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 3iem_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRIVPFGAAR EVTGSAHLLL AGGRRVLLDC GMFQGKEEAR NHAPFGFDPK DATA SEQUENCE EVDAVLLTHA HLDHVGRLPK LFREGYRGPV YATRATVLLM EIVLEDALKV DATA SEQUENCE MDEPFFGPED VEEALGHLRP LEYGEWLRLG ALSLAFGQAG HLPGSAFVVA DATA SEQUENCE QGEGRTLVYS GDLGNREKDV LPDPSLPPLA DLVLAEGTYG DRPHRPYRET DATA SEQUENCE VREFLEILEK TLSQGGKVLI PTFAVERAQE ILYVLYTHGH RLPRAPIYLD DATA SEQUENCE SPMAGRVLSL YPRLVRYFSE EVQAHFLQGK NPFRPAGLEV VEHTEASKAL DATA SEQUENCE NRAPGPMVVL AGSGMLAGGR ILHHLKHGLS DPRNALVFVG YQPQGGLGAE DATA SEQUENCE IIARPPAVRI LGEEVPLRAS VHTLGGFSGH AGQDELLDWL QGEPRVVLVH DATA SEQUENCE GEEEKLLALG KLLALRGQEV SLARFGEGVP V 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 0.000 176.290 176.300 -0.016 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.010 0.000 0.988 1 M CB 0.000 32.598 32.600 -0.003 0.000 1.302 2 R N 2.532 123.018 120.500 -0.023 0.000 2.774 2 R HA 0.829 5.174 4.340 0.009 0.000 0.272 2 R C -1.776 174.496 176.300 -0.047 0.000 1.000 2 R CA -0.890 55.189 56.100 -0.034 0.000 0.906 2 R CB 2.790 33.069 30.300 -0.035 0.000 1.227 2 R HN 0.647 nan 8.270 nan 0.000 0.468 3 I N 1.226 121.757 120.570 -0.065 0.000 2.499 3 I HA 0.342 4.517 4.170 0.009 0.000 0.288 3 I C -1.513 174.528 176.117 -0.127 0.000 1.048 3 I CA -0.594 60.653 61.300 -0.087 0.000 1.062 3 I CB 2.178 40.124 38.000 -0.090 0.000 1.238 3 I HN 0.292 nan 8.210 nan 0.000 0.426 4 V N 9.420 129.241 119.914 -0.155 0.000 2.357 4 V HA 0.511 4.636 4.120 0.009 0.000 0.284 4 V C -2.317 173.529 176.094 -0.412 0.000 1.018 4 V CA -1.721 60.386 62.300 -0.321 0.000 0.841 4 V CB 1.326 32.923 31.823 -0.376 0.000 0.991 4 V HN 0.623 nan 8.190 nan 0.000 0.437 5 P HA 0.275 nan 4.420 nan 0.000 0.271 5 P C -0.487 176.433 177.300 -0.633 0.000 1.220 5 P CA 0.141 63.153 63.100 -0.147 0.000 0.768 5 P CB 0.290 31.947 31.700 -0.071 0.000 0.848 6 F N 2.115 121.930 119.950 -0.225 0.000 2.815 6 F HA 0.507 5.038 4.527 0.007 0.000 0.323 6 F C 0.950 176.823 175.800 0.121 0.000 1.151 6 F CA 0.117 57.928 58.000 -0.314 0.000 1.191 6 F CB 0.701 39.653 39.000 -0.081 0.000 1.069 6 F HN 0.428 nan 8.300 nan 0.000 0.514 7 G N -1.322 107.634 108.800 0.259 0.000 2.328 7 G HA2 0.495 4.461 3.960 0.009 0.000 0.295 7 G HA3 0.495 4.461 3.960 0.009 0.000 0.295 7 G C -0.104 174.917 174.900 0.201 0.000 1.413 7 G CA -0.042 45.233 45.100 0.293 0.000 0.817 7 G HN 0.674 nan 8.290 nan 0.000 0.546 8 A N -2.012 120.912 122.820 0.173 0.000 2.799 8 A HA 0.265 4.591 4.320 0.009 0.000 0.287 8 A C 1.015 178.717 177.584 0.197 0.000 1.484 8 A CA 1.861 53.987 52.037 0.149 0.000 0.813 8 A CB -1.545 17.561 19.000 0.176 0.000 1.009 8 A HN 2.587 nan 8.150 nan 0.000 0.545 9 A N -0.752 122.203 122.820 0.225 0.000 2.249 9 A HA 0.693 5.018 4.320 0.009 0.000 0.314 9 A C 1.065 178.720 177.584 0.119 0.000 1.290 9 A CA 0.250 52.394 52.037 0.178 0.000 0.893 9 A CB 0.170 19.306 19.000 0.226 0.000 1.165 9 A HN 1.460 nan 8.150 nan 0.000 0.530 10 R N -0.238 120.307 120.500 0.076 0.000 3.863 10 R HA -0.222 4.124 4.340 0.009 0.000 0.313 10 R C 0.046 176.362 176.300 0.026 0.000 1.202 10 R CA 2.013 58.137 56.100 0.041 0.000 0.852 10 R CB -2.102 28.219 30.300 0.035 0.000 1.292 10 R HN 1.028 nan 8.270 nan 0.000 0.519 11 E N -2.656 117.562 120.200 0.030 0.000 2.437 11 E HA 0.422 4.777 4.350 0.009 0.000 0.280 11 E C 0.339 176.895 176.600 -0.073 0.000 1.044 11 E CA -0.484 55.916 56.400 0.000 0.000 0.826 11 E CB 0.969 30.702 29.700 0.055 0.000 1.358 11 E HN 0.002 nan 8.360 nan 0.000 0.459 12 V N -1.816 118.000 119.914 -0.163 0.000 2.949 12 V HA 0.120 4.245 4.120 0.009 0.000 0.245 12 V C 0.919 176.748 176.094 -0.441 0.000 1.086 12 V CA 1.573 63.595 62.300 -0.464 0.000 1.097 12 V CB -0.160 31.384 31.823 -0.465 0.000 0.762 12 V HN 0.785 nan 8.190 nan 0.000 0.470 13 T N -2.461 112.008 114.554 -0.142 0.000 2.881 13 T HA 0.634 4.989 4.350 0.009 0.000 0.278 13 T C 1.120 175.698 174.700 -0.202 0.000 0.982 13 T CA 0.396 62.439 62.100 -0.096 0.000 0.989 13 T CB 0.943 69.820 68.868 0.014 0.000 1.058 13 T HN 1.797 nan 8.240 nan 0.000 0.529 14 G N 0.391 108.900 108.800 -0.484 0.000 2.159 14 G HA2 -0.238 3.727 3.960 0.009 0.000 0.227 14 G HA3 -0.238 3.727 3.960 0.009 0.000 0.227 14 G C 0.257 174.843 174.900 -0.524 0.000 0.986 14 G CA -0.053 44.431 45.100 -1.026 0.000 0.651 14 G HN 1.079 nan 8.290 nan 0.000 0.523 15 S N 0.627 116.115 115.700 -0.352 0.000 2.784 15 S HA 0.408 4.883 4.470 0.009 0.000 0.322 15 S C 0.560 174.895 174.600 -0.441 0.000 1.234 15 S CA 1.187 59.158 58.200 -0.382 0.000 1.064 15 S CB 0.553 63.423 63.200 -0.550 0.000 0.787 15 S HN 1.993 nan 8.310 nan 0.000 0.506 16 A N 4.607 127.013 122.820 -0.690 0.000 2.521 16 A HA 0.529 4.854 4.320 0.009 0.000 0.298 16 A C -1.320 175.843 177.584 -0.703 0.000 1.044 16 A CA -0.823 50.932 52.037 -0.469 0.000 0.911 16 A CB 0.696 19.632 19.000 -0.106 0.000 1.376 16 A HN 0.881 nan 8.150 nan 0.000 0.392 17 H N 1.584 120.551 119.070 -0.170 0.000 2.744 17 H HA 0.472 5.033 4.556 0.008 0.000 0.339 17 H C -0.668 174.536 175.328 -0.208 0.000 1.004 17 H CA -0.549 55.374 56.048 -0.207 0.000 1.257 17 H CB 1.883 31.403 29.762 -0.403 0.000 1.552 17 H HN 0.590 nan 8.280 nan 0.000 0.522 18 L N 4.187 125.384 121.223 -0.042 0.000 2.325 18 L HA 0.157 4.503 4.340 0.009 0.000 0.284 18 L C -0.698 176.107 176.870 -0.108 0.000 1.089 18 L CA -0.738 54.003 54.840 -0.164 0.000 0.836 18 L CB 0.276 42.225 42.059 -0.182 0.000 1.184 18 L HN 0.454 nan 8.230 nan 0.000 0.444 19 L N 6.709 127.865 121.223 -0.111 0.000 2.265 19 L HA 0.367 4.713 4.340 0.009 0.000 0.288 19 L C -0.731 176.099 176.870 -0.067 0.000 1.058 19 L CA 0.134 54.932 54.840 -0.071 0.000 0.809 19 L CB 0.955 42.988 42.059 -0.044 0.000 1.179 19 L HN 0.411 nan 8.230 nan 0.000 0.429 20 L N 6.753 127.946 121.223 -0.050 0.000 2.301 20 L HA 0.872 5.217 4.340 0.009 0.000 0.278 20 L C -0.219 176.636 176.870 -0.025 0.000 1.022 20 L CA -0.300 54.516 54.840 -0.039 0.000 0.854 20 L CB 0.798 42.837 42.059 -0.034 0.000 1.226 20 L HN 0.875 nan 8.230 nan 0.000 0.429 21 A N 1.428 124.236 122.820 -0.020 0.000 2.567 21 A HA 0.644 4.969 4.320 0.009 0.000 0.291 21 A C 0.478 178.057 177.584 -0.009 0.000 1.048 21 A CA 0.111 52.141 52.037 -0.011 0.000 0.661 21 A CB 0.921 19.917 19.000 -0.006 0.000 1.288 21 A HN 0.835 nan 8.150 nan 0.000 0.424 22 G N -0.685 108.112 108.800 -0.006 0.000 2.196 22 G HA2 0.203 4.168 3.960 0.009 0.000 0.268 22 G HA3 0.203 4.168 3.960 0.009 0.000 0.268 22 G C 1.725 176.622 174.900 -0.006 0.000 0.975 22 G CA 1.732 46.828 45.100 -0.006 0.000 0.648 22 G HN 3.000 nan 8.290 nan 0.000 0.538 23 G N -2.061 106.735 108.800 -0.006 0.000 2.163 23 G HA2 -0.062 3.903 3.960 0.009 0.000 0.213 23 G HA3 -0.062 3.903 3.960 0.009 0.000 0.213 23 G C 0.243 175.140 174.900 -0.005 0.000 0.991 23 G CA 0.881 45.978 45.100 -0.005 0.000 0.653 23 G HN 1.091 nan 8.290 nan 0.000 0.518 24 R N -0.569 119.927 120.500 -0.008 0.000 2.888 24 R HA 0.727 5.072 4.340 0.009 0.000 0.264 24 R C -0.252 176.034 176.300 -0.024 0.000 1.045 24 R CA -0.951 55.144 56.100 -0.009 0.000 0.962 24 R CB 0.857 31.156 30.300 -0.001 0.000 1.210 24 R HN 0.288 nan 8.270 nan 0.000 0.479 25 R N 0.499 120.978 120.500 -0.036 0.000 2.388 25 R HA 0.487 4.832 4.340 0.009 0.000 0.314 25 R C -0.811 175.433 176.300 -0.094 0.000 0.959 25 R CA -0.689 55.365 56.100 -0.076 0.000 0.851 25 R CB 1.828 32.070 30.300 -0.097 0.000 1.168 25 R HN 0.173 nan 8.270 nan 0.000 0.472 26 V N 4.873 124.728 119.914 -0.098 0.000 2.384 26 V HA 0.241 4.366 4.120 0.009 0.000 0.287 26 V C -0.363 175.641 176.094 -0.150 0.000 1.020 26 V CA -0.902 61.343 62.300 -0.092 0.000 0.850 26 V CB 1.607 33.406 31.823 -0.040 0.000 0.987 26 V HN 0.515 nan 8.190 nan 0.000 0.436 27 L N 6.426 127.523 121.223 -0.211 0.000 2.290 27 L HA 0.472 4.817 4.340 0.009 0.000 0.284 27 L C -0.572 176.226 176.870 -0.120 0.000 1.078 27 L CA 0.067 54.748 54.840 -0.264 0.000 0.815 27 L CB 0.915 42.733 42.059 -0.403 0.000 1.162 27 L HN 0.457 nan 8.230 nan 0.000 0.435 28 L N 6.029 127.199 121.223 -0.088 0.000 2.264 28 L HA 0.485 4.830 4.340 0.009 0.000 0.287 28 L C -0.361 176.529 176.870 0.033 0.000 1.039 28 L CA 0.107 54.970 54.840 0.037 0.000 0.829 28 L CB -0.200 41.856 42.059 -0.005 0.000 1.211 28 L HN 0.701 nan 8.230 nan 0.000 0.427 29 D N 1.379 121.842 120.400 0.104 0.000 10.640 29 D HA -0.253 4.392 4.640 0.009 0.000 0.360 29 D C -0.366 175.899 176.300 -0.058 0.000 3.073 29 D CA 0.436 54.471 54.000 0.058 0.000 2.519 29 D CB -0.231 40.612 40.800 0.072 0.000 1.179 29 D HN 0.680 nan 8.370 nan 0.000 0.978 30 C N 1.930 121.198 119.300 -0.053 0.000 2.629 30 C HA 0.532 4.998 4.460 0.009 0.000 0.252 30 C C 0.488 175.479 174.990 0.002 0.000 0.933 30 C CA 0.447 59.451 59.018 -0.023 0.000 0.891 30 C CB -0.745 26.988 27.740 -0.013 0.000 1.708 30 C HN 0.724 nan 8.230 nan 0.000 0.711 31 G N 2.450 111.197 108.800 -0.089 0.000 2.528 31 G HA2 0.611 4.576 3.960 0.009 0.000 0.289 31 G HA3 0.611 4.576 3.960 0.009 0.000 0.289 31 G C -0.163 174.656 174.900 -0.135 0.000 1.192 31 G CA -0.466 44.588 45.100 -0.076 0.000 0.921 31 G HN 0.905 nan 8.290 nan 0.000 0.512 32 M N -0.670 118.898 119.600 -0.054 0.000 2.371 32 M HA 0.725 5.210 4.480 0.009 0.000 0.301 32 M C -1.192 174.982 176.300 -0.209 0.000 1.173 32 M CA -0.531 54.725 55.300 -0.073 0.000 1.020 32 M CB 1.232 33.952 32.600 0.200 0.000 1.490 32 M HN 0.212 nan 8.290 nan 0.000 0.485 33 F N 0.876 120.816 119.950 -0.016 0.000 2.379 33 F HA 0.474 5.005 4.527 0.007 0.000 0.332 33 F C 0.163 175.968 175.800 0.008 0.000 1.096 33 F CA -0.003 57.984 58.000 -0.022 0.000 1.105 33 F CB 1.368 40.325 39.000 -0.071 0.000 1.189 33 F HN 0.587 nan 8.300 nan 0.000 0.515 34 Q N 0.747 120.667 119.800 0.200 0.000 2.421 34 Q HA 0.626 4.971 4.340 0.009 0.000 0.280 34 Q C 0.172 176.244 176.000 0.121 0.000 1.085 34 Q CA -0.471 55.419 55.803 0.145 0.000 0.807 34 Q CB 2.729 31.539 28.738 0.120 0.000 1.405 34 Q HN 0.897 nan 8.270 nan 0.000 0.419 35 G N 1.322 110.184 108.800 0.104 0.000 2.662 35 G HA2 -0.305 3.660 3.960 0.009 0.000 0.236 35 G HA3 -0.305 3.660 3.960 0.009 0.000 0.236 35 G C 0.201 175.136 174.900 0.059 0.000 1.212 35 G CA 0.131 45.281 45.100 0.082 0.000 0.968 35 G HN 0.551 nan 8.290 nan 0.000 0.576 36 K N 1.042 121.464 120.400 0.038 0.000 2.296 36 K HA 0.108 4.433 4.320 0.009 0.000 0.200 36 K C 1.825 178.414 176.600 -0.019 0.000 1.048 36 K CA 1.281 57.574 56.287 0.008 0.000 0.966 36 K CB 0.019 32.517 32.500 -0.003 0.000 0.754 36 K HN 0.383 nan 8.250 nan 0.000 0.466 37 E N 1.124 121.316 120.200 -0.014 0.000 2.481 37 E HA -0.117 4.239 4.350 0.009 0.000 0.195 37 E C 1.424 177.992 176.600 -0.053 0.000 1.047 37 E CA 0.349 56.693 56.400 -0.094 0.000 0.867 37 E CB 0.159 29.794 29.700 -0.110 0.000 0.858 37 E HN 0.370 nan 8.360 nan 0.000 0.513 38 E N 1.302 121.525 120.200 0.039 0.000 2.136 38 E HA -0.279 4.076 4.350 0.009 0.000 0.202 38 E C 1.866 178.474 176.600 0.014 0.000 1.019 38 E CA 1.461 57.898 56.400 0.062 0.000 0.819 38 E CB 0.002 29.757 29.700 0.091 0.000 0.739 38 E HN 0.244 nan 8.360 nan 0.000 0.458 39 A N 0.883 123.708 122.820 0.009 0.000 1.978 39 A HA -0.193 4.133 4.320 0.009 0.000 0.220 39 A C 2.006 179.569 177.584 -0.034 0.000 1.170 39 A CA 1.343 53.408 52.037 0.048 0.000 0.636 39 A CB -0.467 18.524 19.000 -0.015 0.000 0.810 39 A HN 0.194 nan 8.150 nan 0.000 0.448 40 R N -0.324 120.071 120.500 -0.174 0.000 2.241 40 R HA -0.118 4.228 4.340 0.009 0.000 0.224 40 R C 1.339 177.498 176.300 -0.234 0.000 1.101 40 R CA 1.327 57.250 56.100 -0.295 0.000 0.995 40 R CB -0.485 29.401 30.300 -0.690 0.000 0.870 40 R HN 0.721 nan 8.270 nan 0.000 0.463 41 N N -0.507 118.010 118.700 -0.305 0.000 2.396 41 N HA -0.103 4.642 4.740 0.009 0.000 0.180 41 N C 1.259 176.270 175.510 -0.832 0.000 1.028 41 N CA 0.458 53.056 53.050 -0.754 0.000 0.893 41 N CB 0.051 37.640 38.487 -1.498 0.000 0.967 41 N HN 0.287 nan 8.380 nan 0.000 0.440 42 H N -0.034 118.805 119.070 -0.386 0.000 2.535 42 H HA 0.226 4.787 4.556 0.008 0.000 0.273 42 H C 0.772 175.994 175.328 -0.176 0.000 0.983 42 H CA 0.243 56.178 56.048 -0.190 0.000 1.238 42 H CB 0.172 29.876 29.762 -0.097 0.000 1.412 42 H HN 0.182 nan 8.280 nan 0.000 0.562 43 A N 2.546 125.295 122.820 -0.119 0.000 2.287 43 A HA 0.349 4.674 4.320 0.009 0.000 0.273 43 A C -1.813 175.651 177.584 -0.201 0.000 1.091 43 A CA -1.283 50.675 52.037 -0.132 0.000 0.817 43 A CB 0.133 19.043 19.000 -0.150 0.000 1.069 43 A HN 0.007 nan 8.150 nan 0.000 0.492 44 P HA 0.087 nan 4.420 nan 0.000 0.270 44 P C 0.028 177.217 177.300 -0.186 0.000 1.223 44 P CA 0.002 62.999 63.100 -0.173 0.000 0.785 44 P CB 0.318 31.975 31.700 -0.071 0.000 0.923 45 F N 0.361 120.158 119.950 -0.255 0.000 2.186 45 F HA 0.081 4.613 4.527 0.008 0.000 0.299 45 F C 2.217 177.846 175.800 -0.286 0.000 1.090 45 F CA 2.223 59.967 58.000 -0.427 0.000 1.307 45 F CB -0.807 37.467 39.000 -1.210 0.000 1.019 45 F HN 0.630 nan 8.300 nan 0.000 0.489 46 G N -0.575 108.201 108.800 -0.040 0.000 2.179 46 G HA2 -0.227 3.738 3.960 0.009 0.000 0.220 46 G HA3 -0.227 3.738 3.960 0.009 0.000 0.220 46 G C 0.087 174.990 174.900 0.005 0.000 0.990 46 G CA -0.017 45.181 45.100 0.164 0.000 0.646 46 G HN 0.462 nan 8.290 nan 0.000 0.517 47 F N -0.951 118.854 119.950 -0.240 0.000 2.662 47 F HA 0.747 5.276 4.527 0.004 0.000 0.312 47 F C -0.888 174.811 175.800 -0.168 0.000 1.113 47 F CA -1.672 56.159 58.000 -0.282 0.000 0.951 47 F CB 1.040 39.677 39.000 -0.605 0.000 1.344 47 F HN -0.057 nan 8.300 nan 0.000 0.462 48 D N 3.828 124.285 120.400 0.096 0.000 2.374 48 D HA 0.311 4.956 4.640 0.009 0.000 0.240 48 D C -1.448 174.896 176.300 0.074 0.000 1.229 48 D CA -2.610 51.409 54.000 0.031 0.000 0.895 48 D CB 1.182 42.009 40.800 0.045 0.000 1.046 48 D HN 0.286 nan 8.370 nan 0.000 0.498 49 P HA -0.203 nan 4.420 nan 0.000 0.217 49 P C 0.744 178.064 177.300 0.032 0.000 1.148 49 P CA 1.117 64.179 63.100 -0.063 0.000 0.828 49 P CB 0.296 31.903 31.700 -0.155 0.000 0.783 50 K N -0.358 120.065 120.400 0.039 0.000 2.362 50 K HA -0.069 4.256 4.320 0.009 0.000 0.200 50 K C 1.438 178.072 176.600 0.057 0.000 1.046 50 K CA 0.700 57.017 56.287 0.050 0.000 0.952 50 K CB -0.081 32.432 32.500 0.021 0.000 0.753 50 K HN 0.132 nan 8.250 nan 0.000 0.466 51 E N 0.844 121.073 120.200 0.049 0.000 2.437 51 E HA 0.035 4.390 4.350 0.009 0.000 0.189 51 E C -0.344 176.264 176.600 0.014 0.000 1.054 51 E CA 0.107 56.526 56.400 0.033 0.000 0.874 51 E CB 0.339 30.056 29.700 0.028 0.000 1.011 51 E HN -0.043 nan 8.360 nan 0.000 0.474 52 V N 2.238 122.166 119.914 0.024 0.000 2.432 52 V HA 0.061 4.186 4.120 0.009 0.000 0.275 52 V C 1.123 177.291 176.094 0.123 0.000 1.043 52 V CA -0.316 61.958 62.300 -0.044 0.000 0.925 52 V CB 1.588 33.233 31.823 -0.297 0.000 0.985 52 V HN 0.018 nan 8.190 nan 0.000 0.466 53 D N 3.116 123.555 120.400 0.064 0.000 2.213 53 D HA 0.231 4.876 4.640 0.009 0.000 0.205 53 D C 0.631 177.042 176.300 0.186 0.000 0.961 53 D CA 