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 1gm8_1_B DATA FIRST_RESID 1 DATA SEQUENCE SNMWVIGKSK AQDAKAIMVN GPQFGWYAPA YTYGIGLHGA GYDVTGNTPF DATA SEQUENCE AYPGLVFGHN GVISWGSTAG FGDDVDIFAE RLSAEKPGYY LHNGKWVKML DATA SEQUENCE SREETITVKN GQAETFTVWR TVHGNILQTD QTTQTAYAKS RAWDGKEVAS DATA SEQUENCE LLAWTHQMKA KNWQEWTQQA AKQALTINWY YADVNGNIGY VHTGAYPDRQ DATA SEQUENCE SGHDPRLPVP GTGKWDWKGL LPFEMNPKVY NPQSGYIANW ANSPQKDYPA DATA SEQUENCE SDLFAFLWGG ADRVTEIDRL LEQKPRLTAD QAWDVIRQTS RQDLNLRLFL DATA SEQUENCE PTLQAATSGL TQSDPRRQLV ETLTRWDGIN LLNDDGKTWQ QPGSAILNVW DATA SEQUENCE LTSMLKRTVV AAVPMPFDKW YSASGYETTQ DGPTGSLNIS VGAKILYEAV DATA SEQUENCE QGDKSPIPQA VDLFAGKPQQ EVVLAALEDT WETLSKRYGN NVSNWKTPAM DATA SEQUENCE ALTFRANNFF GVPQAAAEET RHQAEYQNRG TENDMIVFSP TTSDRPVLAW DATA SEQUENCE DVVAPGQSGF IAPDGTVDKH YEDQLKMYEN FGRKSLWLTK QDVEAHKESQ DATA SEQUENCE EVLHVQR 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.715 174.600 0.192 0.000 1.055 1 S CA 0.000 58.306 58.200 0.176 0.000 1.107 1 S CB 0.000 63.240 63.200 0.066 0.000 0.593 2 N N 0.583 119.207 118.700 -0.126 0.000 2.469 2 N HA 0.909 5.690 4.740 0.069 0.000 0.286 2 N C -0.915 174.410 175.510 -0.308 0.000 1.275 2 N CA -0.929 51.968 53.050 -0.255 0.000 0.790 2 N CB 1.066 39.108 38.487 -0.742 0.000 1.446 2 N HN 0.607 nan 8.380 nan 0.000 0.501 3 M N -0.537 118.904 119.600 -0.265 0.000 2.426 3 M HA 0.600 5.121 4.480 0.069 0.000 0.289 3 M C -2.529 173.682 176.300 -0.148 0.000 1.168 3 M CA -0.322 54.696 55.300 -0.469 0.000 0.933 3 M CB 1.584 33.754 32.600 -0.718 0.000 1.750 3 M HN 0.788 nan 8.290 nan 0.000 0.494 4 W N 3.562 124.716 121.300 -0.243 0.000 3.042 4 W HA 0.787 5.485 4.660 0.064 0.000 0.337 4 W C -2.166 174.306 176.519 -0.077 0.000 1.086 4 W CA -1.217 56.043 57.345 -0.142 0.000 1.236 4 W CB 0.563 29.936 29.460 -0.145 0.000 1.381 4 W HN 0.498 nan 8.180 nan 0.000 0.472 5 V N 4.932 124.941 119.914 0.160 0.000 2.417 5 V HA 0.473 4.634 4.120 0.069 0.000 0.291 5 V C -0.103 176.108 176.094 0.194 0.000 1.024 5 V CA -1.040 61.343 62.300 0.138 0.000 0.861 5 V CB 1.396 33.317 31.823 0.163 0.000 0.985 5 V HN 0.627 nan 8.190 nan 0.000 0.436 6 I N 4.135 124.804 120.570 0.165 0.000 2.355 6 I HA 0.573 4.785 4.170 0.069 0.000 0.288 6 I C 1.011 177.190 176.117 0.103 0.000 0.999 6 I CA -0.088 61.303 61.300 0.152 0.000 1.163 6 I CB 1.577 39.655 38.000 0.129 0.000 1.316 6 I HN 0.753 nan 8.210 nan 0.000 0.454 7 G N 4.122 112.970 108.800 0.081 0.000 2.525 7 G HA2 0.172 4.173 3.960 0.069 0.000 0.287 7 G HA3 0.172 4.173 3.960 0.069 0.000 0.287 7 G C 0.733 175.645 174.900 0.019 0.000 1.350 7 G CA -0.427 44.686 45.100 0.020 0.000 1.039 7 G HN 0.701 nan 8.290 nan 0.000 0.513 8 K N -0.724 119.669 120.400 -0.011 0.000 2.059 8 K HA -0.202 4.159 4.320 0.069 0.000 0.212 8 K C 2.559 179.160 176.600 0.003 0.000 1.050 8 K CA 2.282 58.566 56.287 -0.004 0.000 0.927 8 K CB -0.339 32.147 32.500 -0.024 0.000 0.714 8 K HN 0.453 nan 8.250 nan 0.000 0.447 9 S N -0.616 115.082 115.700 -0.004 0.000 2.555 9 S HA 0.022 4.533 4.470 0.069 0.000 0.230 9 S C 1.333 175.944 174.600 0.018 0.000 0.978 9 S CA 0.514 58.716 58.200 0.003 0.000 0.934 9 S CB 0.172 63.367 63.200 -0.007 0.000 0.766 9 S HN 0.197 nan 8.310 nan 0.000 0.533 10 K N 0.506 120.925 120.400 0.032 0.000 2.402 10 K HA 0.467 4.828 4.320 0.069 0.000 0.203 10 K C 0.421 177.033 176.600 0.020 0.000 1.077 10 K CA 0.375 56.682 56.287 0.034 0.000 1.051 10 K CB 0.996 33.537 32.500 0.068 0.000 0.907 10 K HN 0.428 nan 8.250 nan 0.000 0.554 11 A N 1.467 124.304 122.820 0.028 0.000 2.304 11 A HA 0.418 4.779 4.320 0.069 0.000 0.301 11 A C -0.415 177.181 177.584 0.019 0.000 1.132 11 A CA -0.159 51.897 52.037 0.031 0.000 0.819 11 A CB 0.789 19.819 19.000 0.050 0.000 1.094 11 A HN 0.073 nan 8.150 nan 0.000 0.492 12 Q N 0.874 120.683 119.800 0.015 0.000 2.316 12 Q HA 0.447 4.828 4.340 0.069 0.000 0.264 12 Q C -0.858 175.151 176.000 0.014 0.000 0.987 12 Q CA 0.081 55.889 55.803 0.008 0.000 0.852 12 Q CB 0.947 29.683 28.738 -0.004 0.000 1.287 12 Q HN 0.709 nan 8.270 nan 0.000 0.448 13 D N 1.450 121.859 120.400 0.015 0.000 2.945 13 D HA -0.194 4.487 4.640 0.069 0.000 0.225 13 D C -1.111 175.207 176.300 0.031 0.000 1.158 13 D CA 1.491 55.502 54.000 0.019 0.000 0.805 13 D CB -1.314 39.493 40.800 0.013 0.000 1.098 13 D HN 0.698 nan 8.370 nan 0.000 0.426 14 A N -1.221 121.622 122.820 0.039 0.000 2.583 14 A HA 0.499 4.861 4.320 0.069 0.000 0.292 14 A C 0.331 177.952 177.584 0.062 0.000 1.045 14 A CA -0.630 51.441 52.037 0.057 0.000 0.672 14 A CB 1.045 20.086 19.000 0.069 0.000 1.283 14 A HN -0.098 nan 8.150 nan 0.000 0.419 15 K N -0.172 120.277 120.400 0.082 0.000 2.356 15 K HA 0.492 4.853 4.320 0.069 0.000 0.195 15 K C 0.452 177.094 176.600 0.070 0.000 1.037 15 K CA 1.197 57.522 56.287 0.064 0.000 1.014 15 K CB 0.712 33.246 32.500 0.057 0.000 0.815 15 K HN 1.074 nan 8.250 nan 0.000 0.507 16 A N 1.062 123.962 122.820 0.132 0.000 2.605 16 A HA 0.638 4.999 4.320 0.069 0.000 0.294 16 A C -1.648 176.082 177.584 0.242 0.000 1.062 16 A CA -0.756 51.368 52.037 0.145 0.000 0.682 16 A CB 1.149 20.178 19.000 0.049 0.000 1.278 16 A HN 0.092 nan 8.150 nan 0.000 0.410 17 I N 1.505 122.191 120.570 0.193 0.000 2.571 17 I HA 0.500 4.711 4.170 0.069 0.000 0.289 17 I C -0.536 175.664 176.117 0.138 0.000 1.115 17 I CA -0.172 61.230 61.300 0.170 0.000 1.045 17 I CB 2.197 40.276 38.000 0.130 0.000 1.238 17 I HN 0.781 nan 8.210 nan 0.000 0.424 18 M N 7.369 127.033 119.600 0.107 0.000 2.243 18 M HA 0.670 5.191 4.480 0.069 0.000 0.324 18 M C -1.982 174.251 176.300 -0.112 0.000 1.031 18 M CA -0.557 54.748 55.300 0.009 0.000 0.949 18 M CB 1.729 34.377 32.600 0.082 0.000 1.615 18 M HN 0.363 nan 8.290 nan 0.000 0.430 19 V N 5.210 124.894 119.914 -0.382 0.000 2.443 19 V HA 0.457 4.618 4.120 0.069 0.000 0.293 19 V C -0.813 174.767 176.094 -0.857 0.000 1.021 19 V CA -0.701 61.219 62.300 -0.633 0.000 0.848 19 V CB 1.734 32.949 31.823 -1.015 0.000 0.998 19 V HN 0.955 nan 8.190 nan 0.000 0.424 20 N N 2.699 121.066 118.700 -0.554 0.000 2.269 20 N HA 0.729 5.511 4.740 0.069 0.000 0.304 20 N C -0.091 175.120 175.510 -0.498 0.000 1.072 20 N CA -0.421 52.335 53.050 -0.491 0.000 0.802 20 N CB 2.075 40.441 38.487 -0.202 0.000 1.348 20 N HN 0.855 nan 8.380 nan 0.000 0.484 21 G N 2.949 111.471 108.800 -0.465 0.000 4.332 21 G HA2 0.267 4.268 3.960 0.069 0.000 0.321 21 G HA3 0.267 4.268 3.960 0.069 0.000 0.321 21 G C -2.853 171.888 174.900 -0.265 0.000 1.439 21 G CA -0.810 44.072 45.100 -0.363 0.000 0.900 21 G HN 0.409 nan 8.290 nan 0.000 0.515 22 P HA 0.116 nan 4.420 nan 0.000 0.271 22 P C -0.624 176.422 177.300 -0.422 0.000 1.226 22 P CA 0.277 63.199 63.100 -0.296 0.000 0.765 22 P CB 1.545 33.154 31.700 -0.153 0.000 0.835 23 Q N 2.653 122.138 119.800 -0.525 0.000 2.394 23 Q HA 0.333 4.714 4.340 0.069 0.000 0.259 23 Q C -0.519 175.084 176.000 -0.663 0.000 1.021 23 Q CA -0.332 55.186 55.803 -0.476 0.000 0.805 23 Q CB 0.933 29.573 28.738 -0.164 0.000 1.226 23 Q HN 0.471 nan 8.270 nan 0.000 0.476 24 F N 0.436 120.093 119.950 -0.488 0.000 2.729 24 F HA 0.369 4.932 4.527 0.060 0.000 0.315 24 F C 1.052 176.576 175.800 -0.460 0.000 1.102 24 F CA 0.074 57.758 58.000 -0.528 0.000 1.204 24 F CB 1.298 39.672 39.000 -1.045 0.000 1.052 24 F HN 0.733 nan 8.300 nan 0.000 0.551 25 G N -0.214 108.212 108.800 -0.624 0.000 2.655 25 G HA2 -0.155 3.846 3.960 0.069 0.000 0.680 25 G HA3 -0.155 3.846 3.960 0.069 0.000 0.680 25 G C -1.283 172.952 174.900 -1.107 0.000 1.302 25 G CA -1.158 43.508 45.100 -0.723 0.000 0.872 25 G HN 0.092 nan 8.290 nan 0.000 0.540 26 W N -0.254 120.482 121.300 -0.940 0.000 2.683 26 W HA 0.640 5.298 4.660 -0.004 0.000 0.329 26 W C -1.043 174.878 176.519 -0.998 0.000 1.037 26 W CA -0.741 56.088 57.345 -0.861 0.000 1.232 26 W CB 2.000 30.895 29.460 -0.941 0.000 1.390 26 W HN 0.564 nan 8.180 nan 0.000 0.465 27 Y N 0.662 121.138 120.300 0.293 0.000 2.581 27 Y HA 0.661 5.272 4.550 0.101 0.000 0.345 27 Y C -0.103 175.965 175.900 0.279 0.000 1.036 27 Y CA -1.439 56.825 58.100 0.273 0.000 1.042 27 Y CB 1.827 40.418 38.460 0.219 0.000 1.289 27 Y HN 0.374 nan 8.280 nan 0.000 0.471 28 A N 3.281 126.292 122.820 0.319 0.000 2.335 28 A HA 0.739 5.100 4.320 0.069 0.000 0.304 28 A C -2.896 174.750 177.584 0.102 0.000 1.118 28 A CA -1.940 50.168 52.037 0.119 0.000 0.757 28 A CB 0.948 19.978 19.000 0.050 0.000 1.188 28 A HN 0.386 nan 8.150 nan 0.000 0.460 29 P HA 0.313 nan 4.420 nan 0.000 0.274 29 P C 0.310 177.633 177.300 0.039 0.000 1.260 29 P CA -0.045 63.038 63.100 -0.030 0.000 0.793 29 P CB 0.564 32.247 31.700 -0.028 0.000 1.048 30 A N 0.279 123.102 122.820 0.005 0.000 2.587 30 A HA -0.141 4.220 4.320 0.069 0.000 0.235 30 A C 1.094 178.688 177.584 0.017 0.000 1.044 30 A CA 0.128 52.196 52.037 0.051 0.000 0.754 30 A CB -1.062 17.936 19.000 -0.004 0.000 0.968 30 A HN 0.662 nan 8.150 nan 0.000 0.509 31 Y N 2.719 122.995 120.300 -0.039 0.000 2.224 31 Y HA -0.090 4.508 4.550 0.079 0.000 0.289 31 Y C 1.745 177.408 175.900 -0.395 0.000 1.146 31 Y CA 2.113 60.058 58.100 -0.258 0.000 1.182 31 Y CB -0.092 38.297 38.460 -0.118 0.000 0.983 31 Y HN 0.789 nan 8.280 nan 0.000 0.524 32 T N -2.657 111.826 114.554 -0.119 0.000 2.937 32 T HA 0.362 4.753 4.350 0.069 0.000 0.283 32 T C -1.565 173.106 174.700 -0.048 0.000 1.012 32 T CA -0.628 61.393 62.100 -0.132 0.000 0.997 32 T CB 1.868 70.777 68.868 0.069 0.000 1.136 32 T HN 0.123 nan 8.240 nan 0.000 0.551 33 Y N -0.294 119.918 120.300 -0.147 0.000 2.354 33 Y HA 0.556 5.146 4.550 0.067 0.000 0.330 33 Y C 0.038 175.901 175.900 -0.061 0.000 1.011 33 Y CA -0.740 57.292 58.100 -0.114 0.000 1.099 33 Y CB 1.367 39.734 38.460 -0.155 0.000 1.179 33 Y HN 1.134 nan 8.280 nan 0.000 0.442 34 G N 5.421 113.915 108.800 -0.511 0.000 2.390 34 G HA2 0.487 4.488 3.960 0.069 0.000 0.270 34 G HA3 0.487 4.488 3.960 0.069 0.000 0.270 34 G C -1.532 173.184 174.900 -0.308 0.000 1.211 34 G CA -0.206 44.711 45.100 -0.305 0.000 0.842 34 G HN 0.720 nan 8.290 nan 0.000 0.519 35 I N 0.945 121.471 120.570 -0.073 0.000 2.787 35 I HA 0.685 4.896 4.170 0.069 0.000 0.294 35 I C -0.276 175.838 176.117 -0.005 0.000 1.365 35 I CA -0.439 60.872 61.300 0.017 0.000 1.029 35 I CB 2.144 40.238 38.000 0.156 0.000 1.313 35 I HN 0.742 nan 8.210 nan 0.000 0.431 36 G N 7.125 115.919 108.800 -0.011 0.000 2.566 36 G HA2 0.705 4.706 3.960 0.069 0.000 0.311 36 G HA3 0.705 4.706 3.960 0.069 0.000 0.311 36 G C -1.831 172.883 174.900 -0.311 0.000 1.322 36 G CA -0.625 44.422 45.100 -0.087 0.000 0.969 36 G HN 0.616 nan 8.290 nan 0.000 0.490 37 L N 3.161 124.025 121.223 -0.598 0.000 2.376 37 L HA 0.506 4.887 4.340 0.069 0.000 0.275 37 L C -0.925 175.556 176.870 -0.648 0.000 0.987 37 L CA -0.942 53.620 54.840 -0.463 0.000 0.828 37 L CB 2.088 43.990 42.059 -0.262 0.000 1.249 37 L HN 0.503 nan 8.230 nan 0.000 0.409 38 H N 2.823 121.951 119.070 0.097 0.000 3.013 38 H HA 0.702 5.299 4.556 0.069 0.000 0.326 38 H C 0.018 175.412 175.328 0.111 0.000 0.973 38 H CA -0.622 55.493 56.048 0.112 0.000 1.369 38 H CB 2.158 31.965 29.762 0.077 0.000 1.598 38 H HN 0.818 nan 8.280 nan 0.000 0.518 39 G N 0.565 109.494 108.800 0.214 0.000 2.340 39 G HA2 0.368 4.369 3.960 0.069 0.000 0.527 39 G HA3 0.368 4.369 3.960 0.069 0.000 0.527 39 G C -0.120 174.896 174.900 0.195 0.000 1.381 39 G CA -0.313 44.887 45.100 0.167 0.000 1.001 39 G HN 1.147 nan 8.290 nan 0.000 0.626 40 A N -1.271 121.631 122.820 0.136 0.000 2.832 40 A HA 0.385 4.746 4.320 0.069 0.000 0.280 40 A C 2.417 180.035 177.584 0.057 0.000 1.464 40 A CA 2.156 54.273 52.037 0.132 0.000 0.804 40 A CB -1.560 17.562 19.000 0.203 0.000 1.020 40 A HN 3.296 nan 8.150 nan 0.000 0.563 41 G N -3.961 104.833 108.800 -0.010 0.000 2.213 41 G HA2 -0.249 3.753 3.960 0.069 0.000 0.236 41 G HA3 -0.249 3.753 3.960 0.069 0.000 0.236 41 G C 0.044 174.784 174.900 -0.266 0.000 0.991 41 G CA 0.604 45.606 45.100 -0.164 0.000 0.629 41 G HN 1.453 nan 8.290 nan 0.000 0.517 42 Y N 0.722 121.063 120.300 0.068 0.000 2.320 42 Y HA 0.618 5.210 4.550 0.069 0.000 0.324 42 Y C 0.232 176.186 175.900 0.091 0.000 1.190 42 Y CA -0.509 57.632 58.100 0.067 0.000 1.215 42 Y CB 1.613 40.087 38.460 0.022 0.000 1.221 42 Y HN 0.057 nan 8.280 nan 0.000 0.486 43 D N 1.785 122.341 120.400 0.260 0.000 2.411 43 D HA 0.392 5.073 4.640 0.069 0.000 0.239 43 D C -1.683 174.753 176.300 0.225 0.000 1.307 43 D CA -0.181 53.982 54.000 0.272 0.000 0.930 43 D CB 0.410 41.362 40.800 0.253 0.000 1.395 43 D HN 0.371 nan 8.370 nan 0.000 0.536 44 V N -0.286 119.687 119.914 0.098 0.000 3.130 44 V HA 0.963 5.125 4.120 0.069 0.000 0.310 44 V C -0.692 175.373 176.094 -0.049 0.000 1.158 44 V CA -0.532 61.816 62.300 0.081 0.000 1.029 44 V CB 2.023 34.011 31.823 0.275 0.000 1.057 44 V HN 0.284 nan 8.190 nan 0.000 0.436 45 T N 0.406 114.862 114.554 -0.162 0.000 2.932 45 T HA 0.890 5.282 4.350 0.069 0.000 0.318 45 T C -0.228 174.365 174.700 -0.178 0.000 1.265 45 T CA 0.620 62.626 62.100 -0.158 0.000 1.036 45 T CB 1.138 69.907 68.868 -0.164 0.000 1.209 45 T HN 2.387 nan 8.240 nan 0.000 0.484 46 G N 3.126 111.881 108.800 -0.075 0.000 2.404 46 G HA2 0.405 4.406 3.960 0.069 0.000 0.253 46 G HA3 0.405 4.406 3.960 0.069 0.000 0.253 46 G C -1.812 173.111 174.900 0.039 0.000 1.253 46 G CA -0.075 45.015 45.100 -0.017 0.000 0.917 46 G HN 1.207 nan 8.290 nan 0.000 0.480 47 N N -1.817 116.966 118.700 0.137 0.000 2.647 47 N HA 0.774 5.555 4.740 0.069 0.000 0.266 47 N C -0.969 174.686 175.510 0.242 0.000 1.373 47 N CA -0.048 53.087 53.050 0.142 0.000 0.807 47 N CB 2.510 41.052 38.487 0.091 0.000 1.513 47 N HN 0.813 nan 8.380 nan 0.000 0.505 48 T N -0.608 114.030 114.554 0.140 0.000 2.957 48 T HA 0.493 4.884 4.350 0.069 0.000 0.336 48 T C -3.139 171.427 174.700 -0.222 0.000 1.462 48 T CA -1.201 60.900 62.100 0.001 0.000 1.073 48 T CB 1.297 70.121 68.868 -0.074 0.000 1.319 48 T HN 0.441 nan 8.240 nan 0.000 0.485 49 P HA 0.318 nan 4.420 nan 0.000 0.267 49 P C 0.017 176.646 177.300 -1.117 0.000 1.205 49 P CA 0.279 62.846 63.100 -0.889 0.000 0.765 49 P CB -0.258 30.936 31.700 -0.844 0.000 0.828 50 F N 1.390 120.804 119.950 -0.894 0.000 3.100 50 F HA -0.285 4.282 4.527 0.067 0.000 0.284 50 F C 1.253 176.733 175.800 -0.533 0.000 0.875 50 F CA 0.975 58.587 58.000 -0.648 0.000 1.039 50 F CB -2.448 36.180 39.000 -0.619 0.000 1.111 50 F HN 0.564 nan 8.300 nan 0.000 0.575 51 A N -2.036 120.564 122.820 -0.366 0.000 2.640 51 A HA -0.245 4.116 4.320 0.069 0.000 0.300 51 A C 0.456 177.937 177.584 -0.171 0.000 1.499 51 A CA 0.905 52.757 52.037 -0.307 0.000 0.759 51 A CB -2.282 16.331 19.000 -0.646 0.000 1.048 51 A HN 0.511 nan 8.150 nan 0.000 0.450 52 Y N -1.377 118.841 120.300 -0.137 0.000 2.683 52 Y HA 0.209 4.800 4.550 0.069 0.000 0.340 52 Y C -0.341 175.462 175.900 -0.162 0.000 1.245 52 Y CA -0.864 57.138 58.100 -0.165 0.000 1.485 52 Y CB -0.467 37.853 38.460 -0.234 0.000 1.328 52 Y HN 0.240 nan 8.280 nan 0.000 0.603 53 P HA -0.148 nan 4.420 nan 0.000 0.216 53 P C 0.436 177.681 177.300 -0.091 0.000 1.154 53 P CA 1.882 64.934 63.100 -0.080 0.000 0.865 53 P CB 0.097 31.733 31.700 -0.108 0.000 0.789 54 G N -0.122 108.643 108.800 -0.058 0.000 2.339 54 G HA2 0.409 4.410 3.960 0.069 0.000 0.287 54 G HA3 0.409 4.410 3.960 0.069 0.000 0.287 54 G C -0.769 174.110 174.900 -0.035 0.000 1.163 54 G CA -0.307 44.765 45.100 -0.047 0.000 0.872 54 G HN -0.052 nan 8.290 nan 0.000 0.464 55 L N 2.815 124.067 121.223 0.048 0.000 2.360 55 L HA 0.126 4.507 4.340 0.069 0.000 0.276 55 L C 1.524 178.473 176.870 0.131 0.000 1.121 55 L CA 0.076 54.989 54.840 0.123 0.000 0.845 55 L CB 1.572 43.816 42.059 0.307 0.000 1.143 55 L HN 0.347 nan 8.230 nan 0.000 0.452 56 V N 2.920 122.713 119.914 -0.201 0.000 2.719 56 V HA -0.055 4.106 4.120 0.069 0.000 0.252 56 V C 0.108 176.004 176.094 -0.330 0.000 1.065 56 V CA 1.082 63.117 62.300 -0.442 0.000 1.086 56 V CB -0.573 30.636 31.823 -1.023 0.000 0.700 56 V HN 0.479 nan 8.190 nan 0.000 0.467 57 F N 0.032 120.202 119.950 0.367 0.000 2.500 57 F HA 0.796 5.365 4.527 0.070 0.000 0.349 57 F C 0.496 176.289 175.800 -0.012 0.000 1.127 57 F CA -0.499 57.610 58.000 0.181 0.000 0.998 57 F CB 1.352 40.430 39.000 0.129 0.000 1.237 57 F HN 0.046 nan 8.300 nan 0.000 0.439 58 G N 1.754 110.340 108.800 -0.356 0.000 2.325 58 G HA2 0.507 4.509 3.960 0.069 0.000 0.295 58 G HA3 0.507 4.509 3.960 0.069 0.000 0.295 58 G C -2.141 171.988 174.900 -1.285 0.000 1.274 58 G CA -0.660 44.113 45.100 -0.545 0.000 0.857 58 G HN 0.941 nan 8.290 nan 0.000 0.499 59 H N -2.075 116.402 119.070 -0.989 0.000 3.014 59 H HA 0.664 5.261 4.556 0.068 0.000 0.337 59 H C -0.207 174.972 175.328 -0.247 0.000 1.320 59 H CA -0.344 55.164 56.048 -0.900 0.000 1.128 59 H CB 1.245 30.735 29.762 -0.452 0.000 1.862 59 H HN 0.572 nan 8.280 nan 0.000 0.536 60 N N 0.023 118.813 118.700 0.149 0.000 2.235 60 N HA 0.259 5.040 4.740 0.069 0.000 0.231 60 N C 1.134 176.840 175.510 0.326 0.000 1.177 60 N CA 0.050 53.262 53.050 0.271 0.000 0.874 60 N CB 1.045 39.799 38.487 0.444 0.000 1.097 60 N HN 1.274 nan 8.380 nan 0.000 0.518 61 G N -0.966 108.166 108.800 0.553 0.000 2.241 61 G HA2 -0.306 3.695 3.960 0.069 0.000 0.244 61 G HA3 -0.306 3.695 3.960 0.069 0.000 0.244 61 G C 0.515 175.559 174.900 0.241 0.000 0.998 61 G CA 0.466 45.752 45.100 0.310 0.000 0.621 61 G HN 0.271 nan 8.290 nan 0.000 0.519 62 V N 0.859 120.944 119.914 0.284 0.000 3.058 62 V HA 0.486 4.647 4.120 0.069 0.000 0.233 62 V C 1.134 177.369 176.094 0.234 0.000 1.255 62 V CA 1.424 63.867 62.300 0.239 0.000 1.267 62 V CB 0.330 32.273 31.823 0.200 0.000 1.049 62 V HN 0.815 nan 8.190 nan 0.000 0.486 63 I N -0.842 119.873 120.570 0.241 0.000 3.002 63 I HA 0.872 5.083 4.170 0.069 0.000 0.310 63 I C -0.544 175.700 176.117 0.211 0.000 1.087 63 I CA -0.463 60.858 61.300 0.034 0.000 1.017 63 I CB 2.464 40.361 38.000 -0.172 0.000 1.226 63 I HN 0.186 nan 8.210 nan 0.000 0.443 64 S N 1.753 117.495 115.700 0.069 0.000 2.632 64 S HA 0.854 5.365 4.470 0.069 0.000 0.289 64 S C -1.428 173.170 174.600 -0.003 0.000 1.115 64 S CA -0.589 57.592 58.200 -0.032 0.000 0.889 64 S CB 1.516 64.790 63.200 0.124 0.000 1.116 64 S HN 0.988 nan 8.310 nan 0.000 0.486 65 W N -0.577 120.806 121.300 0.138 0.000 3.062 65 W HA 0.914 5.614 4.660 0.067 0.000 0.336 65 W C -0.313 176.372 176.519 0.277 0.000 1.224 65 W CA -0.712 56.739 57.345 0.177 0.000 1.159 65 W CB 0.843 30.436 29.460 0.223 0.000 1.454 65 W HN 1.089 nan 8.180 nan 0.000 0.569 66 G N -0.003 109.176 108.800 0.633 0.000 2.550 66 G HA2 0.612 4.613 3.960 0.069 0.000 0.293 66 G HA3 0.612 4.613 3.960 0.069 0.000 0.293 66 G C -1.824 173.540 174.900 0.773 0.000 1.402 66 G CA -0.967 44.520 45.100 0.645 0.000 0.784 66 G HN 0.634 nan 8.290 nan 0.000 0.482 67 S N -1.268 114.927 115.700 0.824 0.000 2.588 67 S HA 0.910 5.422 4.470 0.069 0.000 0.275 67 S C -0.399 174.678 174.600 0.794 0.000 1.130 67 S CA -0.206 58.517 58.200 0.872 0.000 0.855 67 S CB 2.074 65.775 63.200 0.836 0.000 1.116 67 S HN 1.414 nan 8.310 nan 0.000 0.472 68 T N -1.321 113.706 114.554 0.788 0.000 2.883 68 T HA 0.821 5.212 4.350 0.069 0.000 0.296 68 T C -0.428 174.577 174.700 0.510 0.000 1.117 68 T CA -0.856 61.578 62.100 0.556 0.000 1.006 68 T CB 1.301 70.476 68.868 0.512 0.000 1.191 68 T HN 0.814 nan 8.240 nan 0.000 0.508 69 A N 0.618 123.678 122.820 0.400 0.000 2.520 69 A HA 0.552 4.914 4.320 0.069 0.000 0.245 69 A C 1.532 179.382 177.584 0.444 0.000 1.072 69 A CA 0.130 52.344 52.037 0.296 0.000 0.761 