 370 F HN -0.090 nan 8.300 nan 0.000 0.461 371 S N 1.497 117.244 115.700 0.078 0.000 2.596 371 S HA 0.217 4.688 4.470 0.001 0.000 0.260 371 S C 1.094 175.890 174.600 0.326 0.000 1.336 371 S CA -0.804 57.486 58.200 0.150 0.000 0.993 371 S CB 1.144 64.302 63.200 -0.070 0.000 0.923 371 S HN 0.383 nan 8.310 nan 0.000 0.567 372 V N 2.132 122.344 119.914 0.498 0.000 2.295 372 V HA -0.057 4.063 4.120 0.001 0.000 0.246 372 V C -0.668 175.568 176.094 0.236 0.000 1.049 372 V CA 1.802 64.283 62.300 0.301 0.000 1.024 372 V CB -1.919 30.041 31.823 0.228 0.000 0.648 372 V HN 0.746 nan 8.190 nan 0.000 0.447 373 P HA -0.188 nan 4.420 nan 0.000 0.216 373 P C 1.717 179.108 177.300 0.152 0.000 1.150 373 P CA 1.462 64.660 63.100 0.163 0.000 0.837 373 P CB -0.159 31.631 31.700 0.151 0.000 0.786 374 F N 0.250 120.245 119.950 0.075 0.000 2.134 374 F HA -0.160 4.368 4.527 0.001 0.000 0.299 374 F C 2.039 177.876 175.800 0.062 0.000 1.097 374 F CA 1.448 59.494 58.000 0.077 0.000 1.264 374 F CB -0.853 38.221 39.000 0.124 0.000 1.001 374 F HN -0.261 nan 8.300 nan 0.000 0.479 375 L N -0.252 121.156 121.223 0.309 0.000 2.056 375 L HA -0.220 4.121 4.340 0.001 0.000 0.207 375 L C 2.449 179.324 176.870 0.008 0.000 1.078 375 L CA 1.346 56.289 54.840 0.172 0.000 0.749 375 L CB -0.648 41.489 42.059 0.131 0.000 0.901 375 L HN 0.153 nan 8.230 nan 0.000 0.433 376 I N -0.175 120.378 120.570 -0.028 0.000 2.226 376 I HA -0.301 3.870 4.170 0.001 0.000 0.245 376 I C 2.775 178.777 176.117 -0.191 0.000 1.100 376 I CA 1.243 62.466 61.300 -0.128 0.000 1.374 376 I CB -0.448 37.502 38.000 -0.083 0.000 1.057 376 I HN 0.209 nan 8.210 nan 0.000 0.413 377 A N 0.077 122.798 122.820 -0.165 0.000 1.873 377 A HA -0.276 4.044 4.320 0.001 0.000 0.215 377 A C 2.303 179.740 177.584 -0.246 0.000 1.186 377 A CA 1.499 53.404 52.037 -0.220 0.000 0.616 377 A CB -1.066 17.801 19.000 -0.221 0.000 0.823 377 A HN 0.518 nan 8.150 nan 0.000 0.442 378 Y N 0.527 120.595 120.300 -0.387 0.000 2.128 378 Y HA -0.191 4.360 4.550 0.001 0.000 0.284 378 Y C 1.939 177.717 175.900 -0.204 0.000 1.154 378 Y CA 2.067 59.984 58.100 -0.306 0.000 1.149 378 Y CB -0.230 38.056 38.460 -0.290 0.000 0.976 378 Y HN 0.217 nan 8.280 nan 0.000 0.505 379 L N -0.508 120.519 121.223 -0.326 0.000 2.068 379 L HA -0.149 4.192 4.340 0.001 0.000 0.204 379 L C 2.674 179.015 176.870 -0.881 0.000 1.076 379 L CA 1.359 55.750 54.840 -0.749 0.000 0.753 379 L CB -0.847 40.822 42.059 -0.650 0.000 0.910 379 L HN 0.326 nan 8.230 nan 0.000 0.439 380 S N -1.008 114.364 115.700 -0.547 0.000 2.507 380 S HA -0.186 4.284 4.470 0.001 0.000 0.235 380 S C 1.788 176.152 174.600 -0.393 0.000 0.988 380 S CA 0.838 58.766 58.200 -0.453 0.000 0.944 380 S CB -0.309 62.666 