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 3ejd_1_F DATA FIRST_RESID 9 DATA SEQUENCE SEFLKNPYSF YDTLRAVHPI YKGSFLKYPG WYVTGYEETA AILKDARFKV DATA SEQUENCE RTPLPESSTK YQDLSHVQNQ MMLFQNQPDH RRLRTLASGA FTPRTTESYQ DATA SEQUENCE PYIIETVHHL LDQVQGKKKM EVISDFAFPL ASFVIANIIG VPEEDREQLK DATA SEQUENCE EWAASLIQTI DFTRSRKALT EGNIMAVQAM AYFKELIQKR KRHPQQDMIS DATA SEQUENCE MLLKGRXXDK LTEEEAASTC ILLAIAGHET TVNLISNSVL CLLQHPEQLL DATA SEQUENCE KLRENPDLIG TAVEECLRYE SPTQMTARVA SEDIDICGVT IRQGEQVYLL DATA SEQUENCE LGAANRDPSI FTNPDVFDIT RSPNPHLSFG HGHHVCLGSS LARLEAQIAI DATA SEQUENCE NTLLQRMPSL NLAXXXWRYR PLFGFRALEE LPVTFE 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.624 174.600 0.040 0.000 1.055 9 S CA 0.000 58.252 58.200 0.087 0.000 1.107 9 S CB 0.000 63.240 63.200 0.067 0.000 0.593 10 E N 1.288 121.502 120.200 0.024 0.000 2.216 10 E HA 0.197 4.547 4.350 -0.000 0.000 0.192 10 E C 1.424 177.977 176.600 -0.079 0.000 0.988 10 E CA 0.878 57.269 56.400 -0.015 0.000 0.834 10 E CB -0.288 29.410 29.700 -0.002 0.000 0.772 10 E HN 0.688 nan 8.360 nan 0.000 0.479 11 F N 1.150 120.947 119.950 -0.256 0.000 2.146 11 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 11 F C 2.033 177.532 175.800 -0.501 0.000 1.096 11 F CA 1.022 58.743 58.000 -0.465 0.000 1.275 11 F CB -0.063 38.533 39.000 -0.674 0.000 1.008 11 F HN -0.088 nan 8.300 nan 0.000 0.480 12 L N 0.338 121.322 121.223 -0.397 0.000 2.217 12 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 12 L C 2.343 178.948 176.870 -0.443 0.000 1.107 12 L CA 0.733 55.291 54.840 -0.469 0.000 0.783 12 L CB -0.538 41.476 42.059 -0.075 0.000 0.919 12 L HN 0.048 nan 8.230 nan 0.000 0.442 13 K N -0.237 120.028 120.400 -0.225 0.000 2.097 13 K HA -0.064 4.256 4.320 -0.000 0.000 0.205 13 K C 0.550 177.032 176.600 -0.197 0.000 1.050 13 K CA 0.805 57.039 56.287 -0.087 0.000 0.938 13 K CB -0.346 32.150 32.500 -0.006 0.000 0.718 13 K HN 0.144 nan 8.250 nan 0.000 0.442 14 N N -0.122 118.367 118.700 -0.350 0.000 2.732 14 N HA 0.112 4.852 4.740 -0.000 0.000 0.247 14 N C -2.474 172.642 175.510 -0.657 0.000 1.305 14 N CA -1.280 51.553 53.050 -0.361 0.000 0.762 14 N CB 1.313 39.724 38.487 -0.128 0.000 1.361 14 N HN -0.225 nan 8.380 nan 0.000 0.545 15 P HA -0.027 nan 4.420 nan 0.000 0.229 15 P C 0.593 177.081 177.300 -1.353 0.000 1.160 15 P CA 0.771 62.853 63.100 -1.698 0.000 0.777 15 P CB 0.151 30.562 31.700 -2.149 0.000 0.814 16 Y N 1.183 121.160 120.300 -0.539 0.000 2.395 16 Y HA -0.097 4.453 4.550 -0.000 0.000 0.293 16 Y C 2.918 178.743 175.900 -0.124 0.000 1.123 16 Y CA 1.422 59.394 58.100 -0.213 0.000 1.227 16 Y CB -1.311 37.073 38.460 -0.126 0.000 1.012 16 Y HN 0.083 nan 8.280 nan 0.000 0.552 17 S N -0.206 115.476 115.700 -0.030 0.000 2.383 17 S HA -0.231 4.239 4.470 -0.000 0.000 0.227 17 S C 1.954 176.542 174.600 -0.019 0.000 1.026 17 S CA 0.844 59.042 58.200 -0.005 0.000 0.981 17 S CB -1.197 62.000 63.200 -0.005 0.000 0.818 17 S HN 0.434 nan 8.310 nan 0.000 0.472 18 F N 2.020 121.827 119.950 -0.238 0.000 2.102 18 F HA -0.079 4.448 4.527 -0.000 0.000 0.298 18 F C 2.024 177.733 175.800 -0.152 0.000 1.105 18 F CA 1.319 59.184 58.000 -0.225 0.000 1.239 18 F CB -0.580 38.273 39.000 -0.246 0.000 0.991 18 F HN 0.114 nan 8.300 nan 0.000 0.474 19 Y N 0.884 121.135 120.300 -0.082 0.000 2.165 19 Y HA -0.217 4.333 4.550 -0.000 0.000 0.286 19 Y C 2.487 178.286 175.900 -0.169 0.000 1.155 19 Y CA 1.205 59.205 58.100 -0.166 0.000 1.164 19 Y CB -1.467 36.992 38.460 -0.003 0.000 0.978 19 Y HN 0.129 nan 8.280 nan 0.000 0.513 20 D N -0.685 119.751 120.400 0.059 0.000 