69 A CB -0.484 18.588 19.000 0.121 0.000 1.004 69 A HN 1.271 nan 8.150 nan 0.000 0.499 70 G N 0.866 109.853 108.800 0.312 0.000 2.394 70 G HA2 0.087 4.088 3.960 0.069 0.000 0.214 70 G HA3 0.087 4.088 3.960 0.069 0.000 0.214 70 G C 0.522 175.883 174.900 0.767 0.000 1.176 70 G CA 0.724 46.113 45.100 0.482 0.000 0.786 70 G HN 0.951 nan 8.290 nan 0.000 0.533 71 F N 0.082 120.219 119.950 0.311 0.000 3.084 71 F HA -0.175 4.390 4.527 0.062 0.000 0.286 71 F C 1.561 177.503 175.800 0.236 0.000 0.855 71 F CA -0.041 58.003 58.000 0.074 0.000 1.091 71 F CB -1.512 37.392 39.000 -0.160 0.000 1.177 71 F HN 0.346 nan 8.300 nan 0.000 0.542 72 G N 0.027 109.213 108.800 0.642 0.000 2.572 72 G HA2 0.322 4.323 3.960 0.069 0.000 0.261 72 G HA3 0.322 4.323 3.960 0.069 0.000 0.261 72 G C -0.558 174.551 174.900 0.348 0.000 1.197 72 G CA -0.224 45.253 45.100 0.628 0.000 0.870 72 G HN 0.176 nan 8.290 nan 0.000 0.548 73 D N 0.270 120.794 120.400 0.208 0.000 2.468 73 D HA 0.132 4.813 4.640 0.069 0.000 0.218 73 D C 0.208 176.664 176.300 0.259 0.000 1.155 73 D CA -0.562 53.529 54.000 0.151 0.000 0.924 73 D CB 0.754 41.570 40.800 0.028 0.000 1.029 73 D HN 0.336 nan 8.370 nan 0.000 0.515 74 D N 1.907 122.473 120.400 0.278 0.000 2.440 74 D HA 0.047 4.728 4.640 0.069 0.000 0.216 74 D C -0.091 176.319 176.300 0.184 0.000 1.150 74 D CA -0.256 53.861 54.000 0.195 0.000 0.832 74 D CB 0.196 41.082 40.800 0.144 0.000 0.992 74 D HN 0.037 nan 8.370 nan 0.000 0.502 75 V N 0.960 121.004 119.914 0.216 0.000 2.531 75 V HA 0.411 4.572 4.120 0.069 0.000 0.301 75 V C -0.891 175.371 176.094 0.279 0.000 1.034 75 V CA -0.705 61.736 62.300 0.236 0.000 0.865 75 V CB 2.092 34.009 31.823 0.157 0.000 0.995 75 V HN -0.001 nan 8.190 nan 0.000 0.424 76 D N 3.642 124.252 120.400 0.350 0.000 2.601 76 D HA 0.546 5.227 4.640 0.069 0.000 0.230 76 D C -0.904 175.434 176.300 0.064 0.000 1.106 76 D CA -0.408 53.721 54.000 0.215 0.000 0.873 76 D CB 2.667 43.642 40.800 0.291 0.000 1.515 76 D HN 0.171 nan 8.370 nan 0.000 0.468 77 I N 1.231 121.775 120.570 -0.042 0.000 2.336 77 I HA 0.331 4.542 4.170 0.069 0.000 0.292 77 I C -0.334 175.666 176.117 -0.195 0.000 0.991 77 I CA -0.462 60.827 61.300 -0.018 0.000 1.227 77 I CB 0.297 38.318 38.000 0.035 0.000 1.366 77 I HN 0.173 nan 8.210 nan 0.000 0.466 78 F N 3.939 123.817 119.950 -0.119 0.000 2.415 78 F HA 0.510 5.078 4.527 0.068 0.000 0.348 78 F C 0.777 176.494 175.800 -0.138 0.000 1.119 78 F CA -0.658 57.194 58.000 -0.247 0.000 1.069 78 F CB 1.597 40.204 39.000 -0.655 0.000 1.124 78 F HN 0.528 nan 8.300 nan 0.000 0.472 79 A N 4.239 127.059 122.820 0.001 0.000 2.437 79 A HA 0.307 4.668 4.320 0.069 0.000 0.303 79 A C 0.057 177.563 177.584 -0.131 0.000 1.324 79 A CA -0.620 51.310 52.037 -0.178 0.000 0.983 79 A CB -0.420 18.517 19.000 -0.104 0.000 1.142 79 A HN 0.598 nan 8.150 nan 0.000 0.541 80 E N 1.340 121.444 120.200 -0.160 0.000 2.354 80 E HA 0.136 4.527 4.350 0.069 0.000 0.269 80 E C 0.115 176.712 176.600 -0.006 0.000 1.036 80 E CA -0.320 56.060 56.400 -0.034 0.000 0.876 80 E CB 1.176 30.819 29.700 -0.096 0.000 1.009 80 E HN 0.641 nan 8.360 nan 0.000 0.416 81 R N 3.456 124.015 120.500 0.098 0.000 2.196 81 R HA 0.289 4.670 4.340 0.069 0.000 0.340 81 R C -0.406 176.047 176.300 0.255 0.000 1.043 81 R CA -0.220 55.948 56.100 0.113 0.000 0.883 81 R CB 0.074 30.418 30.300 0.073 0.000 1.078 81 R HN 0.407 nan 8.270 nan 0.000 0.462 82 L N 1.974 123.327 121.223 0.217 0.000 2.416 82 L HA 0.537 4.918 4.340 0.069 0.000 0.263 82 L C 0.085 177.125 176.870 0.283 0.000 1.065 82 L CA -0.954 54.051 54.840 0.276 0.000 0.798 82 L CB 1.750 43.865 42.059 0.093 0.000 1.267 82 L HN 0.663 nan 8.230 nan 0.000 0.467 83 S N -1.020 114.740 115.700 0.101 0.000 2.575 83 S HA 0.539 5.050 4.470 0.069 0.000 0.278 83 S C 0.325 174.845 174.600 -0.133 0.000 1.139 83 S CA -0.055 58.085 58.200 -0.100 0.000 0.954 83 S CB 1.840 64.751 63.200 -0.481 0.000 1.054 83 S HN 0.684 nan 8.310 nan 0.000 0.483 84 A N 3.540 126.303 122.820 -0.095 0.000 1.972 84 A HA -0.016 4.345 4.320 0.069 0.000 0.219 84 A C 1.700 179.209 177.584 -0.124 0.000 1.169 84 A CA 1.689 53.675 52.037 -0.085 0.000 0.635 84 A CB -0.741 18.226 19.000 -0.055 0.000 0.810 84 A HN 0.940 nan 8.150 nan 0.000 0.446 85 E N -0.049 120.042 120.200 -0.182 0.000 2.153 85 E HA -0.136 4.255 4.350 0.069 0.000 0.194 85 E C 0.013 176.461 176.600 -0.254 0.000 0.988 85 E CA 1.037 57.309 56.400 -0.213 0.000 0.811 85 E CB -0.093 29.448 29.700 -0.266 0.000 0.746 85 E HN 0.573 nan 8.360 nan 0.000 0.466 86 K N 1.295 121.504 120.400 -0.319 0.000 2.753 86 K HA 0.270 4.631 4.320 0.069 0.000 0.185 86 K C -2.743 173.822 176.600 -0.058 0.000 1.071 86 K CA -1.737 54.359 56.287 -0.318 0.000 0.999 86 K CB 1.494 33.601 32.500 -0.655 0.000 1.244 86 K HN -0.104 nan 8.250 nan 0.000 0.594 87 P HA -0.003 nan 4.420 nan 0.000 0.267 87 P C 0.809 178.192 177.300 0.139 0.000 1.209 87 P CA 0.800 63.918 63.100 0.029 0.000 0.763 87 P CB 0.871 32.575 31.700 0.007 0.000 0.816 88 G N 1.083 109.895 108.800 0.020 0.000 2.159 88 G HA2 -0.212 3.789 3.960 0.069 0.000 0.227 88 G HA3 -0.212 3.789 3.960 0.069 0.000 0.227 88 G C -0.466 174.499 174.900 0.108 0.000 0.986 88 G CA -0.332 44.781 45.100 0.021 0.000 0.651 88 G HN 0.444 nan 8.290 nan 0.000 0.523 89 Y N -0.533 119.854 120.300 0.145 0.000 2.598 89 Y HA 0.757 5.348 4.550 0.069 0.000 0.340 89 Y C 0.194 176.367 175.900 0.456 0.000 1.038 89 Y CA -1.260 57.002 58.100 0.270 0.000 1.100 89 Y CB 1.618 40.211 38.460 0.221 0.000 1.281 89 Y HN 0.454 nan 8.280 nan 0.000 0.488 90 Y N -0.699 119.872 120.300 0.452 0.000 2.597 90 Y HA 0.663 5.254 4.550 0.069 0.000 0.340 90 Y C -1.948 174.021 175.900 0.115 0.000 1.097 90 Y CA -1.949 56.352 58.100 0.335 0.000 1.037 90 Y CB 0.631 39.166 38.460 0.126 0.000 1.305 90 Y HN 0.458 nan 8.280 nan 0.000 0.463 91 L N 3.923 124.962 121.223 -0.305 0.000 2.281 91 L HA 0.448 4.829 4.340 0.069 0.000 0.285 91 L C -0.867 175.857 176.870 -0.243 0.000 1.074 91 L CA 0.253 54.654 54.840 -0.732 0.000 0.817 91 L CB -0.037 41.404 42.059 -1.031 0.000 1.168 91 L HN 0.886 nan 8.230 nan 0.000 0.434 92 H N 5.191 124.037 119.070 -0.374 0.000 2.966 92 H HA 0.238 4.836 4.556 0.069 0.000 0.347 92 H C -0.348 174.872 175.328 -0.180 0.000 1.048 92 H CA -0.427 55.510 56.048 -0.185 0.000 1.295 92 H CB 0.899 30.566 29.762 -0.159 0.000 1.744 92 H HN 0.838 nan 8.280 nan 0.000 0.513 93 N N 3.213 121.550 118.700 -0.605 0.000 2.705 93 N HA -0.253 4.528 4.740 0.069 0.000 0.255 93 N C 0.995 176.350 175.510 -0.258 0.000 1.008 93 N CA 0.739 53.543 53.050 -0.410 0.000 0.742 93 N CB -0.804 37.431 38.487 -0.419 0.000 0.906 93 N HN 1.016 nan 8.380 nan 0.000 0.541 94 G N -1.195 107.457 108.800 -0.248 0.000 2.189 94 G HA2 -0.387 3.614 3.960 0.069 0.000 0.267 94 G HA3 -0.387 3.614 3.960 0.069 0.000 0.267 94 G C 0.088 174.847 174.900 -0.235 0.000 0.975 94 G CA 1.169 46.139 45.100 -0.216 0.000 0.644 94 G HN 0.495 nan 8.290 nan 0.000 0.537 95 K N -1.225 119.019 120.400 -0.261 0.000 2.267 95 K HA 0.544 4.905 4.320 0.069 0.000 0.246 95 K C -0.711 175.698 176.600 -0.319 0.000 0.954 95 K CA -0.969 55.198 56.287 -0.201 0.000 0.824 95 K CB 1.155 33.600 32.500 -0.092 0.000 1.167 95 K HN 0.169 nan 8.250 nan 0.000 0.431 96 W N 2.175 123.455 121.300 -0.034 0.000 2.388 96 W HA 0.297 4.998 4.660 0.068 0.000 0.308 96 W C -0.395 176.159 176.519 0.059 0.000 1.263 96 W CA -0.449 56.894 57.345 -0.003 0.000 1.286 96 W CB 0.704 30.148 29.460 -0.026 0.000 1.294 96 W HN 0.053 nan 8.180 nan 0.000 0.493 97 V N 4.611 124.525 119.914 0.001 0.000 2.667 97 V HA 0.294 4.455 4.120 0.069 0.000 0.308 97 V C 0.221 176.187 176.094 -0.214 0.000 1.048 97 V CA -1.640 60.547 62.300 -0.188 0.000 0.928 97 V CB 1.744 33.230 31.823 -0.563 0.000 1.004 97 V HN 0.271 nan 8.190 nan 0.000 0.444 98 K N 3.737 123.978 120.400 -0.264 0.000 2.276 98 K HA 0.407 4.768 4.320 0.069 0.000 0.283 98 K C -0.221 176.328 176.600 -0.084 0.000 1.044 98 K CA -0.325 55.631 56.287 -0.552 0.000 0.944 98 K CB 0.625 32.826 32.500 -0.499 0.000 1.012 98 K HN 0.613 nan 8.250 nan 0.000 0.472 99 M N 3.977 123.614 119.600 0.061 0.000 2.245 99 M HA -0.019 4.502 4.480 0.069 0.000 0.344 99 M C 0.172 176.555 176.300 0.138 0.000 1.170 99 M CA -0.399 55.044 55.300 0.237 0.000 1.135 99 M CB 0.361 33.172 32.600 0.351 0.000 1.574 99 M HN 0.422 nan 8.290 nan 0.000 0.452 100 L N 3.742 125.020 121.223 0.093 0.000 2.397 100 L HA 0.391 4.772 4.340 0.069 0.000 0.271 100 L C -0.128 176.725 176.870 -0.028 0.000 1.148 100 L CA 0.534 55.381 54.840 0.011 0.000 0.825 100 L CB 0.813 42.864 42.059 -0.014 0.000 1.117 100 L HN 0.828 nan 8.230 nan 0.000 0.456 101 S N 4.569 120.166 115.700 -0.171 0.000 2.638 101 S HA 0.918 5.429 4.470 0.069 0.000 0.274 101 S C -0.941 173.445 174.600 -0.357 0.000 1.157 101 S CA -1.040 56.919 58.200 -0.402 0.000 0.826 101 S CB 2.049 64.687 63.200 -0.937 0.000 1.139 101 S HN 0.986 nan 8.310 nan 0.000 0.474 102 R N 0.265 120.518 120.500 -0.412 0.000 2.643 102 R HA 0.565 4.946 4.340 0.069 0.000 0.269 102 R C -1.628 174.438 176.300 -0.390 0.000 1.037 102 R CA -0.722 55.185 56.100 -0.321 0.000 0.894 102 R CB 1.420 31.583 30.300 -0.229 0.000 1.238 102 R HN 0.724 nan 8.270 nan 0.000 0.459 103 E N 1.368 121.372 120.200 -0.327 0.000 2.242 103 E HA 0.261 4.652 4.350 0.069 0.000 0.275 103 E C -0.782 175.591 176.600 -0.378 0.000 1.002 103 E CA -0.819 55.368 56.400 -0.355 0.000 0.841 103 E CB 1.629 31.187 29.700 -0.236 0.000 1.109 103 E HN 0.377 nan 8.360 nan 0.000 0.394 104 E N 1.003 120.879 120.200 -0.540 0.000 2.314 104 E HA 0.337 4.728 4.350 0.069 0.000 0.272 104 E C -1.262 175.171 176.600 -0.277 0.000 0.884 104 E CA -0.593 55.531 56.400 -0.460 0.000 0.753 104 E CB 2.386 31.640 29.700 -0.743 0.000 1.213 104 E HN 0.279 nan 8.360 nan 0.000 0.432 105 T N 2.813 117.308 114.554 -0.098 0.000 2.786 105 T HA 0.380 4.771 4.350 0.069 0.000 0.283 105 T C 0.133 174.870 174.700 0.061 0.000 0.992 105 T CA -0.611 61.495 62.100 0.009 0.000 0.954 105 T CB 0.416 69.275 68.868 -0.015 0.000 0.934 105 T HN 0.173 nan 8.240 nan 0.000 0.440 106 I N 4.003 124.652 120.570 0.131 0.000 2.363 106 I HA 0.165 4.376 4.170 0.069 0.000 0.292 106 I C 1.174 177.323 176.117 0.053 0.000 1.075 106 I CA -0.210 61.151 61.300 0.101 0.000 1.333 106 I CB -0.246 37.822 38.000 0.114 0.000 1.415 106 I HN 0.525 nan 8.210 nan 0.000 0.502 107 T N 6.279 120.851 114.554 0.030 0.000 2.907 107 T HA 0.446 4.837 4.350 0.069 0.000 0.298 107 T C 0.167 174.875 174.700 0.013 0.000 1.017 107 T CA -0.200 61.910 62.100 0.017 0.000 1.118 107 T CB 1.216 70.088 68.868 0.006 0.000 0.948 107 T HN 0.299 nan 8.240 nan 0.000 0.531 108 V N 3.857 123.777 119.914 0.011 0.000 2.525 108 V HA 0.362 4.523 4.120 0.069 0.000 0.299 108 V C -0.015 176.082 176.094 0.005 0.000 1.034 108 V CA -1.202 61.103 62.300 0.008 0.000 0.863 108 V CB 1.770 33.599 31.823 0.011 0.000 0.999 108 V HN 0.684 nan 8.190 nan 0.000 0.423 109 K N 4.098 124.500 120.400 0.003 0.000 2.447 109 K HA 0.096 4.457 4.320 0.069 0.000 0.281 109 K C 0.666 177.269 176.600 0.004 0.000 1.031 109 K CA 0.946 57.234 56.287 0.003 0.000 1.019 109 K CB -0.729 31.772 32.500 0.001 0.000 0.918 109 K HN 0.742 nan 8.250 nan 0.000 0.476 110 N N 1.721 120.424 118.700 0.005 0.000 2.727 110 N HA -0.240 4.542 4.740 0.069 0.000 0.249 110 N C -0.262 175.252 175.510 0.007 0.000 1.048 110 N CA 0.575 53.629 53.050 0.005 0.000 0.714 110 N CB -0.841 37.650 38.487 0.006 0.000 0.959 110 N HN 0.756 nan 8.380 nan 0.000 0.544 111 G N -0.593 108.212 108.800 0.007 0.000 2.663 111 G HA2 0.491 4.493 3.960 0.069 0.000 0.299 111 G HA3 0.491 4.493 3.960 0.069 0.000 0.299 111 G C -1.838 173.068 174.900 0.010 0.000 1.372 111 G CA -0.676 44.429 45.100 0.009 0.000 0.781 111 G HN 0.109 nan 8.290 nan 0.000 0.491 112 Q N -0.271 119.537 119.800 0.012 0.000 2.230 112 Q HA 0.647 5.029 4.340 0.069 0.000 0.253 112 Q C 0.287 176.299 176.000 0.020 0.000 0.919 112 Q CA -0.607 55.205 55.803 0.015 0.000 0.908 112 Q CB 1.583 30.331 28.738 0.016 0.000 1.245 112 Q HN 0.859 nan 8.270 nan 0.000 0.437 113 A N 3.437 126.270 122.820 0.021 0.000 2.366 113 A HA 0.282 4.643 4.320 0.069 0.000 0.249 113 A C -0.731 176.879 177.584 0.043 0.000 1.084 113 A CA -0.189 51.865 52.037 0.030 0.000 0.794 113 A CB 0.383 19.398 19.000 0.025 0.000 1.034 113 A HN 0.800 nan 8.150 nan 0.000 0.491 114 E N 0.618 120.858 120.200 0.066 0.000 2.248 114 E HA 0.492 4.883 4.350 0.069 0.000 0.267 114 E C -1.285 175.408 176.600 0.155 0.000 0.877 114 E CA -0.743 55.713 56.400 0.093 0.000 0.759 114 E CB 1.833 31.584 29.700 0.084 0.000 1.182 114 E HN 0.456 nan 8.360 nan 0.000 0.418 115 T N 2.675 117.313 114.554 0.140 0.000 2.859 115 T HA 0.626 5.018 4.350 0.069 0.000 0.281 115 T C -0.742 174.094 174.700 0.227 0.000 1.005 115 T CA -0.563 61.611 62.100 0.125 0.000 1.025 115 T CB 0.236 69.123 68.868 0.031 0.000 0.977 115 T HN 0.447 nan 8.240 nan 0.000 0.458 116 F N -0.850 119.093 119.950 -0.011 0.000 2.745 116 F HA 0.803 5.372 4.527 0.070 0.000 0.316 116 F C -0.805 174.970 175.800 -0.043 0.000 1.155 116 F CA -1.161 56.840 58.000 0.001 0.000 0.937 116 F CB 0.793 39.807 39.000 0.023 0.000 1.361 116 F HN 0.333 nan 8.300 nan 0.000 0.472 117 T N 1.610 116.120 114.554 -0.073 0.000 2.855 117 T HA 0.678 5.069 4.350 0.069 0.000 0.281 117 T C -1.089 173.470 174.700 -0.235 0.000 1.007 117 T CA -0.621 61.276 62.100 -0.338 0.000 1.009 117 T CB 1.828 70.454 68.868 -0.403 0.000 0.983 117 T HN 0.585 nan 8.240 nan 0.000 0.455 118 V N 2.909 122.592 119.914 -0.384 0.000 2.448 118 V HA 0.504 4.665 4.120 0.069 0.000 0.295 118 V C -1.044 174.902 176.094 -0.247 0.000 1.025 118 V CA -1.005 61.226 62.300 -0.115 0.000 0.859 118 V CB 1.145 32.939 31.823 -0.049 0.000 0.988 118 V HN 0.841 nan 8.190 nan 0.000 0.431 119 W N 3.638 124.944 121.300 0.010 0.000 2.578 119 W HA 0.835 5.536 4.660 0.068 0.000 0.346 119 W C 0.208 176.702 176.519 -0.041 0.000 1.075 119 W CA -0.671 56.663 57.345 -0.019 0.000 1.233 119 W CB 1.259 30.714 29.460 -0.009 0.000 1.358 119 W HN 0.399 nan 8.180 nan 0.000 0.574 120 R N 1.032 121.626 120.500 0.157 0.000 2.566 120 R HA 0.479 4.860 4.340 0.069 0.000 0.271 120 R C -0.514 175.750 176.300 -0.061 0.000 1.071 120 R CA -0.339 55.773 56.100 0.019 0.000 0.915 120 R CB 1.593 31.888 30.300 -0.008 0.000 1.228 120 R HN 0.642 nan 8.270 nan 0.000 0.449 121 T N -0.828 113.603 114.554 -0.205 0.000 2.889 121 T HA 0.172 4.563 4.350 0.069 0.000 0.278 121 T C 1.015 175.534 174.700 -0.301 0.000 0.995 121 T CA -0.471 61.393 62.100 -0.394 0.000 0.966 121 T CB 1.263 69.615 68.868 -0.861 0.000 1.237 121 T HN 0.285 nan 8.240 nan 0.000 0.591 122 V N 0.615 120.312 119.914 -0.362 0.000 2.688 122 V HA -0.152 4.009 4.120 0.069 0.000 0.256 122 V C 1.770 177.493 176.094 -0.619 0.000 1.084 122 V CA 1.869 63.883 62.300 -0.477 0.000 1.103 122 V CB -1.346 30.089 31.823 -0.647 0.000 0.688 122 V HN 0.950 nan 8.190 nan 0.000 0.480 123 H N -0.157 118.637 119.070 -0.460 0.000 2.539 123 H HA 0.537 5.135 4.556 0.068 0.000 0.269 123 H C 0.814 175.944 175.328 -0.329 0.000 0.980 123 H CA 0.442 56.166 56.048 -0.540 0.000 1.152 123 H CB 0.266 29.586 29.762 -0.737 0.000 1.407 123 H HN 0.637 nan 8.280 nan 0.000 0.564 124 G N 0.064 108.768 108.800 -0.161 0.000 2.371 124 G HA2 -0.187 3.814 3.960 0.069 0.000 0.663 124 G HA3 -0.187 3.814 3.960 0.069 0.000 0.663 124 G C -1.234 173.629 174.900 -0.062 0.000 1.311 124 G CA -1.087 43.950 45.100 -0.105 0.000 0.985 124 G HN 0.326 nan 8.290 nan 0.000 0.566 125 N N -0.124 118.563 118.700 -0.022 0.000 2.479 125 N HA 0.271 5.052 4.740 0.069 0.000 0.257 125 N C 0.470 176.011 175.510 0.051 0.000 1.232 125 N CA -0.462 52.604 53.050 0.027 0.000 0.920 125 N CB 0.625 39.144 38.487 0.054 0.000 1.105 125 N HN 0.345 nan 8.380 nan 0.000 0.444 126 I N 2.894 123.516 120.570 0.086 0.000 2.533 126 I HA -0.057 4.154 4.170 0.069 0.000 0.284 126 I C 1.391 177.587 176.117 0.133 0.000 1.109 126 I CA 0.431 61.790 61.300 0.098 0.000 1.412 126 I CB 0.725 38.790 38.000 0.107 0.000 1.396 126 I HN 0.621 nan 8.210 nan 0.000 0.543 127 L N 5.170 126.474 121.223 0.136 0.000 2.200 127 L HA 0.026 4.408 4.340 0.069 0.000 0.200 127 L C 0.646 177.600 176.870 0.140 0.000 1.072 127 L CA 0.714 55.635 54.840 0.134 0.000 0.787 127 L CB 0.201 42.340 42.059 0.132 0.000 0.957 127 L HN 0.738 nan 8.230 nan 0.000 0.459 128 Q N -1.219 118.687 119.800 0.177 0.000 2.527 128 Q HA 0.366 4.747 4.340 0.069 0.000 0.280 128 Q C -0.999 175.119 176.000 0.195 0.000 0.977 128 Q CA -0.815 55.092 55.803 0.172 0.000 0.837 128 Q CB 1.761 30.595 28.738 0.160 0.000 1.454 128 Q HN -0.022 nan 8.270 nan 0.000 0.387 129 T N -1.382 113.242 114.554 0.118 0.000 2.861 129 T HA 0.452 4.843 4.350 0.069 0.000 0.287 129 T C -1.186 173.559 174.700 0.075 0.000 1.003 129 T CA -0.620 61.511 62.100 0.052 0.000 0.977 129 T CB 1.708 70.550 68.868 -0.043 0.000 0.996 129 T HN 0.586 nan 8.240 nan 0.000 0.448 130 D N 2.308 122.746 120.400 0.063 0.000 2.472 130 D HA 0.239 4.920 4.640 0.069 0.000 0.234 130 D C 1.104 177.419 176.300 0.024 0.000 1.088 130 D CA -0.509 53.534 54.000 0.072 0.000 0.882 130 D CB 1.561 42.436 40.800 0.126 0.000 1.037 130 D HN 0.721 nan 8.370 nan 0.000 0.520 131 Q N 1.202 121.013 119.800 0.018 0.000 2.297 131 Q HA -0.082 4.299 4.340 0.069 0.000 0.204 131 Q C 1.845 177.852 176.000 0.011 0.000 0.962 131 Q CA 1.298 57.103 55.803 0.003 0.000 0.879 131 Q CB -0.169 28.568 28.738 -0.001 0.000 0.947 131 Q HN 0.528 nan 8.270 nan 0.000 0.462 132 T N -0.905 113.662 114.554 0.023 0.000 2.904 132 T HA -0.108 4.283 4.350 0.069 0.000 0.267 132 T C 1.913 176.628 174.700 0.025 0.000 1.059 132 T CA 1.416 63.531 62.100 0.024 0.000 1.137 132 T CB -0.293 68.594 68.868 0.031 0.000 0.879 132 T HN 0.414 nan 8.240 nan 0.000 0.467 133 T N -1.343 113.228 114.554 0.028 0.000 3.129 133 T HA 0.235 4.626 4.350 0.069 0.000 0.267 133 T C 0.199 174.907 174.700 0.013 0.000 1.018 133 T CA -0.386 61.729 62.100 0.025 0.000 0.903 133 T CB -0.217 68.672 68.868 0.035 0.000 1.067 133 T HN 0.298 nan 8.240 nan 0.000 0.549 134 Q N 1.200 121.005 119.800 0.007 0.000 2.443 134 Q HA -0.120 4.261 4.340 0.069 0.000 0.337 134 Q C -0.847 175.145 176.000 -0.012 0.000 1.401 134 Q CA 1.033 56.840 55.803 0.006 0.000 0.943 134 Q CB -2.495 26.261 28.738 0.031 0.000 1.177 134 Q HN 0.708 nan 8.270 nan 0.000 0.394 135 T N -0.354 114.159 114.554 -0.068 0.000 2.921 135 T HA 0.719 5.110 4.350 0.069 0.000 0.297 135 T C -0.628 173.910 174.700 -0.271 0.000 1.013 135 T CA -0.052 61.936 62.100 -0.187 0.000 0.990 135 T CB 1.934 70.644 68.868 -0.264 0.000 1.023 135 T HN 0.389 nan 8.240 nan 0.000 0.447 136 A N 2.639 125.271 122.820 -0.313 0.000 2.342 136 A HA 0.788 5.149 4.320 0.069 0.000 0.323 136 A C -1.481 175.871 177.584 -0.387 0.000 1.125 136 A CA -0.668 51.214 52.037 -0.258 0.000 0.785 136 A CB 0.625 19.524 19.000 -0.168 0.000 1.221 136 A HN 0.808 nan 8.150 nan 0.000 0.463 137 Y N 1.139 121.437 120.300 -0.003 0.000 2.328 137 Y HA 0.532 5.124 4.550 0.070 0.000 0.337 137 Y C 0.710 176.612 175.900 0.004 0.000 1.008 137 Y CA 0.031 58.133 58.100 0.004 0.000 1.129 137 Y CB 1.732 40.200 38.460 0.014 0.000 1.185 137 Y HN 0.814 nan 8.280 nan 0.000 0.476 138 A N 3.899 126.793 122.820 0.122 0.000 2.337 138 A HA 0.582 4.943 4.320 0.069 0.000 0.329 138 A C -0.712 176.939 177.584 0.113 0.000 1.146 138 A CA -1.067 51.016 52.037 0.076 0.000 0.800 138 A CB 0.878 19.878 19.000 0.000 0.000 1.220 138 A HN 0.730 nan 8.150 nan 0.000 0.472 139 K N 1.710 122.156 120.400 0.076 