1.289 55.356 54.000 0.111 0.000 0.853 53 D CB 0.780 41.614 40.800 0.056 0.000 0.967 53 D HN 0.683 nan 8.370 nan 0.000 0.496 54 A N -0.260 122.649 122.820 0.148 0.000 2.601 54 A HA 0.541 4.866 4.320 0.009 0.000 0.291 54 A C -1.568 176.064 177.584 0.080 0.000 1.075 54 A CA -0.591 51.580 52.037 0.222 0.000 0.671 54 A CB 1.504 20.679 19.000 0.293 0.000 1.277 54 A HN -0.111 nan 8.150 nan 0.000 0.417 55 V N 0.612 120.609 119.914 0.138 0.000 2.709 55 V HA 0.647 4.773 4.120 0.009 0.000 0.308 55 V C -1.207 175.000 176.094 0.189 0.000 1.062 55 V CA -0.442 61.886 62.300 0.046 0.000 0.901 55 V CB 1.487 33.277 31.823 -0.055 0.000 1.003 55 V HN 0.721 nan 8.190 nan 0.000 0.425 56 L N 5.122 126.449 121.223 0.173 0.000 2.362 56 L HA 0.629 4.975 4.340 0.009 0.000 0.275 56 L C -0.579 176.466 176.870 0.291 0.000 0.998 56 L CA -0.080 54.924 54.840 0.273 0.000 0.820 56 L CB 1.784 43.959 42.059 0.194 0.000 1.270 56 L HN 0.449 nan 8.230 nan 0.000 0.415 57 L N 2.095 123.512 121.223 0.323 0.000 2.313 57 L HA 0.443 4.789 4.340 0.009 0.000 0.283 57 L C 1.200 178.146 176.870 0.128 0.000 1.013 57 L CA -0.409 54.550 54.840 0.198 0.000 0.816 57 L CB 1.851 43.972 42.059 0.103 0.000 1.236 57 L HN 0.821 nan 8.230 nan 0.000 0.419 58 T N -2.228 112.392 114.554 0.110 0.000 2.812 58 T HA -0.011 4.345 4.350 0.009 0.000 0.264 58 T C 0.557 175.205 174.700 -0.087 0.000 1.042 58 T CA 0.780 62.860 62.100 -0.033 0.000 1.140 58 T CB -0.164 68.765 68.868 0.102 0.000 0.870 58 T HN 0.728 nan 8.240 nan 0.000 0.445 59 H N -2.088 116.906 119.070 -0.128 0.000 2.981 59 H HA 0.684 5.246 4.556 0.009 0.000 0.327 59 H C 0.610 175.862 175.328 -0.128 0.000 1.342 59 H CA -0.522 55.404 56.048 -0.203 0.000 1.123 59 H CB 1.219 30.829 29.762 -0.252 0.000 1.851 59 H HN 0.056 nan 8.280 nan 0.000 0.531 60 A N 0.181 122.958 122.820 -0.072 0.000 2.209 60 A HA -0.016 4.309 4.320 0.009 0.000 0.212 60 A C 0.497 178.096 177.584 0.024 0.000 1.158 60 A CA 0.163 52.160 52.037 -0.067 0.000 0.742 60 A CB -1.338 17.604 19.000 -0.098 0.000 0.790 60 A HN 0.691 nan 8.150 nan 0.000 0.472 61 H N -1.435 117.707 119.070 0.119 0.000 2.948 61 H HA 0.068 4.629 4.556 0.008 0.000 0.351 61 H C 1.254 176.641 175.328 0.098 0.000 1.079 61 H CA -0.371 55.756 56.048 0.132 0.000 1.407 61 H CB 0.681 30.597 29.762 0.257 0.000 1.373 61 H HN 0.201 nan 8.280 nan 0.000 0.605 62 L N 2.309 123.683 121.223 0.251 0.000 2.127 62 L HA -0.188 4.157 4.340 0.009 0.000 0.211 62 L C 1.856 178.825 176.870 0.165 0.000 1.089 62 L CA 1.711 56.658 54.840 0.178 0.000 0.757 62 L CB -0.437 41.720 42.059 0.163 0.000 0.899 62 L HN 0.790 nan 8.230 nan 0.000 0.434 63 D N -3.128 117.391 120.400 0.198 0.000 2.324 63 D HA -0.138 4.507 4.640 0.009 0.000 0.235 63 D C 1.246 177.637 176.300 0.151 0.000 1.095 63 D CA 0.672 54.763 54.000 0.153 0.000 0.871 63 D CB -0.313 40.589 40.800 0.170 0.000 0.906 63 D HN 0.534 nan 8.370 nan 0.000 0.522 64 H N -0.826 118.246 119.070 0.003 0.000 3.622 64 H HA 0.122 4.684 4.556 0.009 0.000 0.259 64 H C 1.276 176.575 175.328 -0.049 0.000 1.145 64 H CA 0.619 56.627 56.048 -0.068 0.000 1.178 64 H CB 1.792 31.371 29.762 -0.306 0.000 1.542 64 H HN 0.166 nan 8.280 nan 0.000 0.586 65 V N -3.479 116.486 119.914 0.086 0.000 3.392 65 V HA 0.418 4.544 4.120 0.009 0.000 0.294 65 V C 1.864 177.988 176.094 0.049 0.000 1.561 65 V CA 0.702 63.033 62.300 0.053 0.000 1.056 65 V CB 0.309 32.153 31.823 0.035 0.000 0.882 65 V HN 0.189 nan 8.190 nan 0.000 0.440 66 G N 1.319 110.173 108.800 0.089 0.000 2.442 66 G HA2 -0.208 3.758 3.960 0.009 0.000 0.219 66 G HA3 -0.208 3.758 3.960 0.009 0.000 0.219 66 G C 1.579 176.578 174.900 0.165 0.000 1.141 66 G CA 1.118 46.304 45.100 0.143 0.000 0.763 66 G HN 0.519 nan 8.290 nan 0.000 0.554 67 R N -0.649 119.961 120.500 0.184 0.000 2.317 67 R HA 0.239 4.584 4.340 0.009 0.000 0.208 67 R C 2.104 178.536 176.300 0.220 0.000 0.914 67 R CA -0.329 55.942 56.100 0.286 0.000 1.060 67 R CB -0.115 30.362 30.300 0.296 0.000 1.015 67 R HN 0.316 nan 8.270 nan 0.000 0.498 68 L N 2.463 123.739 121.223 0.088 0.000 2.043 68 L HA -0.122 4.224 4.340 0.009 0.000 0.212 68 L C -0.997 175.962 176.870 0.148 0.000 1.075 68 L CA 2.094 56.998 54.840 0.105 0.000 0.752 68 L CB -0.659 41.446 42.059 0.077 0.000 0.891 68 L HN 0.054 nan 8.230 nan 0.000 0.432 69 P HA -0.195 nan 4.420 nan 0.000 0.223 69 P C 1.325 178.652 177.300 0.045 0.000 1.151 69 P CA 1.338 64.354 63.100 -0.141 0.000 0.787 69 P CB -0.097 31.183 31.700 -0.700 0.000 0.788 70 K N -0.164 120.302 120.400 0.110 0.000 2.155 70 K HA -0.082 4.244 4.320 0.009 0.000 0.203 70 K C 2.103 178.906 176.600 0.339 0.000 1.052 70 K CA 0.444 56.896 56.287 0.276 0.000 0.948 70 K CB -0.485 32.226 32.500 0.353 0.000 0.728 70 K HN -0.049 nan 8.250 nan 0.000 0.448 71 L N 0.641 122.079 121.223 0.358 0.000 2.017 71 L HA -0.117 4.228 4.340 0.009 0.000 0.208 71 L C 1.863 178.775 176.870 0.071 0.000 1.073 71 L CA 1.722 56.659 54.840 0.162 0.000 0.745 71 L CB -0.398 41.591 42.059 -0.116 0.000 0.894 71 L HN 0.123 nan 8.230 nan 0.000 0.432 72 F N -0.537 119.487 119.950 0.123 0.000 2.163 72 F HA -0.104 4.431 4.527 0.013 0.000 0.297 72 F C 2.711 178.555 175.800 0.073 0.000 1.094 72 F CA 1.483 59.534 58.000 0.084 0.000 1.290 72 F CB -0.459 38.555 39.000 0.023 0.000 1.017 72 F HN 0.010 nan 8.300 nan 0.000 0.483 73 R N 0.967 121.625 120.500 0.263 0.000 2.170 73 R HA -0.188 4.157 4.340 0.009 0.000 0.242 73 R C 0.680 177.067 176.300 0.145 0.000 1.145 73 R CA 1.711 57.925 56.100 0.189 0.000 0.984 73 R CB -0.299 30.117 30.300 0.193 0.000 0.869 73 R HN 0.340 nan 8.270 nan 0.000 0.455 74 E N -1.428 118.857 120.200 0.140 0.000 2.411 74 E HA 0.151 4.507 4.350 0.009 0.000 0.204 74 E C 0.420 177.056 176.600 0.059 0.000 1.059 74 E CA 0.262 56.721 56.400 0.099 0.000 1.112 74 E CB 1.009 30.782 29.700 0.121 0.000 1.168 74 E HN 0.614 nan 8.360 nan 0.000 0.445 75 G N 1.240 110.070 108.800 0.049 0.000 2.279 75 G HA2 -0.345 3.621 3.960 0.009 0.000 0.223 75 G HA3 -0.345 3.621 3.960 0.009 0.000 0.223 75 G C 0.050 174.914 174.900 -0.059 0.000 1.015 75 G CA -0.170 44.935 45.100 0.009 0.000 0.621 75 G HN 0.472 nan 8.290 nan 0.000 0.506 76 Y N 2.288 122.430 120.300 -0.264 0.000 2.712 76 Y HA 0.412 4.965 4.550 0.005 0.000 0.333 76 Y C 1.359 176.889 175.900 -0.616 0.000 1.225 76 Y CA 0.628 58.442 58.100 -0.477 0.000 1.499 76 Y CB 0.467 38.510 38.460 -0.695 0.000 1.288 76 Y HN 0.109 nan 8.280 nan 0.000 0.575 77 R N 4.092 123.853 120.500 -1.231 0.000 2.527 77 R HA 0.200 4.545 4.340 0.009 0.000 0.402 77 R C 0.258 176.021 176.300 -0.895 0.000 0.933 77 R CA 0.321 55.889 56.100 -0.887 0.000 1.171 77 R CB 0.564 30.679 30.300 -0.307 0.000 1.612 77 R HN 0.857 nan 8.270 nan 0.000 0.546 78 G N 2.060 109.926 108.800 -1.557 0.000 2.543 78 G HA2 0.395 4.360 3.960 0.009 0.000 0.290 78 G HA3 0.395 4.360 3.960 0.009 0.000 0.290 78 G C -2.424 172.382 174.900 -0.157 0.000 1.310 78 G CA -0.884 43.850 45.100 -0.611 0.000 1.025 78 G HN -0.143 nan 8.290 nan 0.000 0.502 79 P HA 0.291 nan 4.420 nan 0.000 0.274 79 P C -0.868 176.450 177.300 0.031 0.000 1.237 79 P CA -0.270 62.834 63.100 0.006 0.000 0.793 79 P CB 1.708 33.275 31.700 -0.221 0.000 0.977 80 V N 3.019 122.872 119.914 -0.101 0.000 2.419 80 V HA 0.224 4.350 4.120 0.009 0.000 0.287 80 V C -0.582 175.413 176.094 -0.165 0.000 1.017 80 V CA -0.512 61.789 62.300 0.002 0.000 0.844 80 V CB 0.299 32.233 31.823 0.185 0.000 1.011 80 V HN 0.379 nan 8.190 nan 0.000 0.429 81 Y N 2.895 123.262 120.300 0.111 0.000 2.304 81 Y HA 0.771 5.325 4.550 0.007 0.000 0.328 81 Y C 0.579 176.599 175.900 0.200 0.000 1.123 81 Y CA -0.079 58.077 58.100 0.093 0.000 1.218 81 Y CB 1.619 40.068 38.460 -0.019 0.000 1.207 81 Y HN 0.760 nan 8.280 nan 0.000 0.495 82 A N 0.643 123.673 122.820 0.348 0.000 2.586 82 A HA 0.573 4.898 4.320 0.009 0.000 0.291 82 A C -0.391 177.278 177.584 0.141 0.000 1.062 82 A CA -0.761 51.441 52.037 0.276 0.000 0.666 82 A CB 0.277 19.326 19.000 0.082 0.000 1.281 82 A HN 0.704 nan 8.150 nan 0.000 0.421 83 T N -1.067 113.432 114.554 -0.091 0.000 2.856 83 T HA 0.304 4.659 4.350 0.009 0.000 0.306 83 T C 1.210 175.822 174.700 -0.148 0.000 1.062 83 T CA 0.391 62.393 62.100 -0.164 0.000 1.083 83 T CB 0.675 69.303 68.868 -0.400 0.000 0.984 83 T HN 0.862 nan 8.240 nan 0.000 0.542 84 R N 0.897 121.359 120.500 -0.063 0.000 2.105 84 R HA -0.132 4.213 4.340 0.009 0.000 0.239 84 R C 2.480 178.657 176.300 -0.206 0.000 1.135 84 R CA 1.551 57.619 56.100 -0.053 0.000 0.967 84 R CB -0.999 29.350 30.300 0.082 0.000 0.861 84 R HN 0.854 nan 8.270 nan 0.000 0.442 85 A N -0.061 122.433 122.820 -0.542 0.000 1.877 85 A HA -0.136 4.190 4.320 0.009 0.000 0.216 85 A C 2.183 179.522 177.584 -0.407 0.000 1.186 85 A CA 2.017 53.646 52.037 -0.680 0.000 0.620 85 A CB -0.920 17.218 19.000 -1.437 0.000 0.822 85 A HN 0.454 nan 8.150 nan 0.000 0.443 86 T N -0.206 114.121 114.554 -0.379 0.000 2.708 86 T HA -0.132 4.224 4.350 0.009 0.000 0.266 86 T C 1.900 176.509 174.700 -0.151 0.000 1.037 86 T CA 1.604 63.561 62.100 -0.239 0.000 1.146 86 T CB -0.513 68.227 68.868 -0.214 0.000 0.865 86 T HN 0.154 nan 8.240 nan 0.000 0.435 87 V N 1.600 121.435 119.914 -0.130 0.000 2.255 87 V HA -0.176 3.949 4.120 0.009 0.000 0.247 87 V C 2.526 178.574 176.094 -0.076 0.000 1.051 87 V CA 1.665 63.917 62.300 -0.080 0.000 1.018 87 V CB -0.754 31.033 31.823 -0.059 0.000 0.641 87 V HN 0.430 nan 8.190 nan 0.000 0.445 88 L N -0.935 120.233 121.223 -0.091 0.000 2.012 88 L HA -0.213 4.132 4.340 0.009 0.000 0.210 88 L C 2.439 179.276 176.870 -0.055 0.000 1.073 88 L CA 1.621 56.423 54.840 -0.064 0.000 0.748 88 L CB -0.545 41.476 42.059 -0.063 0.000 0.891 88 L HN 0.297 nan 8.230 nan 0.000 0.431 89 L N -1.248 119.927 121.223 -0.081 0.000 2.046 89 L HA -0.239 4.106 4.340 0.009 0.000 0.208 89 L C 2.700 179.550 176.870 -0.033 0.000 1.077 89 L CA 1.201 56.010 54.840 -0.053 0.000 0.747 89 L CB -0.342 41.664 42.059 -0.088 0.000 0.896 89 L HN 0.298 nan 8.230 nan 0.000 0.432 90 M N -0.568 119.005 119.600 -0.045 0.000 2.106 90 M HA -0.308 4.178 4.480 0.009 0.000 0.259 90 M C 2.253 178.545 176.300 -0.013 0.000 1.068 90 M CA 1.878 57.164 55.300 -0.024 0.000 1.100 90 M CB -0.401 32.178 32.600 -0.034 0.000 1.351 90 M HN 0.255 nan 8.290 nan 0.000 0.404 91 E N 0.700 120.888 120.200 -0.021 0.000 2.097 91 E HA -0.229 4.126 4.350 0.009 0.000 0.196 91 E C 1.747 178.349 176.600 0.004 0.000 1.000 91 E CA 1.509 57.901 56.400 -0.013 0.000 0.804 91 E CB -0.094 29.595 29.700 -0.018 0.000 0.740 91 E HN 0.524 nan 8.360 nan 0.000 0.454 92 I N -0.036 120.539 120.570 0.008 0.000 2.252 92 I HA -0.225 3.950 4.170 0.009 0.000 0.245 92 I C 2.289 178.429 176.117 0.037 0.000 1.102 92 I CA 0.540 61.852 61.300 0.020 0.000 1.385 92 I CB -0.078 37.932 38.000 0.018 0.000 1.064 92 I HN 0.062 nan 8.210 nan 0.000 0.414 93 V N 0.607 120.546 119.914 0.042 0.000 2.343 93 V HA -0.249 3.876 4.120 0.009 0.000 0.247 93 V C 2.363 178.504 176.094 0.079 0.000 1.051 93 V CA 1.361 63.702 62.300 0.068 0.000 1.036 93 V CB -0.458 31.410 31.823 0.075 0.000 0.654 93 V HN 0.290 nan 8.190 nan 0.000 0.451 94 L N -0.130 121.128 121.223 0.059 0.000 2.056 94 L HA -0.058 4.287 4.340 0.009 0.000 0.207 94 L C 2.591 179.523 176.870 0.104 0.000 1.078 94 L CA 1.645 56.531 54.840 0.076 0.000 0.749 94 L CB -1.326 40.742 42.059 0.015 0.000 0.901 94 L HN 0.351 nan 8.230 nan 0.000 0.433 95 E N -0.556 119.683 120.200 0.066 0.000 2.110 95 E HA -0.265 4.090 4.350 0.009 0.000 0.193 95 E C 1.819 178.454 176.600 0.059 0.000 0.988 95 E CA 1.445 57.880 56.400 0.058 0.000 0.804 95 E CB -0.279 29.442 29.700 0.035 0.000 0.745 95 E HN 0.563 nan 8.360 nan 0.000 0.458 96 D N 0.509 120.947 120.400 0.062 0.000 2.178 96 D HA -0.065 4.580 4.640 0.009 0.000 0.202 96 D C 1.908 178.249 176.300 0.068 0.000 0.974 96 D CA 1.373 55.409 54.000 0.061 0.000 0.841 96 D CB 0.053 40.893 40.800 0.067 0.000 0.953 96 D HN 0.115 nan 8.370 nan 0.000 0.478 97 A N 0.253 123.133 122.820 0.100 0.000 1.883 97 A HA -0.129 4.196 4.320 0.009 0.000 0.217 97 A C 2.311 179.904 177.584 0.014 0.000 1.186 97 A CA 1.158 53.263 52.037 0.113 0.000 0.624 97 A CB -0.932 18.211 19.000 0.239 0.000 0.822 97 A HN 0.364 nan 8.150 nan 0.000 0.444 98 L N -0.682 120.547 121.223 0.011 0.000 1.956 98 L HA -0.283 4.062 4.340 0.009 0.000 0.216 98 L C 2.696 179.517 176.870 -0.081 0.000 1.073 98 L CA 2.190 56.965 54.840 -0.107 0.000 0.762 98 L CB -0.548 41.496 42.059 -0.024 0.000 0.889 98 L HN 0.371 nan 8.230 nan 0.000 0.433 99 K N -0.358 120.029 120.400 -0.022 0.000 2.001 99 K HA -0.203 4.123 4.320 0.009 0.000 0.214 99 K C 1.596 178.193 176.600 -0.005 0.000 1.050 99 K CA 2.040 58.322 56.287 -0.009 0.000 0.934 99 K CB -0.415 32.092 32.500 0.012 0.000 0.718 99 K HN 0.345 nan 8.250 nan 0.000 0.443 100 V N -0.675 119.246 119.914 0.012 0.000 3.563 100 V HA 0.154 4.280 4.120 0.009 0.000 0.299 100 V C 0.409 176.516 176.094 0.023 0.000 1.290 100 V CA 0.014 62.329 62.300 0.026 0.000 1.201 100 V CB -0.622 31.231 31.823 0.050 0.000 1.045 100 V HN 0.168 nan 8.190 nan 0.000 0.425 101 M N 3.033 122.624 119.600 -0.014 0.000 2.077 101 M HA 0.267 4.752 4.480 0.009 0.000 0.348 101 M C 1.290 177.591 176.300 0.001 0.000 1.252 101 M CA -0.311 54.980 55.300 -0.016 0.000 1.096 101 M CB 0.784 33.309 32.600 -0.124 0.000 1.568 101 M HN 0.573 nan 8.290 nan 0.000 0.456 102 D N 4.534 124.960 120.400 0.044 0.000 2.240 102 D HA -0.243 4.402 4.640 0.009 0.000 0.204 102 D C -0.112 176.221 176.300 0.055 0.000 1.018 102 D CA 1.611 55.641 54.000 0.049 0.000 0.887 102 D CB -0.496 40.344 40.800 0.067 0.000 1.087 102 D HN 0.768 nan 8.370 nan 0.000 0.464 103 E N 1.828 122.096 120.200 0.114 0.000 2.035 103 E HA 0.402 4.757 4.350 0.009 0.000 0.271 103 E C -2.397 174.354 176.600 0.251 0.000 0.953 103 E CA -2.216 54.280 56.400 0.160 0.000 0.777 103 E CB 1.282 31.075 29.700 0.155 0.000 1.104 103 E HN 0.150 nan 8.360 nan 0.000 0.408 104 P HA -0.045 nan 4.420 nan 0.000 0.270 104 P C -0.459 176.858 177.300 0.029 0.000 1.223 104 P CA -0.228 62.795 63.100 -0.129 0.000 0.785 104 P CB 0.268 31.805 31.700 -0.273 0.000 0.923 105 F N -0.402 119.383 119.950 -0.275 0.000 2.817 105 F HA 0.511 5.043 4.527 0.008 0.000 0.319 105 F C -0.473 175.378 175.800 0.085 0.000 1.136 105 F CA -1.030 56.875 58.000 -0.158 0.000 1.177 105 F CB -0.013 38.693 39.000 -0.491 0.000 1.088 105 F HN 0.151 nan 8.300 nan 0.000 0.520 106 F N -1.166 118.609 119.950 -0.291 0.000 2.770 106 F HA 0.896 5.429 4.527 0.009 0.000 0.313 106 F C -0.342 175.371 175.800 -0.144 0.000 1.154 106 F CA -1.663 56.224 58.000 -0.190 0.000 0.923 106 F CB 0.720 39.566 39.000 -0.258 0.000 1.301 106 F HN 0.088 nan 8.300 nan 0.000 0.449 107 G N -0.292 108.611 108.800 0.171 0.000 2.788 107 G HA2 0.638 4.604 3.960 0.009 0.000 0.293 107 G HA3 0.638 4.604 3.960 0.009 0.000 0.293 107 G C -2.488 172.500 174.900 0.147 0.000 1.305 107 G CA -1.941 43.197 45.100 0.063 0.000 1.005 107 G HN 0.458 nan 8.290 nan 0.000 0.496 108 P HA -0.154 nan 4.420 nan 0.000 