2.117 20 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 20 D C 2.258 178.535 176.300 -0.038 0.000 0.987 20 D CA 2.142 56.159 54.000 0.028 0.000 0.829 20 D CB -0.510 40.315 40.800 0.042 0.000 0.961 20 D HN 0.481 nan 8.370 nan 0.000 0.460 21 T N -0.883 113.607 114.554 -0.106 0.000 2.821 21 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 21 T C 2.130 176.725 174.700 -0.176 0.000 1.046 21 T CA 0.548 62.575 62.100 -0.122 0.000 1.139 21 T CB -0.402 68.383 68.868 -0.138 0.000 0.871 21 T HN -0.035 nan 8.240 nan 0.000 0.454 22 L N 1.027 122.050 121.223 -0.334 0.000 2.056 22 L HA 0.178 4.518 4.340 -0.000 0.000 0.207 22 L C 2.987 179.816 176.870 -0.069 0.000 1.078 22 L CA 1.513 56.114 54.840 -0.399 0.000 0.749 22 L CB -0.809 40.908 42.059 -0.569 0.000 0.901 22 L HN 0.233 nan 8.230 nan 0.000 0.433 23 R N -0.535 119.947 120.500 -0.029 0.000 2.096 23 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 23 R C 2.127 178.461 176.300 0.057 0.000 1.127 23 R CA 1.310 57.432 56.100 0.037 0.000 0.968 23 R CB -0.174 30.146 30.300 0.034 0.000 0.861 23 R HN 0.370 nan 8.270 nan 0.000 0.440 24 A N 0.091 122.939 122.820 0.046 0.000 1.969 24 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 24 A C 2.162 179.811 177.584 0.108 0.000 1.169 24 A CA 1.235 53.309 52.037 0.061 0.000 0.635 24 A CB -0.223 18.803 19.000 0.043 0.000 0.810 24 A HN 0.205 nan 8.150 nan 0.000 0.445 25 V N -0.922 119.088 119.914 0.159 0.000 2.239 25 V HA -0.011 4.109 4.120 -0.000 0.000 0.242 25 V C 1.165 177.461 176.094 0.337 0.000 1.038 25 V CA 1.641 64.093 62.300 0.253 0.000 1.002 25 V CB -0.440 31.617 31.823 0.390 0.000 0.641 25 V HN 0.742 nan 8.190 nan 0.000 0.449 26 H N -0.959 118.257 119.070 0.244 0.000 3.151 26 H HA 0.171 4.727 4.556 -0.000 0.000 0.333 26 H C -2.361 173.106 175.328 0.232 0.000 1.093 26 H CA -0.854 55.323 56.048 0.215 0.000 1.342 26 H CB 2.626 32.522 29.762 0.224 0.000 1.983 26 H HN -0.055 nan 8.280 nan 0.000 0.503 27 P HA -0.014 nan 4.420 nan 0.000 0.222 27 P C 0.355 177.747 177.300 0.154 0.000 1.147 27 P CA 0.984 64.089 63.100 0.007 0.000 0.790 27 P CB 0.733 32.373 31.700 -0.100 0.000 0.780 28 I N -0.471 120.291 120.570 0.319 0.000 2.405 28 I HA 0.240 4.410 4.170 -0.000 0.000 0.280 28 I C -0.654 175.908 176.117 0.741 0.000 1.027 28 I CA -1.123 60.475 61.300 0.497 0.000 1.161 28 I CB 0.921 39.137 38.000 0.359 0.000 1.300 28 I HN -0.197 nan 8.210 nan 0.000 0.463 29 Y N 6.897 127.519 120.300 0.536 0.000 2.342 29 Y HA 0.349 4.899 4.550 -0.000 0.000 0.338 29 Y C 0.152 176.254 175.900 0.338 0.000 0.965 29 Y CA -0.659 57.694 58.100 0.422 0.000 1.159 29 Y CB 1.091 39.748 38.460 0.328 0.000 1.157 29 Y HN 0.435 nan 8.280 nan 0.000 0.486 30 K N 4.857 125.081 120.400 -0.294 0.000 2.297 30 K HA 0.592 4.912 4.320 -0.000 0.000 0.286 30 K C -0.212 176.089 176.600 -0.499 0.000 1.053 30 K CA 0.265 56.127 56.287 -0.708 0.000 0.940 30 K CB 0.233 32.048 32.500 -1.142 0.000 1.019 30 K HN 0.977 nan 8.250 nan 0.000 0.475 31 G N 0.769 109.469 108.800 -0.166 0.000 2.427 31 G HA2 0.305 4.265 3.960 -0.000 0.000 0.306 31 G HA3 0.305 4.265 3.960 -0.000 0.000 0.306 31 G C -1.666 173.172 174.900 -0.104 0.000 1.280 31 G CA -0.597 44.417 45.100 -0.143 0.000 0.837 31 G HN 0.454 nan 8.290 nan 0.000 0.482 32 S N -0.949 114.465 115.700 -0.476 0.000 2.614 32 S HA 0.776 5.246 4.470 -0.000 0.000 0.275 32 S C -1.980 172.190 174.600 -0.716 0.000 1.161 32 S CA -0.589 57.419 58.200 -0.320 0.000 0.969 32 S CB 0.577 63.665 63.200 -0.187 0.000 1.059 32 S HN 0.621 nan 8.310 nan 0.000 0.482 33 F N 3.616 123.611 119.950 0.075 0.000 