0.000 2.267 139 K HA 0.368 4.729 4.320 0.069 0.000 0.282 139 K C -0.408 176.199 176.600 0.013 0.000 1.078 139 K CA 0.023 56.347 56.287 0.063 0.000 0.903 139 K CB 0.622 33.154 32.500 0.054 0.000 1.111 139 K HN 0.566 nan 8.250 nan 0.000 0.475 140 S N 4.287 120.010 115.700 0.039 0.000 2.438 140 S HA 0.385 4.896 4.470 0.069 0.000 0.293 140 S C -0.692 173.930 174.600 0.038 0.000 1.141 140 S CA -0.836 57.327 58.200 -0.062 0.000 1.080 140 S CB 0.386 63.477 63.200 -0.180 0.000 0.978 140 S HN 0.602 nan 8.310 nan 0.000 0.479 141 R N 2.869 123.283 120.500 -0.144 0.000 2.407 141 R HA 0.568 4.949 4.340 0.069 0.000 0.303 141 R C 1.029 177.238 176.300 -0.152 0.000 0.981 141 R CA -0.280 55.592 56.100 -0.380 0.000 0.905 141 R CB 1.027 30.486 30.300 -1.401 0.000 1.099 141 R HN 0.667 nan 8.270 nan 0.000 0.459 142 A N 3.486 126.274 122.820 -0.054 0.000 2.119 142 A HA -0.065 4.296 4.320 0.069 0.000 0.217 142 A C 0.956 178.530 177.584 -0.018 0.000 1.153 142 A CA 0.451 52.477 52.037 -0.017 0.000 0.692 142 A CB -0.318 18.518 19.000 -0.273 0.000 0.799 142 A HN 0.947 nan 8.150 nan 0.000 0.458 143 W N -0.597 120.697 121.300 -0.011 0.000 3.290 143 W HA 0.220 4.921 4.660 0.068 0.000 0.287 143 W C -0.586 175.932 176.519 -0.001 0.000 1.288 143 W CA -0.365 56.950 57.345 -0.050 0.000 1.725 143 W CB -0.815 28.594 29.460 -0.085 0.000 1.103 143 W HN 0.202 nan 8.180 nan 0.000 0.670 144 D N 1.814 122.144 120.400 -0.118 0.000 2.520 144 D HA 0.196 4.877 4.640 0.069 0.000 0.243 144 D C 1.512 177.840 176.300 0.047 0.000 1.160 144 D CA 2.369 56.313 54.000 -0.094 0.000 0.877 144 D CB 0.440 41.135 40.800 -0.174 0.000 1.150 144 D HN 0.368 nan 8.370 nan 0.000 0.494 145 G N 3.966 112.822 108.800 0.093 0.000 2.194 145 G HA2 -0.278 3.723 3.960 0.069 0.000 0.236 145 G HA3 -0.278 3.723 3.960 0.069 0.000 0.236 145 G C 0.940 175.885 174.900 0.076 0.000 0.987 145 G CA 0.347 45.486 45.100 0.064 0.000 0.635 145 G HN 0.557 nan 8.290 nan 0.000 0.520 146 K N -0.102 120.375 120.400 0.128 0.000 2.438 146 K HA 0.308 4.669 4.320 0.069 0.000 0.205 146 K C 1.463 178.110 176.600 0.077 0.000 1.033 146 K CA 0.196 56.533 56.287 0.084 0.000 1.089 146 K CB 0.539 33.080 32.500 0.069 0.000 0.857 146 K HN 0.298 nan 8.250 nan 0.000 0.522 147 E N 0.628 120.903 120.200 0.126 0.000 2.077 147 E HA -0.150 4.241 4.350 0.069 0.000 0.193 147 E C 1.721 178.312 176.600 -0.015 0.000 0.989 147 E CA 1.221 57.644 56.400 0.038 0.000 0.800 147 E CB -0.002 29.746 29.700 0.080 0.000 0.746 147 E HN -0.017 nan 8.360 nan 0.000 0.452 148 V N 0.924 120.840 119.914 0.003 0.000 2.453 148 V HA -0.200 3.962 4.120 0.069 0.000 0.247 148 V C 2.227 178.311 176.094 -0.016 0.000 1.048 148 V CA 1.577 63.867 62.300 -0.017 0.000 1.049 148 V CB -0.806 31.011 31.823 -0.010 0.000 0.672 148 V HN 0.341 nan 8.190 nan 0.000 0.457 149 A N 0.003 122.817 122.820 -0.011 0.000 1.978 149 A HA -0.222 4.139 4.320 0.069 0.000 0.220 149 A C 2.478 180.041 177.584 -0.035 0.000 1.170 149 A CA 2.321 54.346 52.037 -0.021 0.000 0.636 149 A CB -0.642 18.337 19.000 -0.034 0.000 0.810 149 A HN 0.523 nan 8.150 nan 0.000 0.448 150 S N -0.523 115.152 115.700 -0.041 0.000 2.368 150 S HA -0.116 4.395 4.470 0.069 0.000 0.224 150 S C 1.893 176.555 174.600 0.103 0.000 1.029 150 S CA 1.245 59.426 58.200 -0.031 0.000 0.988 150 S CB -0.500 62.662 63.200 -0.063 0.000 0.838 150 S HN 0.593 nan 8.310 nan 0.000 0.462 151 L N 1.374 122.622 121.223 0.042 0.000 2.012 151 L HA -0.092 4.289 4.340 0.069 0.000 0.210 151 L C 2.050 178.939 176.870 0.032 0.000 1.073 151 L CA 1.431 56.281 54.840 0.015 0.000 0.748 151 L CB -0.278 41.723 42.059 -0.097 0.000 0.891 151 L HN 0.290 nan 8.230 nan 0.000 0.431 152 L N -0.295 120.916 121.223 -0.019 0.000 2.093 152 L HA -0.167 4.214 4.340 0.069 0.000 0.208 152 L C 2.815 179.658 176.870 -0.045 0.000 1.085 152 L CA 1.011 55.797 54.840 -0.090 0.000 0.755 152 L CB -0.738 41.307 42.059 -0.022 0.000 0.904 152 L HN 0.370 nan 8.230 nan 0.000 0.435 153 A N -0.962 121.884 122.820 0.043 0.000 1.930 153 A HA -0.229 4.132 4.320 0.069 0.000 0.217 153 A C 2.072 179.751 177.584 0.159 0.000 1.175 153 A CA 0.968 53.037 52.037 0.054 0.000 0.627 153 A CB -0.756 18.185 19.000 -0.098 0.000 0.815 153 A HN 0.562 nan 8.150 nan 0.000 0.443 154 W N 0.890 122.230 121.300 0.067 0.000 2.595 154 W HA -0.022 4.679 4.660 0.069 0.000 0.257 154 W C 1.561 177.977 176.519 -0.171 0.000 1.267 154 W CA 1.676 59.024 57.345 0.004 0.000 1.300 154 W CB -0.429 29.032 29.460 0.001 0.000 1.120 154 W HN 0.394 nan 8.180 nan 0.000 0.618 155 T N -2.063 112.528 114.554 0.062 0.000 2.953 155 T HA -0.065 4.326 4.350 0.069 0.000 0.247 155 T C 1.460 176.166 174.700 0.010 0.000 1.029 155 T CA 0.841 62.910 62.100 -0.052 0.000 1.144 155 T CB -0.335 68.423 68.868 -0.183 0.000 0.870 155 T HN -0.025 nan 8.240 nan 0.000 0.446 156 H N 2.260 121.381 119.070 0.084 0.000 2.423 156 H HA -0.059 4.539 4.556 0.069 0.000 0.297 156 H C 2.494 177.803 175.328 -0.031 0.000 1.075 156 H CA 1.551 57.628 56.048 0.049 0.000 1.342 156 H CB -0.262 29.497 29.762 -0.004 0.000 1.395 156 H HN 0.560 nan 8.280 nan 0.000 0.530 157 Q N 0.203 120.008 119.800 0.008 0.000 2.297 157 Q HA -0.109 4.272 4.340 0.069 0.000 0.208 157 Q C 1.902 177.761 176.000 -0.235 0.000 0.981 157 Q CA 1.370 57.102 55.803 -0.119 0.000 0.876 157 Q CB -0.452 28.067 28.738 -0.365 0.000 0.921 157 Q HN 0.351 nan 8.270 nan 0.000 0.446 158 M N 0.082 119.472 119.600 -0.350 0.000 2.557 158 M HA -0.020 4.502 4.480 0.069 0.000 0.259 158 M C 1.139 177.443 176.300 0.008 0.000 1.086 158 M CA 1.197 56.202 55.300 -0.492 0.000 1.096 158 M CB 0.039 32.574 32.600 -0.108 0.000 1.424 158 M HN 0.179 nan 8.290 nan 0.000 0.488 159 K N 0.324 120.742 120.400 0.030 0.000 2.404 159 K HA 0.262 4.623 4.320 0.069 0.000 0.194 159 K C 0.493 177.149 176.600 0.094 0.000 1.023 159 K CA -0.318 55.982 56.287 0.022 0.000 1.094 159 K CB 0.293 32.721 32.500 -0.120 0.000 0.841 159 K HN 0.170 nan 8.250 nan 0.000 0.523 160 A N 1.245 124.162 122.820 0.163 0.000 2.445 160 A HA 0.113 4.474 4.320 0.069 0.000 0.242 160 A C 0.522 178.262 177.584 0.260 0.000 1.075 160 A CA 0.227 52.402 52.037 0.231 0.000 0.777 160 A CB 0.401 19.635 19.000 0.390 0.000 1.013 160 A HN 0.003 nan 8.150 nan 0.000 0.493 161 K N 0.137 120.673 120.400 0.227 0.000 2.447 161 K HA 0.174 4.535 4.320 0.069 0.000 0.205 161 K C -0.647 176.109 176.600 0.259 0.000 1.059 161 K CA 0.372 56.791 56.287 0.220 0.000 1.065 161 K CB 0.232 32.828 32.500 0.159 0.000 0.885 161 K HN 0.942 nan 8.250 nan 0.000 0.545 162 N N -3.200 115.695 118.700 0.325 0.000 3.046 162 N HA 0.025 4.806 4.740 0.069 0.000 0.243 162 N C 0.175 175.917 175.510 0.387 0.000 1.452 162 N CA -0.953 52.321 53.050 0.374 0.000 0.882 162 N CB -0.172 38.456 38.487 0.236 0.000 1.425 162 N HN -0.059 nan 8.380 nan 0.000 0.517 163 W N 0.464 121.738 121.300 -0.045 0.000 2.321 163 W HA -0.225 4.475 4.660 0.067 0.000 0.306 163 W C 0.591 177.053 176.519 -0.095 0.000 1.217 163 W CA 1.962 59.057 57.345 -0.416 0.000 1.257 163 W CB -0.008 28.945 29.460 -0.846 0.000 1.145 163 W HN 0.572 nan 8.180 nan 0.000 0.509 164 Q N 0.449 120.188 119.800 -0.102 0.000 2.119 164 Q HA -0.163 4.218 4.340 0.069 0.000 0.201 164 Q C 1.971 177.900 176.000 -0.117 0.000 0.972 164 Q CA 1.720 57.418 55.803 -0.175 0.000 0.847 164 Q CB -0.582 28.126 28.738 -0.050 0.000 0.903 164 Q HN 0.570 nan 8.270 nan 0.000 0.433 165 E N -0.808 119.398 120.200 0.010 0.000 2.107 165 E HA -0.166 4.225 4.350 0.069 0.000 0.191 165 E C 1.650 178.285 176.600 0.058 0.000 0.982 165 E CA 0.497 56.913 56.400 0.027 0.000 0.809 165 E CB -0.152 29.602 29.700 0.090 0.000 0.756 165 E HN 0.335 nan 8.360 nan 0.000 0.459 166 W N 1.816 123.074 121.300 -0.070 0.000 2.381 166 W HA -0.171 4.529 4.660 0.067 0.000 0.301 166 W C 2.527 178.943 176.519 -0.172 0.000 1.205 166 W CA 2.455 59.783 57.345 -0.029 0.000 1.285 166 W CB -0.254 29.319 29.460 0.188 0.000 1.133 166 W HN 0.027 nan 8.180 nan 0.000 0.521 167 T N -1.854 112.517 114.554 -0.306 0.000 2.915 167 T HA -0.207 4.184 4.350 0.069 0.000 0.269 167 T C 1.621 175.973 174.700 -0.579 0.000 1.071 167 T CA 1.476 63.252 62.100 -0.540 0.000 1.132 167 T CB -0.537 67.955 68.868 -0.627 0.000 0.878 167 T HN 0.319 nan 8.240 nan 0.000 0.479 168 Q N 0.205 119.756 119.800 -0.416 0.000 2.135 168 Q HA -0.141 4.240 4.340 0.069 0.000 0.204 168 Q C 2.593 178.327 176.000 -0.443 0.000 0.981 168 Q CA 1.438 56.996 55.803 -0.408 0.000 0.856 168 Q CB -0.052 28.535 28.738 -0.251 0.000 0.902 168 Q HN 0.534 nan 8.270 nan 0.000 0.425 169 Q N -0.947 118.623 119.800 -0.384 0.000 2.163 169 Q HA 0.018 4.399 4.340 0.069 0.000 0.198 169 Q C 2.028 177.697 176.000 -0.552 0.000 0.954 169 Q CA 1.035 56.630 55.803 -0.347 0.000 0.851 169 Q CB -0.236 28.396 28.738 -0.178 0.000 0.928 169 Q HN 0.362 nan 8.270 nan 0.000 0.459 170 A N 1.625 124.003 122.820 -0.737 0.000 1.917 170 A HA -0.184 4.177 4.320 0.069 0.000 0.219 170 A C 2.313 179.325 177.584 -0.953 0.000 1.182 170 A CA 2.100 53.471 52.037 -1.110 0.000 0.633 170 A CB -0.738 17.761 19.000 -0.836 0.000 0.819 170 A HN 0.360 nan 8.150 nan 0.000 0.448 171 A N -0.743 121.427 122.820 -1.083 0.000 2.076 171 A HA -0.134 4.227 4.320 0.069 0.000 0.220 171 A C 1.956 179.159 177.584 -0.635 0.000 1.160 171 A CA 1.761 53.080 52.037 -1.197 0.000 0.653 171 A CB -0.324 17.777 19.000 -1.499 0.000 0.801 171 A HN 0.595 nan 8.150 nan 0.000 0.455 172 K N -0.844 119.233 120.400 -0.539 0.000 2.358 172 K HA 0.089 4.450 4.320 0.069 0.000 0.197 172 K C 0.569 176.948 176.600 -0.369 0.000 1.025 172 K CA -0.167 55.903 56.287 -0.363 0.000 1.104 172 K CB 0.361 32.700 32.500 -0.268 0.000 0.855 172 K HN 0.264 nan 8.250 nan 0.000 0.531 173 Q N 0.998 120.460 119.800 -0.562 0.000 2.337 173 Q HA 0.195 4.576 4.340 0.069 0.000 0.255 173 Q C 0.088 175.791 176.000 -0.495 0.000 0.997 173 Q CA -0.024 55.410 55.803 -0.616 0.000 0.925 173 Q CB 1.438 29.465 28.738 -1.184 0.000 1.212 173 Q HN 0.244 nan 8.270 nan 0.000 0.436 174 A N 5.475 128.106 122.820 -0.315 0.000 2.238 174 A HA 0.200 4.561 4.320 0.069 0.000 0.210 174 A C 0.771 178.209 177.584 -0.243 0.000 1.179 174 A CA -0.036 51.864 52.037 -0.228 0.000 0.827 174 A CB 0.237 19.198 19.000 -0.065 0.000 0.856 174 A HN 0.671 nan 8.150 nan 0.000 0.488 175 L N -0.988 120.027 121.223 -0.348 0.000 2.475 175 L HA 0.200 4.581 4.340 0.069 0.000 0.253 175 L C 0.952 177.659 176.870 -0.272 0.000 1.198 175 L CA -0.266 54.326 54.840 -0.413 0.000 0.814 175 L CB 0.273 42.099 42.059 -0.389 0.000 1.134 175 L HN 0.071 nan 8.230 nan 0.000 0.478 176 T N 3.076 117.539 114.554 -0.151 0.000 2.992 176 T HA 0.419 4.810 4.350 0.069 0.000 0.299 176 T C -0.414 174.244 174.700 -0.071 0.000 1.027 176 T CA -0.355 61.718 62.100 -0.045 0.000 1.001 176 T CB -0.885 68.088 68.868 0.175 0.000 1.005 176 T HN 0.211 nan 8.240 nan 0.000 0.599 177 I N 4.160 124.628 120.570 -0.170 0.000 2.619 177 I HA 0.377 4.588 4.170 0.069 0.000 0.292 177 I C -0.324 175.799 176.117 0.010 0.000 1.100 177 I CA -1.115 60.192 61.300 0.012 0.000 1.043 177 I CB 2.129 40.168 38.000 0.066 0.000 1.239 177 I HN 0.431 nan 8.210 nan 0.000 0.420 178 N N 4.617 123.490 118.700 0.288 0.000 2.430 178 N HA 0.190 4.971 4.740 0.069 0.000 0.265 178 N C -1.008 174.731 175.510 0.381 0.000 1.100 178 N CA -0.062 53.187 53.050 0.332 0.000 0.961 178 N CB 1.081 39.939 38.487 0.620 0.000 1.075 178 N HN 0.371 nan 8.380 nan 0.000 0.478 179 W N 2.311 123.559 121.300 -0.087 0.000 2.627 179 W HA 0.420 5.120 4.660 0.067 0.000 0.339 179 W C -0.519 176.115 176.519 0.191 0.000 1.058 179 W CA -0.555 56.886 57.345 0.160 0.000 1.223 179 W CB 0.477 29.991 29.460 0.090 0.000 1.389 179 W HN 0.341 nan 8.180 nan 0.000 0.541 180 Y N 1.747 122.593 120.300 0.910 0.000 2.512 180 Y HA 0.422 5.013 4.550 0.068 0.000 0.348 180 Y C -0.931 175.201 175.900 0.385 0.000 0.990 180 Y CA -1.513 56.988 58.100 0.669 0.000 1.033 180 Y CB 1.890 40.621 38.460 0.452 0.000 1.259 180 Y HN 0.300 nan 8.280 nan 0.000 0.461 181 Y N 1.463 121.838 120.300 0.126 0.000 2.462 181 Y HA 0.871 5.462 4.550 0.068 0.000 0.346 181 Y C -1.281 174.572 175.900 -0.079 0.000 0.976 181 Y CA -1.067 56.861 58.100 -0.287 0.000 1.044 181 Y CB 1.515 39.620 38.460 -0.592 0.000 1.230 181 Y HN 0.775 nan 8.280 nan 0.000 0.455 182 A N 4.355 126.801 122.820 -0.623 0.000 2.539 182 A HA 0.724 5.085 4.320 0.069 0.000 0.296 182 A C -1.857 174.938 177.584 -1.315 0.000 1.073 182 A CA -0.407 51.250 52.037 -0.633 0.000 0.700 182 A CB 1.499 20.286 19.000 -0.354 0.000 1.296 182 A HN 0.805 nan 8.150 nan 0.000 0.405 183 D N -0.926 118.744 120.400 -1.217 0.000 2.579 183 D HA 0.382 5.063 4.640 0.069 0.000 0.257 183 D C 0.845 176.670 176.300 -0.792 0.000 1.176 183 D CA 0.133 53.502 54.000 -1.051 0.000 0.914 183 D CB 0.592 41.192 40.800 -0.333 0.000 1.431 183 D HN 0.923 nan 8.370 nan 0.000 0.454 184 V N -1.181 118.614 119.914 -0.199 0.000 2.546 184 V HA -0.167 3.994 4.120 0.069 0.000 0.254 184 V C 1.069 177.190 176.094 0.045 0.000 1.076 184 V CA 1.627 63.999 62.300 0.121 0.000 1.087 184 V CB -0.984 30.936 31.823 0.162 0.000 0.674 184 V HN 0.499 nan 8.190 nan 0.000 0.470 185 N N 0.956 119.654 118.700 -0.003 0.000 2.467 185 N HA 0.211 4.992 4.740 0.069 0.000 0.184 185 N C 1.545 177.047 175.510 -0.013 0.000 1.106 185 N CA 1.131 54.191 53.050 0.016 0.000 0.892 185 N CB 0.700 39.212 38.487 0.041 0.000 0.969 185 N HN 0.833 nan 8.380 nan 0.000 0.454 186 G N 0.165 108.926 108.800 -0.065 0.000 2.144 186 G HA2 -0.229 3.772 3.960 0.069 0.000 0.218 186 G HA3 -0.229 3.772 3.960 0.069 0.000 0.218 186 G C -0.225 174.614 174.900 -0.102 0.000 0.988 186 G CA -0.519 44.541 45.100 -0.066 0.000 0.659 186 G HN 0.237 nan 8.290 nan 0.000 0.522 187 N N 0.624 119.265 118.700 -0.097 0.000 2.525 187 N HA 0.638 5.419 4.740 0.069 0.000 0.271 187 N C 0.601 176.074 175.510 -0.062 0.000 1.194 187 N CA 0.705 53.671 53.050 -0.140 0.000 0.964 187 N CB 1.407 39.898 38.487 0.008 0.000 1.126 187 N HN 0.818 nan 8.380 nan 0.000 0.452 188 I N -3.144 117.340 120.570 -0.143 0.000 2.969 188 I HA 0.904 5.115 4.170 0.069 0.000 0.307 188 I C -0.002 176.118 176.117 0.005 0.000 1.149 188 I CA -1.006 60.317 61.300 0.038 0.000 1.008 188 I CB 2.454 40.467 38.000 0.022 0.000 1.232 188 I HN 0.454 nan 8.210 nan 0.000 0.435 189 G N 1.863 110.807 108.800 0.240 0.000 2.646 189 G HA2 0.578 4.579 3.960 0.069 0.000 0.291 189 G HA3 0.578 4.579 3.960 0.069 0.000 0.291 189 G C -2.618 172.629 174.900 0.579 0.000 1.445 189 G CA -0.582 44.633 45.100 0.190 0.000 0.814 189 G HN 0.897 nan 8.290 nan 0.000 0.495 190 Y N -0.167 120.402 120.300 0.449 0.000 2.513 190 Y HA 0.707 5.298 4.550 0.068 0.000 0.340 190 Y C -1.650 174.500 175.900 0.418 0.000 1.055 190 Y CA -1.204 57.124 58.100 0.379 0.000 1.020 190 Y CB 2.144 40.733 38.460 0.217 0.000 1.301 190 Y HN 0.650 nan 8.280 nan 0.000 0.453 191 V N 4.960 124.758 119.914 -0.195 0.000 2.668 191 V HA 0.182 4.343 4.120 0.069 0.000 0.304 191 V C -1.147 174.560 176.094 -0.645 0.000 1.071 191 V CA -0.876 61.188 62.300 -0.394 0.000 0.894 191 V CB 1.558 33.323 31.823 -0.096 0.000 1.008 191 V HN 0.845 nan 8.190 nan 0.000 0.425 192 H N 3.573 122.139 119.070 -0.840 0.000 3.092 192 H HA 0.390 4.986 4.556 0.067 0.000 0.263 192 H C 0.798 175.962 175.328 -0.272 0.000 1.611 192 H CA 0.316 56.082 56.048 -0.470 0.000 1.457 192 H CB 0.091 29.569 29.762 -0.474 0.000 1.731 192 H HN 0.863 nan 8.280 nan 0.000 0.532 193 T N 1.089 115.384 114.554 -0.431 0.000 2.726 193 T HA 0.610 5.001 4.350 0.069 0.000 0.294 193 T C 0.715 175.241 174.700 -0.289 0.000 1.013 193 T CA 0.019 61.867 62.100 -0.420 0.000 0.996 193 T CB 1.191 69.542 68.868 -0.862 0.000 1.016 193 T HN 0.919 nan 8.240 nan 0.000 0.529 194 G N -0.865 107.780 108.800 -0.257 0.000 2.355 194 G HA2 0.501 4.502 3.960 0.069 0.000 0.619 194 G HA3 0.501 4.502 3.960 0.069 0.000 0.619 194 G C -0.767 173.882 174.900 -0.419 0.000 1.337 194 G CA -0.456 44.439 45.100 -0.341 0.000 0.993 194 G HN 1.386 nan 8.290 nan 0.000 0.599 195 A N -0.011 122.466 122.820 -0.572 0.000 2.274 195 A HA 0.844 5.205 4.320 0.069 0.000 0.309 195 A C -1.035 176.001 177.584 -0.915 0.000 1.226 195 A CA -0.354 51.403 52.037 -0.467 0.000 0.853 195 A CB 0.526 19.405 19.000 -0.202 0.000 1.146 195 A HN 1.226 nan 8.150 nan 0.000 0.518 196 Y N 2.787 123.049 120.300 -0.063 0.000 2.391 196 Y HA 0.493 5.083 4.550 0.067 0.000 0.341 196 Y C -2.230 173.504 175.900 -0.277 0.000 0.965 196 Y CA -2.649 55.376 58.100 -0.126 0.000 1.067 196 Y CB 2.002 40.453 38.460 -0.016 0.000 1.199 196 Y HN 0.506 nan 8.280 nan 0.000 0.450 197 P HA 0.021 nan 4.420 nan 0.000 0.275 197 P C -0.648 176.413 177.300 -0.397 0.000 1.228 197 P CA -0.187 62.449 63.100 -0.772 0.000 0.786 197 P CB 1.221 31.678 31.700 -2.071 0.000 0.927 198 D N 2.684 122.948 120.400 -0.226 0.000 2.411 198 D HA 0.133 4.815 4.640 0.069 0.000 0.225 198 D C -0.080 176.222 176.300 0.004 0.000 1.156 198 D CA -0.250 53.710 54.000 -0.067 0.000 0.874 198 D CB 0.080 40.881 40.800 0.002 0.000 1.034 198 D HN 0.155 nan 8.370 nan 0.000 0.502 199 R N 2.354 122.851 120.500 -0.004 0.000 2.528 199 R HA 0.270 4.651 4.340 0.069 0.000 0.271 199 R C 0.583 177.031 176.300 0.247 0.000 1.056 199 R CA -0.846 55.366 56.100 0.187 0.000 1.117 199 R CB 0.810 31.097 30.300 -0.022 0.000 1.085 199 R HN 0.405 nan 8.270 nan 0.000 0.530 200 Q N 0.702 120.732 119.800 0.383 0.000 2.432 200 Q HA -0.007 4.374 4.340 0.069 0.000 0.264 200 Q C 0.030 176.199 176.000 0.281 0.000 1.035 200 Q CA 0.269 56.218 55.803 0.244 0.000 0.908 200 Q CB 0.992 29.815 28.738 0.141 0.000 1.280 200 Q HN 0.546 nan 8.270 nan 0.000 0.455 201 S N -0.045 115.755 115.700 0.166 0.000 2.525 201 S HA 0.304 4.815 4.470 0.069 0.000 0.285 201 S C 1.018 175.804 174.600 0.311 0.000 1.283 201 S CA 0.910 59.219 58.200 0.181 0.000 1.072 201 S CB -0.203 63.054 63.200 0.095 0.000 0.867 201 S HN 0.798 nan 8.310 nan 0.000 0.492 202 G N 3.270 112.257 108.800 0.313 0.000 2.213 202 G HA2 -0.212 3.789 3.960 0.069 0.000 0.226 202 G HA3 -0.212 3.789 3.960 0.069 0.000 0.226 202 G C 0.060 175.172 174.900 0.354 0.000 0.992 202 G CA 0.197 45.517 45.100 0.366 0.000 0.632 202 G HN 1.014 nan 8.290 nan 0.000 0.511 203 H N 2.152 121.421 119.070 0.332 0.000 3.015 203 H HA 0.494 5.091 4.556 0.068 0.000 0.268 203 H C -0.641 174.721 175.328 0.058 0.000 1.113 203 H CA -0.428 55.721 56.048 0.167 0.000 1.479 203 H CB 0.510 30.473 29.762 0.336 0.000 1.493 203 H HN 0.191 nan 8.280 nan 0.000 0.486 204 D N 7.096 127.639 120.400 0.239 0.000 2.336 204 D HA 0.060 4.741 4.640 0.069 0.000 0.249 204 D C -1.704 174.703 176.300 0.178 0.000 1.213 204 D CA -1.793 52.281 54.000 0.124 0.000 0.870 204 D CB 1.533 42.356 40.800 0.039 0.000 1.076 204 D HN 0.389 nan 8.370 nan 0.000 0.483 205 P HA 0.007 nan 4.420 nan 0.000 0.237 205 P C 0.731 178.064 177.300 0.054 0.000 1.178 205 P CA 0.362 63.472 63.100 0.017 0.000 0.766 205 P CB 0.354 32.000 31.700 -0.089 0.000 0.876 206 R N -1.017 119.512 120.500 0.047 0.000 2.297 206 R HA 0.269 4.650 4.340 0.069 0.000 0.197 206 R C 0.753 177.080 176.300 0.043 0.000 0.943 206 R CA 0.281 56.408 56.100 0.046 0.000 1.038 206 R CB -0.065 30.262 30.300 0.046 0.000 0.957 206 R HN 0.234 nan 8.270 nan 0.000 0.484 207 L N -0.057 121.184 121.223 0.031 0.000 2.327 207 L HA 0.494 4.876 4.340 0.069 0.000 0.258 207 L C -2.437 174.397 176.870 -0.060 0.000 1.024 207 L CA -2.719 52.114 54.840 -0.011 0.000 0.825 207 L CB 1.789 43.829 42.059 -0.031 0.000 1.386 207 L HN -0.261 nan 8.230 nan 0.000 0.417 208 P HA 0.169 nan 4.420 nan 0.000 0.269 208 P C -1.190 175.933 177.300 -0.295 0.000 1.215 208 P CA -0.296 62.718 63.100 -0.143 0.000 0.780 208 P CB 0.636 32.332 31.700 -0.008 0.000 0.898 209 V N -0.362 119.257 119.914 -0.491 0.000 2.769 209 V HA 0.576 4.738 4.120 0.069 0.000 0.312 209 V C -2.565 173.324 176.094 -0.343 0.000 1.058 209 V CA -3.224 58.711 62.300 -0.608 0.000 0.952 209 V CB 1.203 32.476 31.823 -0.916 0.000 1.019 209 V HN 0.335 nan 8.190 nan 0.000 0.445 210 P HA 0.208 nan 4.420 nan 0.000 0.266 210 P C 0.754 178.164 177.300 0.184 0.000 1.195 210 P CA 0.422 63.528 63.100 0.009 0.000 0.768 210 P CB 0.640 32.394 31.700 0.090 0.000 0.838 211 G N 0.619 109.529 108.800 0.182 0.000 3.337 211 G HA2 -0.020 3.981 3.960 0.069 0.000 0.246 211 G HA3 -0.020 3.981 3.960 0.069 0.000 0.246 211 G C 0.940 176.074 174.900 0.391 0.000 1.131 211 G CA 0.104 45.337 45.100 0.221 0.000 0.773 211 G HN 0.529 nan 8.290 nan 0.000 0.544 212 T N -3.224 111.494 114.554 0.274 0.000 3.072 212 T HA 0.354 4.746 4.350 0.069 0.000 0.266 212 T C 1.817 176.581 174.700 0.107 0.000 1.127 212 T CA 1.369 63.578 62.100 0.181 0.000 1.107 212 T CB 0.231 69.138 68.868 0.066 0.000 0.910 212 T HN 0.923 nan 8.240 nan 0.000 0.513 213 G N 2.138 111.043 108.800 0.176 0.000 3.134 213 G HA2 -0.211 3.790 3.960 0.069 0.000 0.195 213 G HA3 -0.211 3.790 3.960 0.069 0.000 0.195 213 G C 1.022 175.932 174.900 0.018 0.000 1.054 213 G CA 0.153 45.256 45.100 0.005 0.000 0.828 213 G HN 0.515 nan 8.290 nan 0.000 0.462 214 K N 0.316 120.695 120.400 -0.035 0.000 2.365 214 K HA 0.031 4.393 4.320 0.069 0.000 0.199 214 K C 1.426 177.775 176.600 -0.418 0.000 1.045 214 K CA 0.969 57.107 56.287 -0.247 0.000 0.962 214 K CB -0.199 32.085 32.500 -0.361 0.000 0.759 214 K HN 0.554 nan 8.250 nan 0.000 0.469 215 W N 2.387 123.761 121.300 0.123 0.000 3.239 215 W HA 0.203 4.905 4.660 0.069 0.000 0.368 215 W C -0.537 176.175 176.519 0.321 0.000 1.154 215 W CA -0.942 56.488 57.345 0.141 0.000 1.860 215 W CB 0.314 29.767 29.460 -0.012 0.000 1.094 215 W HN -0.106 nan 8.180 nan 0.000 0.643 216 D N 0.051 120.714 120.400 0.438 0.000 2.423 216 D HA -0.081 4.600 4.640 0.069 0.000 0.238 216 D C 0.397 176.992 176.300 0.492 0.000 1.142 216 D CA 0.275 54.514 54.000 0.398 0.000 0.884 216 D CB 0.517 41.475 40.800 0.263 0.000 1.199 216 D HN -0.203 nan 8.370 nan 0.000 0.438 217 W N 1.551 123.091 121.300 0.400 0.000 2.231 217 W HA 0.017 4.717 4.660 0.067 0.000 0.341 217 W C 1.504 178.126 176.519 0.171 0.000 1.298 217 W CA -0.407 57.112 57.345 0.290 0.000 1.266 217 W CB -0.121 29.495 29.460 0.261 0.000 1.172 217 W HN 0.440 nan 8.180 nan 0.000 0.568 218 K N 1.496 122.101 120.400 0.341 0.000 2.365 218 K HA 0.174 4.536 4.320 0.069 0.000 0.199 218 K C 1.176 177.876 176.600 0.166 0.000 1.045 218 K CA 0.934 57.338 56.287 0.195 0.000 0.962 218 K CB 0.190 32.767 32.500 0.128 0.000 0.759 218 K HN 0.648 nan 8.250 nan 0.000 0.469 219 G N 0.108 109.022 108.800 0.190 0.000 2.403 219 G HA2 0.086 4.088 3.960 0.069 0.000 0.223 219 G HA3 0.086 4.088 3.960 0.069 0.000 0.223 219 G C -1.820 173.116 174.900 0.060 0.000 1.287 219 G CA -1.021 44.158 45.100 0.132 0.000 0.982 219 G HN -0.029 nan 8.290 nan 0.000 0.471 220 L N 0.668 121.901 121.223 0.016 0.000 2.330 220 L HA 0.632 5.013 4.340 0.069 0.000 0.271 220 L C 0.323 177.184 176.870 -0.015 0.000 1.013 220 L CA -0.915 53.900 54.840 -0.042 0.000 0.816 220 L CB 1.747 43.785 42.059 -0.035 0.000 1.287 220 L HN 0.441 nan 8.230 nan 0.000 0.435 221 L N 2.582 123.799 121.223 -0.009 0.000 2.453 221 L HA 0.304 4.685 4.340 0.069 0.000 0.261 221 L C -1.862 175.035 176.870 0.045 0.000 1.179 221 L CA -1.551 53.306 54.840 0.028 0.000 0.813 221 L CB 0.347 42.441 42.059 0.059 0.000 1.110 221 L HN 0.389 nan 8.230 nan 0.000 0.466 222 P HA 0.021 nan 4.420 nan 0.000 0.276 222 P C 0.378 177.735 177.300 0.095 0.000 1.252 222 P CA -0.420 62.718 63.100 0.064 0.000 0.802 222 P CB 0.580 32.308 31.700 0.047 0.000 1.035 223 F N 0.820 120.740 119.950 -0.050 0.000 2.202 223 F HA -0.155 4.413 4.527 0.068 0.000 0.301 223 F C 2.129 177.897 175.800 -0.053 0.000 1.082 223 F CA 1.588 59.545 58.000 -0.072 0.000 1.313 223 F CB -0.269 38.657 39.000 -0.122 0.000 1.024 223 F HN 0.359 nan 8.300 nan 0.000 0.495 224 E N -0.143 120.020 120.200 -0.062 0.000 2.130 224 E HA -0.233 4.159 4.350 0.069 0.000 0.196 224 E C 2.121 178.629 176.600 -0.154 0.000 0.998 224 E CA 1.433 57.761 56.400 -0.120 0.000 0.806 224 E CB -0.120 29.565 29.700 -0.024 0.000 0.738 224 E HN 0.382 nan 8.360 nan 0.000 0.459 225 M N 0.452 119.994 119.600 -0.095 0.000 2.394 225 M HA -0.061 4.460 4.480 0.069 0.000 0.264 225 M C 0.353 176.578 176.300 -0.125 0.000 1.073 225 M CA 0.431 55.688 55.300 -0.071 0.000 1.111 225 M CB -1.067 31.535 32.600 0.004 0.000 1.401 225 M HN -0.118 nan 8.290 nan 0.000 0.448 226 N N 1.831 120.397 118.700 -0.223 0.000 2.411 226 N HA 0.054 4.836 4.740 0.069 0.000 0.261 226 N C -2.465 172.848 175.510 -0.328 0.000 1.248 226 N CA -0.526 52.367 53.050 -0.262 0.000 0.885 226 N CB 0.009 38.253 38.487 -0.405 0.000 1.062 226 N HN -0.006 nan 8.380 nan 0.000 0.471 227 P HA -0.007 nan 4.420 nan 0.000 0.262 227 P C -0.766 176.340 177.300 -0.323 0.000 1.182 227 P CA 0.459 63.360 63.100 -0.332 0.000 0.761 227 P CB 0.339 31.736 31.700 -0.505 0.000 0.795 228 K N 0.765 121.057 120.400 -0.180 0.000 2.587 228 K HA 0.771 5.132 4.320 0.069 0.000 0.276 228 K C -2.033 174.619 176.600 0.087 0.000 0.956 228 K CA -1.097 55.141 56.287 -0.082 0.000 0.857 228 K CB 1.808 34.286 32.500 -0.037 0.000 1.431 228 K HN 0.178 nan 8.250 nan 0.000 0.420 229 V N 1.913 121.947 119.914 0.199 0.000 2.932 229 V HA 0.570 4.732 4.120 0.069 0.000 0.307 229 V C -2.241 173.879 176.094 0.044 0.000 1.147 229 V CA -0.549 61.832 62.300 0.136 0.000 0.951 229 V CB 2.077 33.971 31.823 0.118 0.000 1.031 229 V HN 0.803 nan 8.190 nan 0.000 0.426 230 Y N 6.007 126.136 120.300 -0.286 0.000 2.338 230 Y HA 0.520 5.111 4.550 0.068 0.000 0.333 230 Y C 0.355 176.047 175.900 -0.346 0.000 0.968 230 Y CA -0.962 56.764 58.100 -0.623 0.000 1.123 230 Y CB 1.325 39.143 38.460 -1.070 0.000 1.165 230 Y HN 0.835 nan 8.280 nan 0.000 0.452 231 N N 5.095 123.398 118.700 -0.661 0.000 2.671 231 N HA -0.142 4.639 4.740 0.069 0.000 0.261 231 N C -2.744 172.615 175.510 -0.251 0.000 1.053 231 N CA 0.766 53.524 53.050 -0.487 0.000 0.732 231 N CB -0.905 37.219 38.487 -0.605 0.000 0.887 231 N HN 0.504 nan 8.380 nan 0.000 0.546 232 P HA -0.031 nan 4.420 nan 0.000 0.267 232 P C 0.830 178.057 177.300 -0.122 0.000 1.200 232 P CA 0.129 63.153 63.100 -0.127 0.000 0.772 232 P CB 0.738 32.359 31.700 -0.131 0.000 0.855 233 Q N 1.089 120.829 119.800 -0.100 0.000 2.181 233 Q HA -0.156 4.225 4.340 0.069 0.000 0.205 233 Q C 2.104 178.056 176.000 -0.080 0.000 0.980 233 Q CA 2.151 57.906 55.803 -0.079 0.000 0.862 233 Q CB -0.372 28.328 28.738 -0.063 0.000 0.905 233 Q HN 0.642 nan 8.270 nan 0.000 0.429 234 S N -1.272 114.351 115.700 -0.129 0.000 2.447 234 S HA 0.020 4.531 4.470 0.069 0.000 0.233 234 S C 1.631 176.206 174.600 -0.042 0.000 1.006 234 S CA 0.688 58.806 58.200 -0.138 0.000 0.957 234 S CB 0.034 62.989 63.200 -0.409 0.000 0.773 234 S HN 0.557 nan 8.310 nan 0.000 0.507 235 G N 0.196 108.964 108.800 -0.055 0.000 2.175 235 G HA2 -0.213 3.788 3.960 0.069 0.000 0.244 235 G HA3 -0.213 3.788 3.960 0.069 0.000 0.244 235 G C -0.090 174.890 174.900 0.133 0.000 0.982 235 G CA 0.353 45.474 45.100 0.036 0.000 0.641 235 G HN 1.255 nan 8.290 nan 0.000 0.527 236 Y N -1.574 118.716 120.300 -0.015 0.000 2.609 236 Y HA 0.796 5.386 4.550 0.068 0.000 0.336 236 Y C -0.885 175.028 175.900 0.022 0.000 1.129 236 Y CA -2.354 55.752 58.100 0.010 0.000 1.040 236 Y CB 1.091 39.558 38.460 0.011 0.000 1.310 236 Y HN 0.149 nan 8.280 nan 0.000 0.460 237 I N 2.747 123.449 120.570 0.220 0.000 2.439 237 I HA 0.785 4.996 4.170 0.069 0.000 0.285 237 I C -0.687 175.558 176.117 0.214 0.000 1.021 237 I CA -0.935 60.439 61.300 0.123 0.000 1.091 237 I CB 1.822 39.926 38.000 0.173 0.000 1.242 237 I HN 0.907 nan 8.210 nan 0.000 0.439 238 A N 5.091 128.018 122.820 0.178 0.000 2.386 238 A HA 0.856 5.217 4.320 0.069 0.000 0.311 238 A C -1.075 176.572 177.584 0.105 0.000 1.068 238 A CA -0.587 51.573 52.037 0.205 0.000 0.743 238 A CB 1.720 20.884 19.000 0.273 0.000 1.258 238 A HN 0.715 nan 8.150 nan 0.000 0.429 239 N N 0.150 118.924 118.700 0.123 0.000 2.367 239 N HA 0.499 5.280 4.740 0.069 0.000 0.278 239 N C -1.682 173.992 175.510 0.274 0.000 1.117 239 N CA -0.196 52.954 53.050 0.167 0.000 0.867 239 N CB 1.428 40.054 38.487 0.233 0.000 1.649 239 N HN 0.639 nan 8.380 nan 0.000 0.479 240 W N 3.985 125.358 121.300 0.121 0.000 1.139 240 W HA 0.499 5.195 4.660 0.060 0.000 0.302 240 W C -0.065 176.554 176.519 0.167 0.000 0.847 240 W CA -0.273 57.152 57.345 0.133 0.000 1.982 240 W CB -0.617 28.896 29.460 0.089 0.000 1.803 240 W HN 0.916 nan 8.180 nan 0.000 0.492 241 A N 1.881 125.005 122.820 0.508 0.000 2.905 241 A HA -0.293 4.069 4.320 0.069 0.000 0.260 241 A C 0.571 178.466 177.584 0.520 0.000 1.398 241 A CA 1.606 53.965 52.037 0.537 0.000 0.840 241 A CB -2.319 16.953 19.000 0.453 0.000 1.059 241 A HN 0.638 nan 8.150 nan 0.000 0.647 242 N N -0.113 118.732 118.700 0.242 0.000 2.447 242 N HA 0.489 5.270 4.740 0.069 0.000 0.271 242 N C 0.255 175.274 175.510 -0.819 0.000 1.226 242 N CA 0.238 53.204 53.050 -0.140 0.000 0.980 242 N CB 0.919 39.347 38.487 -0.098 0.000 1.206 242 N HN 0.582 nan 8.380 nan 0.000 0.558 243 S N -0.348 114.313 115.700 -1.730 0.000 2.558 243 S HA 0.064 4.575 4.470 0.069 0.000 0.291 243 S C -1.444 172.694 174.600 -0.771 0.000 1.306 243 S CA -0.890 56.195 58.200 -1.858 0.000 1.056 243 S CB 0.112 62.756 63.200 -0.926 0.000 0.836 243 S HN 0.468 nan 8.310 nan 0.000 0.504 244 P HA 0.047 nan 4.420 nan 0.000 0.220 244 P C -0.113 177.095 177.300 -0.153 0.000 1.152 244 P CA 0.765 63.722 63.100 -0.238 0.000 0.812 244 P CB 0.172 31.607 31.700 -0.441 0.000 0.792 245 Q N -1.689 118.000 119.800 -0.186 0.000 2.479 245 Q HA 0.288 4.669 4.340 0.069 0.000 0.276 245 Q C -1.197 174.799 176.000 -0.006 0.000 0.989 245 Q CA -0.968 54.788 55.803 -0.079 0.000 0.864 245 Q CB 1.459 30.134 28.738 -0.105 0.000 1.444 245 Q HN -0.324 nan 8.270 nan 0.000 0.388 246 K N 2.003 122.405 120.400 0.003 0.000 2.489 246 K HA -0.029 4.332 4.320 0.069 0.000 0.278 246 K C -0.566 176.074 176.600 0.068 0.000 1.000 246 K CA 1.415 57.721 56.287 0.032 0.000 1.012 246 K CB 0.283 32.793 32.500 0.018 0.000 0.903 246 K HN 0.649 nan 8.250 nan 0.000 0.485 247 D N 0.961 121.414 120.400 0.087 0.000 2.946 247 D HA -0.282 4.399 4.640 0.069 0.000 0.202 247 D C -0.830 175.544 176.300 0.123 0.000 1.068 247 D CA 1.012 55.066 54.000 0.090 0.000 1.011 247 D CB -1.695 39.141 40.800 0.060 0.000 1.105 247 D HN 0.596 nan 8.370 nan 0.000 0.425 248 Y N 2.510 122.830 120.300 0.034 0.000 2.393 248 Y HA 0.366 4.956 4.550 0.067 0.000 0.338 248 Y C -1.845 174.180 175.900 0.209 0.000 1.029 248 Y CA -1.733 56.396 58.100 0.047 0.000 1.239 248 Y CB 0.871 39.298 38.460 -0.055 0.000 1.170 248 Y HN -0.168 nan 8.280 nan 0.000 0.515 249 P HA 0.218 nan 4.420 nan 0.000 0.276 249 P C -0.803 176.418 177.300 -0.131 0.000 1.235 249 P CA -0.200 62.806 63.100 -0.155 0.000 0.772 249 P CB 1.043 32.612 31.700 -0.218 0.000 0.871 250 A N 3.441 126.169 122.820 -0.152 0.000 2.366 250 A HA 0.244 4.605 4.320 0.069 0.000 0.250 250 A C 0.846 178.260 177.584 -0.284 0.000 1.099 250 A CA -0.173 51.467 52.037 -0.663 0.000 0.794 250 A CB -0.447 18.072 19.000 -0.801 0.000 1.056 250 A HN 0.622 nan 8.150 nan 0.000 0.499 251 S N -0.693 114.830 115.700 -0.296 0.000 2.554 251 S HA -0.029 4.482 4.470 0.069 0.000 0.290 251 S C 0.819 175.365 174.600 -0.091 0.000 1.309 251 S CA 0.567 58.676 58.200 -0.151 0.000 1.047 251 S CB 0.004 63.032 63.200 -0.285 0.000 0.828 251 S HN 0.776 nan 8.310 nan 0.000 0.509 252 D N 3.226 123.608 120.400 -0.030 0.000 2.336 252 D HA 0.037 4.718 4.640 0.069 0.000 0.229 252 D C 0.422 176.726 176.300 0.007 0.000 1.061 252 D CA 0.030 54.033 54.000 0.005 0.000 0.875 252 D CB -0.555 40.262 40.800 0.028 0.000 0.904 252 D HN 0.504 nan 8.370 nan 0.000 0.525 253 L N 1.402 122.599 121.223 -0.044 0.000 2.601 253 L HA -0.026 4.355 4.340 0.069 0.000 0.277 253 L C 1.297 178.105 176.870 -0.104 0.000 1.219 253 L CA -0.546 54.206 54.840 -0.148 0.000 0.915 253 L CB 0.018 41.976 42.059 -0.170 0.000 1.160 253 L HN 0.102 nan 8.230 nan 0.000 0.494 254 F N 1.932 121.839 119.950 -0.071 0.000 2.202 254 F HA -0.113 4.456 4.527 0.069 0.000 0.301 254 F C 1.899 177.695 175.800 -0.007 0.000 1.082 254 F CA 0.913 58.903 58.000 -0.018 0.000 1.313 254 F CB -0.619 38.325 39.000 -0.094 0.000 1.024 254 F HN 0.434 nan 8.300 nan 0.000 0.495 255 A N -0.846 121.789 122.820 -0.308 0.000 2.302 255 A HA 0.223 4.585 4.320 0.069 0.000 0.219 255 A C -0.156 177.400 177.584 -0.047 0.000 1.243 255 A CA -0.170 51.801 52.037 -0.110 0.000 0.856 255 A CB -1.256 17.573 19.000 -0.285 0.000 0.893 255 A HN 0.426 nan 8.150 nan 0.000 0.491 256 F N -0.105 119.742 119.950 -0.172 0.000 2.493 256 F HA 0.701 5.266 4.527 0.064 0.000 0.329 256 F C -0.932 174.734 175.800 -0.224 0.000 1.126 256 F CA -1.048 56.811 58.000 -0.234 0.000 0.937 256 F CB 1.178 40.010 39.000 -0.281 0.000 1.146 256 F HN -0.047 nan 8.300 nan 0.000 0.442 257 L N 4.792 125.567 121.223 -0.746 0.000 2.434 257 L HA 0.399 4.780 4.340 0.069 0.000 0.260 257 L C -1.633 174.959 176.870 -0.463 0.000 0.983 257 L CA -0.776 53.816 54.840 -0.412 0.000 0.820 257 L CB 2.353 44.337 42.059 -0.126 0.000 1.361 257 L HN 0.537 nan 8.230 nan 0.000 0.410 258 W N 1.976 123.195 121.300 -0.136 0.000 2.318 258 W HA 0.700 5.399 4.660 0.066 0.000 0.315 258 W C 0.244 176.743 176.519 -0.034 0.000 1.033 258 W CA -0.972 56.320 57.345 -0.088 0.000 1.275 258 W CB 1.464 30.944 29.460 0.034 0.000 1.250 258 W HN 0.539 nan 8.180 nan 0.000 0.421 259 G N 0.224 109.118 108.800 0.157 0.000 2.921 259 G HA2 0.459 4.460 3.960 0.069 0.000 0.291 259 G HA3 0.459 4.460 3.960 0.069 0.000 0.291 259 G C 0.649 175.603 174.900 0.089 0.000 1.370 259 G CA -0.156 45.016 45.100 0.120 0.000 0.847 259 G HN 0.403 nan 8.290 nan 0.000 0.532 260 G N -0.476 108.406 108.800 0.137 0.000 2.448 260 G HA2 0.308 4.309 3.960 0.069 0.000 0.219 260 G HA3 0.308 4.309 3.960 0.069 0.000 0.219 260 G C 0.891 175.754 174.900 -0.062 0.000 1.127 260 G CA 1.530 46.715 45.100 0.142 0.000 0.766 260 G HN 1.202 nan 8.290 nan 0.000 0.552 261 A N 0.432 123.125 122.820 -0.212 0.000 2.279 261 A HA 0.550 4.911 4.320 0.069 0.000 0.306 261 A C -0.785 176.642 177.584 -0.261 0.000 1.300 261 A CA -0.420 51.298 52.037 -0.532 0.000 0.925 261 A CB 0.470 19.077 19.000 -0.656 0.000 1.152 261 A HN 0.171 nan 8.150 nan 0.000 0.544 262 D N 1.998 122.262 120.400 -0.228 0.000 2.934 262 D HA 0.188 4.869 4.640 0.069 0.000 0.230 262 D C 0.946 177.146 176.300 -0.166 0.000 1.204 262 D CA -0.480 53.428 54.000 -0.153 0.000 0.873 262 D CB 1.423 42.177 40.800 -0.077 0.000 1.645 262 D HN 0.627 nan 8.370 nan 0.000 0.502 263 R N 1.858 122.231 120.500 -0.212 0.000 2.280 263 R HA -0.005 4.376 4.340 0.069 0.000 0.207 263 R C 1.531 177.842 176.300 0.019 0.000 1.043 263 R CA 0.355 56.312 56.100 -0.239 0.000 1.006 263 R CB -0.243 29.673 30.300 -0.640 0.000 0.885 263 R HN 0.190 nan 8.270 nan 0.000 0.467 264 V N 1.689 121.657 119.914 0.089 0.000 2.626 264 V HA -0.188 3.973 4.120 0.069 0.000 0.252 264 V C 1.503 177.660 176.094 0.104 0.000 1.067 264 V CA 2.266 64.695 62.300 0.215 0.000 1.081 264 V CB -0.328 31.589 31.823 0.158 0.000 0.686 264 V HN 0.486 nan 8.190 nan 0.000 0.468 265 T N 0.118 114.683 114.554 0.018 0.000 2.803 265 T HA -0.173 4.218 4.350 0.069 0.000 0.269 265 T C 1.703 176.380 174.700 -0.038 0.000 1.052 265 T CA 1.583 63.670 62.100 -0.022 0.000 1.136 265 T CB -0.280 68.549 68.868 -0.066 0.000 0.864 265 T HN 0.569 nan 8.240 nan 0.000 0.467 266 E N 0.821 121.012 120.200 -0.014 0.000 2.160 266 E HA -0.053 4.339 4.350 0.069 0.000 0.195 266 E C 2.146 178.680 176.600 -0.110 0.000 0.991 266 E CA 0.793 57.169 56.400 -0.041 0.000 0.810 266 E CB -0.339 29.386 29.700 0.043 0.000 0.742 266 E HN 0.556 nan 8.360 nan 0.000 0.466 267 I N 1.343 121.855 120.570 -0.097 0.000 2.333 267 I HA -0.197 4.014 4.170 0.069 0.000 0.246 267 I C 1.925 177.869 176.117 -0.287 0.000 1.106 267 I CA 0.824 61.943 61.300 -0.303 0.000 1.411 267 I CB -0.167 37.665 38.000 -0.280 0.000 1.082 267 I HN -0.099 nan 8.210 nan 0.000 0.420 268 D N 1.068 121.391 120.400 -0.128 0.000 2.133 268 D HA -0.190 4.491 4.640 0.069 0.000 0.195 268 D C 2.302 178.501 176.300 -0.169 0.000 0.997 268 D CA 1.282 55.222 54.000 -0.099 0.000 0.840 268 D CB -0.267 40.550 40.800 0.029 0.000 0.947 268 D HN 0.303 nan 8.370 nan 0.000 0.452 269 R N 0.133 120.542 120.500 -0.152 0.000 2.091 269 R HA -0.062 4.320 4.340 0.069 0.000 0.238 269 R C 2.610 178.786 176.300 -0.206 0.000 1.136 269 R CA 0.676 56.684 56.100 -0.153 0.000 0.959 269 R CB -0.345 29.872 30.300 -0.139 0.000 0.856 269 R HN 0.244 nan 8.270 nan 0.000 0.437 270 L N 0.439 121.499 121.223 -0.271 0.000 2.156 270 L HA -0.129 4.252 4.340 0.069 0.000 0.208 270 L C 2.263 178.920 176.870 -0.354 0.000 1.095 270 L CA 0.911 55.561 54.840 -0.316 0.000 0.770 270 L CB -0.229 41.590 42.059 -0.400 0.000 0.914 270 L HN 0.212 nan 8.230 nan 0.000 0.439 271 L N -0.841 120.115 121.223 -0.445 0.000 2.179 271 L HA -0.099 4.282 4.340 0.069 0.000 0.208 271 L C 2.166 178.798 176.870 -0.397 0.000 1.096 271 L CA 0.929 55.456 54.840 -0.521 0.000 0.779 271 L CB -0.298 41.211 42.059 -0.917 0.000 0.922 271 L HN 0.267 nan 8.230 nan 0.000 0.443 272 E N -0.317 119.697 120.200 -0.311 0.000 2.435 272 E HA -0.179 4.213 4.350 0.069 0.000 0.195 272 E C 1.930 178.452 176.600 -0.130 0.000 1.029 272 E CA 0.089 56.391 56.400 -0.163 0.000 0.865 272 E CB 0.149 29.801 29.700 -0.079 0.000 0.833 272 E HN 0.437 nan 8.360 nan 0.000 0.510 273 Q N 1.348 121.056 119.800 -0.153 0.000 2.077 273 Q HA -0.171 4.210 4.340 0.069 0.000 0.206 273 Q C -0.075 175.865 176.000 -0.101 0.000 0.989 273 Q CA 1.427 57.157 55.803 -0.123 0.000 0.853 273 Q CB 0.188 28.841 28.738 -0.142 0.000 0.907 273 Q HN 0.069 nan 8.270 nan 0.000 0.418 274 K N -0.968 119.367 120.400 -0.110 0.000 2.267 274 K HA 0.296 4.658 4.320 0.069 0.000 0.246 274 K C -2.233 174.322 176.600 -0.075 0.000 0.954 274 K CA -1.870 54.367 56.287 -0.084 0.000 0.824 274 K CB 1.232 33.682 32.500 -0.083 0.000 1.167 274 K HN -0.236 nan 8.250 nan 0.000 0.431 275 P HA -0.153 nan 4.420 nan 0.000 0.215 275 P C -0.525 176.753 177.300 -0.036 0.000 1.157 275 P CA 1.276 64.354 63.100 -0.036 0.000 0.874 275 P CB 0.291 31.975 31.700 -0.026 0.000 0.790 276 R N -1.763 118.714 120.500 -0.040 0.000 2.808 276 R HA 0.628 5.009 4.340 0.069 0.000 0.272 276 R C -1.203 175.070 176.300 -0.045 0.000 0.995 276 R CA -0.981 55.099 56.100 -0.033 0.000 0.917 276 R CB 1.375 31.666 30.300 -0.016 0.000 1.217 276 R HN -0.168 nan 8.270 nan 0.000 0.471 277 L N 0.746 121.946 121.223 -0.038 0.000 2.365 277 L HA 0.435 4.817 4.340 0.069 0.000 0.273 277 L C 0.486 177.350 176.870 -0.011 0.000 1.000 277 L CA -0.507 54.309 54.840 -0.039 0.000 0.819 277 L CB 1.974 44.004 42.059 -0.049 0.000 1.284 277 L HN 0.775 nan 8.230 nan 0.000 0.418 278 T N -1.002 113.543 114.554 -0.015 0.000 2.788 278 T HA 0.479 4.870 4.350 0.069 0.000 0.280 278 T C 1.329 176.033 174.700 0.008 0.000 0.984 278 T CA -0.065 62.032 62.100 -0.005 0.000 0.972 278 T CB 1.028 69.884 68.868 -0.020 0.000 1.039 278 T HN 0.603 nan 8.240 nan 0.000 0.530 279 A N 0.451 123.272 122.820 0.003 