0.216 108 P C 1.410 178.747 177.300 0.061 0.000 1.150 108 P CA 1.526 64.668 63.100 0.069 0.000 0.837 108 P CB 0.184 31.903 31.700 0.030 0.000 0.786 109 E N 0.471 120.704 120.200 0.055 0.000 2.150 109 E HA -0.183 4.173 4.350 0.009 0.000 0.193 109 E C 1.327 177.950 176.600 0.039 0.000 0.985 109 E CA 1.133 57.556 56.400 0.039 0.000 0.814 109 E CB -1.193 28.531 29.700 0.040 0.000 0.752 109 E HN 0.242 nan 8.360 nan 0.000 0.466 110 D N 1.045 121.493 120.400 0.080 0.000 2.178 110 D HA -0.061 4.584 4.640 0.009 0.000 0.202 110 D C 2.158 178.439 176.300 -0.032 0.000 0.974 110 D CA 0.875 54.917 54.000 0.071 0.000 0.841 110 D CB 0.193 41.080 40.800 0.144 0.000 0.953 110 D HN 0.119 nan 8.370 nan 0.000 0.478 111 V N 1.675 121.584 119.914 -0.008 0.000 2.346 111 V HA -0.200 3.926 4.120 0.009 0.000 0.244 111 V C 2.545 178.580 176.094 -0.099 0.000 1.037 111 V CA 1.875 64.132 62.300 -0.072 0.000 1.029 111 V CB -0.510 31.326 31.823 0.023 0.000 0.663 111 V HN 0.282 nan 8.190 nan 0.000 0.454 112 E N 0.753 120.916 120.200 -0.061 0.000 2.150 112 E HA -0.296 4.059 4.350 0.009 0.000 0.193 112 E C 1.987 178.510 176.600 -0.129 0.000 0.985 112 E CA 1.660 58.014 56.400 -0.077 0.000 0.814 112 E CB -0.253 29.422 29.700 -0.042 0.000 0.752 112 E HN 0.620 nan 8.360 nan 0.000 0.466 113 E N 1.029 121.140 120.200 -0.149 0.000 2.072 113 E HA -0.092 4.263 4.350 0.009 0.000 0.191 113 E C 1.937 178.186 176.600 -0.585 0.000 0.985 113 E CA 1.551 57.821 56.400 -0.216 0.000 0.801 113 E CB -0.294 29.341 29.700 -0.109 0.000 0.750 113 E HN 0.393 nan 8.360 nan 0.000 0.452 114 A N 0.521 122.921 122.820 -0.701 0.000 1.873 114 A HA -0.095 4.230 4.320 0.009 0.000 0.215 114 A C 2.241 179.555 177.584 -0.451 0.000 1.186 114 A CA 1.309 52.770 52.037 -0.959 0.000 0.616 114 A CB -0.761 18.006 19.000 -0.389 0.000 0.823 114 A HN 0.332 nan 8.150 nan 0.000 0.442 115 L N -0.480 120.589 121.223 -0.258 0.000 2.191 115 L HA -0.118 4.227 4.340 0.009 0.000 0.212 115 L C 2.636 179.416 176.870 -0.150 0.000 1.103 115 L CA 0.832 55.581 54.840 -0.152 0.000 0.769 115 L CB -0.664 41.331 42.059 -0.108 0.000 0.908 115 L HN 0.507 nan 8.230 nan 0.000 0.438 116 G N -1.438 107.248 108.800 -0.191 0.000 2.471 116 G HA2 -0.214 3.751 3.960 0.009 0.000 0.219 116 G HA3 -0.214 3.751 3.960 0.009 0.000 0.219 116 G C 0.970 175.688 174.900 -0.305 0.000 1.125 116 G CA 0.343 45.313 45.100 -0.217 0.000 0.775 116 G HN 0.448 nan 8.290 nan 0.000 0.548 117 H N -0.747 118.198 119.070 -0.208 0.000 2.586 117 H HA 0.356 4.918 4.556 0.010 0.000 0.273 117 H C 0.691 175.969 175.328 -0.084 0.000 0.997 117 H CA -0.499 55.496 56.048 -0.088 0.000 1.177 117 H CB 0.223 30.042 29.762 0.095 0.000 1.471 117 H HN 0.142 nan 8.280 nan 0.000 0.538 118 L N 1.843 123.051 121.223 -0.026 0.000 2.455 118 L HA 0.162 4.508 4.340 0.009 0.000 0.272 118 L C 0.241 177.058 176.870 -0.089 0.000 1.174 118 L CA 0.528 55.340 54.840 -0.047 0.000 0.869 118 L CB 0.454 42.487 42.059 -0.043 0.000 1.130 118 L HN 0.166 nan 8.230 nan 0.000 0.474 119 R N 4.623 125.042 120.500 -0.135 0.000 2.575 119 R HA 0.400 4.745 4.340 0.009 0.000 0.293 119 R C -2.508 173.796 176.300 0.008 0.000 0.983 119 R CA -1.866 54.169 56.100 -0.108 0.000 0.887 119 R CB 2.112 32.274 30.300 -0.231 0.000 1.184 119 R HN 0.361 nan 8.270 nan 0.000 0.445 120 P HA 0.058 nan 4.420 nan 0.000 0.271 120 P C -1.055 176.331 177.300 0.143 0.000 1.216 120 P CA -0.248 62.902 63.100 0.084 0.000 0.771 120 P CB 1.015 32.745 31.700 0.051 0.000 0.864 121 L N 3.088 124.406 121.223 0.158 0.000 2.528 121 L HA 0.409 4.754 4.340 0.009 0.000 0.267 121 L C -0.597 176.345 176.870 0.120 0.000 0.961 121 L CA -0.301 54.612 54.840 0.121 0.000 0.866 121 L CB 1.677 43.788 42.059 0.087 0.000 1.248 121 L HN 0.192 nan 8.230 nan 0.000 0.404 122 E N 2.869 123.083 120.200 0.023 0.000 2.232 122 E HA 0.316 4.671 4.350 0.009 0.000 0.265 122 E C -1.060 175.493 176.600 -0.077 0.000 1.001 122 E CA -0.611 55.751 56.400 -0.063 0.000 0.870 122 E CB 0.764 30.462 29.700 -0.004 0.000 1.175 122 E HN 0.407 nan 8.360 nan 0.000 0.407 123 Y N 0.171 120.503 120.300 0.053 0.000 2.810 123 Y HA 0.171 4.726 4.550 0.009 0.000 0.332 123 Y C 1.722 177.575 175.900 -0.078 0.000 1.243 123 Y CA 1.468 59.551 58.100 -0.028 0.000 1.537 123 Y CB -0.106 38.317 38.460 -0.062 0.000 1.265 123 Y HN 0.757 nan 8.280 nan 0.000 0.572 124 G N 1.904 110.688 108.800 -0.026 0.000 2.160 124 G HA2 -0.254 3.711 3.960 0.009 0.000 0.244 124 G HA3 -0.254 3.711 3.960 0.009 0.000 0.244 124 G C -0.369 174.466 174.900 -0.108 0.000 1.022 124 G CA -0.154 44.900 45.100 -0.077 0.000 0.741 124 G HN 0.624 nan 8.290 nan 0.000 0.508 125 E N -0.929 119.131 120.200 -0.233 0.000 2.218 125 E HA 0.431 4.786 4.350 0.009 0.000 0.263 125 E C -0.626 175.789 176.600 -0.308 0.000 0.879 125 E CA -0.908 55.406 56.400 -0.144 0.000 0.762 125 E CB 1.145 30.797 29.700 -0.079 0.000 1.166 125 E HN 0.307 nan 8.360 nan 0.000 0.415 126 W N 3.194 124.448 121.300 -0.076 0.000 2.315 126 W HA 0.297 4.961 4.660 0.007 0.000 0.316 126 W C -0.204 176.224 176.519 -0.152 0.000 1.211 126 W CA -0.503 56.776 57.345 -0.110 0.000 1.201 126 W CB 0.556 29.974 29.460 -0.071 0.000 1.184 126 W HN 0.331 nan 8.180 nan 0.000 0.544 127 L N 4.973 126.182 121.223 -0.024 0.000 2.309 127 L HA 0.576 4.921 4.340 0.009 0.000 0.282 127 L C -0.540 176.303 176.870 -0.045 0.000 1.036 127 L CA -0.971 53.770 54.840 -0.164 0.000 0.806 127 L CB 0.760 42.546 42.059 -0.456 0.000 1.220 127 L HN 0.285 nan 8.230 nan 0.000 0.429 128 R N 5.598 126.070 120.500 -0.047 0.000 2.360 128 R HA 0.599 4.944 4.340 0.009 0.000 0.318 128 R C -1.663 174.622 176.300 -0.024 0.000 0.950 128 R CA -0.712 55.380 56.100 -0.014 0.000 0.837 128 R CB 1.409 31.709 30.300 0.000 0.000 1.165 128 R HN 0.486 nan 8.270 nan 0.000 0.458 129 L N 1.695 122.907 121.223 -0.018 0.000 2.376 129 L HA 0.420 4.766 4.340 0.009 0.000 0.275 129 L C 1.107 177.976 176.870 -0.002 0.000 0.987 129 L CA 0.153 54.990 54.840 -0.006 0.000 0.828 129 L CB 1.869 43.924 42.059 -0.007 0.000 1.249 129 L HN 0.912 nan 8.230 nan 0.000 0.409 130 G N 3.004 111.804 108.800 0.001 0.000 2.672 130 G HA2 -0.303 3.662 3.960 0.009 0.000 0.324 130 G HA3 -0.303 3.662 3.960 0.009 0.000 0.324 130 G C 0.759 175.655 174.900 -0.006 0.000 1.286 130 G CA 0.705 45.804 45.100 -0.001 0.000 1.004 130 G HN 1.087 nan 8.290 nan 0.000 0.548 131 A N -0.857 121.958 122.820 -0.008 0.000 2.337 131 A HA 0.637 4.962 4.320 0.009 0.000 0.227 131 A C 0.764 178.343 177.584 -0.010 0.000 1.259 131 A CA 1.008 53.037 52.037 -0.012 0.000 0.870 131 A CB -0.032 18.960 19.000 -0.013 0.000 0.927 131 A HN 1.258 nan 8.150 nan 0.000 0.497 132 L N 0.300 121.521 121.223 -0.003 0.000 2.334 132 L HA 0.578 4.924 4.340 0.009 0.000 0.277 132 L C -0.376 176.508 176.870 0.023 0.000 1.075 132 L CA 0.176 55.021 54.840 0.009 0.000 0.804 132 L CB 1.698 43.761 42.059 0.006 0.000 1.174 132 L HN 0.016 nan 8.230 nan 0.000 0.438 133 S N 5.464 121.202 115.700 0.064 0.000 2.605 133 S HA 0.752 5.228 4.470 0.009 0.000 0.308 133 S C -0.889 173.893 174.600 0.303 0.000 1.113 133 S CA -0.478 57.817 58.200 0.158 0.000 1.049 133 S CB 0.987 64.219 63.200 0.055 0.000 1.001 133 S HN 0.470 nan 8.310 nan 0.000 0.480 134 L N 2.437 123.806 121.223 0.243 0.000 2.381 134 L HA 0.962 5.307 4.340 0.009 0.000 0.268 134 L C -0.144 176.536 176.870 -0.316 0.000 0.997 134 L CA -0.582 54.270 54.840 0.020 0.000 0.818 134 L CB 1.917 43.897 42.059 -0.132 0.000 1.310 134 L HN 0.731 nan 8.230 nan 0.000 0.416 135 A N 1.455 123.905 122.820 -0.616 0.000 2.566 135 A HA 0.868 5.193 4.320 0.009 0.000 0.292 135 A C -1.679 175.588 177.584 -0.528 0.000 1.112 135 A CA -0.406 51.054 52.037 -0.961 0.000 0.707 135 A CB 1.365 19.174 19.000 -1.986 0.000 1.302 135 A HN 0.373 nan 8.150 nan 0.000 0.409 136 F N 0.580 120.268 119.950 -0.437 0.000 2.421 136 F HA 0.634 5.167 4.527 0.009 0.000 0.337 136 F C 0.967 176.547 175.800 -0.366 0.000 1.105 136 F CA -0.712 57.086 58.000 -0.338 0.000 1.049 136 F CB 1.991 40.791 39.000 -0.333 0.000 1.139 136 F HN 0.715 nan 8.300 nan 0.000 0.479 137 G N 1.455 109.954 108.800 -0.502 0.000 2.432 137 G HA2 0.437 4.403 3.960 0.009 0.000 0.331 137 G HA3 0.437 4.403 3.960 0.009 0.000 0.331 137 G C -1.285 173.131 174.900 -0.807 0.000 1.170 137 G CA -0.675 43.741 45.100 -1.141 0.000 0.943 137 G HN 0.441 nan 8.290 nan 0.000 0.483 138 Q N 0.401 119.932 119.800 -0.450 0.000 2.286 138 Q HA 0.479 4.824 4.340 0.009 0.000 0.265 138 Q C 0.788 176.802 176.000 0.023 0.000 1.080 138 Q CA 0.587 56.197 55.803 -0.321 0.000 0.906 138 Q CB 1.068 29.596 28.738 -0.351 0.000 1.227 138 Q HN 0.539 nan 8.270 nan 0.000 0.409 139 A N 3.672 126.505 122.820 0.022 0.000 2.115 139 A HA 0.380 4.705 4.320 0.009 0.000 0.211 139 A C 1.377 178.949 177.584 -0.019 0.000 1.169 139 A CA 0.474 52.566 52.037 0.091 0.000 0.787 139 A CB -0.479 18.535 19.000 0.024 0.000 0.858 139 A HN 1.370 nan 8.150 nan 0.000 0.474 140 G N -0.904 107.859 108.800 -0.061 0.000 2.283 140 G HA2 -0.353 3.612 3.960 0.009 0.000 0.280 140 G HA3 -0.353 3.612 3.960 0.009 0.000 0.280 140 G C 0.478 175.324 174.900 -0.091 0.000 1.029 140 G CA 1.259 46.309 45.100 -0.083 0.000 0.840 140 G HN 0.887 nan 8.290 nan 0.000 0.505 141 H N -1.055 117.868 119.070 -0.244 0.000 2.681 141 H HA 0.669 5.230 4.556 0.009 0.000 0.268 141 H C 0.964 176.094 175.328 -0.330 0.000 0.967 141 H CA 0.878 56.731 56.048 -0.325 0.000 1.233 141 H CB 0.368 29.850 29.762 -0.467 0.000 1.445 141 H HN 0.388 nan 8.280 nan 0.000 0.494 142 L N 0.066 121.043 121.223 -0.409 0.000 2.671 142 L HA 0.372 4.717 4.340 0.009 0.000 0.259 142 L C -2.634 174.023 176.870 -0.355 0.000 1.021 142 L CA -2.359 52.220 54.840 -0.434 0.000 0.871 142 L CB 2.704 44.448 42.059 -0.526 0.000 1.472 142 L HN -0.036 nan 8.230 nan 0.000 0.410 143 P HA 0.159 nan 4.420 nan 0.000 0.267 143 P C 0.480 177.457 177.300 -0.539 0.000 1.209 143 P CA 0.794 63.559 63.100 -0.558 0.000 0.763 143 P CB 0.609 31.838 31.700 -0.784 0.000 0.816 144 G N 2.181 110.725 108.800 -0.426 0.000 2.159 144 G HA2 -0.241 3.725 3.960 0.009 0.000 0.256 144 G HA3 -0.241 3.725 3.960 0.009 0.000 0.256 144 G C 0.350 175.087 174.900 -0.271 0.000 0.977 144 G CA 0.234 45.060 45.100 -0.456 0.000 0.652 144 G HN 0.755 nan 8.290 nan 0.000 0.531 145 S N -0.326 115.276 115.700 -0.162 0.000 2.580 145 S HA 0.864 5.339 4.470 0.009 0.000 0.274 145 S C 0.291 174.836 174.600 -0.091 0.000 1.329 145 S CA 0.859 58.968 58.200 -0.151 0.000 1.036 145 S CB 2.207 65.306 63.200 -0.169 0.000 0.919 145 S HN 2.062 nan 8.310 nan 0.000 0.515 146 A N 1.644 124.344 122.820 -0.200 0.000 2.602 146 A HA 0.807 5.132 4.320 0.009 0.000 0.290 146 A C -0.840 176.684 177.584 -0.099 0.000 1.114 146 A CA -1.129 50.784 52.037 -0.207 0.000 0.683 146 A CB 0.785 19.431 19.000 -0.591 0.000 1.281 146 A HN 1.313 nan 8.150 nan 0.000 0.416 147 F N -0.825 119.147 119.950 0.035 0.000 2.575 147 F HA 0.863 5.395 4.527 0.008 0.000 0.330 147 F C -0.589 175.335 175.800 0.207 0.000 1.056 147 F CA -1.283 56.737 58.000 0.033 0.000 0.964 147 F CB 1.322 40.383 39.000 0.102 0.000 1.258 147 F HN 0.301 nan 8.300 nan 0.000 0.484 148 V N 2.273 122.472 119.914 0.476 0.000 2.513 148 V HA 0.526 4.651 4.120 0.009 0.000 0.299 148 V C -0.588 175.740 176.094 0.391 0.000 1.035 148 V CA -0.872 61.664 62.300 0.394 0.000 0.889 148 V CB 1.615 33.676 31.823 0.397 0.000 0.988 148 V HN 0.730 nan 8.190 nan 0.000 0.440 149 V N 3.836 123.890 119.914 0.233 0.000 2.378 149 V HA 0.761 4.886 4.120 0.009 0.000 0.288 149 V C 0.217 176.422 176.094 0.186 0.000 1.016 149 V CA -0.418 62.025 62.300 0.238 0.000 0.840 149 V CB 1.533 33.499 31.823 0.239 0.000 0.994 149 V HN 0.991 nan 8.190 nan 0.000 0.431 150 A N 4.747 127.680 122.820 0.190 0.000 2.304 150 A HA 0.773 5.099 4.320 0.009 0.000 0.314 150 A C -0.585 177.089 177.584 0.150 0.000 1.187 150 A CA -0.538 51.593 52.037 0.156 0.000 0.810 150 A CB 1.401 20.464 19.000 0.105 0.000 1.183 150 A HN 0.597 nan 8.150 nan 0.000 0.487 151 Q N 1.753 121.649 119.800 0.160 0.000 2.325 151 Q HA 0.644 4.989 4.340 0.009 0.000 0.270 151 Q C -0.651 175.374 176.000 0.042 0.000 1.020 151 Q CA -0.180 55.678 55.803 0.092 0.000 0.785 151 Q CB 1.837 30.621 28.738 0.077 0.000 1.259 151 Q HN 1.190 nan 8.270 nan 0.000 0.452 152 G N 1.908 110.721 108.800 0.021 0.000 2.667 152 G HA2 0.385 4.350 3.960 0.009 0.000 0.294 152 G HA3 0.385 4.350 3.960 0.009 0.000 0.294 152 G C -1.078 173.821 174.900 -0.002 0.000 1.467 152 G CA -0.615 44.488 45.100 0.004 0.000 0.852 152 G HN 0.661 nan 8.290 nan 0.000 0.521 153 E N -0.736 119.458 120.200 -0.009 0.000 2.476 153 E HA -0.231 4.124 4.350 0.009 0.000 0.251 153 E C 1.382 177.976 176.600 -0.010 0.000 1.130 153 E CA 1.260 57.654 56.400 -0.010 0.000 0.736 153 E CB -1.376 28.320 29.700 -0.007 0.000 1.298 153 E HN 2.415 nan 8.360 nan 0.000 0.400 154 G N -0.096 108.695 108.800 -0.014 0.000 2.166 154 G HA2 -0.381 3.584 3.960 0.009 0.000 0.260 154 G HA3 -0.381 3.584 3.960 0.009 0.000 0.260 154 G C 0.168 175.063 174.900 -0.008 0.000 0.986 154 G CA 0.850 45.942 45.100 -0.014 0.000 0.683 154 G HN 0.293 nan 8.290 nan 0.000 0.527 155 R N -0.833 119.667 120.500 -0.001 0.000 2.854 155 R HA 0.701 5.046 4.340 0.009 0.000 0.271 155 R C -1.074 175.239 176.300 0.021 0.000 0.994 155 R CA -0.600 55.504 56.100 0.006 0.000 0.945 155 R CB 1.706 32.009 30.300 0.005 0.000 1.194 155 R HN 0.109 nan 8.270 nan 0.000 0.476 156 T N 2.176 116.747 114.554 0.027 0.000 2.841 156 T HA 0.417 4.772 4.350 0.009 0.000 0.285 156 T C -1.084 173.648 174.700 0.054 0.000 0.991 156 T CA -0.581 61.550 62.100 0.052 0.000 0.966 156 T CB 1.197 70.097 68.868 0.053 0.000 0.962 156 T HN 0.294 nan 8.240 nan 0.000 0.438 157 L N 4.360 125.631 121.223 0.080 0.000 2.354 157 L HA 0.912 5.258 4.340 0.009 0.000 0.269 157 L C -1.430 175.524 176.870 0.139 0.000 1.005 157 L CA -0.635 54.257 54.840 0.087 0.000 0.819 157 L CB 1.867 43.970 42.059 0.074 0.000 1.311 157 L HN 0.445 nan 8.230 nan 0.000 0.423 158 V N 4.598 124.603 119.914 0.152 0.000 2.638 158 V HA 0.361 4.486 4.120 0.009 0.000 0.306 158 V C -1.404 174.876 176.094 0.309 0.000 1.052 158 V CA -0.516 61.923 62.300 0.231 0.000 0.885 158 V CB 1.629 33.533 31.823 0.134 0.000 0.999 158 V HN 0.734 nan 8.190 nan 0.000 0.424 159 Y N 3.831 124.273 120.300 0.236 0.000 2.356 159 Y HA 0.333 4.889 4.550 0.010 0.000 0.334 159 Y C 1.483 177.558 175.900 0.291 0.000 0.958 159 Y CA -0.158 58.059 58.100 0.196 0.000 1.196 159 Y CB 2.045 40.604 38.460 0.164 0.000 1.137 159 Y HN 0.786 nan 8.280 nan 0.000 0.485 160 S N 3.931 119.632 115.700 0.002 0.000 2.399 160 S HA 0.101 4.576 4.470 0.009 0.000 0.231 160 S C 1.354 175.690 174.600 -0.440 0.000 1.022 160 S CA 0.868 58.939 58.200 -0.215 0.000 0.983 160 S CB -0.783 62.188 63.200 -0.381 0.000 0.803 160 S HN 1.463 nan 8.310 nan 0.000 0.480 161 G N 1.632 109.863 108.800 -0.949 0.000 2.550 161 G HA2 -0.219 3.747 3.960 0.009 0.000 0.277 161 G HA3 -0.219 3.747 3.960 0.009 0.000 0.277 161 G C -1.034 173.702 174.900 -0.273 0.000 