2.561 33 F HA 0.552 5.079 4.527 -0.000 0.000 0.313 33 F C 0.526 176.392 175.800 0.111 0.000 1.126 33 F CA -1.011 57.016 58.000 0.044 0.000 0.918 33 F CB 1.531 40.501 39.000 -0.049 0.000 1.199 33 F HN 0.565 nan 8.300 nan 0.000 0.444 34 L N 4.028 125.371 121.223 0.200 0.000 3.737 34 L HA -0.379 3.961 4.340 -0.000 0.000 0.418 34 L C 0.471 177.276 176.870 -0.109 0.000 1.216 34 L CA 0.295 55.167 54.840 0.052 0.000 0.915 34 L CB -0.976 41.138 42.059 0.093 0.000 1.834 34 L HN 0.784 nan 8.230 nan 0.000 0.943 35 K N -3.343 116.969 120.400 -0.147 0.000 3.446 35 K HA -0.192 4.128 4.320 -0.000 0.000 0.312 35 K C -0.559 175.755 176.600 -0.476 0.000 1.329 35 K CA 1.295 57.399 56.287 -0.305 0.000 0.935 35 K CB -1.814 30.460 32.500 -0.377 0.000 1.281 35 K HN 0.503 nan 8.250 nan 0.000 0.457 36 Y N 1.647 121.862 120.300 -0.142 0.000 2.478 36 Y HA 0.307 4.857 4.550 -0.000 0.000 0.329 36 Y C -1.895 174.084 175.900 0.132 0.000 0.967 36 Y CA -2.373 55.663 58.100 -0.106 0.000 1.255 36 Y CB 1.258 39.429 38.460 -0.482 0.000 1.103 36 Y HN -0.089 nan 8.280 nan 0.000 0.497 37 P HA 0.554 nan 4.420 nan 0.000 0.284 37 P C 0.141 177.628 177.300 0.312 0.000 1.253 37 P CA 0.116 63.340 63.100 0.206 0.000 0.800 37 P CB 2.307 34.043 31.700 0.060 0.000 0.961 38 G N 1.223 110.178 108.800 0.258 0.000 2.344 38 G HA2 0.254 4.214 3.960 -0.000 0.000 0.282 38 G HA3 0.254 4.214 3.960 -0.000 0.000 0.282 38 G C -2.250 172.656 174.900 0.011 0.000 1.281 38 G CA -0.875 44.307 45.100 0.136 0.000 0.877 38 G HN 0.320 nan 8.290 nan 0.000 0.494 39 W N 0.467 121.846 121.300 0.131 0.000 2.349 39 W HA 0.681 5.341 4.660 -0.000 0.000 0.309 39 W C -0.951 175.637 176.519 0.115 0.000 1.083 39 W CA -0.487 56.966 57.345 0.181 0.000 1.224 39 W CB 1.034 30.566 29.460 0.119 0.000 1.256 39 W HN 0.366 nan 8.180 nan 0.000 0.461 40 Y N 2.866 123.505 120.300 0.564 0.000 2.369 40 Y HA 0.435 4.985 4.550 -0.000 0.000 0.337 40 Y C 0.103 176.209 175.900 0.343 0.000 0.961 40 Y CA -1.006 57.377 58.100 0.471 0.000 1.186 40 Y CB 0.888 39.661 38.460 0.521 0.000 1.139 40 Y HN -0.010 nan 8.280 nan 0.000 0.494 41 V N 3.310 123.402 119.914 0.298 0.000 2.364 41 V HA 0.165 4.285 4.120 -0.000 0.000 0.272 41 V C 0.642 176.784 176.094 0.081 0.000 1.036 41 V CA -0.184 62.218 62.300 0.169 0.000 0.880 41 V CB 1.074 32.929 31.823 0.054 0.000 0.991 41 V HN 0.955 nan 8.190 nan 0.000 0.460 42 T N 0.502 115.101 114.554 0.074 0.000 3.010 42 T HA 0.227 4.577 4.350 -0.000 0.000 0.257 42 T C 0.879 175.592 174.700 0.021 0.000 1.020 42 T CA 0.393 62.496 62.100 0.006 0.000 0.938 42 T CB 0.422 69.301 68.868 0.017 0.000 1.049 42 T HN 0.720 nan 8.240 nan 0.000 0.522 43 G N 0.132 108.951 108.800 0.032 0.000 2.372 43 G HA2 0.419 4.379 3.960 -0.000 0.000 0.283 43 G HA3 0.419 4.379 3.960 -0.000 0.000 0.283 43 G C 0.063 174.995 174.900 0.053 0.000 1.177 43 G CA -0.670 44.455 45.100 0.043 0.000 0.842 43 G HN 0.250 nan 8.290 nan 0.000 0.503 44 Y N 1.329 121.615 120.300 -0.023 0.000 2.089 44 Y HA -0.169 4.381 4.550 -0.000 0.000 0.282 44 Y C 2.603 178.463 175.900 -0.067 0.000 1.139 44 Y CA 2.216 60.298 58.100 -0.031 0.000 1.123 44 Y CB 0.301 38.750 38.460 -0.018 0.000 0.980 44 Y HN 0.519 nan 8.280 nan 0.000 0.493 45 E N 0.321 120.641 120.200 0.200 0.000 2.110 45 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 45 E C 1.892 178.471 176.600 -0.035 0.000 0.988 45 E CA 1.527 57.980 56.400 0.088 0.000 0.804 45 E CB -0.162 29.591 29.700 0.088 0.000 0.745 45 E HN 0.628 nan 8.360 nan 0.000 0.458 46 E N 0.092 120.268 120.200 -0.040 0.000 2.072 46 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 