0.000 1.933 279 A HA -0.086 4.276 4.320 0.069 0.000 0.218 279 A C 2.007 179.578 177.584 -0.022 0.000 1.175 279 A CA 1.752 53.788 52.037 -0.001 0.000 0.628 279 A CB -1.107 17.868 19.000 -0.043 0.000 0.814 279 A HN 0.875 nan 8.150 nan 0.000 0.444 280 D N -0.522 119.839 120.400 -0.066 0.000 2.144 280 D HA -0.123 4.558 4.640 0.069 0.000 0.200 280 D C 2.226 178.538 176.300 0.020 0.000 0.978 280 D CA 1.399 55.366 54.000 -0.055 0.000 0.833 280 D CB -0.342 40.405 40.800 -0.089 0.000 0.961 280 D HN 0.634 nan 8.370 nan 0.000 0.470 281 Q N 0.131 119.927 119.800 -0.006 0.000 2.079 281 Q HA -0.011 4.370 4.340 0.069 0.000 0.200 281 Q C 2.190 178.187 176.000 -0.004 0.000 0.974 281 Q CA 1.343 57.130 55.803 -0.027 0.000 0.840 281 Q CB -0.074 28.629 28.738 -0.057 0.000 0.898 281 Q HN 0.215 nan 8.270 nan 0.000 0.430 282 A N 0.809 123.668 122.820 0.065 0.000 1.902 282 A HA -0.189 4.172 4.320 0.069 0.000 0.217 282 A C 1.749 179.523 177.584 0.316 0.000 1.181 282 A CA 0.982 53.131 52.037 0.188 0.000 0.623 282 A CB -1.028 18.112 19.000 0.234 0.000 0.818 282 A HN 0.698 nan 8.150 nan 0.000 0.443 283 W N 1.178 122.499 121.300 0.035 0.000 2.402 283 W HA -0.140 4.563 4.660 0.072 0.000 0.286 283 W C 0.610 177.124 176.519 -0.008 0.000 1.221 283 W CA 1.798 59.148 57.345 0.008 0.000 1.257 283 W CB -0.207 29.177 29.460 -0.127 0.000 1.120 283 W HN 0.391 nan 8.180 nan 0.000 0.551 284 D N 0.460 120.899 120.400 0.064 0.000 2.263 284 D HA -0.149 4.532 4.640 0.069 0.000 0.208 284 D C 2.277 178.431 176.300 -0.243 0.000 0.971 284 D CA 1.062 55.000 54.000 -0.104 0.000 0.867 284 D CB -0.440 40.306 40.800 -0.090 0.000 0.929 284 D HN 0.033 nan 8.370 nan 0.000 0.492 285 V N 1.079 120.852 119.914 -0.236 0.000 2.469 285 V HA -0.248 3.913 4.120 0.069 0.000 0.251 285 V C 2.420 178.298 176.094 -0.360 0.000 1.064 285 V CA 1.052 63.090 62.300 -0.438 0.000 1.066 285 V CB -0.363 30.942 31.823 -0.864 0.000 0.667 285 V HN 0.240 nan 8.190 nan 0.000 0.461 286 I N -0.306 120.156 120.570 -0.179 0.000 2.142 286 I HA -0.274 3.937 4.170 0.069 0.000 0.240 286 I C 2.754 178.675 176.117 -0.326 0.000 1.078 286 I CA 1.989 63.174 61.300 -0.192 0.000 1.343 286 I CB -0.492 37.244 38.000 -0.441 0.000 1.046 286 I HN 0.224 nan 8.210 nan 0.000 0.405 287 R N 0.614 120.730 120.500 -0.641 0.000 2.083 287 R HA -0.220 4.162 4.340 0.069 0.000 0.237 287 R C 2.405 178.385 176.300 -0.533 0.000 1.137 287 R CA 1.612 57.050 56.100 -1.105 0.000 0.951 287 R CB -0.079 29.483 30.300 -1.229 0.000 0.851 287 R HN 0.335 nan 8.270 nan 0.000 0.434 288 Q N -0.187 119.375 119.800 -0.396 0.000 2.046 288 Q HA -0.106 4.275 4.340 0.069 0.000 0.200 288 Q C 2.231 178.110 176.000 -0.202 0.000 0.975 288 Q CA 2.290 57.926 55.803 -0.278 0.000 0.836 288 Q CB -0.672 27.901 28.738 -0.275 0.000 0.896 288 Q HN 0.588 nan 8.270 nan 0.000 0.428 289 T N -0.865 113.559 114.554 -0.217 0.000 2.833 289 T HA -0.110 4.281 4.350 0.069 0.000 0.269 289 T C 2.017 176.759 174.700 0.070 0.000 1.054 289 T CA 1.515 63.565 62.100 -0.084 0.000 1.135 289 T CB -0.387 68.339 68.868 -0.237 0.000 0.869 289 T HN 0.311 nan 8.240 nan 0.000 0.466 290 S N 1.250 116.955 115.700 0.009 0.000 2.474 290 S HA 0.040 4.552 4.470 0.069 0.000 0.235 290 S C 1.957 176.627 174.600 0.118 0.000 0.997 290 S CA 0.155 58.423 58.200 0.114 0.000 0.949 290 S CB -0.371 62.914 63.200 0.142 0.000 0.766 290 S HN 0.575 nan 8.310 nan 0.000 0.517 291 R N -0.008 120.518 120.500 0.043 0.000 2.437 291 R HA 0.298 4.680 4.340 0.069 0.000 0.257 291 R C 0.067 176.348 176.300 -0.033 0.000 0.927 291 R CA -0.112 56.008 56.100 0.034 0.000 1.078 291 R CB 0.224 30.519 30.300 -0.009 0.000 1.161 291 R HN 0.354 nan 8.270 nan 0.000 0.529 292 Q N 2.217 122.001 119.800 -0.028 0.000 2.323 292 Q HA -0.015 4.366 4.340 0.069 0.000 0.257 292 Q C -0.702 175.250 176.000 -0.080 0.000 1.022 292 Q CA 0.047 55.790 55.803 -0.101 0.000 0.919 292 Q CB 0.585 29.280 28.738 -0.073 0.000 1.220 292 Q HN 0.014 nan 8.270 nan 0.000 0.427 293 D N 4.155 124.469 120.400 -0.143 0.000 2.493 293 D HA -0.079 4.602 4.640 0.069 0.000 0.240 293 D C 0.255 176.507 176.300 -0.079 0.000 1.142 293 D CA 0.297 54.274 54.000 -0.040 0.000 0.872 293 D CB 0.851 41.651 40.800 -0.001 0.000 1.173 293 D HN 0.758 nan 8.370 nan 0.000 0.467 294 L N 3.543 124.728 121.223 -0.063 0.000 2.446 294 L HA 0.007 4.388 4.340 0.069 0.000 0.219 294 L C 2.016 178.851 176.870 -0.058 0.000 1.116 294 L CA 0.066 54.840 54.840 -0.109 0.000 0.844 294 L CB -0.247 41.698 42.059 -0.189 0.000 0.970 294 L HN 0.394 nan 8.230 nan 0.000 0.457 295 N N 0.229 118.977 118.700 0.080 0.000 2.415 295 N HA -0.061 4.720 4.740 0.069 0.000 0.176 295 N C 1.831 177.459 175.510 0.197 0.000 1.042 295 N CA 0.488 53.676 53.050 0.229 0.000 0.902 295 N CB 0.239 39.031 38.487 0.508 0.000 0.986 295 N HN 0.158 nan 8.380 nan 0.000 0.447 296 L N 2.553 123.845 121.223 0.115 0.000 1.963 296 L HA -0.216 4.165 4.340 0.069 0.000 0.220 296 L C 2.541 179.405 176.870 -0.010 0.000 1.076 296 L CA 1.813 56.687 54.840 0.057 0.000 0.772 296 L CB -0.696 41.300 42.059 -0.105 0.000 0.892 296 L HN 0.068 nan 8.230 nan 0.000 0.435 297 R N -0.759 119.687 120.500 -0.091 0.000 2.117 297 R HA -0.195 4.186 4.340 0.069 0.000 0.243 297 R C 2.232 178.456 176.300 -0.127 0.000 1.143 297 R CA 2.093 58.125 56.100 -0.113 0.000 0.968 297 R CB -0.412 29.803 30.300 -0.142 0.000 0.863 297 R HN 0.530 nan 8.270 nan 0.000 0.444 298 L N -0.857 120.221 121.223 -0.242 0.000 2.072 298 L HA -0.069 4.312 4.340 0.069 0.000 0.205 298 L C 1.613 178.280 176.870 -0.337 0.000 1.079 298 L CA 1.136 55.709 54.840 -0.444 0.000 0.752 298 L CB -0.226 41.256 42.059 -0.961 0.000 0.906 298 L HN 0.162 nan 8.230 nan 0.000 0.436 299 F N -1.715 118.328 119.950 0.156 0.000 2.720 299 F HA 0.109 4.675 4.527 0.065 0.000 0.301 299 F C 1.790 177.572 175.800 -0.030 0.000 1.103 299 F CA -0.281 57.803 58.000 0.141 0.000 1.291 299 F CB -0.157 38.979 39.000 0.227 0.000 1.086 299 F HN -0.140 nan 8.300 nan 0.000 0.592 300 L N 2.261 123.538 121.223 0.090 0.000 2.012 300 L HA -0.054 4.328 4.340 0.069 0.000 0.210 300 L C -0.724 176.149 176.870 0.005 0.000 1.073 300 L CA 2.262 57.108 54.840 0.011 0.000 0.748 300 L CB -1.652 40.411 42.059 0.007 0.000 0.891 300 L HN -0.116 nan 8.230 nan 0.000 0.431 301 P HA -0.153 nan 4.420 nan 0.000 0.215 301 P C 1.614 178.933 177.300 0.031 0.000 1.157 301 P CA 2.173 65.286 63.100 0.021 0.000 0.874 301 P CB -0.312 31.401 31.700 0.022 0.000 0.790 302 T N -0.308 114.293 114.554 0.079 0.000 2.788 302 T HA -0.080 4.311 4.350 0.069 0.000 0.268 302 T C 1.789 176.518 174.700 0.049 0.000 1.044 302 T CA 1.055 63.218 62.100 0.105 0.000 1.139 302 T CB -0.839 68.188 68.868 0.265 0.000 0.867 302 T HN 0.056 nan 8.240 nan 0.000 0.454 303 L N 0.469 121.671 121.223 -0.035 0.000 2.109 303 L HA -0.072 4.309 4.340 0.069 0.000 0.207 303 L C 2.855 179.684 176.870 -0.069 0.000 1.086 303 L CA 1.217 55.978 54.840 -0.132 0.000 0.760 303 L CB -0.485 41.392 42.059 -0.303 0.000 0.910 303 L HN 0.266 nan 8.230 nan 0.000 0.437 304 Q N -0.318 119.455 119.800 -0.046 0.000 2.119 304 Q HA -0.159 4.222 4.340 0.069 0.000 0.201 304 Q C 2.433 178.420 176.000 -0.022 0.000 0.972 304 Q CA 1.517 57.300 55.803 -0.033 0.000 0.847 304 Q CB -0.226 28.497 28.738 -0.025 0.000 0.903 304 Q HN 0.552 nan 8.270 nan 0.000 0.433 305 A N 0.996 123.810 122.820 -0.011 0.000 1.898 305 A HA -0.070 4.291 4.320 0.069 0.000 0.216 305 A C 2.270 179.851 177.584 -0.004 0.000 1.181 305 A CA 1.488 53.521 52.037 -0.007 0.000 0.620 305 A CB -0.736 18.262 19.000 -0.003 0.000 0.819 305 A HN 0.383 nan 8.150 nan 0.000 0.442 306 A N -0.459 122.365 122.820 0.008 0.000 1.969 306 A HA -0.027 4.334 4.320 0.069 0.000 0.218 306 A C 2.200 179.788 177.584 0.007 0.000 1.169 306 A CA 2.193 54.242 52.037 0.020 0.000 0.635 306 A CB -0.941 18.093 19.000 0.058 0.000 0.810 306 A HN 0.758 nan 8.150 nan 0.000 0.445 307 T N -2.596 111.953 114.554 -0.010 0.000 3.069 307 T HA 0.071 4.462 4.350 0.069 0.000 0.252 307 T C 1.605 176.289 174.700 -0.026 0.000 1.053 307 T CA 0.881 62.968 62.100 -0.021 0.000 0.964 307 T CB -0.259 68.587 68.868 -0.038 0.000 1.005 307 T HN 0.523 nan 8.240 nan 0.000 0.532 308 S N 1.105 116.792 115.700 -0.022 0.000 2.447 308 S HA 0.102 4.613 4.470 0.069 0.000 0.233 308 S C 2.095 176.681 174.600 -0.022 0.000 1.006 308 S CA 0.651 58.836 58.200 -0.024 0.000 0.957 308 S CB -0.855 62.332 63.200 -0.020 0.000 0.773 308 S HN 0.600 nan 8.310 nan 0.000 0.507 309 G N 0.724 109.512 108.800 -0.019 0.000 3.042 309 G HA2 0.375 4.376 3.960 0.069 0.000 0.212 309 G HA3 0.375 4.376 3.960 0.069 0.000 0.212 309 G C 0.329 175.216 174.900 -0.022 0.000 1.166 309 G CA -0.455 44.633 45.100 -0.019 0.000 0.767 309 G HN 0.414 nan 8.290 nan 0.000 0.546 310 L N 1.819 123.025 121.223 -0.028 0.000 2.436 310 L HA 0.275 4.656 4.340 0.069 0.000 0.265 310 L C 1.417 178.262 176.870 -0.042 0.000 1.168 310 L CA -0.595 54.224 54.840 -0.035 0.000 0.815 310 L CB 0.884 42.918 42.059 -0.041 0.000 1.109 310 L HN 0.152 nan 8.230 nan 0.000 0.462 311 T N -1.855 112.672 114.554 -0.044 0.000 2.802 311 T HA -0.041 4.350 4.350 0.069 0.000 0.305 311 T C 0.774 175.438 174.700 -0.061 0.000 1.053 311 T CA -0.403 61.670 62.100 -0.046 0.000 1.058 311 T CB 1.105 69.948 68.868 -0.042 0.000 0.988 311 T HN 0.655 nan 8.240 nan 0.000 0.539 312 Q N 0.567 120.333 119.800 -0.058 0.000 2.170 312 Q HA -0.134 4.247 4.340 0.069 0.000 0.203 312 Q C 2.146 178.092 176.000 -0.090 0.000 0.976 312 Q CA 2.087 57.849 55.803 -0.069 0.000 0.858 312 Q CB -0.546 28.158 28.738 -0.056 0.000 0.907 312 Q HN 0.927 nan 8.270 nan 0.000 0.433 313 S N -0.216 115.433 115.700 -0.085 0.000 2.603 313 S HA -0.016 4.495 4.470 0.069 0.000 0.220 313 S C 0.498 175.011 174.600 -0.145 0.000 0.967 313 S CA -0.156 57.982 58.200 -0.103 0.000 0.920 313 S CB 0.037 63.195 63.200 -0.070 0.000 0.773 313 S HN 0.222 nan 8.310 nan 0.000 0.529 314 D N 3.089 123.404 120.400 -0.140 0.000 2.390 314 D HA 0.177 4.858 4.640 0.069 0.000 0.249 314 D C -1.568 174.563 176.300 -0.282 0.000 1.144 314 D CA -1.911 51.983 54.000 -0.176 0.000 0.880 314 D CB 1.712 42.443 40.800 -0.116 0.000 1.182 314 D HN 0.064 nan 8.370 nan 0.000 0.451 315 P HA -0.046 nan 4.420 nan 0.000 0.221 315 P C 1.197 178.226 177.300 -0.452 0.000 1.150 315 P CA 0.768 63.401 63.100 -0.779 0.000 0.800 315 P CB 0.423 31.059 31.700 -1.774 0.000 0.787 316 R N -0.178 120.172 120.500 -0.250 0.000 2.073 316 R HA -0.073 4.308 4.340 0.069 0.000 0.234 316 R C 2.673 178.918 176.300 -0.091 0.000 1.134 316 R CA 1.201 57.250 56.100 -0.085 0.000 0.952 316 R CB -0.546 29.739 30.300 -0.026 0.000 0.850 316 R HN 0.102 nan 8.270 nan 0.000 0.433 317 R N 1.330 121.760 120.500 -0.117 0.000 2.073 317 R HA -0.185 4.197 4.340 0.069 0.000 0.234 317 R C 2.072 178.299 176.300 -0.123 0.000 1.134 317 R CA 1.903 57.940 56.100 -0.104 0.000 0.952 317 R CB -0.062 30.181 30.300 -0.094 0.000 0.850 317 R HN 0.350 nan 8.270 nan 0.000 0.433 318 Q N 0.241 119.936 119.800 -0.175 0.000 2.226 318 Q HA -0.126 4.255 4.340 0.069 0.000 0.204 318 Q C 2.232 178.144 176.000 -0.145 0.000 0.975 318 Q CA 1.208 56.905 55.803 -0.176 0.000 0.866 318 Q CB -0.082 28.516 28.738 -0.234 0.000 0.915 318 Q HN 0.374 nan 8.270 nan 0.000 0.440 319 L N -0.212 120.946 121.223 -0.107 0.000 2.046 319 L HA -0.167 4.214 4.340 0.069 0.000 0.208 319 L C 2.241 179.079 176.870 -0.053 0.000 1.077 319 L CA 0.771 55.591 54.840 -0.034 0.000 0.747 319 L CB -0.352 41.752 42.059 0.076 0.000 0.896 319 L HN 0.095 nan 8.230 nan 0.000 0.432 320 V N -0.428 119.444 119.914 -0.069 0.000 2.548 320 V HA -0.213 3.948 4.120 0.069 0.000 0.249 320 V C 2.298 178.360 176.094 -0.053 0.000 1.055 320 V CA 1.495 63.752 62.300 -0.072 0.000 1.065 320 V CB -0.430 31.341 31.823 -0.087 0.000 0.681 320 V HN 0.442 nan 8.190 nan 0.000 0.462 321 E N 0.005 120.167 120.200 -0.063 0.000 2.110 321 E HA -0.186 4.205 4.350 0.069 0.000 0.193 321 E C 2.285 178.857 176.600 -0.046 0.000 0.988 321 E CA 1.743 58.111 56.400 -0.053 0.000 0.804 321 E CB -0.273 29.386 29.700 -0.068 0.000 0.745 321 E HN 0.555 nan 8.360 nan 0.000 0.458 322 T N 1.559 116.071 114.554 -0.071 0.000 2.746 322 T HA -0.127 4.264 4.350 0.069 0.000 0.267 322 T C 1.919 176.612 174.700 -0.012 0.000 1.039 322 T CA 0.861 62.910 62.100 -0.084 0.000 1.142 322 T CB -0.134 68.645 68.868 -0.149 0.000 0.866 322 T HN 0.100 nan 8.240 nan 0.000 0.444 323 L N 0.555 121.794 121.223 0.027 0.000 2.093 323 L HA -0.069 4.312 4.340 0.069 0.000 0.208 323 L C 2.904 179.867 176.870 0.155 0.000 1.085 323 L CA 1.079 56.010 54.840 0.151 0.000 0.755 323 L CB -1.116 41.011 42.059 0.114 0.000 0.904 323 L HN 0.240 nan 8.230 nan 0.000 0.435 324 T N -0.487 114.104 114.554 0.061 0.000 2.803 324 T HA -0.178 4.213 4.350 0.069 0.000 0.269 324 T C 1.917 176.647 174.700 0.051 0.000 1.052 324 T CA 1.241 63.362 62.100 0.036 0.000 1.136 324 T CB -0.175 68.693 68.868 0.000 0.000 0.864 324 T HN 0.285 nan 8.240 nan 0.000 0.467 325 R N -1.080 119.461 120.500 0.069 0.000 2.310 325 R HA 0.088 4.470 4.340 0.069 0.000 0.202 325 R C 0.052 176.446 176.300 0.157 0.000 0.933 325 R CA -0.070 56.071 56.100 0.068 0.000 1.054 325 R CB 0.207 30.526 30.300 0.032 0.000 0.985 325 R HN 0.314 nan 8.270 nan 0.000 0.489 326 W N 1.943 123.214 121.300 -0.049 0.000 2.570 326 W HA 0.122 4.819 4.660 0.062 0.000 0.337 326 W C 0.085 176.573 176.519 -0.052 0.000 1.067 326 W CA -1.671 55.644 57.345 -0.050 0.000 1.229 326 W CB 1.112 30.543 29.460 -0.049 0.000 1.355 326 W HN 0.029 nan 8.180 nan 0.000 0.555 327 D N 1.517 121.737 120.400 -0.301 0.000 2.340 327 D HA 0.173 4.854 4.640 0.069 0.000 0.220 327 D C 1.528 177.346 176.300 -0.805 0.000 1.039 327 D CA 0.569 54.315 54.000 -0.423 0.000 0.866 327 D CB -0.110 40.536 40.800 -0.256 0.000 0.913 327 D HN 0.764 nan 8.370 nan 0.000 0.523 328 G N 0.007 107.717 108.800 -1.817 0.000 2.175 328 G HA2 -0.221 3.780 3.960 0.069 0.000 0.244 328 G HA3 -0.221 3.780 3.960 0.069 0.000 0.244 328 G C -0.065 174.117 174.900 -1.196 0.000 0.982 328 G CA 0.031 43.965 45.100 -1.943 0.000 0.641 328 G HN 0.321 nan 8.290 nan 0.000 0.527 329 I N 1.938 122.049 120.570 -0.765 0.000 2.352 329 I HA 0.273 4.484 4.170 0.069 0.000 0.290 329 I C 0.013 176.156 176.117 0.045 0.000 1.036 329 I CA -0.950 60.199 61.300 -0.250 0.000 1.336 329 I CB 0.682 38.583 38.000 -0.167 0.000 1.407 329 I HN 0.031 nan 8.210 nan 0.000 0.497 330 N N 7.570 126.238 118.700 -0.052 0.000 2.499 330 N HA 0.479 5.261 4.740 0.069 0.000 0.281 330 N C -0.673 174.813 175.510 -0.040 0.000 1.098 330 N CA -0.226 52.705 53.050 -0.198 0.000 0.979 330 N CB 1.965 39.867 38.487 -0.975 0.000 1.121 330 N HN 0.434 nan 8.380 nan 0.000 0.466 331 L N 2.480 123.759 121.223 0.093 0.000 2.410 331 L HA 0.435 4.816 4.340 0.069 0.000 0.270 331 L C -0.042 177.047 176.870 0.366 0.000 0.983 331 L CA -0.771 54.200 54.840 0.218 0.000 0.822 331 L CB 2.125 44.273 42.059 0.150 0.000 1.285 331 L HN 0.250 nan 8.230 nan 0.000 0.409 332 L N 2.881 124.318 121.223 0.356 0.000 2.461 332 L HA 0.139 4.520 4.340 0.069 0.000 0.272 332 L C 0.611 177.595 176.870 0.190 0.000 1.197 332 L CA -0.141 54.878 54.840 0.297 0.000 0.836 332 L CB 0.175 42.343 42.059 0.182 0.000 1.105 332 L HN 0.619 nan 8.230 nan 0.000 0.477 333 N N 1.040 119.827 118.700 0.145 0.000 2.347 333 N HA -0.013 4.768 4.740 0.069 0.000 0.253 333 N C 0.455 176.009 175.510 0.074 0.000 1.274 333 N CA -0.439 52.669 53.050 0.096 0.000 0.941 333 N CB 0.518 39.049 38.487 0.072 0.000 1.200 333 N HN 0.492 nan 8.380 nan 0.000 0.514 334 D N 0.178 120.613 120.400 0.058 0.000 2.228 334 D HA -0.178 4.503 4.640 0.069 0.000 0.203 334 D C 0.974 177.296 176.300 0.037 0.000 0.988 334 D CA 1.077 55.104 54.000 0.046 0.000 0.864 334 D CB -0.290 40.533 40.800 0.038 0.000 0.928 334 D HN 0.613 nan 8.370 nan 0.000 0.469 335 D N -0.314 120.105 120.400 0.032 0.000 2.351 335 D HA -0.034 4.647 4.640 0.069 0.000 0.216 335 D C 1.609 177.917 176.300 0.015 0.000 0.968 335 D CA 1.114 55.126 54.000 0.020 0.000 0.899 335 D CB -0.623 40.185 40.800 0.013 0.000 0.907 335 D HN 0.232 nan 8.370 nan 0.000 0.514 336 G N 0.875 109.689 108.800 0.023 0.000 2.143 336 G HA2 -0.370 3.631 3.960 0.069 0.000 0.248 336 G HA3 -0.370 3.631 3.960 0.069 0.000 0.248 336 G C 0.712 175.604 174.900 -0.013 0.000 0.991 336 G CA 0.826 45.937 45.100 0.018 0.000 0.689 336 G HN 0.734 nan 8.290 nan 0.000 0.522 337 K N -1.665 118.715 120.400 -0.034 0.000 2.600 337 K HA 0.228 4.589 4.320 0.069 0.000 0.210 337 K C 0.527 177.038 176.600 -0.148 0.000 1.650 337 K CA 0.825 57.058 56.287 -0.089 0.000 1.024 337 K CB 0.213 32.676 32.500 -0.062 0.000 1.370 337 K HN 0.730 nan 8.250 nan 0.000 0.619 338 T N -2.041 112.455 114.554 -0.096 0.000 2.924 338 T HA 0.496 4.888 4.350 0.069 0.000 0.291 338 T C -0.922 173.769 174.700 -0.014 0.000 1.045 338 T CA -0.760 61.279 62.100 -0.101 0.000 1.015 338 T CB 1.190 70.052 68.868 -0.010 0.000 1.103 338 T HN 0.159 nan 8.240 nan 0.000 0.496 339 W N 1.230 122.548 121.300 0.030 0.000 2.313 339 W HA 0.368 5.064 4.660 0.059 0.000 0.328 339 W C 1.603 178.118 176.519 -0.007 0.000 1.197 339 W CA -1.105 56.260 57.345 0.032 0.000 1.235 339 W CB 0.841 30.325 29.460 0.038 0.000 1.158 339 W HN 0.918 nan 8.180 nan 0.000 0.578 340 Q N 0.516 120.467 119.800 0.252 0.000 2.170 340 Q HA -0.159 4.222 4.340 0.069 0.000 0.203 340 Q C 0.393 176.390 176.000 -0.005 0.000 0.976 340 Q CA 1.148 57.013 55.803 0.103 0.000 0.858 340 Q CB 0.263 29.058 28.738 0.094 0.000 0.907 340 Q HN 0.318 nan 8.270 nan 0.000 0.433 341 Q N -0.551 119.194 119.800 -0.091 0.000 2.348 341 Q HA 0.236 4.617 4.340 0.069 0.000 0.271 341 Q C -2.075 173.732 176.000 -0.322 0.000 1.067 341 Q CA -1.886 53.705 55.803 -0.353 0.000 0.839 341 Q CB 1.478 29.685 28.738 -0.884 0.000 1.354 341 Q HN -0.024 nan 8.270 nan 0.000 0.447 342 P HA 0.072 nan 4.420 nan 0.000 0.267 342 P C 0.935 178.103 177.300 -0.220 0.000 1.289 342 P CA 0.282 63.295 63.100 -0.146 0.000 0.866 342 P CB 0.323 32.051 31.700 0.047 0.000 1.309 343 G N 1.123 109.551 108.800 -0.620 0.000 2.469 343 G HA2 -0.274 3.727 3.960 0.069 0.000 0.219 343 G HA3 -0.274 3.727 3.960 0.069 0.000 0.219 343 G C 1.666 176.530 174.900 -0.060 0.000 1.150 343 G CA 0.950 45.725 45.100 -0.541 0.000 0.763 343 G HN 0.229 nan 8.290 nan 0.000 0.561 344 S N 0.866 116.558 115.700 -0.013 0.000 2.368 344 S HA 0.042 4.553 4.470 0.069 0.000 0.224 344 S C 2.801 177.339 174.600 -0.102 0.000 1.029 344 S CA 1.163 59.440 58.200 0.129 0.000 0.988 344 S CB -0.370 62.985 63.200 0.258 0.000 0.838 344 S HN 0.606 nan 8.310 nan 0.000 0.462 345 A N 1.392 124.211 122.820 -0.002 0.000 1.902 345 A HA -0.038 4.323 4.320 0.069 0.000 0.217 345 A C 2.050 179.636 177.584 0.003 0.000 1.181 345 A CA 1.131 53.152 52.037 -0.026 0.000 0.623 345 A CB -0.716 18.306 19.000 0.036 0.000 0.818 345 A HN 0.470 nan 8.150 nan 0.000 0.443 346 I N -0.362 120.250 120.570 0.069 0.000 2.127 346 I HA -0.298 3.913 4.170 0.069 0.000 0.241 346 I C 2.397 178.608 176.117 0.157 0.000 1.075 346 I CA 1.395 62.783 61.300 0.146 0.000 1.334 346 I CB -0.346 37.742 38.000 0.147 0.000 1.040 346 I HN 0.293 nan 8.210 nan 0.000 0.405 347 L N 0.244 121.544 121.223 0.128 0.000 2.083 347 L HA -0.241 4.140 4.340 0.069 0.000 0.209 347 L C 2.340 179.317 176.870 0.177 0.000 1.083 347 L CA 1.664 56.646 54.840 0.236 0.000 0.752 347 L CB -0.822 41.433 42.059 0.326 0.000 0.899 347 L HN 0.416 nan 8.230 nan 0.000 0.433 348 N N -0.012 118.562 118.700 -0.210 0.000 2.058 348 N HA -0.176 4.605 4.740 0.069 0.000 0.191 348 N C 1.844 