1.190 161 G CA 0.310 45.068 45.100 -0.570 0.000 0.971 161 G HN 0.542 nan 8.290 nan 0.000 0.559 162 D N 0.793 121.013 120.400 -0.300 0.000 2.308 162 D HA 0.604 5.249 4.640 0.009 0.000 0.242 162 D C 0.237 176.200 176.300 -0.562 0.000 1.059 162 D CA -0.505 53.163 54.000 -0.553 0.000 0.830 162 D CB 1.423 41.620 40.800 -1.005 0.000 1.161 162 D HN 0.309 nan 8.370 nan 0.000 0.494 163 L N 1.532 122.480 121.223 -0.458 0.000 2.357 163 L HA 0.528 4.873 4.340 0.009 0.000 0.273 163 L C 1.406 178.155 176.870 -0.203 0.000 1.080 163 L CA -0.467 54.142 54.840 -0.385 0.000 0.803 163 L CB 0.859 42.575 42.059 -0.571 0.000 1.174 163 L HN 0.342 nan 8.230 nan 0.000 0.443 164 G N 1.026 109.761 108.800 -0.108 0.000 2.588 164 G HA2 0.103 4.068 3.960 0.009 0.000 0.281 164 G HA3 0.103 4.068 3.960 0.009 0.000 0.281 164 G C -0.070 174.810 174.900 -0.033 0.000 1.236 164 G CA -0.375 44.706 45.100 -0.031 0.000 0.969 164 G HN 0.617 nan 8.290 nan 0.000 0.504 165 N N -0.113 118.565 118.700 -0.038 0.000 2.558 165 N HA 0.035 4.781 4.740 0.009 0.000 0.233 165 N C 1.744 177.215 175.510 -0.065 0.000 1.038 165 N CA -0.598 52.437 53.050 -0.027 0.000 0.934 165 N CB 0.709 39.148 38.487 -0.081 0.000 1.175 165 N HN 0.600 nan 8.380 nan 0.000 0.512 166 R N 2.168 122.650 120.500 -0.029 0.000 2.355 166 R HA -0.061 4.285 4.340 0.009 0.000 0.219 166 R C 0.462 176.733 176.300 -0.048 0.000 1.107 166 R CA 1.130 57.212 56.100 -0.030 0.000 1.021 166 R CB -0.059 30.248 30.300 0.011 0.000 0.852 166 R HN 0.509 nan 8.270 nan 0.000 0.475 167 E N 1.152 121.313 120.200 -0.064 0.000 2.216 167 E HA -0.027 4.328 4.350 0.009 0.000 0.192 167 E C 0.111 176.563 176.600 -0.246 0.000 0.988 167 E CA 0.560 56.926 56.400 -0.057 0.000 0.834 167 E CB 0.180 29.898 29.700 0.030 0.000 0.772 167 E HN 0.373 nan 8.360 nan 0.000 0.479 168 K N 0.822 120.917 120.400 -0.509 0.000 2.187 168 K HA -0.001 4.324 4.320 0.009 0.000 0.247 168 K C 0.379 176.756 176.600 -0.372 0.000 1.019 168 K CA 0.093 55.831 56.287 -0.916 0.000 0.893 168 K CB 0.476 32.551 32.500 -0.707 0.000 1.025 168 K HN -0.101 nan 8.250 nan 0.000 0.500 169 D N -0.160 120.094 120.400 -0.243 0.000 2.388 169 D HA -0.027 4.618 4.640 0.009 0.000 0.208 169 D C 1.659 177.895 176.300 -0.106 0.000 1.035 169 D CA 0.406 54.383 54.000 -0.039 0.000 0.875 169 D CB 0.119 41.024 40.800 0.174 0.000 0.984 169 D HN 0.139 nan 8.370 nan 0.000 0.508 170 V N 1.125 120.929 119.914 -0.184 0.000 2.261 170 V HA -0.139 3.986 4.120 0.009 0.000 0.246 170 V C 1.025 177.192 176.094 0.122 0.000 1.047 170 V CA 1.079 63.304 62.300 -0.125 0.000 1.015 170 V CB -0.215 31.605 31.823 -0.005 0.000 0.642 170 V HN 0.113 nan 8.190 nan 0.000 0.446 171 L N 0.688 121.941 121.223 0.051 0.000 2.399 171 L HA 0.460 4.806 4.340 0.009 0.000 0.265 171 L C -2.099 174.767 176.870 -0.007 0.000 1.089 171 L CA -2.539 52.316 54.840 0.024 0.000 0.802 171 L CB 0.254 42.275 42.059 -0.063 0.000 1.180 171 L HN 0.087 nan 8.230 nan 0.000 0.454 172 P HA 0.116 nan 4.420 nan 0.000 0.276 172 P C -0.960 176.316 177.300 -0.040 0.000 1.252 172 P CA -0.651 62.430 63.100 -0.032 0.000 0.802 172 P CB 0.673 32.334 31.700 -0.064 0.000 1.035 173 D N 1.610 122.000 120.400 -0.018 0.000 2.472 173 D HA 0.109 4.754 4.640 0.009 0.000 0.237 173 D C -1.957 174.354 176.300 0.018 0.000 1.141 173 D CA -0.543 53.458 54.000 0.002 0.000 0.875 173 D CB -0.783 40.032 40.800 0.024 0.000 1.192 173 D HN 0.203 nan 8.370 nan 0.000 0.450 174 P HA -0.004 nan 4.420 nan 0.000 0.266 174 P C -0.174 177.260 177.300 0.224 0.000 1.195 174 P CA 0.033 63.200 63.100 0.112 0.000 0.768 174 P CB 0.626 32.362 31.700 0.059 0.000 0.838 175 S N 2.655 118.565 115.700 0.351 0.000 2.617 175 S HA 0.295 4.770 4.470 0.009 0.000 0.269 175 S C -0.009 174.862 174.600 0.451 0.000 1.292 175 S CA -0.640 57.777 58.200 0.362 0.000 1.010 175 S CB -0.054 63.370 63.200 0.374 0.000 0.944 175 S HN 0.254 nan 8.310 nan 0.000 0.536 176 L N 4.447 125.787 121.223 0.194 0.000 2.417 176 L HA 0.408 4.753 4.340 0.009 0.000 0.268 176 L C -1.650 175.088 176.870 -0.221 0.000 1.158 176 L CA -1.729 53.051 54.840 -0.100 0.000 0.819 176 L CB 0.915 42.907 42.059 -0.113 0.000 1.112 176 L HN 0.609 nan 8.230 nan 0.000 0.458 177 P HA 0.326 nan 4.420 nan 0.000 0.281 177 P C -2.719 174.392 177.300 -0.316 0.000 1.264 177 P CA -1.577 61.112 63.100 -0.684 0.000 0.824 177 P CB 0.452 31.339 31.700 -1.354 0.000 1.092 178 P HA 0.190 nan 4.420 nan 0.000 0.276 178 P C -0.380 176.859 177.300 -0.101 0.000 1.261 178 P CA -0.491 62.588 63.100 -0.035 0.000 0.800 178 P CB 0.475 32.225 31.700 0.083 0.000 1.066 179 L N 0.919 122.101 121.223 -0.069 0.000 2.410 179 L HA 0.422 4.767 4.340 0.009 0.000 0.273 179 L C -0.017 176.827 176.870 -0.043 0.000 1.144 179 L CA 0.255 55.049 54.840 -0.075 0.000 0.863 179 L CB -0.623 41.405 42.059 -0.052 0.000 1.140 179 L HN 0.571 nan 8.230 nan 0.000 0.463 180 A N 3.759 126.547 122.820 -0.053 0.000 2.435 180 A HA 0.512 4.837 4.320 0.009 0.000 0.296 180 A C 0.345 177.918 177.584 -0.017 0.000 1.147 180 A CA -0.524 51.501 52.037 -0.019 0.000 0.775 180 A CB 0.784 19.779 19.000 -0.010 0.000 1.340 180 A HN 0.746 nan 8.150 nan 0.000 0.427 181 D N -0.818 119.581 120.400 -0.002 0.000 2.323 181 D HA 0.170 4.816 4.640 0.009 0.000 0.209 181 D C -0.387 175.911 176.300 -0.003 0.000 0.973 181 D CA 1.077 55.074 54.000 -0.005 0.000 0.874 181 D CB 0.448 41.247 40.800 -0.001 0.000 0.930 181 D HN 0.225 nan 8.370 nan 0.000 0.521 182 L N 0.084 121.309 121.223 0.004 0.000 2.545 182 L HA 0.298 4.644 4.340 0.009 0.000 0.258 182 L C -1.887 174.998 176.870 0.025 0.000 0.942 182 L CA -0.704 54.141 54.840 0.008 0.000 0.855 182 L CB 2.483 44.546 42.059 0.007 0.000 1.374 182 L HN -0.348 nan 8.230 nan 0.000 0.411 183 V N 4.688 124.621 119.914 0.032 0.000 2.482 183 V HA 0.462 4.587 4.120 0.009 0.000 0.295 183 V C -0.722 175.430 176.094 0.097 0.000 1.026 183 V CA -0.516 61.829 62.300 0.074 0.000 0.856 183 V CB 1.610 33.468 31.823 0.057 0.000 1.001 183 V HN 0.655 nan 8.190 nan 0.000 0.424 184 L N 5.283 126.585 121.223 0.132 0.000 2.278 184 L HA 0.830 5.175 4.340 0.009 0.000 0.287 184 L C 0.268 177.256 176.870 0.197 0.000 1.072 184 L CA 0.378 55.278 54.840 0.100 0.000 0.819 184 L CB 0.693 42.760 42.059 0.013 0.000 1.176 184 L HN 0.806 nan 8.230 nan 0.000 0.435 185 A N 4.189 127.091 122.820 0.136 0.000 2.435 185 A HA 0.676 5.002 4.320 0.009 0.000 0.304 185 A C -0.740 176.889 177.584 0.075 0.000 1.064 185 A CA -0.723 51.386 52.037 0.120 0.000 0.727 185 A CB 1.009 20.106 19.000 0.162 0.000 1.284 185 A HN 0.772 nan 8.150 nan 0.000 0.415 186 E N 0.502 120.709 120.200 0.013 0.000 2.392 186 E HA 0.519 4.874 4.350 0.009 0.000 0.259 186 E C 0.460 177.053 176.600 -0.012 0.000 1.108 186 E CA -0.003 56.401 56.400 0.007 0.000 0.916 186 E CB 0.823 30.425 29.700 -0.165 0.000 0.989 186 E HN 0.800 nan 8.360 nan 0.000 0.432 187 G N 1.231 110.035 108.800 0.007 0.000 5.252 187 G HA2 0.046 4.011 3.960 0.009 0.000 0.214 187 G HA3 0.046 4.011 3.960 0.009 0.000 0.214 187 G C 0.481 175.349 174.900 -0.053 0.000 0.817 187 G CA -0.028 45.066 45.100 -0.010 0.000 0.715 187 G HN 0.495 nan 8.290 nan 0.000 0.480 188 T N 0.161 114.651 114.554 -0.106 0.000 2.653 188 T HA -0.224 4.132 4.350 0.009 0.000 0.268 188 T C 0.971 175.414 174.700 -0.428 0.000 1.035 188 T CA 1.356 63.291 62.100 -0.275 0.000 1.154 188 T CB -0.200 68.362 68.868 -0.510 0.000 0.862 188 T HN 0.367 nan 8.240 nan 0.000 0.441 189 Y N 0.901 121.127 120.300 -0.123 0.000 2.764 189 Y HA 0.511 5.066 4.550 0.009 0.000 0.350 189 Y C 1.707 177.557 175.900 -0.083 0.000 0.982 189 Y CA -1.078 56.964 58.100 -0.096 0.000 1.431 189 Y CB 0.031 38.414 38.460 -0.128 0.000 1.326 189 Y HN 0.176 nan 8.280 nan 0.000 0.550 190 G N 0.086 108.882 108.800 -0.007 0.000 2.471 190 G HA2 -0.252 3.713 3.960 0.009 0.000 0.219 190 G HA3 -0.252 3.713 3.960 0.009 0.000 0.219 190 G C 1.345 176.253 174.900 0.013 0.000 1.125 190 G CA 1.247 46.351 45.100 0.006 0.000 0.775 190 G HN 0.516 nan 8.290 nan 0.000 0.548 191 D N 0.111 120.517 120.400 0.011 0.000 2.305 191 D HA 0.066 4.712 4.640 0.009 0.000 0.206 191 D C 1.111 177.435 176.300 0.040 0.000 0.974 191 D CA 0.257 54.270 54.000 0.023 0.000 0.871 191 D CB 0.105 40.916 40.800 0.018 0.000 0.947 191 D HN 0.464 nan 8.370 nan 0.000 0.516 192 R N -1.218 119.318 120.500 0.060 0.000 2.692 192 R HA 0.544 4.889 4.340 0.009 0.000 0.269 192 R C -3.128 173.155 176.300 -0.029 0.000 1.030 192 R CA -1.608 54.517 56.100 0.042 0.000 0.882 192 R CB -0.143 30.202 30.300 0.075 0.000 1.250 192 R HN -0.218 nan 8.270 nan 0.000 0.465 193 P HA 0.247 nan 4.420 nan 0.000 0.276 193 P C -0.812 176.384 177.300 -0.172 0.000 1.261 193 P CA -0.240 62.775 63.100 -0.142 0.000 0.800 193 P CB 0.583 32.259 31.700 -0.040 0.000 1.066 194 H N -0.285 118.771 119.070 -0.023 0.000 2.495 194 H HA 0.300 4.861 4.556 0.009 0.000 0.350 194 H C 0.590 175.918 175.328 -0.001 0.000 1.202 194 H CA -0.407 55.616 56.048 -0.041 0.000 1.322 194 H CB 0.818 30.523 29.762 -0.095 0.000 1.544 194 H HN 0.402 nan 8.280 nan 0.000 0.565 195 R N 1.744 122.337 120.500 0.154 0.000 2.590 195 R HA 0.120 4.465 4.340 0.009 0.000 0.274 195 R C -2.383 173.958 176.300 0.069 0.000 1.061 195 R CA -1.204 54.946 56.100 0.084 0.000 1.081 195 R CB -0.035 30.302 30.300 0.061 0.000 0.984 195 R HN 0.316 nan 8.270 nan 0.000 0.448 196 P HA -0.116 nan 4.420 nan 0.000 0.265 196 P C -0.582 176.734 177.300 0.026 0.000 1.187 196 P CA 0.390 63.521 63.100 0.052 0.000 0.766 196 P CB 0.279 31.999 31.700 0.033 0.000 0.820 197 Y N 4.371 124.622 120.300 -0.082 0.000 2.089 197 Y HA -0.280 4.275 4.550 0.009 0.000 0.282 197 Y C 2.267 178.080 175.900 -0.144 0.000 1.139 197 Y CA 1.490 59.499 58.100 -0.152 0.000 1.123 197 Y CB -0.055 38.342 38.460 -0.105 0.000 0.980 197 Y HN 0.217 nan 8.280 nan 0.000 0.493 198 R N 0.139 120.535 120.500 -0.172 0.000 2.117 198 R HA -0.251 4.094 4.340 0.009 0.000 0.243 198 R C 2.273 178.431 176.300 -0.237 0.000 1.143 198 R CA 1.887 57.847 56.100 -0.232 0.000 0.968 198 R CB -0.448 29.819 30.300 -0.055 0.000 0.863 198 R HN 0.547 nan 8.270 nan 0.000 0.444 199 E N 0.001 120.106 120.200 -0.160 0.000 2.150 199 E HA -0.125 4.230 4.350 0.009 0.000 0.193 199 E C 1.319 177.825 176.600 -0.157 0.000 0.985 199 E CA 1.361 57.689 56.400 -0.119 0.000 0.814 199 E CB 0.200 29.864 29.700 -0.060 0.000 0.752 199 E HN 0.222 nan 8.360 nan 0.000 0.466 200 T N 0.264 114.666 114.554 -0.253 0.000 2.777 200 T HA -0.097 4.258 4.350 0.009 0.000 0.266 200 T C 1.905 176.413 174.700 -0.319 0.000 1.040 200 T CA 1.115 63.031 62.100 -0.307 0.000 1.141 200 T CB -0.108 68.451 68.868 -0.515 0.000 0.868 200 T HN 0.017 nan 8.240 nan 0.000 0.444 201 V N 1.782 121.405 119.914 -0.486 0.000 2.295 201 V HA -0.171 3.954 4.120 0.009 0.000 0.246 201 V C 2.777 178.820 176.094 -0.084 0.000 1.049 201 V CA 1.503 63.633 62.300 -0.283 0.000 1.024 201 V CB -0.476 31.070 31.823 -0.461 0.000 0.648 201 V HN 0.285 nan 8.190 nan 0.000 0.447 202 R N 0.128 120.535 120.500 -0.156 0.000 2.083 202 R HA -0.184 4.161 4.340 0.009 0.000 0.237 202 R C 2.239 178.507 176.300 -0.053 0.000 1.137 202 R CA 1.852 57.884 56.100 -0.114 0.000 0.951 202 R CB -0.921 29.312 30.300 -0.113 0.000 0.851 202 R HN 0.734 nan 8.270 nan 0.000 0.434 203 E N -0.239 119.943 120.200 -0.030 0.000 2.118 203 E HA -0.197 4.158 4.350 0.009 0.000 0.195 203 E C 1.840 178.461 176.600 0.036 0.000 0.992 203 E CA 0.977 57.376 56.400 -0.002 0.000 0.804 203 E CB -0.210 29.503 29.700 0.021 0.000 0.741 203 E HN 0.317 nan 8.360 nan 0.000 0.458 204 F N 0.983 120.905 119.950 -0.047 0.000 2.102 204 F HA -0.165 4.367 4.527 0.009 0.000 0.298 204 F C 1.938 177.714 175.800 -0.040 0.000 1.105 204 F CA 1.245 59.255 58.000 0.016 0.000 1.239 204 F CB 0.007 39.125 39.000 0.196 0.000 0.991 204 F HN 0.001 nan 8.300 nan 0.000 0.474 205 L N 0.153 121.345 121.223 -0.053 0.000 2.083 205 L HA -0.206 4.140 4.340 0.009 0.000 0.209 205 L C 2.315 179.062 176.870 -0.206 0.000 1.083 205 L CA 1.600 56.333 54.840 -0.179 0.000 0.752 205 L CB -0.802 41.191 42.059 -0.109 0.000 0.899 205 L HN 0.203 nan 8.230 nan 0.000 0.433 206 E N 0.383 120.492 120.200 -0.152 0.000 2.077 206 E HA -0.219 4.136 4.350 0.009 0.000 0.193 206 E C 2.258 178.751 176.600 -0.178 0.000 0.989 206 E CA 1.239 57.556 56.400 -0.137 0.000 0.800 206 E CB -0.133 29.509 29.700 -0.095 0.000 0.746 206 E HN 0.506 nan 8.360 nan 0.000 0.452 207 I N 0.923 121.345 120.570 -0.246 0.000 2.315 207 I HA -0.255 3.921 4.170 0.009 0.000 0.248 207 I C 2.321 178.266 176.117 -0.287 0.000 1.117 207 I CA 0.882 61.998 61.300 -0.308 0.000 1.404 207 I CB -0.143 37.583 38.000 -0.456 0.000 1.071 207 I HN 0.107 nan 8.210 nan 0.000 0.419 208 L N 0.231 121.234 121.223 -0.367 0.000 2.044 208 L HA -0.193 4.152 4.340 0.009 0.000 0.205 208 L C 2.588 179.330 176.870 -0.213 0.000 1.075 208 L CA 1.373 56.012 54.840 -0.335 0.000 0.747 208 L CB -0.493 41.291 42.059 -0.459 0.000 0.903 208 L HN 0.236 nan 8.230 nan 0.000 0.435 209 E N 0.379 120.463 120.200 -0.194 0.000 2.038 209 E HA -0.319 4.037 4.350 0.009 0.000 0.195 209 E C 2.119 178.655 176.600 -0.108 0.000 1.000 209 E CA 1.690 58.008 56.400 -0.137 0.000 0.803 209 E CB 0.115 29.740 29.700 -0.126 0.000 0.750 209 E HN 0.118 nan 8.360 nan 0.000 0.448 210 K N -0.062 120.273 120.400 -0.107 0.000 2.032 210 K HA -0.119 4.206 4.320 0.009 0.000 0.209 210 K C 1.990 178.549 176.600 -0.068 0.000 1.048 210 K CA 2.289 58.530 56.287 -0.077 0.000 0.927 210 K CB -0.644 31.814 32.500 -0.071 0.000 0.712 210 K HN 0.079 nan 8.250 nan 0.000 0.441 211 T N 1.225 115.728 114.554 -0.085 0.000 2.737 211 T HA -0.044 4.311 4.350 0.009 0.000 0.265 211 T C 1.729 176.393 174.700 -0.061 0.000 1.038 211 T CA 1.518 63.577 62.100 -0.067 0.000 1.144 211 T CB -0.209 68.611 68.868 -0.081 0.000 0.866 211 T HN 0.125 nan 8.240 nan 0.000 0.434 212 L N 0.895 122.072 121.223 -0.078 0.000 2.201 212 L HA -0.036 4.309 4.340 0.009 0.000 0.212 212 L C 2.784 179.624 176.870 -0.051 0.000 1.105 212 L CA 0.672 55.473 54.840 -0.065 0.000 0.775 212 L CB -0.572 41.438 42.059 -0.081 0.000 0.913 212 L HN 0.222 nan 8.230 nan 0.000 0.440 213 S N 0.014 115.682 115.700 -0.053 0.000 2.383 213 S HA -0.188 4.287 4.470 0.009 0.000 0.227 213 S C 1.714 176.296 174.600 -0.030 0.000 1.026 213 S CA 1.255 59.430 58.200 -0.041 0.000 0.981 213 S CB -0.143 63.032 63.200 -0.042 0.000 0.818 213 S HN 0.600 nan 8.310 nan 0.000 0.472 214 Q N 0.379 120.161 119.800 -0.029 0.000 2.322 214 Q HA 0.349 4.694 4.340 0.009 0.000 0.203 214 Q C 0.867 176.857 176.000 -0.018 0.000 0.923 214 Q CA 0.435 56.225 55.803 -0.020 0.000 0.949 214 Q CB -0.135 28.593 28.738 -0.017 0.000 1.039 214 Q HN 0.384 nan 8.270 nan 0.000 0.496 215 G N 0.319 109.106 108.800 -0.021 0.000 2.198 215 G HA2 -0.248 3.717 3.960 0.009 0.000 0.257 215 G HA3 -0.248 3.717 3.960 0.009 0.000 0.257 215 G C 0.274 175.165 174.900 -0.014 0.000 1.042 215 G CA -0.089 45.001 45.100 -0.016 0.000 0.791 215 G HN 0.695 nan 8.290 nan 0.000 0.502 216 G N -0.919 107.869 