46 E C 2.150 178.667 176.600 -0.138 0.000 0.985 46 E CA 1.426 57.782 56.400 -0.073 0.000 0.801 46 E CB -0.410 29.263 29.700 -0.045 0.000 0.750 46 E HN 0.116 nan 8.360 nan 0.000 0.452 47 T N 0.645 115.104 114.554 -0.158 0.000 2.674 47 T HA -0.198 4.152 4.350 -0.000 0.000 0.265 47 T C 1.984 176.546 174.700 -0.231 0.000 1.039 47 T CA 1.538 63.514 62.100 -0.205 0.000 1.150 47 T CB -0.513 68.224 68.868 -0.218 0.000 0.864 47 T HN 0.293 nan 8.240 nan 0.000 0.427 48 A N 1.513 124.145 122.820 -0.313 0.000 1.908 48 A HA 0.042 4.362 4.320 -0.000 0.000 0.218 48 A C 2.643 180.197 177.584 -0.050 0.000 1.181 48 A CA 2.100 53.972 52.037 -0.275 0.000 0.627 48 A CB -1.184 17.537 19.000 -0.464 0.000 0.818 48 A HN 0.530 nan 8.150 nan 0.000 0.445 49 A N -0.289 122.483 122.820 -0.080 0.000 1.902 49 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 49 A C 2.133 179.677 177.584 -0.067 0.000 1.181 49 A CA 1.540 53.556 52.037 -0.036 0.000 0.623 49 A CB -0.585 18.397 19.000 -0.030 0.000 0.818 49 A HN 0.501 nan 8.150 nan 0.000 0.443 50 I N -0.431 120.008 120.570 -0.219 0.000 2.252 50 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 50 I C 2.280 178.249 176.117 -0.247 0.000 1.102 50 I CA 1.046 62.048 61.300 -0.496 0.000 1.385 50 I CB -0.262 37.236 38.000 -0.837 0.000 1.064 50 I HN 0.267 nan 8.210 nan 0.000 0.414 51 L N 0.240 121.380 121.223 -0.138 0.000 2.201 51 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 51 L C 2.362 179.220 176.870 -0.019 0.000 1.105 51 L CA 1.300 56.115 54.840 -0.040 0.000 0.775 51 L CB -0.413 41.656 42.059 0.016 0.000 0.913 51 L HN 0.170 nan 8.230 nan 0.000 0.440 52 K N -0.849 119.544 120.400 -0.012 0.000 2.305 52 K HA -0.057 4.263 4.320 -0.000 0.000 0.199 52 K C 0.387 176.967 176.600 -0.033 0.000 1.047 52 K CA 0.176 56.411 56.287 -0.088 0.000 0.976 52 K CB 0.121 32.587 32.500 -0.056 0.000 0.765 52 K HN 0.069 nan 8.250 nan 0.000 0.474 53 D N 0.316 120.762 120.400 0.078 0.000 2.339 53 D HA 0.117 4.757 4.640 -0.000 0.000 0.241 53 D C 0.395 176.816 176.300 0.202 0.000 1.183 53 D CA -0.127 53.974 54.000 0.169 0.000 0.859 53 D CB 1.476 42.471 40.800 0.324 0.000 1.067 53 D HN 0.113 nan 8.370 nan 0.000 0.484 54 A N 4.850 127.751 122.820 0.135 0.000 2.172 54 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 54 A C 2.008 179.642 177.584 0.083 0.000 1.154 54 A CA 0.681 52.804 52.037 0.142 0.000 0.701 54 A CB -0.103 18.992 19.000 0.158 0.000 0.789 54 A HN 0.600 nan 8.150 nan 0.000 0.465 55 R N -1.361 119.151 120.500 0.021 0.000 2.115 55 R HA -0.033 4.307 4.340 -0.000 0.000 0.230 55 R C -0.472 175.705 176.300 -0.206 0.000 1.111 55 R CA 0.516 56.543 56.100 -0.121 0.000 0.976 55 R CB -0.240 29.921 30.300 -0.231 0.000 0.870 55 R HN 0.499 nan 8.270 nan 0.000 0.445 56 F N 2.222 122.166 119.950 -0.010 0.000 2.462 56 F HA 0.153 4.680 4.527 -0.000 0.000 0.360 56 F C 0.621 176.417 175.800 -0.006 0.000 1.134 56 F CA 0.043 58.030 58.000 -0.021 0.000 1.148 56 F CB 0.403 39.382 39.000 -0.035 0.000 1.147 56 F HN -0.304 nan 8.300 nan 0.000 0.550 57 K N 2.727 123.199 120.400 0.120 0.000 2.098 57 K HA 0.535 4.855 4.320 -0.000 0.000 0.261 57 K C -0.250 176.383 176.600 0.054 0.000 0.987 57 K CA -0.950 55.386 56.287 0.082 0.000 0.916 57 K CB 1.910 34.440 32.500 0.050 0.000 1.039 57 K HN 0.449 nan 8.250 nan 0.000 0.455 58 V N 0.340 120.260 119.914 0.010 0.000 3.051 58 V HA 0.463 4.583 4.120 -0.000 0.000 0.306 58 V C -0.094 176.031 176.094 0.052 0.000 1.083 58 V CA -0.443 61.843 62.300 -0.024 0.000 1.104 58 V CB 0.899 32.600 31.823 -0.204 0.000 1.027 58 V HN 0.906 nan 8.190 nan 0.000 