177.361 175.510 0.013 0.000 1.037 348 N CA 1.516 54.407 53.050 -0.265 0.000 0.848 348 N CB 0.126 38.270 38.487 -0.572 0.000 1.021 348 N HN 0.037 nan 8.380 nan 0.000 0.422 349 V N -0.005 119.933 119.914 0.040 0.000 2.358 349 V HA -0.186 3.975 4.120 0.069 0.000 0.246 349 V C 1.917 178.085 176.094 0.124 0.000 1.047 349 V CA 1.754 64.099 62.300 0.075 0.000 1.035 349 V CB -0.897 30.979 31.823 0.087 0.000 0.658 349 V HN 0.537 nan 8.190 nan 0.000 0.452 350 W N 0.392 121.707 121.300 0.024 0.000 2.335 350 W HA -0.218 4.481 4.660 0.065 0.000 0.311 350 W C 2.154 178.667 176.519 -0.011 0.000 1.213 350 W CA 1.754 59.114 57.345 0.027 0.000 1.274 350 W CB -0.436 29.052 29.460 0.046 0.000 1.148 350 W HN 0.185 nan 8.180 nan 0.000 0.498 351 L N 0.773 122.003 121.223 0.013 0.000 2.046 351 L HA -0.167 4.214 4.340 0.069 0.000 0.208 351 L C 2.392 179.113 176.870 -0.248 0.000 1.077 351 L CA 2.729 57.410 54.840 -0.266 0.000 0.747 351 L CB -1.480 40.627 42.059 0.079 0.000 0.896 351 L HN -0.015 nan 8.230 nan 0.000 0.432 352 T N -1.565 112.938 114.554 -0.085 0.000 2.720 352 T HA -0.205 4.186 4.350 0.069 0.000 0.268 352 T C 2.106 176.730 174.700 -0.127 0.000 1.037 352 T CA 1.694 63.758 62.100 -0.059 0.000 1.144 352 T CB -0.340 68.528 68.868 -0.001 0.000 0.864 352 T HN 0.438 nan 8.240 nan 0.000 0.444 353 S N 0.146 115.742 115.700 -0.173 0.000 2.383 353 S HA -0.037 4.474 4.470 0.069 0.000 0.227 353 S C 2.115 176.539 174.600 -0.293 0.000 1.026 353 S CA 0.733 58.823 58.200 -0.184 0.000 0.981 353 S CB -0.289 62.824 63.200 -0.144 0.000 0.818 353 S HN 0.203 nan 8.310 nan 0.000 0.472 354 M N 1.011 120.300 119.600 -0.518 0.000 2.132 354 M HA 0.049 4.570 4.480 0.069 0.000 0.263 354 M C 2.097 178.178 176.300 -0.365 0.000 1.065 354 M CA 1.198 56.157 55.300 -0.567 0.000 1.122 354 M CB -1.387 30.605 32.600 -1.012 0.000 1.365 354 M HN 0.367 nan 8.290 nan 0.000 0.411 355 L N -0.415 120.637 121.223 -0.285 0.000 2.083 355 L HA -0.221 4.160 4.340 0.069 0.000 0.209 355 L C 2.534 179.329 176.870 -0.125 0.000 1.083 355 L CA 1.172 55.916 54.840 -0.161 0.000 0.752 355 L CB -0.693 41.321 42.059 -0.075 0.000 0.899 355 L HN 0.316 nan 8.230 nan 0.000 0.433 356 K N 0.515 120.844 120.400 -0.119 0.000 2.097 356 K HA -0.166 4.195 4.320 0.069 0.000 0.206 356 K C 2.187 178.724 176.600 -0.106 0.000 1.049 356 K CA 1.311 57.546 56.287 -0.087 0.000 0.933 356 K CB 0.081 32.537 32.500 -0.073 0.000 0.717 356 K HN 0.197 nan 8.250 nan 0.000 0.442 357 R N -0.455 119.959 120.500 -0.144 0.000 2.240 357 R HA -0.010 4.371 4.340 0.069 0.000 0.203 357 R C 1.664 177.841 176.300 -0.206 0.000 1.011 357 R CA 1.410 57.421 56.100 -0.148 0.000 1.007 357 R CB 0.305 30.514 30.300 -0.151 0.000 0.911 357 R HN 0.441 nan 8.270 nan 0.000 0.468 358 T N -3.633 110.771 114.554 -0.249 0.000 3.463 358 T HA 0.087 4.478 4.350 0.069 0.000 0.203 358 T C 1.749 176.313 174.700 -0.226 0.000 0.955 358 T CA 0.045 61.943 62.100 -0.338 0.000 1.230 358 T CB -0.569 67.980 68.868 -0.531 0.000 1.392 358 T HN -0.156 nan 8.240 nan 0.000 0.361 359 V N 2.264 122.067 119.914 -0.185 0.000 2.358 359 V HA -0.100 4.061 4.120 0.069 0.000 0.246 359 V C 2.953 178.986 176.094 -0.101 0.000 1.047 359 V CA 1.491 63.704 62.300 -0.145 0.000 1.035 359 V CB -1.017 30.752 31.823 -0.091 0.000 0.658 359 V HN 0.416 nan 8.190 nan 0.000 0.452 360 V N 0.674 120.565 119.914 -0.039 0.000 2.282 360 V HA -0.316 3.845 4.120 0.069 0.000 0.249 360 V C 2.749 178.820 176.094 -0.039 0.000 1.057 360 V CA 2.304 64.606 62.300 0.003 0.000 1.032 360 V CB -1.193 30.634 31.823 0.006 0.000 0.645 360 V HN 0.575 nan 8.190 nan 0.000 0.447 361 A N -0.425 122.353 122.820 -0.071 0.000 2.015 361 A HA 0.019 4.380 4.320 0.069 0.000 0.219 361 A C 2.262 179.800 177.584 -0.076 0.000 1.163 361 A CA 1.733 53.727 52.037 -0.071 0.000 0.646 361 A CB -0.521 18.430 19.000 -0.083 0.000 0.806 361 A HN 0.598 nan 8.150 nan 0.000 0.448 362 A N -0.873 121.888 122.820 -0.099 0.000 2.169 362 A HA 0.412 4.773 4.320 0.069 0.000 0.212 362 A C 0.656 178.179 177.584 -0.103 0.000 1.153 362 A CA 0.487 52.463 52.037 -0.102 0.000 0.756 362 A CB -0.155 18.770 19.000 -0.125 0.000 0.813 362 A HN 0.267 nan 8.150 nan 0.000 0.471 363 V N 2.379 122.237 119.914 -0.094 0.000 2.398 363 V HA 0.304 4.465 4.120 0.069 0.000 0.286 363 V C -2.412 173.662 176.094 -0.034 0.000 1.026 363 V CA -2.084 60.169 62.300 -0.079 0.000 0.868 363 V CB 1.341 33.130 31.823 -0.057 0.000 0.982 363 V HN 0.205 nan 8.190 nan 0.000 0.443 364 P HA 0.131 nan 4.420 nan 0.000 0.266 364 P C -0.328 177.000 177.300 0.046 0.000 1.195 364 P CA -0.023 63.086 63.100 0.014 0.000 0.768 364 P CB 0.426 32.144 31.700 0.029 0.000 0.838 365 M N 4.391 123.980 119.600 -0.019 0.000 2.243 365 M HA 0.156 4.677 4.480 0.069 0.000 0.341 365 M C -1.266 174.927 176.300 -0.177 0.000 1.130 365 M CA -1.151 54.082 55.300 -0.110 0.000 1.162 365 M CB 0.220 32.759 32.600 -0.101 0.000 1.497 365 M HN 0.275 nan 8.290 nan 0.000 0.456 366 P HA 0.149 nan 4.420 nan 0.000 0.268 366 P C 0.469 177.336 177.300 -0.723 0.000 1.329 366 P CA 0.412 63.202 63.100 -0.518 0.000 0.899 366 P CB 0.006 31.370 31.700 -0.561 0.000 1.378 367 F N 2.113 121.707 119.950 -0.594 0.000 2.293 367 F HA -0.135 4.433 4.527 0.068 0.000 0.300 367 F C 2.190 177.621 175.800 -0.615 0.000 1.086 367 F CA 1.189 58.523 58.000 -1.109 0.000 1.375 367 F CB -1.075 37.288 39.000 -1.061 0.000 1.045 367 F HN -0.005 nan 8.300 nan 0.000 0.516 368 D N 0.786 121.106 120.400 -0.132 0.000 2.149 368 D HA -0.235 4.446 4.640 0.069 0.000 0.194 368 D C 1.550 177.873 176.300 0.038 0.000 1.001 368 D CA 1.306 55.319 54.000 0.022 0.000 0.849 368 D CB -0.615 40.176 40.800 -0.015 0.000 0.939 368 D HN 0.103 nan 8.370 nan 0.000 0.449 369 K N -0.089 120.274 120.400 -0.062 0.000 2.360 369 K HA -0.116 4.245 4.320 0.069 0.000 0.201 369 K C 1.819 178.489 176.600 0.118 0.000 1.046 369 K CA 0.449 56.748 56.287 0.019 0.000 0.940 369 K CB -0.688 31.820 32.500 0.012 0.000 0.748 369 K HN 0.440 nan 8.250 nan 0.000 0.465 370 W N -0.225 120.986 121.300 -0.148 0.000 2.465 370 W HA -0.058 4.644 4.660 0.069 0.000 0.268 370 W C 0.875 177.085 176.519 -0.515 0.000 1.242 370 W CA 0.352 57.490 57.345 -0.344 0.000 1.248 370 W CB -0.766 28.294 29.460 -0.668 0.000 1.118 370 W HN 0.091 nan 8.180 nan 0.000 0.587 371 Y N 0.076 120.522 120.300 0.243 0.000 2.607 371 Y HA 0.066 4.660 4.550 0.072 0.000 0.266 371 Y C 2.116 178.069 175.900 0.089 0.000 1.178 371 Y CA 0.394 58.590 58.100 0.159 0.000 1.226 371 Y CB -0.491 38.030 38.460 0.102 0.000 1.144 371 Y HN -0.103 nan 8.280 nan 0.000 0.528 372 S N -1.042 114.746 115.700 0.146 0.000 2.517 372 S HA 0.385 4.896 4.470 0.069 0.000 0.214 372 S C 1.070 175.716 174.600 0.076 0.000 0.991 372 S CA -0.070 58.184 58.200 0.091 0.000 0.906 372 S CB -0.074 63.164 63.200 0.064 0.000 0.789 372 S HN 0.159 nan 8.310 nan 0.000 0.513 373 A N 2.123 124.996 122.820 0.088 0.000 2.440 373 A HA 0.545 4.906 4.320 0.069 0.000 0.251 373 A C 1.272 178.913 177.584 0.095 0.000 1.089 373 A CA 0.102 52.191 52.037 0.086 0.000 0.779 373 A CB 0.307 19.353 19.000 0.077 0.000 1.022 373 A HN 0.652 nan 8.150 nan 0.000 0.492 374 S N 1.686 117.461 115.700 0.125 0.000 2.524 374 S HA 0.381 4.893 4.470 0.069 0.000 0.216 374 S C 1.339 176.034 174.600 0.158 0.000 0.987 374 S CA 0.882 59.190 58.200 0.180 0.000 0.909 374 S CB 0.043 63.411 63.200 0.279 0.000 0.781 374 S HN 2.528 nan 8.310 nan 0.000 0.521 375 G N 0.179 109.028 108.800 0.083 0.000 2.176 375 G HA2 -0.265 3.736 3.960 0.069 0.000 0.232 375 G HA3 -0.265 3.736 3.960 0.069 0.000 0.232 375 G C 0.273 175.092 174.900 -0.134 0.000 0.986 375 G CA 0.288 45.351 45.100 -0.062 0.000 0.643 375 G HN 0.574 nan 8.290 nan 0.000 0.522 376 Y N 0.902 121.246 120.300 0.072 0.000 2.467 376 Y HA 0.438 5.025 4.550 0.061 0.000 0.250 376 Y C 1.120 177.051 175.900 0.053 0.000 1.155 376 Y CA -0.119 58.029 58.100 0.079 0.000 1.249 376 Y CB 0.527 39.059 38.460 0.119 0.000 1.146 376 Y HN 0.237 nan 8.280 nan 0.000 0.524 377 E N 1.486 121.783 120.200 0.160 0.000 2.493 377 E HA 0.147 4.538 4.350 0.069 0.000 0.255 377 E C 0.356 176.994 176.600 0.064 0.000 0.999 377 E CA 0.471 56.932 56.400 0.103 0.000 0.934 377 E CB 0.297 30.045 29.700 0.079 0.000 0.940 377 E HN 0.271 nan 8.360 nan 0.000 0.473 378 T N -0.660 113.926 114.554 0.052 0.000 2.821 378 T HA 0.591 4.982 4.350 0.069 0.000 0.306 378 T C 0.015 174.730 174.700 0.026 0.000 1.313 378 T CA -0.991 61.124 62.100 0.024 0.000 1.012 378 T CB 1.264 70.126 68.868 -0.010 0.000 1.298 378 T HN 0.329 nan 8.240 nan 0.000 0.502 379 T N -0.632 113.938 114.554 0.026 0.000 2.849 379 T HA 0.374 4.765 4.350 0.069 0.000 0.276 379 T C 1.080 175.790 174.700 0.017 0.000 0.971 379 T CA -0.458 61.659 62.100 0.029 0.000 0.949 379 T CB 0.951 69.847 68.868 0.047 0.000 1.093 379 T HN 0.739 nan 8.240 nan 0.000 0.545 380 Q N -0.385 119.426 119.800 0.019 0.000 2.435 380 Q HA -0.019 4.362 4.340 0.069 0.000 0.207 380 Q C 1.077 177.097 176.000 0.034 0.000 0.956 380 Q CA 1.110 56.917 55.803 0.007 0.000 0.917 380 Q CB -0.394 28.341 28.738 -0.005 0.000 0.997 380 Q HN 0.627 nan 8.270 nan 0.000 0.497 381 D N 0.001 120.441 120.400 0.067 0.000 2.363 381 D HA 0.151 4.832 4.640 0.069 0.000 0.220 381 D C 0.520 176.860 176.300 0.067 0.000 0.994 381 D CA 1.114 55.181 54.000 0.111 0.000 0.890 381 D CB 0.026 40.905 40.800 0.132 0.000 0.906 381 D HN 0.396 nan 8.370 nan 0.000 0.530 382 G N 0.720 109.535 108.800 0.025 0.000 2.756 382 G HA2 -0.183 3.818 3.960 0.069 0.000 0.678 382 G HA3 -0.183 3.818 3.960 0.069 0.000 0.678 382 G C -2.672 172.214 174.900 -0.023 0.000 1.349 382 G CA -1.203 43.882 45.100 -0.025 0.000 0.847 382 G HN -0.063 nan 8.290 nan 0.000 0.548 383 P HA 0.157 nan 4.420 nan 0.000 0.264 383 P C 1.374 178.793 177.300 0.199 0.000 1.183 383 P CA 0.899 63.971 63.100 -0.047 0.000 0.763 383 P CB 0.523 32.031 31.700 -0.320 0.000 0.807 384 T N -0.126 114.551 114.554 0.205 0.000 3.055 384 T HA 0.194 4.585 4.350 0.069 0.000 0.265 384 T C 0.977 175.845 174.700 0.281 0.000 1.111 384 T CA 0.887 63.130 62.100 0.238 0.000 1.118 384 T CB -0.268 68.705 68.868 0.174 0.000 0.909 384 T HN 0.480 nan 8.240 nan 0.000 0.501 385 G N 1.121 110.108 108.800 0.313 0.000 3.039 385 G HA2 0.503 4.504 3.960 0.069 0.000 0.202 385 G HA3 0.503 4.504 3.960 0.069 0.000 0.202 385 G C -0.599 174.538 174.900 0.394 0.000 1.151 385 G CA -0.180 45.036 45.100 0.193 0.000 0.836 385 G HN 0.512 nan 8.290 nan 0.000 0.598 386 S N -0.600 115.252 115.700 0.252 0.000 2.593 386 S HA 0.551 5.062 4.470 0.069 0.000 0.269 386 S C 0.042 174.785 174.600 0.238 0.000 1.334 386 S CA -0.374 58.031 58.200 0.342 0.000 1.015 386 S CB 0.689 64.043 63.200 0.255 0.000 0.912 386 S HN 0.508 nan 8.310 nan 0.000 0.541 387 L N 2.238 123.602 121.223 0.234 0.000 2.334 387 L HA 0.524 4.905 4.340 0.069 0.000 0.277 387 L C 0.610 177.396 176.870 -0.140 0.000 1.075 387 L CA -0.440 54.424 54.840 0.039 0.000 0.804 387 L CB 0.946 43.023 42.059 0.029 0.000 1.174 387 L HN 0.853 nan 8.230 nan 0.000 0.438 388 N N 0.952 119.543 118.700 -0.182 0.000 2.697 388 N HA 0.532 5.313 4.740 0.069 0.000 0.272 388 N C -1.111 174.262 175.510 -0.227 0.000 1.381 388 N CA -0.911 51.977 53.050 -0.269 0.000 0.797 388 N CB 1.866 40.215 38.487 -0.229 0.000 1.523 388 N HN 0.365 nan 8.380 nan 0.000 0.518 389 I N 1.775 122.212 120.570 -0.221 0.000 2.533 389 I HA 0.029 4.240 4.170 0.069 0.000 0.284 389 I C 0.869 176.932 176.117 -0.090 0.000 1.109 389 I CA -0.005 61.217 61.300 -0.131 0.000 1.412 389 I CB 0.778 38.701 38.000 -0.129 0.000 1.396 389 I HN 0.456 nan 8.210 nan 0.000 0.543 390 S N 5.098 120.784 115.700 -0.023 0.000 2.589 390 S HA 0.057 4.568 4.470 0.069 0.000 0.265 390 S C 1.160 175.782 174.600 0.037 0.000 1.342 390 S CA -0.547 57.656 58.200 0.005 0.000 1.005 390 S CB 1.416 64.646 63.200 0.051 0.000 0.909 390 S HN 0.542 nan 8.310 nan 0.000 0.555 391 V N 2.669 122.610 119.914 0.045 0.000 2.332 391 V HA -0.009 4.152 4.120 0.069 0.000 0.248 391 V C 2.257 178.483 176.094 0.221 0.000 1.055 391 V CA 2.702 65.065 62.300 0.106 0.000 1.038 391 V CB -1.446 30.458 31.823 0.135 0.000 0.651 391 V HN 1.075 nan 8.190 nan 0.000 0.450 392 G N -1.271 107.676 108.800 0.244 0.000 2.421 392 G HA2 -0.102 3.899 3.960 0.069 0.000 0.217 392 G HA3 -0.102 3.899 3.960 0.069 0.000 0.217 392 G C 1.719 176.737 174.900 0.197 0.000 1.143 392 G CA 0.829 46.095 45.100 0.277 0.000 0.784 392 G HN 0.733 nan 8.290 nan 0.000 0.541 393 A N 0.767 123.701 122.820 0.191 0.000 1.969 393 A HA 0.078 4.439 4.320 0.069 0.000 0.218 393 A C 2.260 180.057 177.584 0.355 0.000 1.169 393 A CA 1.727 53.940 52.037 0.293 0.000 0.635 393 A CB -0.255 18.944 19.000 0.332 0.000 0.810 393 A HN 0.362 nan 8.150 nan 0.000 0.445 394 K N -0.447 120.078 120.400 0.208 0.000 2.148 394 K HA 0.025 4.386 4.320 0.069 0.000 0.204 394 K C 1.656 178.393 176.600 0.229 0.000 1.050 394 K CA 1.283 57.674 56.287 0.174 0.000 0.942 394 K CB -0.263 32.276 32.500 0.065 0.000 0.724 394 K HN 0.529 nan 8.250 nan 0.000 0.446 395 I N 0.683 121.372 120.570 0.198 0.000 2.286 395 I HA -0.236 3.975 4.170 0.069 0.000 0.245 395 I C 2.204 178.428 176.117 0.178 0.000 1.104 395 I CA 0.578 61.970 61.300 0.155 0.000 1.397 395 I CB -0.104 37.953 38.000 0.096 0.000 1.072 395 I HN 0.106 nan 8.210 nan 0.000 0.417 396 L N 0.072 121.424 121.223 0.216 0.000 2.131 396 L HA -0.251 4.130 4.340 0.069 0.000 0.210 396 L C 2.440 179.561 176.870 0.418 0.000 1.092 396 L CA 1.802 56.788 54.840 0.245 0.000 0.759 396 L CB -0.857 41.310 42.059 0.179 0.000 0.903 396 L HN 0.223 nan 8.230 nan 0.000 0.435 397 Y N 0.356 120.871 120.300 0.358 0.000 2.224 397 Y HA -0.210 4.382 4.550 0.071 0.000 0.289 397 Y C 2.372 178.367 175.900 0.158 0.000 1.146 397 Y CA 1.914 60.164 58.100 0.250 0.000 1.182 397 Y CB -0.012 38.479 38.460 0.052 0.000 0.983 397 Y HN 0.289 nan 8.280 nan 0.000 0.524 398 E N 0.343 120.660 120.200 0.194 0.000 2.051 398 E HA -0.216 4.175 4.350 0.069 0.000 0.192 398 E C 2.462 179.081 176.600 0.032 0.000 0.991 398 E CA 1.201 57.636 56.400 0.058 0.000 0.799 398 E CB -0.903 28.857 29.700 0.100 0.000 0.748 398 E HN 0.557 nan 8.360 nan 0.000 0.449 399 A N 1.488 124.380 122.820 0.121 0.000 1.908 399 A HA -0.162 4.199 4.320 0.069 0.000 0.218 399 A C 2.514 180.200 177.584 0.169 0.000 1.181 399 A CA 2.136 54.278 52.037 0.175 0.000 0.627 399 A CB -0.864 18.299 19.000 0.273 0.000 0.818 399 A HN 0.226 nan 8.150 nan 0.000 0.445 400 V N -2.910 117.116 119.914 0.186 0.000 3.141 400 V HA -0.113 4.048 4.120 0.069 0.000 0.265 400 V C 1.668 177.723 176.094 -0.064 0.000 1.126 400 V CA 1.768 64.131 62.300 0.106 0.000 1.141 400 V CB -0.696 31.280 31.823 0.255 0.000 0.743 400 V HN 0.495 nan 8.190 nan 0.000 0.492 401 Q N 1.001 120.699 119.800 -0.170 0.000 2.435 401 Q HA 0.199 4.580 4.340 0.069 0.000 0.207 401 Q C 1.740 177.679 176.000 -0.101 0.000 0.956 401 Q CA 0.891 56.568 55.803 -0.210 0.000 0.917 401 Q CB 0.002 28.551 28.738 -0.315 0.000 0.997 401 Q HN 0.904 nan 8.270 nan 0.000 0.497 402 G N 2.651 111.417 108.800 -0.056 0.000 2.634 402 G HA2 -0.397 3.604 3.960 0.069 0.000 0.309 402 G HA3 -0.397 3.604 3.960 0.069 0.000 0.309 402 G C 0.183 175.067 174.900 -0.026 0.000 1.265 402 G CA 0.677 45.756 45.100 -0.035 0.000 0.998 402 G HN 0.519 nan 8.290 nan 0.000 0.551 403 D N 0.225 120.611 120.400 -0.024 0.000 2.319 403 D HA 0.212 4.893 4.640 0.069 0.000 0.230 403 D C 1.662 177.952 176.300 -0.018 0.000 1.094 403 D CA 0.640 54.631 54.000 -0.015 0.000 0.856 403 D CB 0.373 41.167 40.800 -0.010 0.000 0.915 403 D HN 0.324 nan 8.370 nan 0.000 0.517 404 K N 0.161 120.543 120.400 -0.030 0.000 2.288 404 K HA 0.021 4.382 4.320 0.069 0.000 0.201 404 K C 0.553 177.140 176.600 -0.021 0.000 1.048 404 K CA 0.185 56.455 56.287 -0.029 0.000 0.956 404 K CB -0.048 32.425 32.500 -0.046 0.000 0.746 404 K HN 0.217 nan 8.250 nan 0.000 0.461 405 S N 1.785 117.472 115.700 -0.022 0.000 2.545 405 S HA 0.174 4.685 4.470 0.069 0.000 0.275 405 S C -1.714 172.895 174.600 0.015 0.000 1.299 405 S CA -1.327 56.872 58.200 -0.001 0.000 1.048 405 S CB 1.104 64.302 63.200 -0.004 0.000 0.938 405 S HN 0.024 nan 8.310 nan 0.000 0.496 406 P HA 0.198 nan 4.420 nan 0.000 0.249 406 P C -0.329 176.990 177.300 0.033 0.000 1.229 406 P CA 0.081 63.198 63.100 0.029 0.000 0.788 406 P CB -0.007 31.715 31.700 0.036 0.000 1.072 407 I N 2.556 123.147 120.570 0.036 0.000 2.304 407 I HA 0.290 4.501 4.170 0.069 0.000 0.291 407 I C -2.309 173.824 176.117 0.028 0.000 1.018 407 I CA -3.610 57.712 61.300 0.037 0.000 1.260 407 I CB 0.571 38.600 38.000 0.048 0.000 1.390 407 I HN -0.222 nan 8.210 nan 0.000 0.475 408 P HA 0.021 nan 4.420 nan 0.000 0.261 408 P C -0.425 176.885 177.300 0.016 0.000 1.183 408 P CA -0.133 62.977 63.100 0.017 0.000 0.761 408 P CB 0.315 32.024 31.700 0.014 0.000 0.785 409 Q N 2.718 122.529 119.800 0.019 0.000 2.553 409 Q HA 0.215 4.596 4.340 0.069 0.000 0.221 409 Q C 1.275 177.281 176.000 0.011 0.000 1.219 409 Q CA -0.170 55.645 55.803 0.020 0.000 0.955 409 Q CB 0.586 29.346 28.738 0.037 0.000 1.399 409 Q HN 0.490 nan 8.270 nan 0.000 0.551 410 A N 2.276 125.096 122.820 0.000 0.000 1.902 410 A HA -0.068 4.293 4.320 0.069 0.000 0.217 410 A C 0.996 178.574 177.584 -0.010 0.000 1.181 410 A CA 0.922 52.955 52.037 -0.006 0.000 0.623 410 A CB 0.363 19.354 19.000 -0.015 0.000 0.818 410 A HN 0.413 nan 8.150 nan 0.000 0.443 411 V N 0.928 120.832 119.914 -0.017 0.000 2.417 411 V HA 0.402 4.563 4.120 0.069 0.000 0.291 411 V C -1.228 174.865 176.094 -0.002 0.000 1.024 411 V CA -0.958 61.331 62.300 -0.019 0.000 0.861 411 V CB 1.449 33.247 31.823 -0.041 0.000 0.985 411 V HN 0.425 nan 8.190 nan 0.000 0.436 412 D N 5.737 126.147 120.400 0.017 0.000 2.363 412 D HA 0.047 4.728 4.640 0.069 0.000 0.263 412 D C 0.873 177.193 176.300 0.034 0.000 1.258 412 D CA -0.122 53.912 54.000 0.057 0.000 0.907 412 D CB 1.232 42.077 40.800 0.076 0.000 1.107 412 D HN 0.375 nan 8.370 nan 0.000 0.495 413 L N 3.943 125.176 121.223 0.017 0.000 2.275 413 L HA -0.040 4.341 4.340 0.069 0.000 0.215 413 L C 1.514 178.213 176.870 -0.286 0.000 1.119 413 L CA 0.987 55.735 54.840 -0.153 0.000 0.790 413 L CB -0.946 40.969 42.059 -0.239 0.000 0.919 413 L HN 0.491 nan 8.230 nan 0.000 0.443 414 F N 0.059 120.002 119.950 -0.011 0.000 2.773 414 F HA 0.343 4.911 4.527 0.069 0.000 0.304 414 F C 1.549 177.344 175.800 -0.008 0.000 1.129 414 F CA 0.186 58.182 58.000 -0.007 0.000 1.378 414 F CB -0.592 38.410 39.000 0.004 0.000 1.095 414 F HN 0.064 nan 8.300 nan 0.000 0.565 415 A N 0.540 123.412 122.820 0.087 0.000 2.511 415 A HA 0.005 4.366 4.320 0.069 0.000 0.297 415 A C 1.793 179.416 177.584 0.065 0.000 1.476 415 A CA 0.992 53.058 52.037 0.049 0.000 0.757 415 A CB -1.840 17.166 19.000 0.009 0.000 1.072 415 A HN 1.390 nan 8.150 nan 0.000 0.413 416 G N -1.582 107.266 108.800 0.080 0.000 2.234 416 G HA2 -0.302 3.699 3.960 0.069 0.000 0.260 416 G HA3 -0.302 3.699 3.960 0.069 0.000 0.260 416 G C 0.266 175.205 174.900 0.064 0.000 0.987 416 G CA 1.087 46.221 45.100 0.058 0.000 0.625 416 G HN 1.124 nan 8.290 nan 0.000 0.532 417 K N 1.164 121.624 120.400 0.100 0.000 2.087 417 K HA 0.503 4.864 4.320 0.069 0.000 0.255 417 K C -2.501 174.139 176.600 0.066 0.000 0.988 417 K CA -1.904 54.436 56.287 0.087 0.000 0.915 417 K CB 0.932 33.501 32.500 0.115 0.000 1.043 417 K HN -0.004 nan 8.250 nan 0.000 0.457 418 P HA -0.018 nan 4.420 nan 0.000 0.264 418 P C 0.010 177.254 177.300 -0.094 0.000 1.193 418 P CA 0.185 63.258 63.100 -0.045 0.000 0.763 418 P CB 0.557 32.242 31.700 -0.026 0.000 0.810 419 Q N 1.753 121.362 119.800 -0.318 0.000 2.096 419 Q HA -0.277 4.104 4.340 0.069 0.000 0.204 419 Q C 2.022 177.929 176.000 -0.155 0.000 0.982 419 Q CA 1.550 56.980 55.803 -0.621 0.000 0.850 419 Q CB -0.169 28.030 28.738 -0.899 0.000 0.901 419 Q HN 0.605 nan 8.270 nan 0.000 0.422 420 Q N 1.007 120.758 119.800 -0.082 0.000 2.112 420 Q HA -0.270 4.111 4.340 0.069 0.000 0.206 420 Q C 1.974 178.012 176.000 0.064 0.000 0.987 420 Q CA 1.733 57.542 55.803 0.010 0.000 0.858 420 Q CB -0.041 28.695 28.738 -0.004 0.000 0.905 420 Q HN 0.390 nan 8.270 nan 0.000 0.420 421 E N -0.693 119.539 120.200 0.053 0.000 2.058 421 E HA -0.191 4.200 4.350 0.069 0.000 0.194 421 E C 1.947 178.624 176.600 0.128 0.000 0.997 421 E CA 1.614 58.062 56.400 0.079 0.000 0.801 421 E CB 0.065 29.804 29.700 0.066 0.000 0.746 421 E HN 0.317 nan 8.360 nan 0.000 0.450 422 V N 0.581 120.605 119.914 0.183 0.000 2.358 422 V HA -0.231 3.931 4.120 0.069 0.000 0.246 422 V C 2.482 178.719 176.094 0.238 0.000 1.047 422 V CA 1.376 63.816 62.300 0.232 0.000 1.035 422 V CB -0.313 31.747 31.823 0.396 0.000 0.658 422 V HN 0.200 nan 8.190 nan 0.000 0.452 423 V N -0.130 119.968 119.914 0.306 0.000 2.287 423 V HA -0.288 3.873 4.120 0.069 0.000 0.248 423 V C 2.333 178.658 176.094 0.384 0.000 1.053 423 V CA 2.162 64.726 62.300 0.440 0.000 1.027 423 V CB -0.541 31.517 31.823 0.392 0.000 0.646 423 V HN 0.445 nan 8.190 nan 0.000 0.447 424 L N -0.208 121.153 121.223 0.230 0.000 2.083 424 L HA -0.148 4.234 4.340 0.069 0.000 0.209 424 L C 2.667 179.640 176.870 0.173 0.000 1.083 424 L CA 1.444 56.388 54.840 0.173 0.000 0.752 424 L CB -0.720 41.403 42.059 0.105 0.000 0.899 424 L HN 0.383 nan 8.230 nan 0.000 0.433 425 A N -0.065 122.846 122.820 0.152 0.000 1.930 425 A HA -0.105 4.256 4.320 0.069 0.000 0.217 425 A C 2.517 180.181 177.584 0.134 0.000 1.175 425 A CA 1.477 53.587 52.037 0.121 0.000 0.627 425 A CB -0.548 18.504 19.000 0.087 0.000 0.815 425 A HN 0.386 nan 8.150 nan 0.000 0.443 426 A N -0.342 122.567 122.820 0.148 0.000 1.972 426 A HA -0.005 4.356 4.320 0.069 0.000 0.219 426 A C 2.125 179.900 177.584 0.318 0.000 1.169 426 A CA 1.366 53.468 52.037 0.108 0.000 0.635 426 A CB -0.514 18.372 19.000 -0.191 0.000 0.810 426 A HN 0.468 nan 8.150 nan 0.000 0.446 427 L N -1.005 120.474 121.223 0.426 0.000 2.093 427 L HA -0.176 4.205 4.340 0.069 0.000 0.208 427 L C 2.613 179.659 176.870 0.294 0.000 1.085 427 L CA 1.686 56.753 54.840 0.379 0.000 0.755 427 L CB -0.341 41.863 42.059 0.241 0.000 0.904 427 L HN 0.596 nan 8.230 nan 0.000 0.435 428 E N 0.198 120.539 120.200 0.234 0.000 2.051 428 E HA -0.248 4.143 4.350 0.069 0.000 0.192 428 E C 1.623 178.365 176.600 0.236 0.000 0.991 428 E CA 1.514 58.050 56.400 0.226 0.000 0.799 428 E CB 0.154 29.949 29.700 0.158 0.000 0.748 428 E HN 0.394 nan 8.360 nan 0.000 0.449 429 D N -0.229 120.278 120.400 0.179 0.000 2.149 429 D HA -0.135 4.546 4.640 0.069 0.000 0.198 429 D C 1.921 178.315 176.300 0.157 0.000 0.990 429 D CA 1.590 55.670 54.000 0.134 0.000 0.839 429 D CB -0.522 40.328 40.800 0.083 0.000 0.948 429 D HN 0.200 nan 8.370 nan 0.000 0.460 430 T N 0.275 114.967 114.554 0.230 0.000 2.708 430 T HA -0.165 4.226 4.350 0.069 0.000 0.266 430 T C 1.655 176.523 174.700 0.280 0.000 1.037 430 T CA 0.883 63.133 62.100 0.248 0.000 1.146 430 T CB -0.409 68.659 68.868 0.334 0.000 0.865 430 T HN 0.386 nan 8.240 nan 0.000 0.435 431 W N 2.408 123.807 121.300 0.165 0.000 2.335 431 W HA -0.189 4.512 4.660 0.069 0.000 0.311 431 W C 2.274 178.877 176.519 0.140 0.000 1.213 431 W CA 1.775 59.231 57.345 0.186 0.000 1.274 431 W CB -0.207 29.342 29.460 0.147 0.000 1.148 431 W HN 0.342 nan 8.180 nan 0.000 0.498 432 E N -0.235 119.988 120.200 0.037 0.000 2.038 432 E HA -0.227 4.164 4.350 0.069 0.000 0.195 432 E C 1.964 178.467 176.600 -0.161 0.000 1.000 432 E CA 2.516 58.855 56.400 -0.101 0.000 0.803 432 E CB -0.533 29.191 29.700 0.039 0.000 0.750 432 E HN 0.106 nan 8.360 nan 0.000 0.448 433 T N 1.777 116.281 114.554 -0.083 0.000 2.652 433 T HA -0.127 4.264 4.350 0.069 0.000 0.267 433 T C 2.009 176.590 174.700 -0.198 0.000 1.039 433 T CA 1.453 63.487 62.100 -0.109 0.000 1.153 433 T CB -0.203 68.638 68.868 -0.044 0.000 0.863 433 T HN 0.158 nan 8.240 nan 0.000 0.428 434 L N 1.290 122.393 121.223 -0.199 0.000 2.109 434 L HA -0.041 4.340 4.340 0.069 0.000 0.207 434 L C 2.911 179.430 176.870 -0.586 0.000 1.086 434 L CA 1.283 55.910 54.840 -0.355 0.000 0.760 434 L CB -0.634 41.254 42.059 -0.285 0.000 0.910 434 L HN 0.376 nan 8.230 nan 0.000 0.437 435 S N -0.842 114.486 115.700 -0.619 0.000 2.423 435 S HA -0.155 4.356 4.470 0.069 0.000 0.231 435 S C 2.007 176.362 174.600 -0.409 0.000 1.014 435 S CA 0.651 58.475 58.200 -0.627 0.000 0.965 435 S CB -0.194 62.284 63.200 -1.204 0.000 0.785 435 S HN 0.262 nan 8.310 nan 0.000 0.495 436 K N 1.253 121.433 120.400 -0.367 0.000 2.097 436 K HA 0.033 4.394 4.320 0.069 0.000 0.205 436 K C 2.477 178.890 176.600 -0.311 0.000 1.050 436 K CA 0.973 57.100 56.287 -0.268 0.000 0.938 436 K CB -0.235 32.135 32.500 -0.217 0.000 0.718 436 K HN 0.500 nan 8.250 nan 0.000 0.442 437 R N -0.734 119.505 120.500 -0.435 0.000 2.080 437 R HA -0.080 4.301 4.340 0.069 0.000 0.222 437 R C 1.126 176.988 176.300 -0.731 0.000 1.107 437 R CA 1.236 56.959 56.100 -0.629 0.000 0.980 437 R CB 0.125 29.915 30.300 -0.850 0.000 0.879 437 R HN 0.125 nan 8.270 nan 0.000 0.439 438 Y N -0.834 119.166 120.300 -0.500 0.000 2.481 438 Y HA 0.403 4.991 4.550 0.065 0.000 0.247 438 Y C 0.668 176.424 175.900 -0.241 0.000 1.151 438 Y CA 0.318 58.122 58.100 -0.493 0.000 1.238 438 Y CB 1.456 39.223 38.460 -1.156 0.000 1.179 438 Y HN 0.344 nan 8.280 nan 0.000 0.524 439 G N 0.641 109.417 108.800 -0.040 0.000 2.603 439 G HA2 -0.246 3.755 3.960 0.069 0.000 0.686 439 G HA3 -0.246 3.755 3.960 0.069 0.000 0.686 439 G C -0.158 174.915 174.900 0.288 0.000 1.286 439 G CA -0.439 44.736 45.100 0.124 0.000 0.871 439 G HN 0.115 nan 8.290 nan 0.000 0.568 440 N N 0.308 119.176 118.700 0.280 0.000 2.398 440 N HA 0.031 4.812 4.740 0.069 0.000 0.188 440 N C 0.784 176.550 175.510 0.427 0.000 1.122 440 N CA 0.351 53.646 53.050 0.408 0.000 0.866 440 N CB 0.138 38.834 38.487 0.347 0.000 0.970 440 N HN 0.509 nan 8.380 nan 0.000 0.462 441 N N 1.040 119.930 118.700 0.316 0.000 3.105 441 N HA 0.083 4.864 4.740 0.069 0.000 0.256 441 N C 0.950 176.354 175.510 -0.178 0.000 1.174 441 N CA -0.158 52.954 53.050 0.104 0.000 1.030 441 N CB 0.240 38.793 38.487 0.110 0.000 1.305 441 N HN -0.260 nan 8.380 nan 0.000 0.509 442 V N 1.560 121.127 119.914 -0.579 0.000 2.317 442 V HA -0.291 3.871 4.120 0.069 0.000 0.251 442 V C 1.916 177.518 176.094 -0.821 0.000 1.065 442 V CA 2.154 63.567 62.300 -1.478 0.000 1.049 442 V CB -0.640 30.558 31.823 -1.041 0.000 0.651 442 V HN 0.596 nan 8.190 nan 0.000 0.450 443 S N 0.900 116.371 115.700 -0.381 0.000 2.500 443 S HA -0.150 4.361 4.470 0.069 0.000 0.239 443 S C 1.325 175.866 174.600 -0.098 0.000 0.989 443 S CA 1.363 59.440 58.200 -0.205 0.000 0.951 443 S CB -0.716 62.411 63.200 -0.121 0.000 0.759 443 S HN 0.986 nan 8.310 nan 0.000 0.523 444 N N -0.848 117.838 118.700 -0.023 0.000 2.214 444 N HA 0.033 4.814 4.740 0.069 0.000 0.214 444 N C -0.905 174.728 175.510 0.205 0.000 1.132 444 N CA -0.503 52.597 53.050 0.084 0.000 0.856 444 N CB 0.084 38.630 38.487 0.097 0.000 1.020 444 N HN 0.192 nan 8.380 nan 0.000 0.509 445 W N 2.525 123.770 121.300 -0.090 0.000 2.368 445 W HA 0.248 4.949 4.660 0.068 0.000 0.316 445 W C 0.231 176.613 176.519 -0.229 0.000 1.375 445 W CA -0.838 56.375 57.345 -0.221 0.000 1.261 445 W CB 0.355 29.582 29.460 -0.388 0.000 1.298 445 W HN -0.070 nan 8.180 nan 0.000 0.539 446 K N 2.978 123.394 120.400 0.027 0.000 2.423 446 K HA 0.193 4.554 4.320 0.069 0.000 0.234 446 K C 0.348 176.944 176.600 -0.007 0.000 1.051 446 K CA -0.307 55.999 56.287 0.031 0.000 1.021 446 K CB 0.678 33.221 32.500 0.071 0.000 1.474 446 K HN 0.358 nan 8.250 nan 0.000 0.474 447 T N -0.158 114.354 114.554 -0.070 0.000 2.904 447 T HA 0.314 4.705 4.350 0.069 0.000 0.290 447 T C -2.203 172.489 174.700 -0.014 0.000 1.018 447 T CA -1.884 60.187 62.100 -0.049 0.000 1.075 447 T CB 0.847 69.673 68.868 -0.070 0.000 0.986 447 T HN 0.178 nan 8.240 nan 0.000 0.523 448 P HA 0.369 nan 4.420 nan 0.000 0.276 448 P C -0.690 176.301 177.300 -0.515 0.000 1.230 448 P CA -0.408 62.580 63.100 -0.186 0.000 0.776 448 P CB 0.517 32.147 31.700 -0.118 0.000 0.888 449 A N 4.390 126.752 122.820 -0.763 0.000 2.293 449 A HA 0.551 4.912 4.320 0.069 0.000 0.302 449 A C 0.436 177.507 177.584 -0.855 0.000 1.119 449 A CA -0.794 50.265 52.037 -1.631 0.000 0.823 449 A CB 0.229 18.447 19.000 -1.303 0.000 1.097 449 A HN 0.531 nan 8.150 nan 0.000 0.491 450 M N 1.130 120.272 119.600 -0.763 0.000 2.242 450 M HA 0.424 4.945 4.480 0.069 0.000 0.344 450 M C 0.485 176.762 176.300 -0.037 0.000 1.140 450 M CA 0.233 55.421 55.300 -0.187 0.000 1.160 450 M CB 1.133 33.761 32.600 0.048 0.000 1.491 450 M HN 0.834 nan 8.290 nan 0.000 0.459 451 A N 2.897 125.716 122.820 -0.002 0.000 2.313 451 A HA 0.891 5.252 4.320 0.069 0.000 0.323 451 A C -1.502 176.124 177.584 0.070 0.000 1.133 451 A CA -0.775 51.288 52.037 0.043 0.000 0.847 451 A CB 1.221 20.232 19.000 0.018 0.000 1.308 451 A HN 0.834 nan 8.150 nan 0.000 0.475 452 L N -0.066 121.158 121.223 0.001 0.000 2.362 452 L HA 0.751 5.132 4.340 0.069 0.000 0.271 452 L C -0.888 175.877 176.870 -0.174 0.000 1.002 452 L CA -0.005 54.716 54.840 -0.199 0.000 0.818 452 L CB 2.428 44.203 42.059 -0.474 0.000 1.298 452 L HN 0.689 nan 8.230 nan 0.000 0.420 453 T N 4.033 118.437 114.554 -0.251 0.000 2.881 453 T HA 0.439 4.830 4.350 0.069 0.000 0.291 453 T C -0.811 173.755 174.700 -0.225 0.000 0.990 453 T CA -0.103 61.877 62.100 -0.200 0.000 0.976 453 T CB 0.662 69.467 68.868 -0.105 0.000 0.970 453 T HN 0.232 nan 8.240 nan 0.000 0.438 454 F N 3.373 123.220 119.950 -0.171 0.000 2.462 454 F HA 0.348 4.938 4.527 0.104 0.000 0.354 454 F C 1.342 177.099 175.800 -0.072 0.000 1.192 454 F CA -0.831 57.117 58.000 -0.087 0.000 1.173 454 F CB 0.069 39.016 39.000 -0.088 0.000 1.402 454 F HN 0.203 nan 8.300 nan 0.000 0.595 455 R N 1.167 121.720 120.500 0.087 0.000 2.643 455 R HA 0.315 4.696 4.340 0.069 0.000 0.270 455 R C 1.096 177.546 176.300 0.249 0.000 1.061 455 R CA 0.176 56.366 56.100 0.150 0.000 1.107 455 R CB 0.666 31.080 30.300 0.189 0.000 0.999 455 R HN 0.712 nan 8.270 nan 0.000 0.460 456 A N 2.588 125.523 122.820 0.192 0.000 2.178 456 A HA 0.027 4.388 4.320 0.069 0.000 0.211 456 A C 0.052 177.748 177.584 0.188 0.000 1.157 456 A CA 0.310 52.453 52.037 0.177 0.000 0.780 456 A CB -0.028 19.049 19.000 0.128 0.000 0.828 456 A HN 0.569 nan 8.150 nan 0.000 0.476 457 N N 1.803 120.634 118.700 0.218 0.000 2.434 457 N HA 0.167 4.948 4.740 0.069 0.000 0.272 457 N C -0.120 175.554 175.510 0.273 0.000 1.040 457 N CA -0.334 52.837 53.050 0.203 0.000 0.956 457 N CB 0.687 39.283 38.487 0.182 0.000 1.108 457 N HN 0.701 nan 8.380 nan 0.000 0.481 458 N N 0.576 119.365 118.700 0.149 0.000 2.255 458 N HA -0.045 4.736 4.740 0.069 0.000 0.253 458 N C 0.933 176.442 175.510 -0.001 0.000 1.313 458 N CA -0.452 52.586 53.050 -0.020 0.000 0.912 458 N CB 0.367 38.903 38.487 0.080 0.000 1.145 458 N HN 0.482 nan 8.380 nan 0.000 0.511 459 F N -1.529 118.302 119.950 -0.198 0.000 2.365 459 F HA 0.111 4.673 4.527 0.057 0.000 0.300 459 F C 1.211 177.053 175.800 0.069 0.000 1.090 459 F CA 0.253 58.249 58.000 -0.006 0.000 1.408 459 F CB -0.603 38.360 39.000 -0.061 0.000 1.060 459 F HN 0.291 nan 8.300 nan 0.000 0.534 460 F N 1.412 120.995 119.950 -0.611 0.000 2.604 460 F HA 0.281 4.851 4.527 0.071 0.000 0.298 460 F C 2.160 177.897 175.800 -0.104 0.000 1.131 460 F CA 0.916 58.679 58.000 -0.394 0.000 1.457 460 F CB -0.392 38.315 39.000 -0.489 0.000 1.095 460 F HN 0.267 nan 8.300 nan 0.000 0.574 461 G N -0.002 108.886 108.800 0.145 0.000 2.159 461 G HA2 -0.220 3.781 3.960 0.069 0.000 0.227 461 G HA3 -0.220 3.781 3.960 0.069 0.000 0.227 461 G C -0.159 174.802 174.900 0.102 0.000 0.986 461 G CA -0.055 45.127 45.100 0.137 0.000 0.651 461 G HN 0.128 nan 8.290 nan 0.000 0.523 462 V N 1.771 121.735 119.914 0.083 0.000 2.394 462 V HA 0.481 4.642 4.120 0.069 0.000 0.282 462 V C -1.736 174.391 176.094 0.055 0.000 1.031 462 V CA -1.860 60.462 62.300 0.037 0.000 0.881 462 V CB 1.689 33.486 31.823 -0.044 0.000 0.982 462 V HN 0.065 nan 8.190 nan 0.000 0.451 463 P HA -0.034 nan 4.420 nan 0.000 0.259 463 P C -0.007 177.329 177.300 0.060 0.000 1.163 463 P CA 0.546 63.685 63.100 0.065 0.000 0.760 463 P CB 0.105 31.834 31.700 0.049 0.000 0.762 464 Q N 2.629 122.479 119.800 0.082 0.000 2.118 464 Q HA 0.625 5.006 4.340 0.069 0.000 0.219 464 Q C -0.188 175.861 176.000 0.081 0.000 0.794 464 Q CA -0.572 55.277 55.803 0.076 0.000 1.035 464 Q CB 0.863 29.654 28.738 0.088 0.000 1.177 464 Q HN 0.329 nan 8.270 nan 0.000 0.478 465 A N 0.323 123.193 122.820 0.083 0.000 2.544 465 A HA 0.756 5.117 4.320 0.069 0.000 0.291 465 A C -1.366 176.265 177.584 0.078 0.000 1.055 465 A CA -0.504 51.584 52.037 0.086 0.000 0.651 465 A CB 0.217 19.281 19.000 0.106 0.000 1.296 465 A HN 0.400 nan 8.150 nan 0.000 0.431 466 A N 0.118 122.980 122.820 0.071 0.000 2.425 466 A HA 0.581 4.942 4.320 0.069 0.000 0.242 466 A C 1.511 179.141 177.584 0.077 0.000 1.077 466 A CA 0.601 52.675 52.037 0.062 0.000 0.781 466 A CB -0.140 18.888 19.000 0.046 0.000 1.020 466 A HN 2.390 nan 8.150 nan 0.000 0.494 467 A N 0.945 123.808 122.820 0.072 0.000 2.024 467 A HA -0.118 4.244 4.320 0.069 0.000 0.220 467 A C 1.521 179.159 177.584 0.090 0.000 1.164 467 A CA 2.068 54.155 52.037 0.083 0.000 0.643 467 A CB -0.552 18.494 19.000 0.076 0.000 0.806 467 A HN 0.861 nan 8.150 nan 0.000 0.451 468 E N 0.400 120.649 120.200 0.080 0.000 2.418 468 E HA -0.073 4.319 4.350 0.069 0.000 0.197 468 E C 1.389 178.052 176.600 0.104 0.000 1.026 468 E CA 0.884 57.336 56.400 0.086 0.000 0.862 468 E CB -0.162 29.575 29.700 0.062 0.000 0.799 468 E HN 0.749 nan 8.360 nan 0.000 0.518 469 E N 0.465 120.733 120.200 0.113 0.000 2.481 469 E HA 0.014 4.405 4.350 0.069 0.000 0.195 469 E C -0.010 176.651 176.600 0.101 0.000 1.047 469 E CA 0.185 56.672 56.400 0.146 0.000 0.867 469 E CB 0.100 29.903 29.700 0.172 0.000 0.858 469 E HN 0.099 nan 8.360 nan 0.000 0.513 470 T N 2.117 116.725 114.554 0.089 0.000 2.946 470 T HA 0.063 4.454 4.350 0.069 0.000 0.311 470 T C 0.351 175.051 174.700 0.001 0.000 1.063 470 T CA 0.234 62.357 62.100 0.039 0.000 1.139 470 T CB 0.551 69.440 68.868 0.035 0.000 0.994 470 T HN -0.050 nan 8.240 nan 0.000 0.547 471 R N 1.546 122.015 120.500 -0.051 0.000 2.778 471 R HA 0.538 4.919 4.340 0.069 0.000 0.277 471 R C -0.894 175.357 176.300 -0.082 0.000 0.977 471 R CA -0.755 55.329 56.100 -0.028 0.000 0.950 471 R CB 1.405 31.631 30.300 -0.123 0.000 1.165 471 R HN 0.732 nan 8.270 nan 0.000 0.474 472 H N -0.079 119.080 119.070 0.149 0.000 2.679 472 H HA 0.304 4.893 4.556 0.054 0.000 0.360 472 H C -0.785 174.615 175.328 0.119 0.000 1.105 472 H CA -0.543 55.580 56.048 0.125 0.000 1.196 472 H CB 2.486 32.290 29.762 0.070 0.000 1.636 472 H HN 0.345 nan 8.280 nan 0.000 0.531 473 Q N 2.465 122.390 119.800 0.208 0.000 2.356 473 Q HA 0.599 4.980 4.340 0.069 0.000 0.270 473 Q C -0.264 175.789 176.000 0.088 0.000 1.058 473 Q CA -0.669 55.218 55.803 0.140 0.000 0.802 473 Q CB 2.050 30.875 28.738 0.146 0.000 1.303 473 Q HN 0.803 nan 8.270 nan 0.000 0.444 474 A N 3.564 126.425 122.820 0.069 0.000 1.883 474 A HA -0.143 4.219 4.320 0.069 0.000 0.217 474 A C 0.789 178.400 177.584 0.046 0.000 1.186 474 A CA 1.424 53.489 52.037 0.046 0.000 0.624 474 A CB -0.242 18.782 19.000 0.041 0.000 0.822 474 A HN 0.797 nan 8.150 nan 0.000 0.444 475 E N -0.193 120.043 120.200 0.061 0.000 2.001 475 E HA 0.266 4.657 4.350 0.069 0.000 0.279 475 E C -1.109 175.533 176.600 0.070 0.000 1.045 475 E CA -0.797 55.666 56.400 0.104 0.000 0.833 475 E CB 0.116 29.887 29.700 0.119 0.000 1.077 475 E HN 0.399 nan 8.360 nan 0.000 0.397 476 Y N 4.092 124.411 120.300 0.031 0.000 2.717 476 Y HA -0.060 4.546 4.550 0.095 0.000 0.330 476 Y C -0.641 175.305 175.900 0.077 0.000 1.217 476 Y CA 0.623 58.708 58.100 -0.026 0.000 1.506 476 Y CB 0.481 38.971 38.460 0.050 0.000 1.268 476 Y HN 0.463 nan 8.280 nan 0.000 0.561 477 Q N 4.960 124.178 119.800 -0.972 0.000 2.292 477 Q HA 0.185 4.566 4.340 0.069 0.000 0.270 477 Q C -1.003 174.586 176.000 -0.684 0.000 1.024 477 Q CA -0.982 54.510 55.803 -0.518 0.000 0.768 477 Q CB 1.299 29.940 28.738 -0.161 0.000 1.250 477 Q HN 0.591 nan 8.270 nan 0.000 0.447 478 N N 3.734 122.291 118.700 -0.238 0.000 2.971 478 N HA 0.036 4.817 4.740 0.069 0.000 0.294 478 N C -1.081 174.614 175.510 0.308 0.000 1.210 478 N CA 0.117 53.298 53.050 0.217 0.000 1.157 478 N CB 0.041 38.813 38.487 0.476 0.000 1.450 478 N HN 0.592 nan 8.380 nan 0.000 0.527 479 R N -0.823 119.844 120.500 0.280 0.000 2.947 479 R HA 0.703 5.084 4.340 0.069 0.000 0.253 479 R C 0.160 176.580 176.300 0.200 0.000 1.208 479 R CA -1.141 55.069 56.100 0.183 0.000 1.012 479 R CB -0.131 30.240 30.300 0.118 0.000 1.267 479 R HN 0.052 nan 8.270 nan 0.000 0.473 480 G N -0.142 108.681 108.800 0.038 0.000 2.491 480 G HA2 0.122 4.123 3.960 0.069 0.000 0.238 480 G HA3 0.122 4.123 3.960 0.069 0.000 0.238 480 G C 0.412 175.384 174.900 0.120 0.000 1.277 480 G CA -0.196 44.887 45.100 -0.027 0.000 0.851 480 G HN 0.581 nan 8.290 nan 0.000 0.573 481 T N 1.035 115.519 114.554 -0.116 0.000 2.759 481 T HA -0.082 4.309 4.350 0.069 0.000 0.269 481 T C 0.936 175.690 174.700 0.090 0.000 1.042 481 T CA 2.083 64.065 62.100 -0.196 0.000 1.140 481 T CB -0.139 68.575 68.868 -0.257 0.000 0.864 481 T HN 0.839 nan 8.240 nan 0.000 0.455 482 E N 0.576 120.819 120.200 0.071 0.000 2.336 482 E HA 0.533 4.924 4.350 0.069 0.000 0.267 482 E C -1.134 175.469 176.600 0.005 0.000 0.906 482 E CA -1.035 55.421 56.400 0.093 0.000 0.781 482 E CB 0.970 30.680 29.700 0.016 0.000 1.261 482 E HN -0.102 nan 8.360 nan 0.000 0.436 483 N N 1.679 120.417 118.700 0.063 0.000 2.258 483 N HA 0.315 5.097 4.740 0.069 0.000 0.299 483 N C -1.744 173.820 175.510 0.089 0.000 1.047 483 N CA -0.596 52.422 53.050 -0.054 0.000 0.814 483 N CB 1.756 40.116 38.487 -0.212 0.000 1.413 483 N HN 0.757 nan 8.380 nan 0.000 0.478 484 D N 1.059 121.461 120.400 0.005 0.000 2.732 484 D HA 0.406 5.087 4.640 0.069 0.000 0.229 484 D C -0.841 175.556 176.300 0.162 0.000 1.152 484 D CA -0.489 53.592 54.000 0.135 0.000 0.854 484 D CB 2.470 43.302 40.800 0.054 0.000 1.590 484 D HN 0.322 nan 8.370 nan 0.000 0.468 485 M N 1.774 121.539 119.600 0.274 0.000 2.386 485 M HA 0.511 5.032 4.480 0.069 0.000 0.293 485 M C -2.191 174.207 176.300 0.162 0.000 1.120 485 M CA -0.684 54.755 55.300 0.231 0.000 0.909 485 M CB 1.925 34.749 32.600 0.373 0.000 1.661 485 M HN 0.419 nan 8.290 nan 0.000 0.452 486 I N 4.585 125.168 120.570 0.022 0.000 2.465 486 I HA 0.562 4.774 4.170 0.069 0.000 0.291 486 I C -0.940 175.066 176.117 -0.184 0.000 1.014 486 I CA -0.648 60.531 61.300 -0.200 0.000 1.093 486 I CB 2.126 39.920 38.000 -0.344 0.000 1.267 486 I HN 0.380 nan 8.210 nan 0.000 0.431 487 V N 5.946 125.692 119.914 -0.280 0.000 2.495 487 V HA 0.476 4.637 4.120 0.069 0.000 0.298 487 V C -0.674 175.190 176.094 -0.383 0.000 1.031 487 V CA -0.622 61.593 62.300 -0.141 0.000 0.871 487 V CB 1.464 33.334 31.823 0.077 0.000 0.988 487 V HN 0.370 nan 8.190 nan 0.000 0.432 488 F N 1.583 121.502 119.950 -0.052 