108.800 -0.020 0.000 2.522 216 G HA2 0.622 4.588 3.960 0.009 0.000 0.304 216 G HA3 0.622 4.588 3.960 0.009 0.000 0.304 216 G C -0.082 174.805 174.900 -0.022 0.000 1.210 216 G CA -0.824 44.266 45.100 -0.018 0.000 0.960 216 G HN 0.394 nan 8.290 nan 0.000 0.497 217 K N -0.219 120.169 120.400 -0.020 0.000 2.185 217 K HA 0.439 4.765 4.320 0.009 0.000 0.269 217 K C -0.955 175.622 176.600 -0.038 0.000 0.987 217 K CA -0.552 55.720 56.287 -0.026 0.000 0.865 217 K CB 2.398 34.881 32.500 -0.028 0.000 1.090 217 K HN 0.126 nan 8.250 nan 0.000 0.450 218 V N 5.052 124.937 119.914 -0.049 0.000 2.318 218 V HA 0.141 4.266 4.120 0.009 0.000 0.271 218 V C -0.605 175.457 176.094 -0.053 0.000 1.030 218 V CA -0.826 61.437 62.300 -0.061 0.000 0.844 218 V CB 0.633 32.398 31.823 -0.097 0.000 1.015 218 V HN 0.503 nan 8.190 nan 0.000 0.460 219 L N 7.045 128.233 121.223 -0.058 0.000 2.265 219 L HA 0.535 4.880 4.340 0.009 0.000 0.288 219 L C -0.084 176.740 176.870 -0.076 0.000 1.058 219 L CA -0.023 54.778 54.840 -0.064 0.000 0.809 219 L CB 0.977 43.002 42.059 -0.057 0.000 1.179 219 L HN 0.459 nan 8.230 nan 0.000 0.429 220 I N 5.336 125.878 120.570 -0.047 0.000 2.466 220 I HA 0.307 4.483 4.170 0.009 0.000 0.279 220 I C -2.315 173.768 176.117 -0.057 0.000 1.033 220 I CA -1.803 59.466 61.300 -0.051 0.000 1.123 220 I CB 1.790 39.794 38.000 0.005 0.000 1.237 220 I HN 0.357 nan 8.210 nan 0.000 0.460 221 P HA 0.129 nan 4.420 nan 0.000 0.271 221 P C -0.458 176.758 177.300 -0.140 0.000 1.226 221 P CA 0.134 63.193 63.100 -0.068 0.000 0.765 221 P CB 0.719 32.413 31.700 -0.011 0.000 0.835 222 T N 0.225 114.682 114.554 -0.162 0.000 2.896 222 T HA 0.619 4.974 4.350 0.009 0.000 0.297 222 T C -0.611 173.951 174.700 -0.229 0.000 1.108 222 T CA -0.795 61.170 62.100 -0.226 0.000 1.004 222 T CB 0.743 69.559 68.868 -0.087 0.000 1.159 222 T HN -0.022 nan 8.240 nan 0.000 0.499 223 F N 0.782 120.772 119.950 0.066 0.000 2.375 223 F HA 0.570 5.102 4.527 0.009 0.000 0.333 223 F C 1.757 177.590 175.800 0.054 0.000 1.104 223 F CA -0.924 57.120 58.000 0.073 0.000 1.149 223 F CB 1.053 40.104 39.000 0.085 0.000 1.190 223 F HN 0.857 nan 8.300 nan 0.000 0.533 224 A N 2.067 125.034 122.820 0.246 0.000 2.119 224 A HA 0.020 4.345 4.320 0.009 0.000 0.217 224 A C 1.757 179.398 177.584 0.095 0.000 1.153 224 A CA 1.046 53.159 52.037 0.126 0.000 0.692 224 A CB -0.547 18.512 19.000 0.098 0.000 0.799 224 A HN 0.613 nan 8.150 nan 0.000 0.458 225 V N -1.210 118.800 119.914 0.160 0.000 2.500 225 V HA -0.002 4.123 4.120 0.009 0.000 0.243 225 V C 2.189 178.340 176.094 0.095 0.000 1.039 225 V CA 1.857 64.222 62.300 0.110 0.000 1.053 225 V CB 0.040 31.944 31.823 0.134 0.000 0.695 225 V HN 0.627 nan 8.190 nan 0.000 0.463 226 E N -1.009 119.270 120.200 0.131 0.000 2.614 226 E HA 0.048 4.403 4.350 0.009 0.000 0.201 226 E C 2.094 178.767 176.600 0.121 0.000 0.889 226 E CA -0.078 56.401 56.400 0.131 0.000 1.564 226 E CB 0.475 30.210 29.700 0.059 0.000 1.623 226 E HN 0.204 nan 8.360 nan 0.000 0.898 227 R N 1.710 122.302 120.500 0.153 0.000 2.080 227 R HA 0.030 4.375 4.340 0.009 0.000 0.236 227 R C 2.081 178.408 176.300 0.045 0.000 1.137 227 R CA 2.192 58.368 56.100 0.127 0.000 0.943 227 R CB -0.926 29.516 30.300 0.237 0.000 0.846 227 R HN 0.146 nan 8.270 nan 0.000 0.431 228 A N 0.149 122.994 122.820 0.040 0.000 1.865 228 A HA -0.239 4.086 4.320 0.009 0.000 0.217 228 A C 2.087 179.680 177.584 0.015 0.000 1.191 228 A CA 1.914 53.952 52.037 0.002 0.000 0.623 228 A CB -0.677 18.321 19.000 -0.004 0.000 0.826 228 A HN 0.458 nan 8.150 nan 0.000 0.444 229 Q N -0.532 119.258 119.800 -0.017 0.000 2.170 229 Q HA -0.153 4.192 4.340 0.009 0.000 0.203 229 Q C 1.917 178.083 176.000 0.277 0.000 0.976 229 Q CA 1.668 57.477 55.803 0.010 0.000 0.858 229 Q CB -0.272 28.251 28.738 -0.359 0.000 0.907 229 Q HN 0.870 nan 8.270 nan 0.000 0.433 230 E N -0.100 120.231 120.200 0.220 0.000 2.107 230 E HA -0.159 4.196 4.350 0.009 0.000 0.191 230 E C 1.474 178.216 176.600 0.237 0.000 0.982 230 E CA 0.650 57.220 56.400 0.282 0.000 0.809 230 E CB 0.129 29.941 29.700 0.186 0.000 0.756 230 E HN 0.239 nan 8.360 nan 0.000 0.459 231 I N 1.312 121.918 120.570 0.060 0.000 2.179 231 I HA -0.276 3.899 4.170 0.009 0.000 0.242 231 I C 2.468 178.669 176.117 0.140 0.000 1.088 231 I CA 1.134 62.414 61.300 -0.034 0.000 1.357 231 I CB -1.242 36.684 38.000 -0.125 0.000 1.051 231 I HN 0.274 nan 8.210 nan 0.000 0.409 232 L N -0.496 120.825 121.223 0.163 0.000 2.043 232 L HA -0.294 4.051 4.340 0.009 0.000 0.212 232 L C 2.744 179.743 176.870 0.214 0.000 1.075 232 L CA 1.639 56.584 54.840 0.175 0.000 0.752 232 L CB -1.006 41.153 42.059 0.166 0.000 0.891 232 L HN 0.193 nan 8.230 nan 0.000 0.432 233 Y N 0.319 120.716 120.300 0.161 0.000 2.165 233 Y HA -0.249 4.306 4.550 0.009 0.000 0.286 233 Y C 2.413 178.369 175.900 0.093 0.000 1.155 233 Y CA 1.697 59.822 58.100 0.042 0.000 1.164 233 Y CB -0.212 38.272 38.460 0.041 0.000 0.978 233 Y HN -0.158 nan 8.280 nan 0.000 0.513 234 V N 0.451 120.537 119.914 0.287 0.000 2.343 234 V HA -0.326 3.799 4.120 0.009 0.000 0.247 234 V C 2.433 178.626 176.094 0.164 0.000 1.051 234 V CA 2.030 64.498 62.300 0.280 0.000 1.036 234 V CB -0.726 31.328 31.823 0.384 0.000 0.654 234 V HN 0.455 nan 8.190 nan 0.000 0.451 235 L N -1.266 120.056 121.223 0.165 0.000 2.083 235 L HA -0.223 4.122 4.340 0.009 0.000 0.209 235 L C 2.483 179.356 176.870 0.006 0.000 1.083 235 L CA 1.981 56.882 54.840 0.101 0.000 0.752 235 L CB -0.693 41.430 42.059 0.106 0.000 0.899 235 L HN 0.436 nan 8.230 nan 0.000 0.433 236 Y N 1.290 121.499 120.300 -0.151 0.000 2.184 236 Y HA -0.238 4.317 4.550 0.009 0.000 0.290 236 Y C 2.895 178.611 175.900 -0.306 0.000 1.129 236 Y CA 1.914 59.868 58.100 -0.242 0.000 1.144 236 Y CB -0.512 37.736 38.460 -0.354 0.000 0.995 236 Y HN 0.241 nan 8.280 nan 0.000 0.513 237 T N -3.167 111.020 114.554 -0.612 0.000 3.055 237 T HA -0.074 4.281 4.350 0.009 0.000 0.265 237 T C 1.090 175.339 174.700 -0.751 0.000 1.111 237 T CA 1.633 63.261 62.100 -0.787 0.000 1.118 237 T CB -0.277 68.083 68.868 -0.848 0.000 0.909 237 T HN 0.525 nan 8.240 nan 0.000 0.501 238 H N -0.916 118.057 119.070 -0.162 0.000 3.535 238 H HA 0.379 4.940 4.556 0.009 0.000 0.260 238 H C 2.202 177.354 175.328 -0.293 0.000 1.173 238 H CA 0.209 56.165 56.048 -0.153 0.000 1.168 238 H CB 0.193 29.899 29.762 -0.092 0.000 1.568 238 H HN 0.476 nan 8.280 nan 0.000 0.602 239 G N 1.297 110.027 108.800 -0.116 0.000 2.535 239 G HA2 -0.272 3.693 3.960 0.009 0.000 0.218 239 G HA3 -0.272 3.693 3.960 0.009 0.000 0.218 239 G C 1.434 176.234 174.900 -0.168 0.000 1.122 239 G CA 1.037 46.059 45.100 -0.129 0.000 0.769 239 G HN 0.574 nan 8.290 nan 0.000 0.549 240 H N 0.887 119.894 119.070 -0.106 0.000 2.457 240 H HA -0.103 4.458 4.556 0.009 0.000 0.297 240 H C 2.095 177.385 175.328 -0.063 0.000 1.092 240 H CA 1.359 57.348 56.048 -0.098 0.000 1.309 240 H CB -0.233 29.456 29.762 -0.122 0.000 1.382 240 H HN 0.499 nan 8.280 nan 0.000 0.535 241 R N 0.826 120.974 120.500 -0.586 0.000 2.426 241 R HA 0.292 4.637 4.340 0.009 0.000 0.263 241 R C -0.546 175.643 176.300 -0.184 0.000 0.961 241 R CA -0.138 55.776 56.100 -0.310 0.000 1.086 241 R CB 0.089 30.152 30.300 -0.394 0.000 1.186 241 R HN 0.264 nan 8.270 nan 0.000 0.537 242 L N 2.045 123.174 121.223 -0.157 0.000 2.330 242 L HA 0.554 4.899 4.340 0.009 0.000 0.271 242 L C -1.947 174.872 176.870 -0.084 0.000 1.013 242 L CA -2.747 52.020 54.840 -0.121 0.000 0.816 242 L CB 1.697 43.680 42.059 -0.128 0.000 1.287 242 L HN -0.002 nan 8.230 nan 0.000 0.435 243 P HA 0.107 nan 4.420 nan 0.000 0.272 243 P C -0.771 176.496 177.300 -0.055 0.000 1.230 243 P CA -0.457 62.609 63.100 -0.056 0.000 0.788 243 P CB 0.628 32.297 31.700 -0.053 0.000 0.949 244 R N 0.571 121.045 120.500 -0.043 0.000 2.522 244 R HA 0.455 4.800 4.340 0.009 0.000 0.284 244 R C -0.105 176.166 176.300 -0.047 0.000 1.032 244 R CA 0.383 56.457 56.100 -0.043 0.000 1.049 244 R CB 0.061 30.341 30.300 -0.033 0.000 0.956 244 R HN 0.674 nan 8.270 nan 0.000 0.422 245 A N 5.172 127.956 122.820 -0.060 0.000 2.582 245 A HA 0.414 4.739 4.320 0.009 0.000 0.297 245 A C -2.654 174.863 177.584 -0.111 0.000 1.059 245 A CA -1.334 50.664 52.037 -0.066 0.000 0.705 245 A CB 1.550 20.516 19.000 -0.058 0.000 1.279 245 A HN 0.507 nan 8.150 nan 0.000 0.404 246 P HA 0.480 nan 4.420 nan 0.000 0.271 246 P C -0.830 176.223 177.300 -0.412 0.000 1.218 246 P CA 0.113 63.003 63.100 -0.349 0.000 0.780 246 P CB 0.762 32.165 31.700 -0.494 0.000 0.901 247 I N 2.896 123.203 120.570 -0.438 0.000 2.390 247 I HA 0.215 4.390 4.170 0.009 0.000 0.283 247 I C -0.424 175.491 176.117 -0.336 0.000 1.016 247 I CA -0.820 60.316 61.300 -0.272 0.000 1.151 247 I CB 0.685 38.610 38.000 -0.124 0.000 1.293 247 I HN 0.255 nan 8.210 nan 0.000 0.458 248 Y N 6.465 126.749 120.300 -0.028 0.000 2.404 248 Y HA 0.285 4.840 4.550 0.009 0.000 0.344 248 Y C 0.103 175.994 175.900 -0.015 0.000 0.970 248 Y CA -0.785 57.301 58.100 -0.024 0.000 1.180 248 Y CB 0.987 39.424 38.460 -0.039 0.000 1.138 248 Y HN 0.411 nan 8.280 nan 0.000 0.510 249 L N 4.727 126.015 121.223 0.107 0.000 2.375 249 L HA 0.207 4.552 4.340 0.009 0.000 0.276 249 L C 0.074 176.996 176.870 0.088 0.000 1.162 249 L CA -0.050 54.832 54.840 0.069 0.000 0.991 249 L CB -0.384 41.691 42.059 0.027 0.000 1.315 249 L HN 0.515 nan 8.230 nan 0.000 0.431 250 D N 2.151 122.617 120.400 0.111 0.000 2.801 250 D HA 0.136 4.781 4.640 0.009 0.000 0.232 250 D C -0.546 175.800 176.300 0.076 0.000 1.128 250 D CA 0.349 54.416 54.000 0.110 0.000 1.003 250 D CB -0.035 40.872 40.800 0.180 0.000 1.110 250 D HN 0.370 nan 8.370 nan 0.000 0.477 251 S N 1.315 117.040 115.700 0.042 0.000 2.614 251 S HA 0.356 4.832 4.470 0.009 0.000 0.259 251 S C -2.267 172.332 174.600 -0.000 0.000 1.118 251 S CA -1.080 57.135 58.200 0.025 0.000 1.065 251 S CB 1.513 64.733 63.200 0.034 0.000 1.121 251 S HN -0.087 nan 8.310 nan 0.000 0.458 252 P HA -0.108 nan 4.420 nan 0.000 0.215 252 P C 1.668 178.957 177.300 -0.018 0.000 1.153 252 P CA 0.972 64.049 63.100 -0.038 0.000 0.853 252 P CB 0.054 31.718 31.700 -0.060 0.000 0.788 253 M N -0.745 118.855 119.600 0.000 0.000 2.086 253 M HA -0.165 4.320 4.480 0.009 0.000 0.261 253 M C 1.958 178.254 176.300 -0.006 0.000 1.067 253 M CA 2.201 57.507 55.300 0.010 0.000 1.116 253 M CB -0.509 32.113 32.600 0.036 0.000 1.348 253 M HN -0.110 nan 8.290 nan 0.000 0.407 254 A N -0.132 122.684 122.820 -0.007 0.000 2.019 254 A HA -0.048 4.278 4.320 0.009 0.000 0.219 254 A C 2.167 179.705 177.584 -0.076 0.000 1.164 254 A CA 1.730 53.742 52.037 -0.041 0.000 0.644 254 A CB -1.423 17.564 19.000 -0.022 0.000 0.805 254 A HN 0.651 nan 8.150 nan 0.000 0.449 255 G N -0.241 108.531 108.800 -0.046 0.000 2.414 255 G HA2 -0.206 3.759 3.960 0.009 0.000 0.215 255 G HA3 -0.206 3.759 3.960 0.009 0.000 0.215 255 G C 1.733 176.603 174.900 -0.050 0.000 1.188 255 G CA 0.744 45.817 45.100 -0.046 0.000 0.783 255 G HN 0.564 nan 8.290 nan 0.000 0.537 256 R N -0.029 120.450 120.500 -0.035 0.000 2.091 256 R HA -0.047 4.299 4.340 0.009 0.000 0.238 256 R C 2.593 178.871 176.300 -0.036 0.000 1.136 256 R CA 1.234 57.320 56.100 -0.023 0.000 0.959 256 R CB -0.739 29.557 30.300 -0.008 0.000 0.856 256 R HN 0.315 nan 8.270 nan 0.000 0.437 257 V N 1.614 121.485 119.914 -0.071 0.000 2.358 257 V HA -0.213 3.912 4.120 0.009 0.000 0.246 257 V C 2.265 178.198 176.094 -0.270 0.000 1.047 257 V CA 1.395 63.625 62.300 -0.117 0.000 1.035 257 V CB -0.481 31.254 31.823 -0.146 0.000 0.658 257 V HN 0.202 nan 8.190 nan 0.000 0.452 258 L N 0.305 121.339 121.223 -0.314 0.000 2.017 258 L HA -0.143 4.202 4.340 0.009 0.000 0.208 258 L C 2.509 179.322 176.870 -0.096 0.000 1.073 258 L CA 2.218 56.850 54.840 -0.346 0.000 0.745 258 L CB -0.748 41.191 42.059 -0.200 0.000 0.894 258 L HN 0.277 nan 8.230 nan 0.000 0.432 259 S N -0.502 115.179 115.700 -0.032 0.000 2.400 259 S HA -0.160 4.315 4.470 0.009 0.000 0.232 259 S C 1.767 176.414 174.600 0.079 0.000 1.025 259 S CA 1.504 59.724 58.200 0.033 0.000 0.993 259 S CB -0.524 62.689 63.200 0.021 0.000 0.808 259 S HN 0.480 nan 8.310 nan 0.000 0.478 260 L N 0.422 121.698 121.223 0.088 0.000 2.240 260 L HA 0.128 4.474 4.340 0.009 0.000 0.211 260 L C 1.702 178.718 176.870 0.243 0.000 1.106 260 L CA 1.353 56.273 54.840 0.134 0.000 0.793 260 L CB -0.723 41.404 42.059 0.112 0.000 0.927 260 L HN 0.319 nan 8.230 nan 0.000 0.446 261 Y N 0.484 120.804 120.300 0.034 0.000 2.139 261 Y HA -0.247 4.308 4.550 0.009 0.000 0.282 261 Y C -0.227 175.746 175.900 0.121 0.000 1.179 261 Y CA 1.318 59.476 58.100 0.097 0.000 1.161 261 Y CB -1.424 36.992 38.460 -0.074 0.000 0.970 261 Y HN 0.302 nan 8.280 nan 0.000 0.511 262 P HA -0.138 nan 4.420 nan 0.000 0.222 262 P C 0.904 178.147 177.300 -0.095 0.000 1.147 262 P CA 1.510 64.606 63.100 -0.006 0.000 0.790 262 P CB 0.007 31.805 31.700 0.163 0.000 0.780 263 R N -1.019 119.494 120.500 0.022 0.000 2.193 263 R HA 0.124 4.470 4.340 0.009 0.000 0.213 263 R C 1.385 177.702 176.300 0.030 0.000 1.055 263 R CA 0.711 56.820 56.100 0.015 0.000 0.995 263 R CB -0.438 29.887 30.300 0.041 0.000 0.893 263 R HN 0.215 nan 8.270 nan 0.000 0.459 264 L N 0.141 121.402 121.223 0.063 0.000 2.791 264 L HA 0.149 4.494 4.340 0.009 0.000 0.239 264 L C 1.179 178.134 176.870 0.141 0.000 1.203 264 L CA -0.280 54.639 54.840 0.131 0.000 1.002 264 L CB 0.399 42.445 42.059 -0.022 0.000 1.295 264 L HN -0.044 nan 8.230 nan 0.000 0.504 265 V N 1.235 121.152 119.914 0.005 0.000 2.313 265 V HA -0.353 3.772 4.120 0.009 0.000 0.253 265 V C 2.763 178.919 176.094 0.103 0.000 1.070 265 V CA 2.592 64.881 62.300 -0.019 0.000 1.057 265 V CB -0.715 30.873 31.823 -0.392 0.000 0.653 265 V HN 0.754 nan 8.190 nan 0.000 0.450 266 R N -0.914 119.526 120.500 -0.100 0.000 2.285 266 R HA -0.153 4.192 4.340 0.009 0.000 0.213 266 R C 1.690 177.778 176.300 -0.354 0.000 1.068 266 R CA 1.623 57.587 56.100 -0.227 0.000 1.004 266 R CB -0.497 29.591 30.300 -0.354 0.000 0.873 266 R HN 0.522 nan 8.270 nan 0.000 0.467 267 Y N -0.121 120.050 120.300 -0.215 0.000 2.466 267 Y HA 0.266 4.821 4.550 0.009 0.000 0.272 267 Y C 0.195 175.779 175.900 -0.525 0.000 1.169 267 Y CA -0.349 57.522 58.100 -0.382 0.000 1.285 267 Y CB 0.148 38.286 38.460 -0.537 0.000 1.078 267 Y HN -0.111 nan 8.280 nan 0.000 0.523 268 F N -0.786 119.185 119.950 0.035 0.000 2.461 268 F HA 0.378 4.910 4.527 0.009 0.000 0.337 268 F C 1.046 176.858 175.800 0.019 0.000 1.079 268 F CA -1.528 56.493 58.000 0.036 0.000 1.032 268 F CB 0.307 39.383 39.000 0.126 0.000 1.327 268 F HN -0.286 nan 8.300 nan 0.000 0.491 269 S N 0.008 115.856 115.700 0.246 0.000 2.596 269 S HA 0.070 4.545 4.470 0.009 0.000 0.260 269 S C 0.880 175.565 174.600 0.141 0.000 1.336 269 S CA -0.639 57.638 58.200 0.127 0.000 0.993 269 S CB 0.658 63.914 63.200 0.093 0.000 0.923 269 S HN 0.574 nan 8.310 nan 0.000 0.567 270 E N 1.023 121.276 120.200 0.090 0.000 2.085 270 E HA -0.225 4.130 4.350 