0.483 59 R N 1.164 121.719 120.500 0.092 0.000 2.710 59 R HA 0.387 4.727 4.340 -0.000 0.000 0.270 59 R C -0.535 175.750 176.300 -0.025 0.000 1.021 59 R CA -0.038 56.094 56.100 0.054 0.000 0.889 59 R CB 0.818 31.127 30.300 0.016 0.000 1.243 59 R HN 0.883 nan 8.270 nan 0.000 0.464 60 T N 2.151 116.633 114.554 -0.119 0.000 2.928 60 T HA 0.152 4.502 4.350 -0.000 0.000 0.305 60 T C -1.312 173.165 174.700 -0.373 0.000 1.035 60 T CA -0.955 60.916 62.100 -0.380 0.000 1.145 60 T CB 0.349 69.106 68.868 -0.186 0.000 0.963 60 T HN 0.494 nan 8.240 nan 0.000 0.545 61 P HA 0.166 nan 4.420 nan 0.000 0.242 61 P C -0.086 177.129 177.300 -0.141 0.000 1.197 61 P CA 0.435 63.357 63.100 -0.297 0.000 0.765 61 P CB 0.162 31.666 31.700 -0.327 0.000 0.936 62 L N -0.094 121.052 121.223 -0.127 0.000 2.341 62 L HA 0.510 4.850 4.340 -0.000 0.000 0.267 62 L C -2.462 174.404 176.870 -0.006 0.000 1.009 62 L CA -3.087 51.742 54.840 -0.018 0.000 0.819 62 L CB 1.700 43.774 42.059 0.026 0.000 1.323 62 L HN -0.391 nan 8.230 nan 0.000 0.425 63 P HA -0.047 nan 4.420 nan 0.000 0.265 63 P C 0.187 177.499 177.300 0.020 0.000 1.187 63 P CA -0.001 63.117 63.100 0.030 0.000 0.766 63 P CB 0.435 32.160 31.700 0.041 0.000 0.820 64 E N 0.864 121.073 120.200 0.016 0.000 2.118 64 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 64 E C 0.609 177.224 176.600 0.024 0.000 0.992 64 E CA 1.358 57.768 56.400 0.016 0.000 0.804 64 E CB -0.542 29.169 29.700 0.018 0.000 0.741 64 E HN 0.219 nan 8.360 nan 0.000 0.458 65 S N 0.345 116.058 115.700 0.022 0.000 2.572 65 S HA 0.095 4.565 4.470 -0.000 0.000 0.228 65 S C 0.192 174.802 174.600 0.016 0.000 0.963 65 S CA -0.233 57.979 58.200 0.020 0.000 0.939 65 S CB 0.608 63.817 63.200 0.015 0.000 0.804 65 S HN 0.243 nan 8.310 nan 0.000 0.480 66 S N 2.515 118.227 115.700 0.021 0.000 2.528 66 S HA 0.204 4.674 4.470 -0.000 0.000 0.277 66 S C 0.985 175.591 174.600 0.011 0.000 1.297 66 S CA -0.257 57.951 58.200 0.014 0.000 1.052 66 S CB 0.441 63.661 63.200 0.034 0.000 0.917 66 S HN 0.450 nan 8.310 nan 0.000 0.492 67 T N 2.079 116.619 114.554 -0.022 0.000 3.182 67 T HA 0.324 4.674 4.350 -0.000 0.000 0.277 67 T C 1.146 175.787 174.700 -0.098 0.000 1.013 67 T CA -0.514 61.567 62.100 -0.031 0.000 0.900 67 T CB 0.117 68.969 68.868 -0.026 0.000 1.098 67 T HN 0.601 nan 8.240 nan 0.000 0.543 68 K N 0.914 121.204 120.400 -0.182 0.000 2.097 68 K HA -0.007 4.313 4.320 -0.000 0.000 0.205 68 K C -0.452 175.762 176.600 -0.644 0.000 1.050 68 K CA 1.015 57.038 56.287 -0.439 0.000 0.938 68 K CB 0.069 32.218 32.500 -0.585 0.000 0.718 68 K HN 0.550 nan 8.250 nan 0.000 0.442 69 Y N 0.599 120.907 120.300 0.014 0.000 2.747 69 Y HA 0.175 4.725 4.550 -0.000 0.000 0.362 69 Y C 1.047 176.961 175.900 0.023 0.000 1.026 69 Y CA -0.598 57.513 58.100 0.017 0.000 1.135 69 Y CB 0.850 39.322 38.460 0.019 0.000 1.175 69 Y HN 0.063 nan 8.280 nan 0.000 0.643 70 Q N 1.114 120.966 119.800 0.087 0.000 2.096 70 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 70 Q C 0.883 176.943 176.000 0.099 0.000 0.982 70 Q CA 2.333 58.176 55.803 0.066 0.000 0.850 70 Q CB 0.249 28.997 28.738 0.016 0.000 0.901 70 Q HN 0.679 nan 8.270 nan 0.000 0.422 71 D N 0.165 120.624 120.400 0.097 0.000 2.137 71 D HA -0.131 4.509 4.640 -0.000 0.000 0.202 71 D C 2.030 178.405 176.300 0.124 0.000 0.970 71 D CA 0.663 54.724 54.000 0.101 0.000 0.837 71 D CB -0.024 40.814 40.800 0.063 0.000 0.981 71 D HN 0.236 nan 8.370 nan 0.000 0.475 72 L N 1.442 122.735 121.223 0.117 0.000 2.012 72 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 72 L C 2.308 179.236 