63.200 -0.375 0.000 0.762 380 S HN 0.401 nan 8.310 nan 0.000 0.526 381 E N 1.441 121.416 120.200 -0.376 0.000 2.204 381 E HA -0.124 4.226 4.350 0.001 0.000 0.194 381 E C 1.147 177.651 176.600 -0.159 0.000 0.989 381 E CA 1.169 57.431 56.400 -0.231 0.000 0.824 381 E CB -0.093 29.497 29.700 -0.182 0.000 0.756 381 E HN 0.884 nan 8.360 nan 0.000 0.477 382 F N -0.728 119.049 119.950 -0.287 0.000 2.746 382 F HA 0.378 4.905 4.527 0.000 0.000 0.320 382 F C 0.310 175.969 175.800 -0.235 0.000 1.097 382 F CA -0.776 57.065 58.000 -0.266 0.000 1.195 382 F CB 0.076 38.895 39.000 -0.302 0.000 1.056 382 F HN -0.182 nan 8.300 nan 0.000 0.562 383 M N -0.259 118.988 119.600 -0.588 0.000 2.534 383 M HA 0.506 4.987 4.480 0.001 0.000 0.280 383 M C -1.329 174.796 176.300 -0.291 0.000 1.217 383 M CA -0.671 54.409 55.300 -0.367 0.000 0.893 383 M CB 1.897 34.297 32.600 -0.333 0.000 1.730 383 M HN -0.217 nan 8.290 nan 0.000 0.483 384 T N 3.449 117.918 114.554 -0.141 0.000 2.814 384 T HA 0.491 4.841 4.350 0.001 0.000 0.297 384 T C -0.054 174.621 174.700 -0.043 0.000 0.956 384 T CA -0.311 61.738 62.100 -0.085 0.000 1.123 384 T CB -0.021 68.843 68.868 -0.007 0.000 0.902 384 T HN 0.439 nan 8.240 nan 0.000 0.528 385 L N 4.378 125.553 121.223 -0.081 0.000 2.312 385 L HA 0.473 4.813 4.340 0.001 0.000 0.281 385 L C 0.466 177.365 176.870 0.049 0.000 1.070 385 L CA -0.702 54.124 54.840 -0.023 0.000 0.805 385 L CB 0.669 42.658 42.059 -0.116 0.000 1.174 385 L HN 0.606 nan 8.230 nan 0.000 0.434 386 N N 2.048 120.806 118.700 0.097 0.000 2.328 386 N HA 0.453 5.193 4.740 0.001 0.000 0.299 386 N C -2.716 172.862 175.510 0.114 0.000 1.179 386 N CA -1.513 51.620 53.050 0.139 0.000 0.793 386 N CB 1.673 40.301 38.487 0.235 0.000 1.366 386 N HN 0.320 nan 8.380 nan 0.000 0.493 387 P HA 0.044 nan 4.420 nan 0.000 0.261 387 P C 0.628 177.989 177.300 0.101 0.000 1.183 387 P CA 1.053 64.213 63.100 0.098 0.000 0.761 387 P CB 0.394 32.151 31.700 0.095 0.000 0.785 388 G N 2.231 111.084 108.800 0.088 0.000 2.234 388 G HA2 -0.195 3.765 3.960 0.001 0.000 0.235 388 G HA3 -0.195 3.765 3.960 0.001 0.000 0.235 388 G C 0.069 175.022 174.900 0.088 0.000 0.997 388 G CA -0.318 44.847 45.100 0.109 0.000 0.623 388 G HN 0.487 nan 8.290 nan 0.000 0.514 389 D N 0.811 121.253 120.400 0.070 0.000 2.443 389 D HA 0.476 5.116 4.640 0.001 0.000 0.234 389 D C 0.876 177.254 176.300 0.130 0.000 1.172 389 D CA 0.800 54.861 54.000 0.102 0.000 0.878 389 D CB 0.403 41.314 40.800 0.185 0.000 1.204 389 D HN 0.410 nan 8.370 nan 0.000 0.453 390 M N 1.096 120.800 119.600 0.174 0.000 2.457 390 M HA 0.471 4.951 4.480 0.001 0.000 0.300 390 M C -0.734 175.686 176.300 0.199 0.000 1.141 390 M CA -0.565 54.827 55.300 0.154 0.000 0.901 