0.000 2.443 488 F HA 0.444 5.011 4.527 0.068 0.000 0.335 488 F C 1.248 177.030 175.800 -0.031 0.000 1.104 488 F CA -0.463 57.497 58.000 -0.067 0.000 1.013 488 F CB 1.919 40.879 39.000 -0.067 0.000 1.136 488 F HN 0.547 nan 8.300 nan 0.000 0.470 489 S N 2.153 117.930 115.700 0.129 0.000 3.477 489 S HA -0.136 4.375 4.470 0.069 0.000 0.371 489 S C -2.433 172.203 174.600 0.059 0.000 0.965 489 S CA -0.401 57.848 58.200 0.082 0.000 1.239 489 S CB -1.873 61.382 63.200 0.093 0.000 0.918 489 S HN 0.361 nan 8.310 nan 0.000 0.498 490 P HA 0.056 nan 4.420 nan 0.000 0.266 490 P C 1.130 178.451 177.300 0.033 0.000 1.195 490 P CA 0.210 63.333 63.100 0.038 0.000 0.768 490 P CB 0.456 32.177 31.700 0.036 0.000 0.838 491 T N -2.679 111.894 114.554 0.031 0.000 3.100 491 T HA -0.019 4.372 4.350 0.069 0.000 0.253 491 T C 1.113 175.827 174.700 0.023 0.000 1.118 491 T CA 0.881 62.996 62.100 0.025 0.000 1.058 491 T CB -1.030 67.851 68.868 0.021 0.000 0.953 491 T HN 0.477 nan 8.240 nan 0.000 0.515 492 T N -0.866 113.704 114.554 0.027 0.000 3.122 492 T HA 0.425 4.816 4.350 0.069 0.000 0.250 492 T C 0.435 175.153 174.700 0.031 0.000 1.067 492 T CA -0.266 61.850 62.100 0.027 0.000 0.966 492 T CB -0.018 68.868 68.868 0.030 0.000 1.002 492 T HN 0.363 nan 8.240 nan 0.000 0.542 493 S N 0.875 116.591 115.700 0.028 0.000 2.565 493 S HA 0.363 4.874 4.470 0.069 0.000 0.269 493 S C -0.590 174.021 174.600 0.018 0.000 1.153 493 S CA -0.375 57.840 58.200 0.024 0.000 0.835 493 S CB 1.577 64.790 63.200 0.022 0.000 1.122 493 S HN 0.335 nan 8.310 nan 0.000 0.462 494 D N 1.015 121.424 120.400 0.016 0.000 2.348 494 D HA 0.137 4.819 4.640 0.069 0.000 0.211 494 D C 0.368 176.675 176.300 0.011 0.000 0.998 494 D CA -0.018 53.991 54.000 0.015 0.000 0.873 494 D CB 0.113 40.923 40.800 0.015 0.000 0.925 494 D HN 0.141 nan 8.370 nan 0.000 0.524 495 R N 1.283 121.784 120.500 0.001 0.000 2.623 495 R HA 0.141 4.522 4.340 0.069 0.000 0.271 495 R C -1.618 174.671 176.300 -0.018 0.000 1.043 495 R CA -2.152 53.941 56.100 -0.013 0.000 1.083 495 R CB -0.528 29.753 30.300 -0.032 0.000 0.974 495 R HN 0.103 nan 8.270 nan 0.000 0.436 496 P HA -0.038 nan 4.420 nan 0.000 0.219 496 P C -0.199 177.067 177.300 -0.058 0.000 1.150 496 P CA 0.833 63.939 63.100 0.010 0.000 0.814 496 P CB 0.475 32.204 31.700 0.049 0.000 0.787 497 V N -0.325 119.483 119.914 -0.177 0.000 2.808 497 V HA 0.346 4.507 4.120 0.069 0.000 0.308 497 V C -0.492 175.337 176.094 -0.443 0.000 1.099 497 V CA -0.700 61.327 62.300 -0.456 0.000 0.920 497 V CB 2.593 34.010 31.823 -0.677 0.000 1.014 497 V HN -0.177 nan 8.190 nan 0.000 0.425 498 L N 3.144 124.049 121.223 -0.530 0.000 2.370 498 L HA 1.019 5.400 4.340 0.069 0.000 0.266 498 L C -0.217 176.163 176.870 -0.816 0.000 1.002 498 L CA -0.640 53.812 54.840 -0.647 0.000 0.818 498 L CB 2.223 43.949 42.059 -0.555 0.000 1.325 498 L HN 0.807 nan 8.230 nan 0.000 0.418 499 A N 1.719 123.888 122.820 -1.085 0.000 2.566 499 A HA 0.792 5.153 4.320 0.069 0.000 0.297 499 A C -2.084 174.994 177.584 -0.843 0.000 1.059 499 A CA -0.536 51.103 52.037 -0.663 0.000 0.691 499 A CB 1.453 20.252 19.000 -0.335 0.000 1.282 499 A HN 0.667 nan 8.150 nan 0.000 0.401 500 W N 0.834 121.982 121.300 -0.253 0.000 3.029 500 W HA 0.583 5.283 4.660 0.068 0.000 0.339 500 W C -0.986 175.439 176.519 -0.157 0.000 1.198 500 W CA -0.155 57.018 57.345 -0.287 0.000 1.148 500 W CB 2.370 31.591 29.460 -0.399 0.000 1.451 500 W HN 1.034 nan 8.180 nan 0.000 0.564 501 D N -1.020 119.439 120.400 0.098 0.000 2.768 501 D HA 0.510 5.191 4.640 0.069 0.000 0.327 501 D C -1.952 174.424 176.300 0.126 0.000 1.302 501 D CA -0.593 53.483 54.000 0.128 0.000 0.897 501 D CB 1.927 42.765 40.800 0.063 0.000 1.420 501 D HN 0.165 nan 8.370 nan 0.000 0.494 502 V N -0.155 119.857 119.914 0.162 0.000 2.737 502 V HA 0.506 4.667 4.120 0.069 0.000 0.298 502 V C -1.859 174.335 176.094 0.166 0.000 1.163 502 V CA -0.432 61.976 62.300 0.180 0.000 0.925 502 V CB 1.577 33.573 31.823 0.289 0.000 1.037 502 V HN 0.603 nan 8.190 nan 0.000 0.433 503 V N 7.206 127.172 119.914 0.088 0.000 2.289 503 V HA 0.823 4.984 4.120 0.069 0.000 0.272 503 V C 0.491 176.587 176.094 0.004 0.000 1.026 503 V CA 0.220 62.545 62.300 0.041 0.000 0.807 503 V CB 1.157 32.968 31.823 -0.020 0.000 1.044 503 V HN 1.140 nan 8.190 nan 0.000 0.443 504 A N 5.883 128.701 122.820 -0.003 0.000 2.320 504 A HA 0.889 5.251 4.320 0.069 0.000 0.334 504 A C -1.933 175.525 177.584 -0.210 0.000 1.147 504 A CA -1.706 50.248 52.037 -0.138 0.000 0.820 504 A CB 1.508 20.405 19.000 -0.171 0.000 1.218 504 A HN 0.534 nan 8.150 nan 0.000 0.482 505 P HA 0.152 nan 4.420 nan 0.000 0.222 505 P C 0.646 177.804 177.300 -0.237 0.000 1.153 505 P CA 1.528 64.355 63.100 -0.454 0.000 0.798 505 P CB 0.293 31.659 31.700 -0.555 0.000 0.796 506 G N -1.646 107.051 108.800 -0.171 0.000 2.451 506 G HA2 0.206 4.207 3.960 0.069 0.000 0.292 506 G HA3 0.206 4.207 3.960 0.069 0.000 0.292 506 G C -0.376 174.482 174.900 -0.070 0.000 1.427 506 G CA -0.234 44.819 45.100 -0.079 0.000 0.792 506 G HN -0.173 nan 8.290 nan 0.000 0.498 507 Q N 0.083 119.855 119.800 -0.047 0.000 2.119 507 Q HA 0.127 4.508 4.340 0.069 0.000 0.201 507 Q C 1.376 177.356 176.000 -0.034 0.000 0.972 507 Q CA 1.989 57.723 55.803 -0.115 0.000 0.847 507 Q CB -0.121 28.511 28.738 -0.177 0.000 0.903 507 Q HN 0.637 nan 8.270 nan 0.000 0.433 508 S N -1.613 114.131 115.700 0.074 0.000 2.525 508 S HA 0.620 5.131 4.470 0.069 0.000 0.290 508 S C 0.524 175.223 174.600 0.164 0.000 1.152 508 S CA -0.304 57.990 58.200 0.157 0.000 1.072 508 S CB 1.375 64.719 63.200 0.240 0.000 1.027 508 S HN 0.413 nan 8.310 nan 0.000 0.500 509 G N 2.807 111.733 108.800 0.210 0.000 3.159 509 G HA2 0.181 4.182 3.960 0.069 0.000 0.232 509 G HA3 0.181 4.182 3.960 0.069 0.000 0.232 509 G C -0.053 175.067 174.900 0.366 0.000 1.116 509 G CA -0.359 44.877 45.100 0.225 0.000 0.767 509 G HN 0.628 nan 8.290 nan 0.000 0.547 510 F N 1.854 121.927 119.950 0.206 0.000 2.495 510 F HA 0.544 5.112 4.527 0.068 0.000 0.365 510 F C -0.119 175.734 175.800 0.089 0.000 1.090 510 F CA -0.850 57.229 58.000 0.132 0.000 1.235 510 F CB 0.521 39.575 39.000 0.092 0.000 1.119 510 F HN -0.168 nan 8.300 nan 0.000 0.562 511 I N 6.574 126.710 120.570 -0.724 0.000 2.447 511 I HA 0.394 4.605 4.170 0.069 0.000 0.287 511 I C 0.033 175.468 176.117 -1.137 0.000 1.023 511 I CA -0.973 59.891 61.300 -0.727 0.000 1.083 511 I CB 1.429 39.189 38.000 -0.399 0.000 1.245 511 I HN 0.787 nan 8.210 nan 0.000 0.434 512 A N 7.815 130.115 122.820 -0.867 0.000 2.386 512 A HA 0.348 4.709 4.320 0.069 0.000 0.246 512 A C -1.689 175.728 177.584 -0.277 0.000 1.089 512 A CA -0.815 50.923 52.037 -0.498 0.000 0.790 512 A CB -0.250 18.716 19.000 -0.057 0.000 1.042 512 A HN 0.573 nan 8.150 nan 0.000 0.497 513 P HA -0.176 nan 4.420 nan 0.000 0.216 513 P C 0.553 177.811 177.300 -0.069 0.000 1.150 513 P CA 1.767 64.822 63.100 -0.075 0.000 0.843 513 P CB 0.009 31.701 31.700 -0.014 0.000 0.787 514 D N -1.988 118.376 120.400 -0.059 0.000 2.336 514 D HA 0.061 4.743 4.640 0.069 0.000 0.229 514 D C 1.340 177.594 176.300 -0.077 0.000 1.061 514 D CA 0.674 54.642 54.000 -0.052 0.000 0.875 514 D CB -0.932 39.850 40.800 -0.030 0.000 0.904 514 D HN 0.247 nan 8.370 nan 0.000 0.525 515 G N -0.586 108.142 108.800 -0.120 0.000 2.175 515 G HA2 -0.244 3.757 3.960 0.069 0.000 0.244 515 G HA3 -0.244 3.757 3.960 0.069 0.000 0.244 515 G C 0.290 175.092 174.900 -0.164 0.000 0.982 515 G CA 0.184 45.200 45.100 -0.139 0.000 0.641 515 G HN 0.420 nan 8.290 nan 0.000 0.527 516 T N 2.226 116.695 114.554 -0.143 0.000 2.738 516 T HA 0.475 4.866 4.350 0.069 0.000 0.293 516 T C 0.969 175.560 174.700 -0.182 0.000 0.913 516 T CA 0.299 62.324 62.100 -0.125 0.000 1.103 516 T CB 1.460 70.296 68.868 -0.054 0.000 0.880 516 T HN 1.396 nan 8.240 nan 0.000 0.526 517 V N 1.529 121.291 119.914 -0.254 0.000 2.881 517 V HA 0.345 4.506 4.120 0.069 0.000 0.303 517 V C 0.429 176.452 176.094 -0.119 0.000 1.070 517 V CA -1.090 60.980 62.300 -0.383 0.000 1.074 517 V CB 0.694 32.008 31.823 -0.848 0.000 1.012 517 V HN 0.725 nan 8.190 nan 0.000 0.482 518 D N 2.217 122.645 120.400 0.046 0.000 2.378 518 D HA 0.075 4.757 4.640 0.069 0.000 0.238 518 D C 1.447 177.784 176.300 0.062 0.000 1.180 518 D CA 0.570 54.668 54.000 0.164 0.000 0.895 518 D CB 0.904 41.883 40.800 0.298 0.000 1.192 518 D HN 0.834 nan 8.370 nan 0.000 0.438 519 K N 0.878 121.249 120.400 -0.048 0.000 2.280 519 K HA -0.191 4.170 4.320 0.069 0.000 0.202 519 K C 0.465 176.892 176.600 -0.289 0.000 1.047 519 K CA 1.346 57.510 56.287 -0.205 0.000 0.942 519 K CB -0.241 32.047 32.500 -0.352 0.000 0.739 519 K HN 0.519 nan 8.250 nan 0.000 0.457 520 H N -0.821 118.319 119.070 0.116 0.000 2.524 520 H HA 0.096 4.692 4.556 0.068 0.000 0.297 520 H C 0.059 175.456 175.328 0.116 0.000 1.115 520 H CA -0.499 55.603 56.048 0.090 0.000 1.027 520 H CB 0.220 30.014 29.762 0.054 0.000 1.591 520 H HN 0.262 nan 8.280 nan 0.000 0.543 521 Y N 1.763 122.106 120.300 0.072 0.000 2.517 521 Y HA -0.022 4.570 4.550 0.071 0.000 0.281 521 Y C 0.992 176.894 175.900 0.004 0.000 1.125 521 Y CA 1.003 59.130 58.100 0.045 0.000 1.283 521 Y CB 0.775 39.251 38.460 0.026 0.000 1.042 521 Y HN 0.411 nan 8.280 nan 0.000 0.547 522 E N -1.482 118.760 120.200 0.070 0.000 2.866 522 E HA 0.033 4.424 4.350 0.069 0.000 0.149 522 E C -0.332 176.274 176.600 0.010 0.000 0.884 522 E CA 0.344 56.729 56.400 -0.025 0.000 1.393 522 E CB -0.683 29.058 29.700 0.068 0.000 0.986 522 E HN 0.396 nan 8.360 nan 0.000 0.440 523 D N 0.862 121.294 120.400 0.053 0.000 2.319 523 D HA -0.039 4.642 4.640 0.069 0.000 0.230 523 D C 0.980 177.310 176.300 0.050 0.000 1.094 523 D CA 0.030 54.072 54.000 0.070 0.000 0.856 523 D CB 0.259 41.137 40.800 0.130 0.000 0.915 523 D HN 0.336 nan 8.370 nan 0.000 0.517 524 Q N -0.494 119.314 119.800 0.013 0.000 2.149 524 Q HA 0.204 4.586 4.340 0.069 0.000 0.221 524 Q C 1.217 177.234 176.000 0.029 0.000 0.807 524 Q CA -0.258 55.562 55.803 0.028 0.000 1.000 524 Q CB 0.743 29.498 28.738 0.029 0.000 1.157 524 Q HN 0.075 nan 8.270 nan 0.000 0.487 525 L N 0.922 122.124 121.223 -0.034 0.000 2.072 525 L HA -0.090 4.291 4.340 0.069 0.000 0.205 525 L C 1.865 178.764 176.870 0.049 0.000 1.079 525 L CA 1.751 56.551 54.840 -0.065 0.000 0.752 525 L CB 0.102 42.049 42.059 -0.187 0.000 0.906 525 L HN -0.066 nan 8.230 nan 0.000 0.436 526 K N -1.011 119.414 120.400 0.042 0.000 2.116 526 K HA -0.075 4.286 4.320 0.069 0.000 0.203 526 K C 2.055 178.685 176.600 0.050 0.000 1.052 526 K CA 1.351 57.666 56.287 0.047 0.000 0.952 526 K CB -0.473 32.049 32.500 0.036 0.000 0.729 526 K HN 0.361 nan 8.250 nan 0.000 0.446 527 M N -0.173 119.465 119.600 0.063 0.000 2.108 527 M HA -0.250 4.271 4.480 0.069 0.000 0.261 527 M C 2.114 178.448 176.300 0.057 0.000 1.066 527 M CA 1.680 57.017 55.300 0.061 0.000 1.107 527 M CB -0.253 32.392 32.600 0.076 0.000 1.356 527 M HN 0.072 nan 8.290 nan 0.000 0.406 528 Y N 0.862 121.163 120.300 0.003 0.000 2.145 528 Y HA -0.305 4.282 4.550 0.062 0.000 0.286 528 Y C 2.301 178.105 175.900 -0.159 0.000 1.145 528 Y CA 2.481 60.578 58.100 -0.006 0.000 1.148 528 Y CB -0.451 38.067 38.460 0.095 0.000 0.981 528 Y HN 0.406 nan 8.280 nan 0.000 0.507 529 E N -0.228 119.922 120.200 -0.083 0.000 2.051 529 E HA -0.221 4.170 4.350 0.069 0.000 0.192 529 E C 1.055 177.431 176.600 -0.373 0.000 0.991 529 E CA 1.430 57.709 56.400 -0.202 0.000 0.799 529 E CB -0.217 29.479 29.700 -0.007 0.000 0.748 529 E HN 0.469 nan 8.360 nan 0.000 0.449 530 N N 0.123 118.707 118.700 -0.193 0.000 2.362 530 N HA -0.016 4.765 4.740 0.069 0.000 0.204 530 N C -0.529 174.999 175.510 0.030 0.000 1.166 530 N CA 0.326 53.344 53.050 -0.052 0.000 0.831 530 N CB 0.087 38.591 38.487 0.029 0.000 1.008 530 N HN 0.167 nan 8.380 nan 0.000 0.472 531 F N -1.088 118.854 119.950 -0.014 0.000 3.084 531 F HA -0.225 4.342 4.527 0.068 0.000 0.286 531 F C 1.359 177.302 175.800 0.237 0.000 0.855 531 F CA 0.495 58.557 58.000 0.103 0.000 1.091 531 F CB -1.971 37.089 39.000 0.100 0.000 1.177 531 F HN 0.028 nan 8.300 nan 0.000 0.542 532 G N 0.216 109.113 108.800 0.161 0.000 2.543 532 G HA2 0.752 4.753 3.960 0.069 0.000 0.290 532 G HA3 0.752 4.753 3.960 0.069 0.000 0.290 532 G C -0.132 174.787 174.900 0.032 0.000 1.310 532 G CA -0.304 44.828 45.100 0.054 0.000 1.025 532 G HN 0.483 nan 8.290 nan 0.000 0.502 533 R N -1.488 118.933 120.500 -0.131 0.000 2.690 533 R HA 0.542 4.923 4.340 0.069 0.000 0.269 533 R C -1.352 174.906 176.300 -0.070 0.000 1.037 533 R CA -1.134 54.887 56.100 -0.133 0.000 0.877 533 R CB 1.299 31.266 30.300 -0.555 0.000 1.255 533 R HN 0.674 nan 8.270 nan 0.000 0.467 534 K N 0.513 120.915 120.400 0.003 0.000 2.328 534 K HA 0.512 4.873 4.320 0.069 0.000 0.246 534 K C -0.808 175.730 176.600 -0.104 0.000 0.955 534 K CA -0.908 55.371 56.287 -0.012 0.000 0.817 534 K CB 2.214 34.688 32.500 -0.044 0.000 1.208 534 K HN 0.421 nan 8.250 nan 0.000 0.432 535 S N 1.566 117.049 115.700 -0.362 0.000 2.549 535 S HA 0.144 4.655 4.470 0.069 0.000 0.283 535 S C -0.184 173.712 174.600 -1.175 0.000 1.320 535 S CA -0.575 57.010 58.200 -1.026 0.000 1.058 535 S CB 0.010 62.333 63.200 -1.461 0.000 0.882 535 S HN 0.385 nan 8.310 nan 0.000 0.498 536 L N 3.481 124.074 121.223 -1.051 0.000 2.272 536 L HA 0.409 4.790 4.340 0.069 0.000 0.289 536 L C -0.707 175.714 176.870 -0.748 0.000 1.032 536 L CA -0.451 53.954 54.840 -0.724 0.000 0.810 536 L CB 0.689 42.514 42.059 -0.391 0.000 1.205 536 L HN 0.709 nan 8.230 nan 0.000 0.422 537 W N 4.249 125.445 121.300 -0.173 0.000 2.381 537 W HA 0.361 5.063 4.660 0.071 0.000 0.329 537 W C 0.562 177.033 176.519 -0.079 0.000 1.157 537 W CA -0.678 56.579 57.345 -0.146 0.000 1.240 537 W CB 1.282 30.665 29.460 -0.129 0.000 1.199 537 W HN 0.378 nan 8.180 nan 0.000 0.579 538 L N 1.461 122.799 121.223 0.191 0.000 2.641 538 L HA 0.218 4.599 4.340 0.069 0.000 0.207 538 L C 1.299 178.190 176.870 0.036 0.000 1.049 538 L CA 0.846 55.760 54.840 0.123 0.000 0.866 538 L CB -0.496 41.629 42.059 0.111 0.000 1.264 538 L HN 0.369 nan 8.230 nan 0.000 0.483 539 T N -2.475 112.098 114.554 0.033 0.000 2.868 539 T HA 0.154 4.545 4.350 0.069 0.000 0.292 539 T C 0.989 175.628 174.700 -0.100 0.000 1.028 539 T CA -0.309 61.773 62.100 -0.030 0.000 1.059 539 T CB 0.982 69.850 68.868 0.001 0.000 0.991 539 T HN 0.208 nan 8.240 nan 0.000 0.531 540 K N 0.832 121.159 120.400 -0.121 0.000 2.057 540 K HA -0.162 4.199 4.320 0.069 0.000 0.207 540 K C 2.567 179.104 176.600 -0.105 0.000 1.049 540 K CA 1.696 57.904 56.287 -0.132 0.000 0.931 540 K CB -0.175 32.268 32.500 -0.095 0.000 0.714 540 K HN 0.619 nan 8.250 nan 0.000 0.440 541 Q N 0.826 120.575 119.800 -0.084 0.000 2.079 541 Q HA -0.147 4.234 4.340 0.069 0.000 0.200 541 Q C 1.703 177.621 176.000 -0.136 0.000 0.974 541 Q CA 1.530 57.276 55.803 -0.095 0.000 0.840 541 Q CB -0.052 28.644 28.738 -0.070 0.000 0.898 541 Q HN 0.236 nan 8.270 nan 0.000 0.430 542 D N -0.338 119.987 120.400 -0.125 0.000 2.097 542 D HA -0.128 4.553 4.640 0.069 0.000 0.195 542 D C 1.943 178.028 176.300 -0.358 0.000 0.989 542 D CA 1.079 54.932 54.000 -0.245 0.000 0.827 542 D CB -0.270 40.475 40.800 -0.091 0.000 0.966 542 D HN 0.054 nan 8.370 nan 0.000 0.456 543 V N 0.945 120.746 119.914 -0.190 0.000 2.282 543 V HA -0.265 3.896 4.120 0.069 0.000 0.249 543 V C 2.442 178.445 176.094 -0.152 0.000 1.057 543 V CA 2.063 64.281 62.300 -0.137 0.000 1.032 543 V CB -0.509 31.280 31.823 -0.056 0.000 0.645 543 V HN 0.153 nan 8.190 nan 0.000 0.447 544 E N 0.681 120.794 120.200 -0.145 0.000 2.204 544 E HA -0.112 4.279 4.350 0.069 0.000 0.194 544 E C 1.945 178.431 176.600 -0.191 0.000 0.989 544 E CA 1.324 57.645 56.400 -0.132 0.000 0.824 544 E CB -0.373 29.263 29.700 -0.108 0.000 0.756 544 E HN 0.544 nan 8.360 nan 0.000 0.477 545 A N -0.505 122.151 122.820 -0.273 0.000 2.167 545 A HA -0.063 4.298 4.320 0.069 0.000 0.214 545 A C 1.048 178.225 177.584 -0.677 0.000 1.151 545 A CA 0.894 52.684 52.037 -0.412 0.000 0.735 545 A CB -0.317 18.415 19.000 -0.446 0.000 0.802 545 A HN 0.366 nan 8.150 nan 0.000 0.467 546 H N -0.932 117.908 119.070 -0.384 0.000 2.567 546 H HA 0.160 4.757 4.556 0.069 0.000 0.267 546 H C 0.009 175.251 175.328 -0.144 0.000 1.148 546 H CA -0.255 55.610 56.048 -0.306 0.000 1.031 546 H CB 0.142 29.570 29.762 -0.557 0.000 1.691 546 H HN 0.475 nan 8.280 nan 0.000 0.588 547 K N 2.118 122.467 120.400 -0.085 0.000 2.412 547 K HA -0.026 4.335 4.320 0.069 0.000 0.281 547 K C 1.055 177.654 176.600 -0.002 0.000 1.027 547 K CA 0.085 56.355 56.287 -0.029 0.000 0.989 547 K CB 1.132 33.603 32.500 -0.048 0.000 0.935 547 K HN 0.293 nan 8.250 nan 0.000 0.475 548 E N 2.429 122.648 120.200 0.032 0.000 2.244 548 E HA -0.007 4.384 4.350 0.069 0.000 0.196 548 E C -0.521 176.103 176.600 0.040 0.000 0.939 548 E CA 0.226 56.657 56.400 0.051 0.000 0.884 548 E CB 0.418 30.180 29.700 0.104 0.000 0.850 548 E HN 0.707 nan 8.360 nan 0.000 0.481 549 S N -0.609 115.112 115.700 0.034 0.000 2.643 549 S HA 0.414 4.925 4.470 0.069 0.000 0.270 549 S C -1.146 173.463 174.600 0.015 0.000 1.166 549 S CA -0.938 57.276 58.200 0.024 0.000 0.815 549 S CB 1.886 65.106 63.200 0.033 0.000 1.139 549 S HN 0.240 nan 8.310 nan 0.000 0.472 550 Q N -0.005 119.799 119.800 0.008 0.000 2.527 550 Q HA 0.651 5.032 4.340 0.069 0.000 0.280 550 Q C -2.056 173.942 176.000 -0.003 0.000 0.977 550 Q CA -0.638 55.166 55.803 0.002 0.000 0.837 550 Q CB 1.914 30.651 28.738 -0.002 0.000 1.454 550 Q HN 0.822 nan 8.270 nan 0.000 0.387 551 E N 1.136 121.329 120.200 -0.011 0.000 2.314 551 E HA 0.598 4.989 4.350 0.069 0.000 0.272 551 E C -1.733 174.839 176.600 -0.046 0.000 0.884 551 E CA -0.904 55.482 56.400 -0.023 0.000 0.753 551 E CB 2.652 32.338 29.700 -0.023 0.000 1.213 551 E HN 0.458 nan 8.360 nan 0.000 0.432 552 V N 4.911 124.780 119.914 -0.076 0.000 2.444 552 V HA 0.424 4.585 4.120 0.069 0.000 0.294 552 V C -0.355 175.563 176.094 -0.294 0.000 1.022 552 V CA -0.668 61.535 62.300 -0.162 0.000 0.850 552 V CB 1.165 32.911 31.823 -0.129 0.000 0.992 552 V HN 0.552 nan 8.190 nan 0.000 0.426 553 L N 4.155 125.178 121.223 -0.334 0.000 2.334 553 L HA 0.671 5.052 4.340 0.069 0.000 0.270 553 L C -0.734 175.814 176.870 -0.537 0.000 1.018 553 L CA -0.784 53.863 54.840 -0.321 0.000 0.811 553 L CB 1.487 43.467 42.059 -0.132 0.000 1.271 553 L HN 0.642 nan 8.230 nan 0.000 0.443 554 H N 0.636 119.710 119.070 0.007 0.000 2.866 554 H HA 0.551 5.148 4.556 0.069 0.000 0.287 554 H C -1.179 174.152 175.328 0.006 0.000 1.106 554 H CA -0.513 55.540 56.048 0.007 0.000 1.396 554 H CB 1.510 31.275 29.762 0.006 0.000 1.469 554 H HN 0.212 nan 8.280 nan 0.000 0.500 555 V N 2.583 122.544 119.914 0.078 0.000 2.656 555 V HA 0.318 4.479 4.120 0.069 0.000 0.307 555 V C -0.275 175.844 176.094 0.042 0.000 1.051 555 V CA -0.938 61.391 62.300 0.048 0.000 0.893 555 V CB 2.225 34.059 31.823 0.018 0.000 0.999 555 V HN 0.676 nan 8.190 nan 0.000 0.426 556 Q N 2.526 122.346 119.800 0.034 0.000 2.316 556 Q HA 0.504 4.885 4.340 0.069 0.000 0.264 556 Q C -0.108 175.902 176.000 0.018 0.000 0.987 556 Q CA -0.623 55.195 55.803 0.026 0.000 0.852 556 Q CB 2.184 30.936 28.738 0.023 0.000 1.287 556 Q HN 0.736 nan 8.270 nan 0.000 0.448 557 R N 0.000 120.509 120.500 0.016 0.000 2.786 557 R HA 0.000 4.381 4.340 0.069 0.000 0.208 557 R CA 0.000 56.107 56.100 0.011 0.000 0.921 557 R CB 0.000 30.307 30.300 0.011 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535