176.870 0.097 0.000 1.073 72 L CA 1.633 56.529 54.840 0.092 0.000 0.748 72 L CB -0.707 41.398 42.059 0.075 0.000 0.891 72 L HN -0.182 nan 8.230 nan 0.000 0.431 73 S N -1.394 114.380 115.700 0.123 0.000 2.359 73 S HA -0.289 4.181 4.470 -0.000 0.000 0.224 73 S C 1.970 176.635 174.600 0.109 0.000 1.035 73 S CA 1.526 59.785 58.200 0.099 0.000 1.018 73 S CB -0.602 62.662 63.200 0.107 0.000 0.876 73 S HN 0.763 nan 8.310 nan 0.000 0.448 74 H N 0.988 120.084 119.070 0.044 0.000 2.353 74 H HA -0.024 4.532 4.556 -0.000 0.000 0.300 74 H C 1.858 177.214 175.328 0.048 0.000 1.090 74 H CA 1.808 57.881 56.048 0.041 0.000 1.327 74 H CB -0.421 29.361 29.762 0.033 0.000 1.383 74 H HN 0.152 nan 8.280 nan 0.000 0.508 75 V N 0.638 120.576 119.914 0.040 0.000 2.295 75 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 75 V C 2.384 178.488 176.094 0.016 0.000 1.049 75 V CA 2.213 64.508 62.300 -0.009 0.000 1.024 75 V CB -0.604 31.242 31.823 0.038 0.000 0.648 75 V HN 0.520 nan 8.190 nan 0.000 0.447 76 Q N 0.166 120.007 119.800 0.068 0.000 2.061 76 Q HA -0.224 4.116 4.340 -0.000 0.000 0.204 76 Q C 2.065 178.186 176.000 0.202 0.000 0.984 76 Q CA 1.838 57.735 55.803 0.158 0.000 0.846 76 Q CB -0.296 28.467 28.738 0.042 0.000 0.902 76 Q HN 0.620 nan 8.270 nan 0.000 0.421 77 N N 0.327 119.070 118.700 0.072 0.000 2.459 77 N HA -0.102 4.638 4.740 -0.000 0.000 0.181 77 N C 1.100 176.645 175.510 0.057 0.000 1.046 77 N CA 0.806 53.900 53.050 0.073 0.000 0.904 77 N CB 0.052 38.556 38.487 0.029 0.000 0.964 77 N HN 0.316 nan 8.380 nan 0.000 0.444 78 Q N -0.458 119.333 119.800 -0.014 0.000 2.425 78 Q HA 0.196 4.536 4.340 -0.000 0.000 0.204 78 Q C 0.019 176.029 176.000 0.017 0.000 0.933 78 Q CA 0.128 55.907 55.803 -0.040 0.000 0.939 78 Q CB 0.232 28.879 28.738 -0.151 0.000 1.044 78 Q HN 0.391 nan 8.270 nan 0.000 0.513 79 M N 0.969 120.611 119.600 0.071 0.000 2.233 79 M HA 0.093 4.573 4.480 -0.000 0.000 0.350 79 M C 1.414 177.737 176.300 0.039 0.000 1.176 79 M CA -0.113 55.209 55.300 0.037 0.000 1.150 79 M CB 0.962 33.577 32.600 0.025 0.000 1.530 79 M HN 0.168 nan 8.290 nan 0.000 0.459 80 M N 1.312 120.929 119.600 0.029 0.000 2.267 80 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 80 M C 1.447 177.849 176.300 0.170 0.000 1.063 80 M CA 1.721 57.102 55.300 0.134 0.000 1.090 80 M CB -0.601 32.065 32.600 0.109 0.000 1.392 80 M HN 0.655 nan 8.290 nan 0.000 0.422 81 L N 0.620 121.778 121.223 -0.108 0.000 2.191 81 L HA -0.026 4.314 4.340 -0.000 0.000 0.212 81 L C 0.839 177.395 176.870 -0.523 0.000 1.103 81 L CA 1.748 56.357 54.840 -0.385 0.000 0.769 81 L CB -0.340 41.271 42.059 -0.747 0.000 0.908 81 L HN 0.306 nan 8.230 nan 0.000 0.438 82 F N -1.248 118.715 119.950 0.022 0.000 2.698 82 F HA 0.381 4.908 4.527 -0.000 0.000 0.304 82 F C 0.610 176.426 175.800 0.027 0.000 1.108 82 F CA -0.819 57.174 58.000 -0.012 0.000 1.263 82 F CB -0.241 38.761 39.000 0.004 0.000 1.013 82 F HN -0.032 nan 8.300 nan 0.000 0.532 83 Q N 0.820 120.742 119.800 0.205 0.000 2.274 83 Q HA 0.381 4.721 4.340 -0.000 0.000 0.260 83 Q C -0.245 175.881 176.000 0.211 0.000 0.974 83 Q CA -0.300 55.620 55.803 0.196 0.000 0.876 83 Q CB 2.382 31.233 28.738 0.188 0.000 1.297 83 Q HN 0.216 nan 8.270 nan 0.000 0.446 84 N N 0.632 119.425 118.700 0.156 0.000 2.776 84 N HA 0.234 4.974 4.740 -0.000 0.000 0.319 84 N C -0.427 175.154 175.510 0.120 0.000 1.316 84 N CA -0.633 52.498 53.050 0.135 0.000 0.890 84 N CB 0.780 39.324 38.487 0.095 0.000 1.165 84 N HN 0.356 nan 8.380 nan 0.000 0.596 85 Q N 0.904 120.750 119.800 0.075 0.000 2.361 85 Q HA 0.118 4.458 