390 M CB 2.244 34.925 32.600 0.135 0.000 1.687 390 M HN 0.106 nan 8.290 nan 0.000 0.449 391 I N 2.115 122.763 120.570 0.130 0.000 2.411 391 I HA 0.478 4.648 4.170 0.001 0.000 0.284 391 I C -0.176 176.001 176.117 0.100 0.000 1.012 391 I CA -0.713 60.658 61.300 0.119 0.000 1.119 391 I CB 1.829 39.854 38.000 0.041 0.000 1.261 391 I HN 0.763 nan 8.210 nan 0.000 0.448 392 A N 3.808 126.678 122.820 0.082 0.000 2.376 392 A HA 0.356 4.677 4.320 0.001 0.000 0.298 392 A C 1.151 178.787 177.584 0.086 0.000 1.271 392 A CA -0.240 51.841 52.037 0.072 0.000 0.926 392 A CB -0.235 18.786 19.000 0.035 0.000 1.141 392 A HN 0.834 nan 8.150 nan 0.000 0.539 393 T N 0.127 114.755 114.554 0.124 0.000 3.129 393 T HA 0.474 4.824 4.350 0.001 0.000 0.251 393 T C 0.992 175.822 174.700 0.216 0.000 1.117 393 T CA 0.609 62.796 62.100 0.145 0.000 1.034 393 T CB -0.541 68.406 68.868 0.131 0.000 0.968 393 T HN 2.293 nan 8.240 nan 0.000 0.526 394 G N -0.320 108.624 108.800 0.239 0.000 2.422 394 G HA2 0.230 4.191 3.960 0.001 0.000 0.607 394 G HA3 0.230 4.191 3.960 0.001 0.000 0.607 394 G C -0.745 174.322 174.900 0.279 0.000 1.270 394 G CA -0.435 44.846 45.100 0.302 0.000 0.992 394 G HN 0.617 nan 8.290 nan 0.000 0.499 395 T N 1.992 116.614 114.554 0.114 0.000 2.933 395 T HA 0.768 5.118 4.350 0.001 0.000 0.305 395 T C -2.582 171.724 174.700 -0.656 0.000 1.092 395 T CA -0.436 61.496 62.100 -0.280 0.000 1.008 395 T CB 2.305 71.137 68.868 -0.061 0.000 1.102 395 T HN 0.619 nan 8.240 nan 0.000 0.469 396 P HA 0.289 nan 4.420 nan 0.000 0.275 396 P C -0.443 176.700 177.300 -0.261 0.000 1.266 396 P CA -0.443 62.246 63.100 -0.685 0.000 0.793 396 P CB 0.443 31.781 31.700 -0.602 0.000 1.074 397 K N -1.349 118.962 120.400 -0.149 0.000 2.286 397 K HA 0.414 4.734 4.320 0.001 0.000 0.256 397 K C 1.138 177.697 176.600 -0.069 0.000 0.999 397 K CA 0.450 56.685 56.287 -0.087 0.000 0.908 397 K CB -1.116 31.350 32.500 -0.057 0.000 0.981 397 K HN 1.096 nan 8.250 nan 0.000 0.500 398 G N 0.125 108.902 108.800 -0.039 0.000 2.455 398 G HA2 -0.130 3.830 3.960 0.001 0.000 0.169 398 G HA3 -0.130 3.830 3.960 0.001 0.000 0.169 398 G C -0.371 174.575 174.900 0.075 0.000 1.074 398 G CA -0.465 44.641 45.100 0.010 0.000 0.796 398 G HN 0.389 nan 8.290 nan 0.000 0.489 399 L N 0.792 121.991 121.223 -0.041 0.000 2.379 399 L HA 0.846 5.186 4.340 0.001 0.000 0.269 399 L C 0.883 177.688 176.870 -0.109 0.000 1.084 399 L CA -0.131 54.579 54.840 -0.216 0.000 0.802 399 L CB 1.750 43.547 42.059 -0.435 0.000 1.175 399 L HN 0.643 nan 8.230 nan 0.000 0.448 400 S N -0.900 114.624 115.700 -0.292 0.000 2.588 400 S HA 0.313 4.784 4.470 0.001 0.000 0.269 400 S C -1.309 173.043 174.600 -0.414 0.000 1.157 400 S CA -1.110 57.005 58.200 -0.141 0.000 0.824 400 S CB 1.776 65.022 63.200 0.077 0.000 1.126 400 S HN 0.584 nan 8.310 nan 0.000 0.464 401 D N 0.600 120.723 120.400 -0.462 0.000 2.389 401 D HA 0.459 5.099 4.640 0.001 0.000 0.247 401 D C -0.025 176.179 176.300 -0.160 0.000 1.128 401 D CA 0.040 53.736 54.000 -0.508 0.000 0.884 401 D CB 1.134 41.709 40.800 -0.375 0.000 1.194 401 D HN 0.874 nan 8.370 nan 0.000 0.441 402 V N 1.804 121.648 119.914 -0.116 0.000 2.823 402 V HA 0.840 4.961 4.120 0.001 0.000 0.312 402 V C -0.263 175.802 176.094 -0.049 0.000 1.072 402 V CA -0.857 61.442 62.300 -0.002 0.000 0.937 402 V CB 1.357 33.258 31.823 0.130 0.000 1.013 402 V HN 0.471 nan 8.190 nan 0.000 0.430 403 V N 0.089 119.989 119.914 -0.024 0.000 3.130 403 V HA 0.804 4.925 4.120 0.001 0.000 0.310 403 V C -2.934 173.145 176.094 -0.025 0.000 1.158 403 V CA -2.895 59.383 62.300 -0.036 0.000 1.029 403 V CB 1.681 33.490 31.823 -0.023 0.000 1.057 403 V HN 0.755 nan 8.190 nan 0.000 0.436 404 P HA 0.313 nan 4.420 nan 0.000 0.265 404 P C 1.007 178.303 177.300 -0.007 0.000 1.187 404 P CA 2.231 65.318 63.100 -0.021 0.000 0.766 404 P CB 0.654 32.342 31.700 -0.020 0.000 0.820 405 G N 1.723 110.522 108.800 -0.002 0.000 2.258 405 G HA2 -0.197 3.764 3.960 0.001 0.000 0.233 405 G HA3 -0.197 3.764 3.960 0.001 0.000 0.233 405 G C -0.033 174.876 174.900 0.014 0.000 1.006 405 G CA -0.235 44.868 45.100 0.005 0.000 0.620 405 G HN 0.515 nan 8.290 nan 0.000 0.511 406 D N 1.218 121.629 120.400 0.018 0.000 2.389 406 D HA 0.470 5.111 4.640 0.001 0.000 0.247 406 D C 0.347 176.675 176.300 0.046 0.000 1.128 406 D CA 0.224 54.245 54.000 0.035 0.000 0.884 406 D CB 1.197 42.026 40.800 0.048 0.000 1.194 406 D HN 0.507 nan 8.370 nan 0.000 0.441 407 E N 1.388 121.616 120.200 0.047 0.000 2.113 407 E HA 0.387 4.737 4.350 0.001 0.000 0.273 407 E C -1.373 175.265 176.600 0.064 0.000 0.924 407 E CA -0.706 55.725 56.400 0.051 0.000 0.764 407 E CB 0.892 30.610 29.700 0.031 0.000 1.104 407 E HN 0.069 nan 8.360 nan 0.000 0.406 408 V N 5.295 125.260 119.914 0.086 0.000 2.384 408 V HA 0.330 4.450 4.120 0.001 0.000 0.287 408 V C -0.437 175.687 176.094 0.049 0.000 1.020 408 V CA -0.779 61.565 62.300 0.073 0.000 0.850 408 V CB 1.581 33.503 31.823 0.165 0.000 0.987 408 V HN 0.483 nan 8.190 nan 0.000 0.436 409 V N 5.938 125.874 119.914 0.037 0.000 2.409 409 V HA 0.573 4.693 4.120 0.001 0.000 0.291 409 V C -0.128 176.001 176.094 0.058 0.000 1.020 409 V CA -0.644 61.687 62.300 0.052 0.000 0.848 409 V CB 1.892 33.746 31.823 0.051 0.000 0.990 409 V HN 0.738 nan 8.190 nan 0.000 0.430 410 V N 1.752 121.678 119.914 0.021 0.000 2.769 410 V HA 0.856 4.976 4.120 0.001 0.000 0.312 410 V C -0.589 175.531 176.094 0.043 0.000 1.058 410 V CA -0.555 