0.009 0.000 0.194 270 E C 1.891 178.554 176.600 0.106 0.000 0.994 270 E CA 1.662 58.111 56.400 0.082 0.000 0.801 270 E CB -0.610 29.119 29.700 0.049 0.000 0.743 270 E HN 0.941 nan 8.360 nan 0.000 0.453 271 E N 0.736 121.005 120.200 0.115 0.000 2.049 271 E HA -0.189 4.167 4.350 0.009 0.000 0.198 271 E C 2.124 178.872 176.600 0.246 0.000 1.007 271 E CA 1.733 58.221 56.400 0.147 0.000 0.809 271 E CB 0.079 29.893 29.700 0.189 0.000 0.749 271 E HN 0.036 nan 8.360 nan 0.000 0.450 272 V N 0.902 120.973 119.914 0.262 0.000 2.427 272 V HA -0.238 3.888 4.120 0.009 0.000 0.248 272 V C 2.373 178.682 176.094 0.358 0.000 1.051 272 V CA 1.966 64.436 62.300 0.283 0.000 1.048 272 V CB -0.480 31.421 31.823 0.130 0.000 0.666 272 V HN 0.335 nan 8.190 nan 0.000 0.456 273 Q N -0.292 119.699 119.800 0.318 0.000 2.119 273 Q HA -0.130 4.215 4.340 0.009 0.000 0.201 273 Q C 2.428 178.567 176.000 0.231 0.000 0.972 273 Q CA 1.577 57.565 55.803 0.308 0.000 0.847 273 Q CB -0.341 28.510 28.738 0.188 0.000 0.903 273 Q HN 0.679 nan 8.270 nan 0.000 0.433 274 A N 0.434 123.332 122.820 0.129 0.000 1.902 274 A HA -0.220 4.105 4.320 0.009 0.000 0.217 274 A C 1.496 179.076 177.584 -0.007 0.000 1.181 274 A CA 1.623 53.675 52.037 0.025 0.000 0.623 274 A CB -0.702 18.261 19.000 -0.061 0.000 0.818 274 A HN 0.376 nan 8.150 nan 0.000 0.443 275 H N -2.023 117.062 119.070 0.025 0.000 2.321 275 H HA -0.093 4.469 4.556 0.009 0.000 0.300 275 H C 1.723 176.997 175.328 -0.089 0.000 1.087 275 H CA 2.233 58.235 56.048 -0.077 0.000 1.319 275 H CB -0.268 29.370 29.762 -0.207 0.000 1.379 275 H HN 0.515 nan 8.280 nan 0.000 0.501 276 F N -0.231 119.794 119.950 0.124 0.000 2.171 276 F HA -0.148 4.384 4.527 0.009 0.000 0.300 276 F C 2.243 178.075 175.800 0.053 0.000 1.090 276 F CA 0.651 58.695 58.000 0.074 0.000 1.293 276 F CB -0.444 38.606 39.000 0.084 0.000 1.013 276 F HN 0.136 nan 8.300 nan 0.000 0.486 277 L N 0.278 121.634 121.223 0.222 0.000 2.083 277 L HA -0.195 4.150 4.340 0.009 0.000 0.209 277 L C 1.769 178.691 176.870 0.085 0.000 1.083 277 L CA 1.843 56.760 54.840 0.127 0.000 0.752 277 L CB -0.793 41.315 42.059 0.082 0.000 0.899 277 L HN 0.195 nan 8.230 nan 0.000 0.433 278 Q N -0.305 119.534 119.800 0.065 0.000 2.329 278 Q HA 0.231 4.576 4.340 0.009 0.000 0.208 278 Q C 1.065 177.092 176.000 0.045 0.000 0.934 278 Q CA 0.467 56.293 55.803 0.038 0.000 0.951 278 Q CB -0.120 28.627 28.738 0.015 0.000 1.017 278 Q HN 0.633 nan 8.270 nan 0.000 0.490 279 G N 1.809 110.654 108.800 0.074 0.000 2.198 279 G HA2 -0.308 3.658 3.960 0.009 0.000 0.260 279 G HA3 -0.308 3.658 3.960 0.009 0.000 0.260 279 G C -0.336 174.579 174.900 0.026 0.000 1.025 279 G CA 0.197 45.340 45.100 0.072 0.000 0.769 279 G HN 0.269 nan 8.290 nan 0.000 0.507 280 K N 0.177 120.560 120.400 -0.029 0.000 2.535 280 K HA 0.291 4.616 4.320 0.009 0.000 0.253 280 K C -0.413 175.924 176.600 -0.438 0.000 0.953 280 K CA -0.990 55.205 56.287 -0.154 0.000 0.863 280 K CB 1.095 33.554 32.500 -0.069 0.000 1.111 280 K HN 0.083 nan 8.250 nan 0.000 0.431 281 N N 4.912 123.333 118.700 -0.465 0.000 2.421 281 N HA 0.044 4.789 4.740 0.009 0.000 0.260 281 N C -1.666 173.322 175.510 -0.870 0.000 1.173 281 N CA -1.905 50.741 53.050 -0.673 0.000 0.960 281 N CB 0.721 39.102 38.487 -0.178 0.000 1.273 281 N HN 0.361 nan 8.380 nan 0.000 0.497 282 P HA -0.054 nan 4.420 nan 0.000 0.239 282 P C 0.170 176.911 177.300 -0.931 0.000 1.184 282 P CA 0.664 63.024 63.100 -1.232 0.000 0.760 282 P CB -0.122 30.915 31.700 -1.105 0.000 0.884 283 F N -0.170 119.587 119.950 -0.322 0.000 2.695 283 F HA 0.257 4.790 4.527 0.009 0.000 0.303 283 F C 1.353 177.074 175.800 -0.132 0.000 1.091 283 F CA -0.084 57.860 58.000 -0.094 0.000 1.300 283 F CB 0.158 39.169 39.000 0.019 0.000 1.071 283 F HN -0.273 nan 8.300 nan 0.000 0.578 284 R N 1.898 122.300 120.500 -0.163 0.000 2.477 284 R HA 0.257 4.602 4.340 0.009 0.000 0.285 284 R C -2.584 173.648 176.300 -0.113 0.000 1.415 284 R CA -1.585 54.450 56.100 -0.108 0.000 1.446 284 R CB 0.592 30.831 30.300 -0.101 0.000 1.110 284 R HN -0.059 nan 8.270 nan 0.000 0.590 285 P HA 0.077 nan 4.420 nan 0.000 0.274 285 P C -0.311 177.023 177.300 0.057 0.000 1.246 285 P CA -0.327 62.853 63.100 0.132 0.000 0.795 285 P CB 0.832 32.594 31.700 0.103 0.000 1.006 286 A N 0.596 123.455 122.820 0.065 0.000 2.531 286 A HA 0.400 4.726 4.320 0.009 0.000 0.236 286 A C 1.479 179.046 177.584 -0.030 0.000 1.062 286 A CA 0.752 52.796 52.037 0.013 0.000 0.760 286 A CB -1.495 17.509 19.000 0.008 0.000 0.995 286 A HN 0.930 nan 8.150 nan 0.000 0.501 287 G N 0.346 109.116 108.800 -0.051 0.000 2.179 287 G HA2 -0.143 3.822 3.960 0.009 0.000 0.260 287 G HA3 -0.143 3.822 3.960 0.009 0.000 0.260 287 G C 0.199 175.016 174.900 -0.139 0.000 0.977 287 G CA 0.353 45.393 45.100 -0.099 0.000 0.641 287 G HN 1.715 nan 8.290 nan 0.000 0.533 288 L N 0.771 121.940 121.223 -0.090 0.000 2.499 288 L HA 0.673 5.018 4.340 0.009 0.000 0.273 288 L C 0.060 176.874 176.870 -0.093 0.000 1.195 288 L CA 0.163 54.950 54.840 -0.088 0.000 0.882 288 L CB 0.906 42.941 42.059 -0.040 0.000 1.133 288 L HN 0.229 nan 8.230 nan 0.000 0.483 289 E N 3.000 123.134 120.200 -0.110 0.000 2.292 289 E HA 0.538 4.893 4.350 0.009 0.000 0.272 289 E C -1.598 175.019 176.600 0.028 0.000 0.881 289 E CA -0.453 55.919 56.400 -0.047 0.000 0.754 289 E CB 2.043 31.682 29.700 -0.102 0.000 1.201 289 E HN 0.352 nan 8.360 nan 0.000 0.425 290 V N 4.036 123.977 119.914 0.044 0.000 2.357 290 V HA 0.348 4.473 4.120 0.009 0.000 0.284 290 V C -0.452 175.675 176.094 0.056 0.000 1.018 290 V CA -0.873 61.453 62.300 0.044 0.000 0.841 290 V CB 1.550 33.380 31.823 0.012 0.000 0.991 290 V HN 0.513 nan 8.190 nan 0.000 0.437 291 V N 5.392 125.349 119.914 0.072 0.000 2.408 291 V HA 0.285 4.410 4.120 0.009 0.000 0.267 291 V C 1.046 177.115 176.094 -0.042 0.000 1.047 291 V CA -0.254 62.072 62.300 0.045 0.000 0.937 291 V CB 1.054 32.916 31.823 0.066 0.000 0.999 291 V HN 0.880 nan 8.190 nan 0.000 0.472 292 E N 2.697 122.824 120.200 -0.121 0.000 2.140 292 E HA 0.060 4.415 4.350 0.009 0.000 0.191 292 E C 0.224 176.452 176.600 -0.620 0.000 0.973 292 E CA 0.915 57.086 56.400 -0.382 0.000 0.829 292 E CB 0.253 29.652 29.700 -0.501 0.000 0.781 292 E HN 0.853 nan 8.360 nan 0.000 0.466 293 H N -1.259 117.816 119.070 0.009 0.000 2.737 293 H HA 0.275 4.836 4.556 0.009 0.000 0.358 293 H C 1.072 176.388 175.328 -0.020 0.000 1.187 293 H CA -0.292 55.753 56.048 -0.005 0.000 1.221 293 H CB 1.337 31.095 29.762 -0.007 0.000 1.799 293 H HN -0.256 nan 8.280 nan 0.000 0.568 294 T N 0.461 115.075 114.554 0.099 0.000 2.720 294 T HA -0.179 4.176 4.350 0.009 0.000 0.268 294 T C 1.407 176.098 174.700 -0.014 0.000 1.037 294 T CA 1.885 63.985 62.100 0.001 0.000 1.144 294 T CB -0.168 68.685 68.868 -0.024 0.000 0.864 294 T HN 0.550 nan 8.240 nan 0.000 0.444 295 E N 1.434 121.643 120.200 0.015 0.000 2.049 295 E HA -0.091 4.264 4.350 0.009 0.000 0.198 295 E C 2.407 178.999 176.600 -0.013 0.000 1.007 295 E CA 1.446 57.842 56.400 -0.008 0.000 0.809 295 E CB -0.573 29.126 29.700 -0.002 0.000 0.749 295 E HN 0.511 nan 8.360 nan 0.000 0.450 296 A N 0.162 122.989 122.820 0.012 0.000 1.930 296 A HA -0.168 4.157 4.320 0.009 0.000 0.217 296 A C 2.294 179.853 177.584 -0.040 0.000 1.175 296 A CA 1.697 53.727 52.037 -0.011 0.000 0.627 296 A CB -0.750 18.261 19.000 0.019 0.000 0.815 296 A HN 0.233 nan 8.150 nan 0.000 0.443 297 S N -0.314 115.377 115.700 -0.015 0.000 2.353 297 S HA -0.198 4.277 4.470 0.009 0.000 0.222 297 S C 2.059 176.671 174.600 0.020 0.000 1.035 297 S CA 1.859 60.068 58.200 0.015 0.000 1.025 297 S CB -0.300 62.894 63.200 -0.010 0.000 0.902 297 S HN 0.602 nan 8.310 nan 0.000 0.440 298 K N 0.743 121.111 120.400 -0.054 0.000 2.148 298 K HA 0.027 4.352 4.320 0.009 0.000 0.204 298 K C 2.328 178.887 176.600 -0.068 0.000 1.050 298 K CA 0.955 57.196 56.287 -0.076 0.000 0.942 298 K CB -0.355 32.074 32.500 -0.119 0.000 0.724 298 K HN 0.442 nan 8.250 nan 0.000 0.446 299 A N 1.573 124.353 122.820 -0.068 0.000 1.978 299 A HA -0.152 4.173 4.320 0.009 0.000 0.220 299 A C 2.065 179.590 177.584 -0.098 0.000 1.170 299 A CA 1.245 53.235 52.037 -0.079 0.000 0.636 299 A CB -0.613 18.346 19.000 -0.069 0.000 0.810 299 A HN 0.177 nan 8.150 nan 0.000 0.448 300 L N -0.159 120.997 121.223 -0.113 0.000 2.131 300 L HA -0.204 4.141 4.340 0.009 0.000 0.210 300 L C 2.028 178.850 176.870 -0.081 0.000 1.092 300 L CA 1.057 55.794 54.840 -0.171 0.000 0.759 300 L CB -0.711 41.176 42.059 -0.287 0.000 0.903 300 L HN 0.385 nan 8.230 nan 0.000 0.435 301 N N 0.476 119.174 118.700 -0.004 0.000 2.272 301 N HA -0.160 4.585 4.740 0.009 0.000 0.185 301 N C 1.719 177.182 175.510 -0.079 0.000 1.014 301 N CA 1.204 54.255 53.050 0.001 0.000 0.870 301 N CB -0.155 38.276 38.487 -0.094 0.000 0.975 301 N HN 0.424 nan 8.380 nan 0.000 0.433 302 R N -0.168 120.269 120.500 -0.104 0.000 2.308 302 R HA 0.316 4.661 4.340 0.009 0.000 0.202 302 R C 0.212 176.480 176.300 -0.053 0.000 0.898 302 R CA -0.143 55.906 56.100 -0.085 0.000 1.046 302 R CB 0.578 30.820 30.300 -0.098 0.000 1.026 302 R HN 0.018 nan 8.270 nan 0.000 0.512 303 A N 3.270 126.055 122.820 -0.058 0.000 2.331 303 A HA 0.376 4.701 4.320 0.009 0.000 0.283 303 A C -2.148 175.419 177.584 -0.029 0.000 1.142 303 A CA -1.466 50.544 52.037 -0.044 0.000 0.812 303 A CB 0.175 19.140 19.000 -0.059 0.000 1.074 303 A HN -0.060 nan 8.150 nan 0.000 0.497 304 P HA 0.253 nan 4.420 nan 0.000 0.274 304 P C 0.543 177.845 177.300 0.004 0.000 1.246 304 P CA 0.078 63.175 63.100 -0.005 0.000 0.795 304 P CB 0.738 32.437 31.700 -0.002 0.000 1.006 305 G N 0.723 109.525 108.800 0.003 0.000 2.553 305 G HA2 0.390 4.355 3.960 0.009 0.000 0.278 305 G HA3 0.390 4.355 3.960 0.009 0.000 0.278 305 G C -2.232 172.674 174.900 0.009 0.000 1.349 305 G CA -1.061 44.044 45.100 0.009 0.000 1.037 305 G HN 0.460 nan 8.290 nan 0.000 0.508 306 P HA 0.359 nan 4.420 nan 0.000 0.278 306 P C -0.527 176.783 177.300 0.017 0.000 1.238 306 P CA 0.076 63.174 63.100 -0.003 0.000 0.794 306 P CB 1.312 33.000 31.700 -0.020 0.000 0.955 307 M N 0.440 120.050 119.600 0.016 0.000 2.694 307 M HA 0.510 4.996 4.480 0.009 0.000 0.276 307 M C -2.156 174.157 176.300 0.022 0.000 1.167 307 M CA -0.995 54.339 55.300 0.055 0.000 0.849 307 M CB 1.671 34.386 32.600 0.192 0.000 1.705 307 M HN -0.073 nan 8.290 nan 0.000 0.504 308 V N 2.083 122.015 119.914 0.029 0.000 2.444 308 V HA 0.695 4.820 4.120 0.009 0.000 0.294 308 V C -0.845 175.287 176.094 0.063 0.000 1.022 308 V CA -0.650 61.654 62.300 0.006 0.000 0.850 308 V CB 1.808 33.616 31.823 -0.025 0.000 0.992 308 V HN 0.696 nan 8.190 nan 0.000 0.426 309 V N 6.562 126.487 119.914 0.019 0.000 2.409 309 V HA 0.500 4.625 4.120 0.009 0.000 0.291 309 V C -0.299 175.799 176.094 0.006 0.000 1.020 309 V CA -0.472 61.828 62.300 0.001 0.000 0.848 309 V CB 1.758 33.456 31.823 -0.207 0.000 0.990 309 V HN 0.641 nan 8.190 nan 0.000 0.430 310 L N 4.826 126.075 121.223 0.044 0.000 2.296 310 L HA 0.921 5.267 4.340 0.009 0.000 0.286 310 L C 0.140 177.049 176.870 0.065 0.000 1.023 310 L CA -0.151 54.712 54.840 0.038 0.000 0.812 310 L CB 1.595 43.673 42.059 0.033 0.000 1.223 310 L HN 0.801 nan 8.230 nan 0.000 0.421 311 A N 2.317 125.175 122.820 0.063 0.000 2.610 311 A HA 0.860 5.185 4.320 0.009 0.000 0.291 311 A C -0.620 176.992 177.584 0.046 0.000 1.086 311 A CA -0.218 51.874 52.037 0.092 0.000 0.677 311 A CB 1.535 20.659 19.000 0.206 0.000 1.278 311 A HN 0.678 nan 8.150 nan 0.000 0.414 312 G N -0.424 108.407 108.800 0.052 0.000 2.552 312 G HA2 0.560 4.525 3.960 0.009 0.000 0.324 312 G HA3 0.560 4.525 3.960 0.009 0.000 0.324 312 G C 0.104 175.035 174.900 0.051 0.000 1.217 312 G CA 0.257 45.380 45.100 0.038 0.000 0.989 312 G HN 1.347 nan 8.290 nan 0.000 0.490 313 S N -1.279 114.456 115.700 0.057 0.000 2.572 313 S HA 0.349 4.824 4.470 0.009 0.000 0.279 313 S C 1.786 176.382 174.600 -0.006 0.000 1.341 313 S CA 0.331 58.573 58.200 0.070 0.000 1.043 313 S CB 0.818 64.081 63.200 0.105 0.000 0.887 313 S HN 0.983 nan 8.310 nan 0.000 0.516 314 G N 3.105 111.834 108.800 -0.119 0.000 2.471 314 G HA2 -0.069 3.896 3.960 0.009 0.000 0.219 314 G HA3 -0.069 3.896 3.960 0.009 0.000 0.219 314 G C 0.839 175.581 174.900 -0.263 0.000 1.125 314 G CA 0.410 45.162 45.100 -0.580 0.000 0.775 314 G HN 0.694 nan 8.290 nan 0.000 0.548 315 M N 0.341 119.970 119.600 0.048 0.000 2.771 315 M HA 0.400 4.885 4.480 0.009 0.000 0.341 315 M C 0.393 176.754 176.300 0.103 0.000 1.226 315 M CA -0.217 55.163 55.300 0.133 0.000 0.955 315 M CB 0.383 33.135 32.600 0.253 0.000 1.318 315 M HN 0.027 nan 8.290 nan 0.000 0.514 316 L N -0.173 121.103 121.223 0.088 0.000 4.111 316 L HA -0.282 4.064 4.340 0.009 0.000 0.428 316 L C 0.611 177.518 176.870 0.062 0.000 1.149 316 L CA 0.397 55.284 54.840 0.078 0.000 0.981 316 L CB -1.832 40.288 42.059 0.101 0.000 1.914 316 L HN 0.511 nan 8.230 nan 0.000 1.016 317 A N 0.827 123.693 122.820 0.076 0.000 3.126 317 A HA 0.592 4.918 4.320 0.009 0.000 0.268 317 A C 1.137 178.758 177.584 0.061 0.000 1.605 317 A CA 0.697 52.775 52.037 0.068 0.000 1.305 317 A CB -0.341 18.712 19.000 0.089 0.000 1.160 317 A HN 1.097 nan 8.150 nan 0.000 0.609 318 G N -0.528 108.296 108.800 0.039 0.000 2.549 318 G HA2 0.536 4.501 3.960 0.009 0.000 0.404 318 G HA3 0.536 4.501 3.960 0.009 0.000 0.404 318 G C 0.667 175.594 174.900 0.046 0.000 1.292 318 G CA -0.009 45.113 45.100 0.036 0.000 0.935 318 G HN 2.696 nan 8.290 nan 0.000 0.512 319 G N -1.586 107.251 108.800 0.062 0.000 2.746 319 G HA2 0.174 4.140 3.960 0.009 0.000 0.685 319 G HA3 0.174 4.140 3.960 0.009 0.000 0.685 319 G C 0.550 175.503 174.900 0.089 0.000 1.350 319 G CA 0.599 45.742 45.100 0.071 0.000 0.837 319 G HN 1.506 nan 8.290 nan 0.000 0.564 320 R N -0.403 120.133 120.500 0.060 0.000 2.127 320 R HA -0.047 4.298 4.340 0.009 0.000 0.238 320 R C 2.718 178.942 176.300 -0.126 0.000 1.134 320 R CA 1.713 57.805 56.100 -0.013 0.000 0.975 320 R CB -0.320 29.938 30.300 -0.070 0.000 0.865 320 R HN 0.620 nan 8.270 nan 0.000 0.447 321 I N 0.858 121.426 120.570 -0.003 0.000 2.194 321 I HA -0.293 3.883 4.170 0.009 0.000 0.246 321 I C 1.565 177.686 176.117 0.006 0.000 1.093 321 I CA 1.600 62.934 61.300 0.057 0.000 1.355 321 I CB -0.116 37.925 38.000 0.067 0.000 1.046 321 I HN 0.159 nan 8.210 nan 0.000 0.413 322 L N -0.535 120.660 121.223 -0.047 0.000 2.042 322 L HA -0.264 4.081 4.340 0.009 0.000 0.210 322 L C 2.589 179.350 176.870 -0.183 0.000 1.076 322 L CA 1.423 56.187 54.840 -0.126 0.000 0.749 322 L CB -1.150 40.785 42.059 -0.208 0.000 0.893 322 L HN 0.380 nan 8.230 nan 0.000 0.432 323 H N -1.205 117.804 119.070 -0.102 0.000 2.457 323 H HA -0.108 4.453 4.556 0.009 0.000 0.294 323 H C 2.221 177.575 175.328 0.044 0.000 1.064 323 H CA 1.232 57.246 56.048 -0.056 0.000 1.330 323 H CB 0.000 29.696 29.762 -0.110 0.000 1.395 323 H HN 0.465 nan 8.280 nan 0.000 0.541 324 H N -0.136 119.032 119.070 0.164 0.000 2.436 324 H HA -0.038 4.524 4.556 0.009 0.000 0.294 324 H C 2.283 177.648 175.328 0.061 0.000 1.048 324 H CA 0.320 56.434 56.048 0.110 0.000 1.353 324 H CB -0.023 29.771 29.762 0.054 0.000 1.414 324 H HN 0.171 nan 8.280 nan 0.000 0.536 325 L N 1.161 122.458 121.223 0.123 0.000 2.109 325 L HA -0.077 4.269 4.340 0.009 0.000 0.207 325 L C 2.534 179.396 176.870 -0.015 0.000 1.086 325 L CA 1.337 56.200 54.840 0.039 0.000 0.760 325 L CB -0.578 41.486 42.059 0.008 0.000 0.910 325 L HN 0.122 nan 8.230 nan 0.000 0.437 326 K N -1.081 119.268 120.400 -0.086 0.000 2.063 326 K HA -0.189 4.136 4.320 0.009 0.000 0.208 326 K C 1.669 178.100 176.600 -0.282 0.000 1.048 326 K CA 1.445 57.589 56.287 -0.240 0.000 0.928 326 K CB -0.042 32.212 32.500 -0.411 0.000 0.713 326 K HN 0.459 nan 8.250 nan 0.000 0.442 327 H N -2.315 116.781 119.070 0.042 0.000 2.551 327 H HA 0.139 4.701 4.556 0.009 0.000 0.271 327 H C 1.404 176.753 175.328 0.036 0.000 0.984 327 H CA 0.823 56.896 56.048 0.042 0.000 1.164 327 H CB 1.150 30.946 29.762 0.057 0.000 1.437 327 H HN 0.407 nan 8.280 nan 0.000 0.550 328 G N -0.025 108.846 108.800 0.120 0.000 2.833 328 G HA2 -0.000 3.965 3.960 0.009 0.000 0.214 328 G HA3 -0.000 3.965 3.960 0.009 0.000 0.214 328 G C 1.376 176.297 174.900 0.036 0.000 1.075 328 G CA -0.134 45.011 45.100 0.074 0.000 0.799 328 G HN 0.068 nan 8.290 nan 0.000 0.541 329 L N 1.633 122.869 121.223 0.023 0.000 2.141 329 L HA 0.087 4.432 4.340 0.009 0.000 0.209 329 L C 2.666 179.541 176.870 0.009 0.000 1.094 329 L CA 1.390 56.235 54.840 0.009 0.000 0.763 329 L CB -0.425 41.635 42.059 0.000 0.000 0.908 329 L HN 0.125 nan 8.230 nan 0.000 0.437 330 S N -1.308 114.399 115.700 0.012 0.000 2.515 330 S HA -0.070 4.406 4.470 0.009 0.000 0.231 330 S C 0.692 175.301 174.600 0.015 0.000 0.987 330 S CA 0.219 58.426 58.200 0.012 0.000 0.936 330 S CB -0.316 62.893 63.200 0.014 0.000 0.766 330 S HN 0.395 nan 8.310 nan 0.000 0.528 331 D N 1.431 121.841 120.400 0.018 0.000 2.274 331 D HA 0.190 4.835 4.640 0.009 0.000 0.239 331 D C -1.697 174.610 176.300 0.012 0.000 1.104 331 D CA -2.335 51.675 54.000 0.015 0.000 0.840 331 D CB 1.711 42.522 40.800 0.018 0.000 1.100 331 D HN -0.002 nan 8.370 nan 0.000 0.477 332 P HA -0.058 nan 4.420 nan 0.000 0.223 332 P C 1.006 178.312 177.300 0.010 0.000 1.151 332 P CA 0.527 63.633 63.100 0.009 0.000 0.787 332 P CB 0.534 32.239 31.700 0.008 0.000 0.788 333 R N -1.001 119.504 120.500 0.007 0.000 2.235 333 R HA 0.052 4.398 4.340 0.009 0.000 0.213 333 R C 0.804 177.104 176.300 0.001 0.000 1.059 333 R CA 0.234 56.336 56.100 0.004 0.000 0.997 333 R CB -0.257 30.043 30.300 -0.000 0.000 0.884 333 R HN 0.284 nan 8.270 nan 0.000 0.462 334 N N 0.414 119.117 118.700 0.004 0.000 2.379 334 N HA 0.323 5.068 4.740 0.009 0.000 0.260 334 N C -0.715 174.800 175.510 0.009 0.000 1.254 334 N CA 0.062 53.112 53.050 -0.000 0.000 0.958 334 N CB 1.061 39.548 38.487 0.000 0.000 1.208 334 N HN 0.041 nan 8.380 nan 0.000 0.532 335 A N 0.295 123.116 122.820 0.002 0.000 2.455 335 A HA 0.500 4.826 4.320 0.009 0.000 0.300 335 A C -1.226 176.356 177.584 -0.004 0.000 1.040 335 A CA -0.631 51.425 52.037 0.031 0.000 0.697 335 A CB 0.994 20.012 19.000 0.030 0.000 1.265 335 A HN 0.569 nan 8.150 nan 0.000 0.407 336 L N 3.358 124.578 121.223 -0.006 0.000 2.280 336 L HA 0.662 5.008 4.340 0.009 0.000 0.287 336 L C -1.355 175.438 176.870 -0.129 0.000 1.023 336 L CA -0.680 54.077 54.840 -0.139 0.000 0.819 336 L CB 1.322 43.257 42.059 -0.207 0.000 1.212 336 L HN 0.482 nan 8.230 nan 0.000 0.420 337 V N 5.460 125.280 119.914 -0.157 0.000 2.350 337 V HA 0.339 4.464 4.120 0.009 0.000 0.285 337 V C -0.388 175.647 176.094 -0.099 0.000 1.014 337 V CA -0.461 61.835 62.300 -0.006 0.000 0.831 337 V CB 1.325 33.243 31.823 0.157 0.000 1.000 337 V HN 0.444 nan 8.190 nan 0.000 0.433 338 F N 4.160 124.197 119.950 0.145 0.000 2.410 338 F HA 0.413 4.945 4.527 0.009 0.000 0.348 338 F C 0.919 176.793 175.800 0.124 0.000 1.106 338 F CA -0.406 57.649 58.000 0.092 0.000 1.163 338 F CB 1.753 40.801 39.000 0.080 0.000 1.129 338 F HN 0.387 nan 8.300 nan 0.000 0.516 339 V N 0.328 120.380 119.914 0.230 0.000 3.159 339 V HA 0.708 4.833 4.120 0.009 0.000 0.333 339 V C 0.280 176.504 176.094 0.216 0.000 1.424 339 V CA 0.128 62.523 62.300 0.158 0.000 1.125 339 V CB 0.013 31.680 31.823 -0.261 0.000 1.075 339 V HN 0.773 nan 8.190 nan 0.000 0.482 340 G N -0.989 107.963 108.800 0.253 0.000 2.704 340 G HA2 0.465 4.430 3.960 0.009 0.000 0.293 340 G HA3 0.465 4.430 3.960 0.009 0.000 0.293 340 G C -1.650 173.450 174.900 0.334 0.000 1.421 340 G CA -0.982 44.314 45.100 0.327 0.000 0.870 340 G HN 0.220 nan 8.290 nan 0.000 0.492 341 Y N 1.142 121.638 120.300 0.327 0.000 2.712 341 Y HA 0.277 4.833 4.550 0.009 0.000 0.333 341 Y C 0.093 176.090 175.900 0.162 0.000 1.225 341 Y CA 0.510 58.768 58.100 0.263 0.000 1.499 341 Y CB 0.766 39.434 38.460 0.345 0.000 1.288 341 Y HN 0.279 nan 8.280 nan 0.000 0.575 342 Q N 8.332 127.686 119.800 -0.742 0.000 2.341 342 Q HA 0.300 4.645 4.340 0.009 0.000 0.268 342 Q C -2.569 172.927 176.000 -0.840 0.000 1.013 342 Q CA -2.322 53.133 55.803 -0.581 0.000 0.798 342 Q CB 1.427 29.811 28.738 -0.589 0.000 1.253 342 Q HN 0.538 nan 8.270 nan 0.000 0.457 343 P HA -0.057 nan 4.420 nan 0.000 0.266 343 P C -0.315 176.939 177.300 -0.078 0.000 1.215 343 P CA -0.061 63.043 63.100 0.006 0.000 0.763 343 P CB 0.475 32.287 31.700 0.186 0.000 0.806 344 Q N 2.339 122.113 119.800 -0.044 0.000 2.304 344 Q HA 0.244 4.589 4.340 0.009 0.000 0.301 344 Q C 0.933 176.925 176.000 -0.013 0.000 1.063 344 Q CA 0.385 56.164 55.803 -0.041 0.000 0.947 344 Q CB -0.326 28.415 28.738 0.005 0.000 1.201 344 Q HN 0.797 nan 8.270 nan 0.000 0.389 345 G N 1.416 110.200 108.800 -0.025 0.000 2.254 345 G HA2 -0.206 3.759 3.960 0.009 0.000 0.225 345 G HA3 -0.206 3.759 3.960 0.009 0.000 0.225 345 G C 0.370 175.262 174.900 -0.012 0.000 1.003 345 G CA -0.327 44.767 45.100 -0.010 0.000 0.622 345 G HN 1.102 nan 8.290 nan 0.000 0.507 346 G N -0.609 108.177 108.800 -0.023 0.000 2.543 346 G HA2 0.596 4.561 3.960 0.009 0.000 0.290 346 G HA3 0.596 4.561 3.960 0.009 0.000 0.290 346 G C 1.130 176.017 174.900 -0.023 0.000 1.310 346 G CA 0.154 45.245 45.100 -0.015 0.000 1.025 346 G HN 0.879 nan 8.290 nan 0.000 0.502 347 L N 0.546 121.767 121.223 -0.004 0.000 2.083 347 L HA 0.067 4.413 4.340 0.009 0.000 0.209 347 L C 2.687 179.562 176.870 0.010 0.000 1.083 347 L CA 2.829 57.675 54.840 0.009 0.000 0.752 347 L CB -0.947 41.127 42.059 0.026 0.000 0.899 347 L HN 0.574 nan 8.230 nan 0.000 0.433 348 G N -0.969 107.816 108.800 -0.026 0.000 2.446 348 G HA2 -0.277 3.689 3.960 0.009 0.000 0.217 348 G HA3 -0.277 3.689 3.960 0.009 0.000 0.217 348 G C 1.620 176.395 174.900 -0.209 0.000 1.168 348 G CA 0.939 45.959 45.100 -0.133 0.000 0.771 348 G HN 0.651 nan 8.290 nan 0.000 0.551 349 A N 0.631 123.338 122.820 -0.189 0.000 1.908 349 A HA -0.084 4.241 4.320 0.009 0.000 0.218 349 A C 2.166 179.704 177.584 -0.077 0.000 1.181 349 A CA 2.135 54.080 52.037 -0.153 0.000 0.627 349 A CB -0.532 18.395 19.000 -0.122 0.000 0.818 349 A HN 0.504 nan 8.150 nan 0.000 0.445 350 E N -0.209 119.965 120.200 -0.043 0.000 2.031 350 E HA -0.187 4.168 4.350 0.009 0.000 0.193 350 E C 1.928 178.530 176.600 0.004 0.000 0.994 350 E CA 1.376 57.767 56.400 -0.015 0.000 0.800 350 E CB -0.248 29.448 29.700 -0.006 0.000 0.752 350 E HN 0.657 nan 8.360 nan 0.000 0.447 351 I N 1.058 121.646 120.570 0.030 0.000 2.151 351 I HA -0.326 3.850 4.170 0.009 0.000 0.243 351 I C 2.440 178.600 176.117 0.072 0.000 1.080 351 I CA 1.210 62.556 61.300 0.076 0.000 1.339 351 I CB -0.294 37.812 38.000 0.177 0.000 1.039 351 I HN 0.249 nan 8.210 nan 0.000 0.409 352 I N 0.828 121.427 120.570 0.048 0.000 2.423 352 I HA -0.256 3.920 4.170 0.009 0.000 0.254 352 I C 2.530 178.652 176.117 0.008 0.000 1.151 352 I CA 1.034 62.352 61.300 0.030 0.000 1.421 352 I CB -0.471 37.495 38.000 -0.056 0.000 1.079 352 I HN 0.201 nan 8.210 nan 0.000 0.431 353 A N 0.476 123.295 122.820 -0.002 0.000 2.209 353 A HA -0.114 4.211 4.320 0.009 0.000 0.212 353 A C 1.459 179.045 177.584 0.004 0.000 1.158 353 A CA 0.307 52.343 52.037 -0.003 0.000 0.742 353 A CB -0.362 18.634 19.000 -0.007 0.000 0.790 353 A HN 0.454 nan 8.150 nan 0.000 0.472 354 R N -1.312 119.195 120.500 0.011 0.000 3.333 354 R HA -0.117 4.228 4.340 0.009 0.000 0.256 354 R C -2.297 174.007 176.300 0.006 0.000 1.010 354 R CA 0.740 56.846 56.100 0.010 0.000 0.680 354 R CB -2.202 28.100 30.300 0.002 0.000 1.102 354 R HN 0.490 nan 8.270 nan 0.000 0.440 355 P HA 0.117 nan 4.420 nan 0.000 0.273 355 P C -1.753 175.548 177.300 0.003 0.000 1.250 355 P CA -0.997 62.105 63.100 0.003 0.000 0.793 355 P CB 0.526 32.228 31.700 0.002 0.000 1.011 356 P HA -0.082 nan 4.420 nan 0.000 0.216 356 P C 0.178 177.478 177.300 0.000 0.000 1.150 356 P CA 1.577 64.677 63.100 0.001 0.000 0.837 356 P CB 0.132 31.831 31.700 0.000 0.000 0.786 357 A N -1.060 121.760 122.820 -0.000 0.000 2.512 357 A HA 0.504 4.829 4.320 0.009 0.000 0.294 357 A C -0.839 176.743 177.584 -0.003 0.000 1.054 357 A CA -0.554 51.482 52.037 -0.002 0.000 0.756 357 A CB 1.248 20.245 19.000 -0.005 0.000 1.293 357 A HN -0.133 nan 8.150 nan 0.000 0.395 358 V N 1.818 121.730 119.914 -0.003 0.000 2.973 358 V HA 0.583 4.709 4.120 0.009 0.000 0.314 358 V C 0.696 176.781 176.094 -0.015 0.000 1.066 358 V CA -0.728 61.570 62.300 -0.004 0.000 1.021 358 V CB 1.738 33.565 31.823 0.005 0.000 1.076 358 V HN 0.905 nan 8.190 nan 0.000 0.462 359 R N 2.210 122.700 120.500 -0.017 0.000 2.294 359 R HA 0.696 5.041 4.340 0.009 0.000 0.319 359 R C -1.408 174.871 176.300 -0.036 0.000 0.984 359 R CA -0.377 55.707 56.100 -0.026 0.000 0.861 359 R CB 0.769 31.056 30.300 -0.021 0.000 1.104 359 R HN 0.694 nan 8.270 nan 0.000 0.451 360 I N 5.465 126.001 120.570 -0.056 0.000 2.582 360 I HA 0.193 4.368 4.170 0.009 0.000 0.292 360 I C 0.221 176.278 176.117 -0.101 0.000 1.066 360 I CA -0.943 60.310 61.300 -0.079 0.000 1.053 360 I CB 2.071 40.012 38.000 -0.099 0.000 1.241 360 I HN 0.717 nan 8.210 nan 0.000 0.421 361 L N 6.104 127.263 121.223 -0.107 0.000 3.739 361 L HA -0.249 4.096 4.340 0.009 0.000 0.442 361 L C 0.932 177.764 176.870 -0.064 0.000 1.241 361 L CA 0.823 55.599 54.840 -0.106 0.000 0.819 361 L CB -1.751 40.203 42.059 -0.175 0.000 1.679 361 L HN 1.179 nan 8.230 nan 0.000 0.889 362 G N 0.270 109.042 108.800 -0.046 0.000 2.298 362 G HA2 -0.231 3.734 3.960 0.009 0.000 0.287 362 G HA3 -0.231 3.734 3.960 0.009 0.000 0.287 362 G C -0.088 174.793 174.900 -0.031 0.000 1.075 362 G CA 0.747 45.829 45.100 -0.030 0.000 0.960 362 G HN 0.752 nan 8.290 nan 0.000 0.502 363 E N -1.038 119.138 120.200 -0.039 0.000 2.478 363 E HA 0.375 4.730 4.350 0.009 0.000 0.293 363 E C -0.938 175.638 176.600 -0.040 0.000 1.011 363 E CA -0.802 55.575 56.400 -0.038 0.000 0.834 363 E CB 0.951 30.623 29.700 -0.047 0.000 1.226 363 E HN 0.102 nan 8.360 nan 0.000 0.419 364 E N 1.679 121.862 120.200 -0.029 0.000 2.316 364 E HA 0.371 4.726 4.350 0.009 0.000 0.275 364 E C -1.361 175.222 176.600 -0.029 0.000 1.029 364 E CA -0.194 56.191 56.400 -0.025 0.000 0.871 364 E CB 1.666 31.357 29.700 -0.016 0.000 1.022 364 E HN 0.266 nan 8.360 nan 0.000 0.418 365 V N 5.634 125.530 119.914 -0.030 0.000 2.525 365 V HA 0.553 4.679 4.120 0.009 0.000 0.299 365 V C -2.669 173.414 176.094 -0.018 0.000 1.034 365 V CA -2.614 59.667 62.300 -0.031 0.000 0.863 365 V CB 1.953 33.744 31.823 -0.054 0.000 0.999 365 V HN 0.612 nan 8.190 nan 0.000 0.423 366 P HA 0.090 nan 4.420 nan 0.000 0.265 366 P C -0.830 176.469 177.300 -0.002 0.000 1.187 366 P CA 0.104 63.202 63.100 -0.004 0.000 0.766 366 P CB 0.354 32.053 31.700 -0.001 0.000 0.820 367 L N 4.449 125.673 121.223 0.001 0.000 2.360 367 L HA 0.253 4.598 4.340 0.009 0.000 0.265 367 L C 0.975 177.847 176.870 0.003 0.000 1.066 367 L CA 0.361 55.204 54.840 0.004 0.000 0.929 367 L CB -0.173 41.890 42.059 0.007 0.000 1.306 367 L HN 0.214 nan 8.230 nan 0.000 0.434 368 R N 2.538 123.041 120.500 0.004 0.000 2.195 368 R HA 0.396 4.742 4.340 0.009 0.000 0.197 368 R C 0.760 177.063 176.300 0.005 0.000 0.990 368 R CA 0.496 56.599 56.100 0.004 0.000 1.048 368 R CB -0.226 30.077 30.300 0.006 0.000 0.997 368 R HN 0.590 nan 8.270 nan 0.000 0.502 369 A N 2.269 125.093 122.820 0.006 0.000 2.507 369 A HA 0.137 4.462 4.320 0.009 0.000 0.235 369 A C 0.639 178.227 177.584 0.006 0.000 1.070 369 A CA 0.081 52.123 52.037 0.009 0.000 0.768 369 A CB 0.152 19.155 19.000 0.006 0.000 1.011 369 A HN 0.394 nan 8.150 nan 0.000 0.502 370 S N 0.388 116.101 115.700 0.021 0.000 2.592 370 S HA 0.538 5.013 4.470 0.009 0.000 0.271 370 S C -0.238 174.347 174.600 -0.025 0.000 1.326 370 S CA -0.502 57.699 58.200 0.002 0.000 1.024 370 S CB 0.957 64.217 63.200 0.100 0.000 0.921 370 S HN 0.971 nan 8.310 nan 0.000 0.527 371 V N 3.355 123.155 119.914 -0.190 0.000 2.709 371 V HA 0.540 4.665 4.120 0.009 0.000 0.308 371 V C -0.608 175.266 176.094 -0.366 0.000 1.062 371 V CA -0.658 61.566 62.300 -0.127 0.000 0.901 371 V CB 1.615 33.440 31.823 0.004 0.000 1.003 371 V HN 0.997 nan 8.190 nan 0.000 0.425 372 H N 1.601 120.746 119.070 0.124 0.000 2.851 372 H HA 0.575 5.136 4.556 0.009 0.000 0.372 372 H C -1.128 174.371 175.328 0.284 0.000 1.158 372 H CA -0.581 55.567 56.048 0.167 0.000 1.159 372 H CB 2.689 32.530 29.762 0.131 0.000 1.757 372 H HN 0.550 nan 8.280 nan 0.000 0.546 373 T N 3.471 118.250 114.554 0.374 0.000 2.963 373 T HA 0.272 4.628 4.350 0.009 0.000 0.328 373 T C 0.361 175.237 174.700 0.294 0.000 1.048 373 T CA -0.651 61.664 62.100 0.359 0.000 1.033 373 T CB 0.230 69.234 68.868 0.226 0.000 1.010 373 T HN 0.282 nan 8.240 nan 0.000 0.469 374 L N 2.788 124.212 121.223 0.335 0.000 2.475 374 L HA 0.381 4.726 4.340 0.009 0.000 0.253 374 L C 1.775 178.801 176.870 0.260 0.000 1.137 374 L CA -0.682 54.330 54.840 0.286 0.000 1.058 374 L CB 0.202 42.494 42.059 0.388 0.000 1.382 374 L HN 0.827 nan 8.230 nan 0.000 0.416 375 G N 1.038 109.959 108.800 0.201 0.000 2.535 375 G HA2 -0.181 3.784 3.960 0.009 0.000 0.218 375 G HA3 -0.181 3.784 3.960 0.009 0.000 0.218 375 G C 1.412 176.335 174.900 0.038 0.000 1.122 375 G CA 0.701 45.908 45.100 0.179 0.000 0.769 375 G HN 0.706 nan 8.290 nan 0.000 0.549 376 G N 0.117 108.918 108.800 0.002 0.000 2.498 376 G HA2 -0.102 3.863 3.960 0.009 0.000 0.219 376 G HA3 -0.102 3.863 3.960 0.009 0.000 0.219 376 G C 1.258 176.072 174.900 -0.143 0.000 1.119 376 G CA 0.076 45.118 45.100 -0.098 0.000 0.766 376 G HN 0.449 nan 8.290 nan 0.000 0.552 377 F N 1.085 121.053 119.950 0.030 0.000 2.811 377 F HA 0.239 4.771 4.527 0.009 0.000 0.301 377 F C 1.914 177.682 175.800 -0.054 0.000 1.151 377 F CA -0.110 57.915 58.000 0.042 0.000 1.412 377 F CB 0.275 39.291 39.000 0.026 0.000 1.113 377 F HN 0.036 nan 8.300 nan 0.000 0.579 378 S N 0.378 116.046 115.700 -0.053 0.000 2.554 378 S HA 0.032 4.507 4.470 0.009 0.000 0.290 378 S C 1.373 175.887 174.600 -0.143 0.000 1.309 378 S CA 