4.340 -0.000 0.000 0.276 85 Q C -1.410 174.612 176.000 0.037 0.000 1.022 85 Q CA -0.910 54.919 55.803 0.044 0.000 0.898 85 Q CB 0.431 29.175 28.738 0.010 0.000 1.246 85 Q HN 0.427 nan 8.270 nan 0.000 0.410 86 P HA 0.044 nan 4.420 nan 0.000 0.267 86 P C -0.292 177.018 177.300 0.017 0.000 1.289 86 P CA 0.286 63.393 63.100 0.011 0.000 0.866 86 P CB 0.502 32.201 31.700 -0.002 0.000 1.309 87 D N -0.389 120.037 120.400 0.043 0.000 2.144 87 D HA -0.199 4.441 4.640 -0.000 0.000 0.199 87 D C 1.734 178.063 176.300 0.049 0.000 0.984 87 D CA 1.000 55.026 54.000 0.042 0.000 0.834 87 D CB -0.339 40.497 40.800 0.059 0.000 0.955 87 D HN 0.417 nan 8.370 nan 0.000 0.465 88 H N 1.653 120.720 119.070 -0.006 0.000 2.267 88 H HA -0.145 4.411 4.556 -0.000 0.000 0.297 88 H C 2.303 177.591 175.328 -0.066 0.000 1.080 88 H CA 1.863 57.898 56.048 -0.023 0.000 1.278 88 H CB 0.203 29.941 29.762 -0.040 0.000 1.365 88 H HN -0.092 nan 8.280 nan 0.000 0.489 89 R N 1.176 121.511 120.500 -0.275 0.000 2.083 89 R HA -0.132 4.207 4.340 -0.000 0.000 0.237 89 R C 2.804 178.969 176.300 -0.225 0.000 1.137 89 R CA 1.952 57.862 56.100 -0.316 0.000 0.951 89 R CB -0.708 29.494 30.300 -0.164 0.000 0.851 89 R HN 0.373 nan 8.270 nan 0.000 0.434 90 R N -0.065 120.355 120.500 -0.134 0.000 2.080 90 R HA -0.136 4.204 4.340 -0.000 0.000 0.236 90 R C 2.236 178.478 176.300 -0.096 0.000 1.137 90 R CA 2.102 58.149 56.100 -0.089 0.000 0.943 90 R CB -0.479 29.791 30.300 -0.050 0.000 0.846 90 R HN 0.316 nan 8.270 nan 0.000 0.431 91 L N 0.095 121.257 121.223 -0.102 0.000 2.046 91 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 91 L C 2.965 179.770 176.870 -0.110 0.000 1.077 91 L CA 1.641 56.433 54.840 -0.079 0.000 0.747 91 L CB -0.500 41.533 42.059 -0.043 0.000 0.896 91 L HN 0.283 nan 8.230 nan 0.000 0.432 92 R N -0.220 120.147 120.500 -0.223 0.000 2.070 92 R HA -0.158 4.182 4.340 -0.000 0.000 0.233 92 R C 2.260 178.487 176.300 -0.122 0.000 1.137 92 R CA 2.100 58.068 56.100 -0.219 0.000 0.945 92 R CB -0.337 29.698 30.300 -0.441 0.000 0.845 92 R HN 0.239 nan 8.270 nan 0.000 0.430 93 T N 1.457 115.933 114.554 -0.131 0.000 2.759 93 T HA -0.134 4.216 4.350 -0.000 0.000 0.269 93 T C 1.759 176.439 174.700 -0.034 0.000 1.042 93 T CA 1.388 63.444 62.100 -0.074 0.000 1.140 93 T CB -0.126 68.696 68.868 -0.077 0.000 0.864 93 T HN 0.180 nan 8.240 nan 0.000 0.455 94 L N 0.418 121.620 121.223 -0.035 0.000 2.141 94 L HA 0.034 4.374 4.340 -0.000 0.000 0.209 94 L C 2.743 179.624 176.870 0.018 0.000 1.094 94 L CA 1.022 55.855 54.840 -0.011 0.000 0.763 94 L CB -0.380 41.670 42.059 -0.016 0.000 0.908 94 L HN 0.233 nan 8.230 nan 0.000 0.437 95 A N -0.898 121.943 122.820 0.035 0.000 2.132 95 A HA -0.045 4.275 4.320 -0.000 0.000 0.213 95 A C 2.368 180.078 177.584 0.209 0.000 1.154 95 A CA 0.851 52.955 52.037 0.111 0.000 0.753 95 A CB -0.328 18.733 19.000 0.103 0.000 0.826 95 A HN 0.433 nan 8.150 nan 0.000 0.469 96 S N -0.395 115.384 115.700 0.132 0.000 2.447 96 S HA 0.006 4.476 4.470 -0.000 0.000 0.233 96 S C 1.895 176.586 174.600 0.150 0.000 1.006 96 S CA 1.052 59.354 58.200 0.170 0.000 0.957 96 S CB -0.802 62.436 63.200 0.062 0.000 0.773 96 S HN 0.576 nan 8.310 nan 0.000 0.507 97 G N 1.482 110.323 108.800 0.068 0.000 2.432 97 G HA2 0.061 4.021 3.960 -0.000 0.000 0.219 97 G HA3 0.061 4.021 3.960 -0.000 0.000 0.219 97 G C 1.436 176.295 174.900 -0.067 0.000 1.135 97 G CA 0.570 45.670 45.100 -0.000 0.000 0.767 97 G HN 0.791 nan 8.290 nan 0.000 0.550 98 A N -0.614 122.113 122.820 -0.155 0.000 2.238 98 A HA 0.496 4.816 4.320 -0.000 0.000 0.208 98 A C 