61.748 62.300 0.005 0.000 0.952 410 V CB 1.956 33.755 31.823 -0.040 0.000 1.019 410 V HN 0.948 nan 8.190 nan 0.000 0.445 411 E N 1.776 122.006 120.200 0.051 0.000 2.304 411 E HA 0.671 5.021 4.350 0.001 0.000 0.277 411 E C -2.049 174.573 176.600 0.037 0.000 0.898 411 E CA -0.618 55.818 56.400 0.060 0.000 0.764 411 E CB 2.618 32.391 29.700 0.122 0.000 1.216 411 E HN 0.736 nan 8.360 nan 0.000 0.419 412 V N 3.790 123.720 119.914 0.026 0.000 2.444 412 V HA 0.210 4.331 4.120 0.001 0.000 0.294 412 V C 0.006 176.103 176.094 0.005 0.000 1.022 412 V CA -0.833 61.474 62.300 0.012 0.000 0.850 412 V CB 1.543 33.370 31.823 0.007 0.000 0.992 412 V HN 0.741 nan 8.190 nan 0.000 0.426 413 E N 3.336 123.537 120.200 0.000 0.000 2.694 413 E HA 0.129 4.479 4.350 0.001 0.000 0.250 413 E C 1.330 177.918 176.600 -0.020 0.000 0.963 413 E CA 1.186 57.584 56.400 -0.004 0.000 0.949 413 E CB 0.225 29.921 29.700 -0.007 0.000 0.911 413 E HN 1.146 nan 8.360 nan 0.000 0.500 414 G N 2.626 111.421 108.800 -0.010 0.000 2.212 414 G HA2 -0.303 3.658 3.960 0.001 0.000 0.266 414 G HA3 -0.303 3.658 3.960 0.001 0.000 0.266 414 G C 0.679 175.579 174.900 -0.000 0.000 0.978 414 G CA 0.405 45.499 45.100 -0.010 0.000 0.632 414 G HN 0.496 nan 8.290 nan 0.000 0.537 415 V N -0.704 119.212 119.914 0.004 0.000 3.090 415 V HA 0.687 4.807 4.120 0.001 0.000 0.237 415 V C 1.346 177.460 176.094 0.033 0.000 1.209 415 V CA 1.633 63.949 62.300 0.026 0.000 1.209 415 V CB 0.668 32.506 31.823 0.024 0.000 0.971 415 V HN 1.775 nan 8.190 nan 0.000 0.477 416 G N 0.056 108.872 108.800 0.027 0.000 2.321 416 G HA2 0.447 4.408 3.960 0.001 0.000 0.298 416 G HA3 0.447 4.408 3.960 0.001 0.000 0.298 416 G C -1.657 173.259 174.900 0.026 0.000 1.385 416 G CA -0.772 44.345 45.100 0.028 0.000 0.856 416 G HN 0.188 nan 8.290 nan 0.000 0.584 417 R N -0.335 120.178 120.500 0.022 0.000 2.480 417 R HA 0.714 5.055 4.340 0.001 0.000 0.306 417 R C -1.735 174.577 176.300 0.020 0.000 0.958 417 R CA -0.817 55.294 56.100 0.018 0.000 0.861 417 R CB 1.556 31.855 30.300 -0.001 0.000 1.171 417 R HN 0.641 nan 8.270 nan 0.000 0.445 418 L N 5.502 126.740 121.223 0.024 0.000 2.372 418 L HA 0.446 4.786 4.340 0.001 0.000 0.274 418 L C -1.519 175.367 176.870 0.027 0.000 0.988 418 L CA -0.574 54.283 54.840 0.028 0.000 0.833 418 L CB 2.008 44.086 42.059 0.031 0.000 1.236 418 L HN 0.401 nan 8.230 nan 0.000 0.410 419 V N 4.756 124.688 119.914 0.029 0.000 2.539 419 V HA 0.634 4.755 4.120 0.001 0.000 0.292 419 V C -0.244 175.884 176.094 0.056 0.000 1.045 419 V CA -0.556 61.764 62.300 0.034 0.000 0.945 419 V CB 1.715 33.550 31.823 0.020 0.000 0.993 419 V HN 0.900 nan 8.190 nan 0.000 0.464 420 N N 2.653 121.399 118.700 0.077 0.000 2.396 420 N HA 0.554 