0.320 58.418 58.200 -0.169 0.000 1.047 378 S CB 0.925 63.667 63.200 -0.763 0.000 0.828 378 S HN 0.397 nan 8.310 nan 0.000 0.509 379 G N 3.220 112.007 108.800 -0.021 0.000 3.189 379 G HA2 0.184 4.149 3.960 0.009 0.000 0.225 379 G HA3 0.184 4.149 3.960 0.009 0.000 0.225 379 G C 0.297 175.169 174.900 -0.046 0.000 1.159 379 G CA -0.188 44.867 45.100 -0.075 0.000 0.763 379 G HN 0.787 nan 8.290 nan 0.000 0.549 380 H N 0.119 119.256 119.070 0.111 0.000 2.499 380 H HA 0.551 5.112 4.556 0.008 0.000 0.340 380 H C 0.069 175.499 175.328 0.170 0.000 1.148 380 H CA -0.562 55.575 56.048 0.149 0.000 1.215 380 H CB 1.965 31.907 29.762 0.299 0.000 1.529 380 H HN 0.128 nan 8.280 nan 0.000 0.510 381 A N 2.103 125.044 122.820 0.202 0.000 2.520 381 A HA 0.360 4.685 4.320 0.009 0.000 0.245 381 A C 1.008 178.638 177.584 0.078 0.000 1.072 381 A CA 0.401 52.501 52.037 0.105 0.000 0.761 381 A CB -0.146 18.845 19.000 -0.015 0.000 1.004 381 A HN 0.764 nan 8.150 nan 0.000 0.499 382 G N 0.091 108.836 108.800 -0.092 0.000 2.616 382 G HA2 0.329 4.294 3.960 0.009 0.000 0.268 382 G HA3 0.329 4.294 3.960 0.009 0.000 0.268 382 G C 0.742 175.574 174.900 -0.114 0.000 1.213 382 G CA 0.305 45.157 45.100 -0.413 0.000 0.926 382 G HN 0.962 nan 8.290 nan 0.000 0.523 383 Q N -0.334 119.421 119.800 -0.074 0.000 2.118 383 Q HA -0.267 4.078 4.340 0.009 0.000 0.211 383 Q C 1.969 177.970 176.000 0.001 0.000 0.998 383 Q CA 2.604 58.402 55.803 -0.008 0.000 0.872 383 Q CB -0.240 28.500 28.738 0.003 0.000 0.925 383 Q HN 0.745 nan 8.270 nan 0.000 0.414 384 D N -0.299 120.095 120.400 -0.011 0.000 2.117 384 D HA -0.217 4.428 4.640 0.009 0.000 0.197 384 D C 1.402 177.720 176.300 0.031 0.000 0.987 384 D CA 1.657 55.664 54.000 0.012 0.000 0.829 384 D CB -0.514 40.291 40.800 0.009 0.000 0.961 384 D HN 0.519 nan 8.370 nan 0.000 0.460 385 E N 0.173 120.389 120.200 0.026 0.000 2.107 385 E HA -0.005 4.350 4.350 0.009 0.000 0.191 385 E C 2.467 179.117 176.600 0.084 0.000 0.982 385 E CA 0.273 56.706 56.400 0.054 0.000 0.809 385 E CB -0.057 29.668 29.700 0.042 0.000 0.756 385 E HN 0.274 nan 8.360 nan 0.000 0.459 386 L N 0.570 121.827 121.223 0.058 0.000 2.046 386 L HA -0.220 4.126 4.340 0.009 0.000 0.208 386 L C 2.378 179.325 176.870 0.128 0.000 1.077 386 L CA 0.977 55.867 54.840 0.084 0.000 0.747 386 L CB -0.332 41.755 42.059 0.046 0.000 0.896 386 L HN 0.194 nan 8.230 nan 0.000 0.432 387 L N -0.657 120.616 121.223 0.083 0.000 2.083 387 L HA -0.221 4.124 4.340 0.009 0.000 0.209 387 L C 2.224 179.139 176.870 0.076 0.000 1.083 387 L CA 1.008 55.890 54.840 0.070 0.000 0.752 387 L CB -0.562 41.523 42.059 0.043 0.000 0.899 387 L HN 0.283 nan 8.230 nan 0.000 0.433 388 D N -0.984 119.469 120.400 0.088 0.000 2.117 388 D HA -0.223 4.422 4.640 0.009 0.000 0.198 388 D C 1.771 178.130 176.300 0.098 0.000 0.982 388 D CA 1.050 55.096 54.000 0.078 0.000 0.828 388 D CB -0.216 40.633 40.800 0.082 0.000 0.967 388 D HN 0.370 nan 8.370 nan 0.000 0.464 389 W N 0.815 122.091 121.300 -0.040 0.000 2.363 389 W HA -0.109 4.556 4.660 0.008 0.000 0.296 389 W C 1.618 178.089 176.519 -0.080 0.000 1.212 389 W CA 0.629 57.933 57.345 -0.069 0.000 1.260 389 W CB -0.069 29.340 29.460 -0.084 0.000 1.131 389 W HN -0.104 nan 8.180 nan 0.000 0.530 390 L N 0.781 122.072 121.223 0.114 0.000 2.492 390 L HA 0.018 4.363 4.340 0.009 0.000 0.223 390 L C 1.321 178.147 176.870 -0.074 0.000 1.132 390 L CA 1.009 55.849 54.840 -0.001 0.000 0.850 390 L CB -1.889 40.228 42.059 0.097 0.000 0.966 390 L HN -0.057 nan 8.230 nan 0.000 0.454 391 Q N 0.730 120.493 119.800 -0.062 0.000 2.398 391 Q HA 0.022 4.367 4.340 0.009 0.000 0.329 391 Q C 1.257 177.205 176.000 -0.086 0.000 1.079 391 Q CA 1.275 57.043 55.803 -0.059 0.000 1.041 391 Q CB 0.131 28.841 28.738 -0.047 0.000 1.084 391 Q HN 0.574 nan 8.270 nan 0.000 0.386 392 G N 3.944 112.708 108.800 -0.060 0.000 2.184 392 G HA2 -0.222 3.743 3.960 0.009 0.000 0.264 392 G HA3 -0.222 3.743 3.960 0.009 0.000 0.264 392 G C -0.207 174.652 174.900 -0.069 0.000 0.975 392 G CA 0.320 45.383 45.100 -0.061 0.000 0.642 392 G HN 0.596 nan 8.290 nan 0.000 0.536 393 E N 0.996 121.149 120.200 -0.078 0.000 2.152 393 E HA 0.225 4.580 4.350 0.009 0.000 0.285 393 E C -0.920 175.655 176.600 -0.042 0.000 1.043 393 E CA -1.393 54.962 56.400 -0.075 0.000 0.839 393 E CB 1.722 31.364 29.700 -0.097 0.000 1.069 393 E HN 0.272 nan 8.360 nan 0.000 0.399 394 P HA -0.171 nan 4.420 nan 0.000 0.215 394 P C -0.080 177.210 177.300 -0.015 0.000 1.157 394 P CA 1.364 64.451 63.100 -0.022 0.000 0.874 394 P CB 0.513 32.201 31.700 -0.021 0.000 0.790 395 R N -0.759 119.732 120.500 -0.015 0.000 2.621 395 R HA 0.639 4.985 4.340 0.009 0.000 0.292 395 R C -1.201 175.100 176.300 0.000 0.000 0.969 395 R CA -0.828 55.268 56.100 -0.007 0.000 0.887 395 R CB 2.819 33.115 30.300 -0.007 0.000 1.180 395 R HN -0.200 nan 8.270 nan 0.000 0.450 396 V N 2.930 122.849 119.914 0.008 0.000 2.686 396 V HA 0.390 4.515 4.120 0.009 0.000 0.306 396 V C -0.703 175.403 176.094 0.020 0.000 1.065 396 V CA -0.864 61.450 62.300 0.023 0.000 0.894 396 V CB 2.292 34.135 31.823 0.034 0.000 1.004 396 V HN 0.468 nan 8.190 nan 0.000 0.424 397 V N 5.936 125.863 119.914 0.021 0.000 2.384 397 V HA 0.491 4.616 4.120 0.009 0.000 0.287 397 V C -0.209 175.897 176.094 0.019 0.000 1.020 397 V CA -0.514 61.790 62.300 0.007 0.000 0.850 397 V CB 1.675 33.486 31.823 -0.020 0.000 0.987 397 V HN 0.646 nan 8.190 nan 0.000 0.436 398 L N 6.297 127.534 121.223 0.024 0.000 2.292 398 L HA 0.751 5.096 4.340 0.009 0.000 0.284 398 L C 0.044 176.942 176.870 0.047 0.000 1.065 398 L CA -0.391 54.472 54.840 0.039 0.000 0.806 398 L CB 1.489 43.569 42.059 0.035 0.000 1.175 398 L HN 0.642 nan 8.230 nan 0.000 0.431 399 V N -0.844 119.117 119.914 0.079 0.000 3.119 399 V HA 0.499 4.624 4.120 0.009 0.000 0.311 399 V C 0.071 176.283 176.094 0.197 0.000 1.259 399 V CA -0.875 61.503 62.300 0.130 0.000 1.067 399 V CB 1.443 33.358 31.823 0.153 0.000 1.123 399 V HN 0.857 nan 8.190 nan 0.000 0.463 400 H N 0.216 119.344 119.070 0.096 0.000 2.604 400 H HA -0.048 4.513 4.556 0.008 0.000 0.324 400 H C -0.168 175.141 175.328 -0.032 0.000 1.068 400 H CA 1.398 57.482 56.048 0.061 0.000 1.091 400 H CB -1.024 28.805 29.762 0.111 0.000 1.611 400 H HN 1.911 nan 8.280 nan 0.000 0.387 401 G N 2.038 110.833 108.800 -0.009 0.000 2.387 401 G HA2 0.313 4.278 3.960 0.009 0.000 0.294 401 G HA3 0.313 4.278 3.960 0.009 0.000 0.294 401 G C -1.173 173.685 174.900 -0.071 0.000 1.509 401 G CA -0.713 44.352 45.100 -0.059 0.000 0.806 401 G HN 0.255 nan 8.290 nan 0.000 0.546 402 E N 0.151 120.293 120.200 -0.098 0.000 2.354 402 E HA 0.125 4.480 4.350 0.009 0.000 0.269 402 E C 0.934 177.511 176.600 -0.037 0.000 1.036 402 E CA -0.217 56.144 56.400 -0.063 0.000 0.876 402 E CB 2.206 31.864 29.700 -0.070 0.000 1.009 402 E HN 0.678 nan 8.360 nan 0.000 0.416 403 E N 2.249 122.438 120.200 -0.018 0.000 2.086 403 E HA -0.331 4.024 4.350 0.009 0.000 0.205 403 E C 1.195 177.790 176.600 -0.010 0.000 1.027 403 E CA 1.934 58.330 56.400 -0.008 0.000 0.830 403 E CB 0.194 29.893 29.700 -0.003 0.000 0.751 403 E HN 0.433 nan 8.360 nan 0.000 0.456 404 E N 0.406 120.599 120.200 -0.012 0.000 2.058 404 E HA -0.197 4.159 4.350 0.009 0.000 0.194 404 E C 1.962 178.553 176.600 -0.014 0.000 0.997 404 E CA 1.385 57.779 56.400 -0.009 0.000 0.801 404 E CB -0.078 29.619 29.700 -0.005 0.000 0.746 404 E HN 0.081 nan 8.360 nan 0.000 0.450 405 K N 0.004 120.385 120.400 -0.032 0.000 2.032 405 K HA -0.106 4.219 4.320 0.009 0.000 0.209 405 K C 1.841 178.425 176.600 -0.027 0.000 1.048 405 K CA 0.755 57.016 56.287 -0.045 0.000 0.927 405 K CB -0.487 31.953 32.500 -0.100 0.000 0.712 405 K HN 0.017 nan 8.250 nan 0.000 0.441 406 L N 0.179 121.389 121.223 -0.021 0.000 2.046 406 L HA -0.141 4.204 4.340 0.009 0.000 0.208 406 L C 1.976 178.847 176.870 0.003 0.000 1.077 406 L CA 1.372 56.209 54.840 -0.003 0.000 0.747 406 L CB -0.810 41.252 42.059 0.005 0.000 0.896 406 L HN 0.123 nan 8.230 nan 0.000 0.432 407 L N -0.563 120.661 121.223 0.001 0.000 2.012 407 L HA -0.158 4.187 4.340 0.009 0.000 0.210 407 L C 2.651 179.524 176.870 0.006 0.000 1.073 407 L CA 2.048 56.891 54.840 0.004 0.000 0.748 407 L CB -1.574 40.487 42.059 0.003 0.000 0.891 407 L HN 0.271 nan 8.230 nan 0.000 0.431 408 A N -1.042 121.780 122.820 0.004 0.000 1.917 408 A HA -0.237 4.088 4.320 0.009 0.000 0.219 408 A C 2.403 179.993 177.584 0.010 0.000 1.182 408 A CA 2.013 54.054 52.037 0.007 0.000 0.633 408 A CB -0.815 18.190 19.000 0.007 0.000 0.819 408 A HN 0.426 nan 8.150 nan 0.000 0.448 409 L N -0.962 120.268 121.223 0.010 0.000 2.072 409 L HA -0.056 4.290 4.340 0.009 0.000 0.205 409 L C 2.597 179.478 176.870 0.017 0.000 1.079 409 L CA 1.326 56.176 54.840 0.016 0.000 0.752 409 L CB -0.715 41.355 42.059 0.019 0.000 0.906 409 L HN 0.466 nan 8.230 nan 0.000 0.436 410 G N -0.111 108.698 108.800 0.015 0.000 2.440 410 G HA2 -0.352 3.614 3.960 0.009 0.000 0.218 410 G HA3 -0.352 3.614 3.960 0.009 0.000 0.218 410 G C 1.612 176.519 174.900 0.012 0.000 1.154 410 G CA 1.030 46.138 45.100 0.014 0.000 0.767 410 G HN 0.351 nan 8.290 nan 0.000 0.552 411 K N 0.018 120.424 120.400 0.011 0.000 2.044 411 K HA -0.029 4.296 4.320 0.009 0.000 0.210 411 K C 2.492 179.098 176.600 0.010 0.000 1.049 411 K CA 1.186 57.479 56.287 0.009 0.000 0.927 411 K CB -0.305 32.201 32.500 0.009 0.000 0.713 411 K HN 0.355 nan 8.250 nan 0.000 0.443 412 L N 0.793 122.024 121.223 0.012 0.000 2.093 412 L HA -0.160 4.185 4.340 0.009 0.000 0.208 412 L C 2.399 179.277 176.870 0.013 0.000 1.085 412 L CA 0.852 55.700 54.840 0.013 0.000 0.755 412 L CB -0.312 41.756 42.059 0.016 0.000 0.904 412 L HN 0.229 nan 8.230 nan 0.000 0.435 413 L N -0.538 120.694 121.223 0.015 0.000 2.056 413 L HA -0.181 4.164 4.340 0.009 0.000 0.207 413 L C 2.906 179.781 176.870 0.009 0.000 1.078 413 L CA 1.133 55.981 54.840 0.014 0.000 0.749 413 L CB -0.761 41.309 42.059 0.018 0.000 0.901 413 L HN 0.240 nan 8.230 nan 0.000 0.433 414 A N 0.231 123.056 122.820 0.008 0.000 1.883 414 A HA -0.199 4.126 4.320 0.009 0.000 0.217 414 A C 2.242 179.829 177.584 0.004 0.000 1.186 414 A CA 1.504 53.544 52.037 0.005 0.000 0.624 414 A CB -0.836 18.167 19.000 0.005 0.000 0.822 414 A HN 0.357 nan 8.150 nan 0.000 0.444 415 L N -1.400 119.826 121.223 0.005 0.000 2.187 415 L HA -0.141 4.204 4.340 0.009 0.000 0.213 415 L C 2.643 179.516 176.870 0.004 0.000 1.100 415 L CA 1.216 56.059 54.840 0.005 0.000 0.765 415 L CB -0.268 41.795 42.059 0.006 0.000 0.904 415 L HN 0.357 nan 8.230 nan 0.000 0.437 416 R N -0.330 120.172 120.500 0.004 0.000 2.313 416 R HA 0.025 4.370 4.340 0.009 0.000 0.199 416 R C 1.107 177.407 176.300 -0.001 0.000 0.958 416 R CA 0.627 56.728 56.100 0.002 0.000 1.047 416 R CB 0.131 30.433 30.300 0.003 0.000 0.955 416 R HN 0.405 nan 8.270 nan 0.000 0.481 417 G N 0.436 109.236 108.800 -0.001 0.000 2.132 417 G HA2 -0.273 3.693 3.960 0.009 0.000 0.234 417 G HA3 -0.273 3.693 3.960 0.009 0.000 0.234 417 G C -0.321 174.577 174.900 -0.004 0.000 0.989 417 G CA -0.227 44.871 45.100 -0.003 0.000 0.676 417 G HN 0.372 nan 8.290 nan 0.000 0.522 418 Q N 0.149 119.947 119.800 -0.003 0.000 2.282 418 Q HA 0.483 4.829 4.340 0.009 0.000 0.260 418 Q C -0.158 175.841 176.000 -0.001 0.000 0.964 418 Q CA -0.588 55.213 55.803 -0.004 0.000 0.880 418 Q CB 1.517 30.253 28.738 -0.003 0.000 1.286 418 Q HN 0.546 nan 8.270 nan 0.000 0.445 419 E N 1.264 121.463 120.200 -0.003 0.000 2.316 419 E HA 0.337 4.692 4.350 0.009 0.000 0.275 419 E C -1.034 175.567 176.600 0.002 0.000 1.029 419 E CA -0.230 56.169 56.400 -0.001 0.000 0.871 419 E CB 1.551 31.248 29.700 -0.004 0.000 1.022 419 E HN 0.175 nan 8.360 nan 0.000 0.418 420 V N 2.003 121.919 119.914 0.004 0.000 3.087 420 V HA 0.625 4.750 4.120 0.009 0.000 0.306 420 V C -1.254 174.843 176.094 0.005 0.000 1.187 420 V CA -0.268 62.036 62.300 0.007 0.000 0.999 420 V CB 2.359 34.189 31.823 0.012 0.000 1.049 420 V HN 0.867 nan 8.190 nan 0.000 0.431 421 S N 5.088 120.792 115.700 0.006 0.000 2.671 421 S HA 0.812 5.287 4.470 0.009 0.000 0.277 421 S C -1.690 172.915 174.600 0.008 0.000 1.165 421 S CA -0.826 57.377 58.200 0.005 0.000 0.822 421 S CB 1.753 64.952 63.200 -0.001 0.000 1.150 421 S HN 0.792 nan 8.310 nan 0.000 0.479 422 L N 2.125 123.353 121.223 0.009 0.000 2.276 422 L HA 0.710 5.055 4.340 0.009 0.000 0.286 422 L C 0.757 177.635 176.870 0.015 0.000 1.024 422 L CA -0.132 54.717 54.840 0.016 0.000 0.826 422 L CB 0.781 42.851 42.059 0.018 0.000 1.211 422 L HN 1.042 nan 8.230 nan 0.000 0.422 423 A N 5.037 127.864 122.820 0.013 0.000 2.613 423 A HA 0.213 4.538 4.320 0.009 0.000 0.230 423 A C 0.321 177.920 177.584 0.024 0.000 1.051 423 A CA 0.412 52.450 52.037 0.003 0.000 0.754 423 A CB 0.016 19.014 19.000 -0.003 0.000 0.979 423 A HN 0.721 nan 8.150 nan 0.000 0.510 424 R N 0.449 120.954 120.500 0.007 0.000 2.562 424 R HA 0.372 4.717 4.340 0.009 0.000 0.298 424 R C -0.831 175.488 176.300 0.033 0.000 0.961 424 R CA -0.605 55.520 56.100 0.042 0.000 0.881 424 R CB 1.562 31.878 30.300 0.027 0.000 1.159 424 R HN 0.684 nan 8.270 nan 0.000 0.450 425 F N 2.115 122.045 119.950 -0.033 0.000 2.571 425 F HA 0.104 4.637 4.527 0.009 0.000 0.390 425 F C 1.340 177.067 175.800 -0.120 0.000 1.043 425 F CA 2.004 59.972 58.000 -0.054 0.000 1.164 425 F CB 0.408 39.422 39.000 0.024 0.000 1.049 425 F HN 0.900 nan 8.300 nan 0.000 0.552 426 G N 3.735 112.044 108.800 -0.819 0.000 2.205 426 G HA2 -0.291 3.675 3.960 0.009 0.000 0.261 426 G HA3 -0.291 3.675 3.960 0.009 0.000 0.261 426 G C 0.209 174.907 174.900 -0.337 0.000 0.980 426 G CA 0.114 44.830 45.100 -0.641 0.000 0.632 426 G HN 0.610 nan 8.290 nan 0.000 0.533 427 E N 1.738 121.796 120.200 -0.236 0.000 1.996 427 E HA 0.439 4.794 4.350 0.009 0.000 0.280 427 E C 1.175 177.679 176.600 -0.160 0.000 1.092 427 E CA 0.149 56.467 56.400 -0.137 0.000 0.862 427 E CB 0.537 30.197 29.700 -0.067 0.000 1.066 427 E HN 0.446 nan 8.360 nan 0.000 0.396 428 G N 1.868 110.581 108.800 -0.144 0.000 2.559 428 G HA2 0.147 4.112 3.960 0.009 0.000 0.235 428 G HA3 0.147 4.112 3.960 0.009 0.000 0.235 428 G C -0.113 174.735 174.900 -0.086 0.000 1.266 428 G CA -0.280 44.747 45.100 -0.123 0.000 0.847 428 G HN 0.315 nan 8.290 nan 0.000 0.583 429 V N 4.789 124.655 119.914 -0.080 0.000 2.483 429 V HA 0.364 4.489 4.120 0.009 0.000 0.297 429 V C -1.904 174.164 176.094 -0.044 0.000 1.027 429 V CA -1.391 60.875 62.300 -0.057 0.000 0.855 429 V CB 2.263 34.050 31.823 -0.061 0.000 0.995 429 V HN 0.739 nan 8.190 nan 0.000 0.424 430 P HA 0.245 nan 4.420 nan 0.000 0.271 430 P C -0.404 176.885 177.300 -0.019 0.000 1.216 430 P CA 0.177 63.263 63.100 -0.023 0.000 0.776 430 P CB 1.615 33.304 31.700 -0.018 0.000 0.881 431 V N 0.000 119.905 119.914 -0.015 0.000 2.409 431 V HA 0.000 4.125 4.120 0.009 0.000 0.244 431 V CA 0.000 62.295 62.300 -0.008 0.000 1.235 431 V CB 0.000 31.822 31.823 -0.001 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556