5.295 4.740 0.001 0.000 0.275 420 N C -1.306 174.265 175.510 0.101 0.000 1.218 420 N CA -0.792 52.325 53.050 0.112 0.000 0.812 420 N CB 2.191 40.800 38.487 0.202 0.000 1.592 420 N HN 0.602 nan 8.380 nan 0.000 0.480 421 R N 2.128 122.676 120.500 0.081 0.000 2.439 421 R HA 0.511 4.852 4.340 0.001 0.000 0.310 421 R C -0.537 175.779 176.300 0.026 0.000 0.955 421 R CA -0.865 55.267 56.100 0.052 0.000 0.853 421 R CB 1.225 31.543 30.300 0.031 0.000 1.171 421 R HN 0.464 nan 8.270 nan 0.000 0.449 422 I N 4.300 124.876 120.570 0.010 0.000 2.529 422 I HA 0.187 4.358 4.170 0.001 0.000 0.284 422 I C 0.686 176.782 176.117 -0.034 0.000 1.082 422 I CA -0.243 61.029 61.300 -0.046 0.000 1.406 422 I CB 0.925 38.888 38.000 -0.062 0.000 1.405 422 I HN 0.393 nan 8.210 nan 0.000 0.548 423 V N 2.612 122.498 119.914 -0.047 0.000 3.102 423 V HA 0.778 4.899 4.120 0.001 0.000 0.312 423 V C 0.050 176.123 176.094 -0.036 0.000 1.135 423 V CA -0.858 61.424 62.300 -0.030 0.000 1.022 423 V CB 1.576 33.388 31.823 -0.018 0.000 1.056 423 V HN 0.824 nan 8.190 nan 0.000 0.436 424 S N 0.155 115.841 115.700 -0.023 0.000 2.645 424 S HA 0.383 4.853 4.470 0.001 0.000 0.266 424 S C 0.726 175.318 174.600 -0.014 0.000 1.258 424 S CA 0.097 58.285 58.200 -0.020 0.000 0.990 424 S CB 0.984 64.177 63.200 -0.012 0.000 0.967 424 S HN 0.846 nan 8.310 nan 0.000 0.556 425 E N 0.363 120.558 120.200 -0.008 0.000 2.085 425 E HA -0.216 4.134 4.350 0.001 0.000 0.194 425 E C 1.800 178.400 176.600 0.000 0.000 0.994 425 E CA 1.505 57.905 56.400 -0.000 0.000 0.801 425 E CB -0.169 29.536 29.700 0.008 0.000 0.743 425 E HN 0.823 nan 8.360 nan 0.000 0.453 426 E N 0.622 120.822 120.200 -0.000 0.000 2.077 426 E HA -0.137 4.214 4.350 0.001 0.000 0.193 426 E C 1.951 178.551 176.600 -0.000 0.000 0.989 426 E CA 1.715 58.115 56.400 0.001 0.000 0.800 426 E CB -0.292 29.409 29.700 0.001 0.000 0.746 426 E HN 0.042 nan 8.360 nan 0.000 0.452 427 T N -0.079 114.473 114.554 -0.002 0.000 2.821 427 T HA -0.037 4.314 4.350 0.001 0.000 0.267 427 T C 1.686 176.385 174.700 -0.002 0.000 1.046 427 T CA 1.356 63.454 62.100 -0.002 0.000 1.139 427 T CB -0.380 68.486 68.868 -0.004 0.000 0.871 427 T HN 0.342 nan 8.240 nan 0.000 0.454 428 A N 1.701 124.519 122.820 -0.003 0.000 2.167 428 A HA 0.060 4.380 4.320 0.001 0.000 0.214 428 A C 1.289 178.873 177.584 -0.000 0.000 1.151 428 A CA 0.419 52.455 52.037 -0.002 0.000 0.735 428 A CB -0.353 18.645 19.000 -0.004 0.000 0.802 428 A HN 0.674 nan 8.150 nan 0.000 0.467 429 K N 0.000 120.400 120.400 0.000 0.000 2.780 429 K HA 0.000 4.320 4.320 0.001 0.000 0.191 429 K CA 0.000 56.288 56.287 0.001 0.000 0.838 429 K CB 0.000 32.501 32.500 0.001 0.000 1.064 429 K HN 0.000 nan 8.250 nan 0.000 0.543