1.085 178.266 177.584 -0.671 0.000 1.177 98 A CA 0.302 52.070 52.037 -0.449 0.000 0.804 98 A CB -0.126 18.471 19.000 -0.672 0.000 0.823 98 A HN 0.297 nan 8.150 nan 0.000 0.482 99 F N -0.194 119.788 119.950 0.053 0.000 2.817 99 F HA 0.135 4.662 4.527 -0.000 0.000 0.319 99 F C 1.155 176.952 175.800 -0.005 0.000 1.136 99 F CA -0.160 57.869 58.000 0.049 0.000 1.177 99 F CB -0.230 38.794 39.000 0.040 0.000 1.088 99 F HN 0.061 nan 8.300 nan 0.000 0.520 100 T N -2.016 112.575 114.554 0.063 0.000 2.903 100 T HA 0.082 4.432 4.350 -0.000 0.000 0.314 100 T C -1.592 173.099 174.700 -0.016 0.000 1.078 100 T CA -1.178 60.930 62.100 0.014 0.000 1.114 100 T CB 1.082 69.934 68.868 -0.025 0.000 0.987 100 T HN -0.150 nan 8.240 nan 0.000 0.548 101 P HA -0.129 nan 4.420 nan 0.000 0.216 101 P C 1.682 178.946 177.300 -0.060 0.000 1.154 101 P CA 1.124 64.209 63.100 -0.026 0.000 0.865 101 P CB 0.047 31.735 31.700 -0.020 0.000 0.789 102 R N -1.035 119.422 120.500 -0.073 0.000 2.073 102 R HA -0.063 4.277 4.340 -0.000 0.000 0.229 102 R C 1.945 178.144 176.300 -0.169 0.000 1.120 102 R CA 1.851 57.894 56.100 -0.096 0.000 0.967 102 R CB -0.755 29.499 30.300 -0.076 0.000 0.862 102 R HN 0.099 nan 8.270 nan 0.000 0.436 103 T N -0.099 114.327 114.554 -0.213 0.000 2.821 103 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 103 T C 1.635 175.909 174.700 -0.711 0.000 1.046 103 T CA 1.723 63.588 62.100 -0.393 0.000 1.139 103 T CB -0.203 68.470 68.868 -0.324 0.000 0.871 103 T HN 0.356 nan 8.240 nan 0.000 0.454 104 T N 1.708 116.015 114.554 -0.411 0.000 2.746 104 T HA -0.102 4.247 4.350 -0.000 0.000 0.267 104 T C 1.865 176.441 174.700 -0.206 0.000 1.039 104 T CA 1.111 63.050 62.100 -0.269 0.000 1.142 104 T CB -0.236 68.647 68.868 0.024 0.000 0.866 104 T HN 0.486 nan 8.240 nan 0.000 0.444 105 E N 1.139 121.246 120.200 -0.155 0.000 2.160 105 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 105 E C 2.206 178.747 176.600 -0.097 0.000 0.991 105 E CA 1.321 57.672 56.400 -0.081 0.000 0.810 105 E CB -0.067 29.595 29.700 -0.063 0.000 0.742 105 E HN 0.605 nan 8.360 nan 0.000 0.466 106 S N -0.652 114.914 115.700 -0.224 0.000 2.515 106 S HA -0.099 4.371 4.470 -0.000 0.000 0.231 106 S C 1.361 175.926 174.600 -0.058 0.000 0.987 106 S CA 0.270 58.366 58.200 -0.173 0.000 0.936 106 S CB -0.295 62.762 63.200 -0.239 0.000 0.766 106 S HN 0.286 nan 8.310 nan 0.000 0.528 107 Y N 1.695 122.006 120.300 0.017 0.000 2.519 107 Y HA 0.259 4.809 4.550 -0.000 0.000 0.287 107 Y C 2.526 178.480 175.900 0.090 0.000 1.128 107 Y CA -0.288 57.840 58.100 0.047 0.000 1.282 107 Y CB -0.992 37.489 38.460 0.035 0.000 1.027 107 Y HN 0.414 nan 8.280 nan 0.000 0.551 108 Q N 0.835 120.747 119.800 0.188 0.000 2.077 108 Q HA -0.187 4.153 4.340 -0.000 0.000 0.206 108 Q C -0.783 175.295 176.000 0.130 0.000 0.989 108 Q CA 2.396 58.281 55.803 0.136 0.000 0.853 108 Q CB -0.845 27.942 28.738 0.081 0.000 0.907 108 Q HN 0.226 nan 8.270 nan 0.000 0.418 109 P HA -0.212 nan 4.420 nan 0.000 0.214 109 P C 0.657 178.039 177.300 0.136 0.000 1.163 109 P CA 1.351 64.520 63.100 0.116 0.000 0.889 109 P CB -0.320 31.447 31.700 0.111 0.000 0.790 110 Y N -0.088 120.250 120.300 0.063 0.000 2.224 110 Y HA -0.154 4.396 4.550 -0.000 0.000 0.289 110 Y C 2.080 177.996 175.900 0.027 0.000 1.146 110 Y CA 1.320 59.444 58.100 0.040 0.000 1.182 110 Y CB -0.802 37.685 38.460 0.046 0.000 0.983 110 Y HN -0.161 nan 8.280 nan 0.000 0.524 111 I N -0.460 120.180 120.570 0.117 0.000 2.202 111 I HA -0.307 3.863 4.170 -0.000 0.000 0.242 111 I C 2.198 178.287 176.117 -0.046 0.000 1.091 111 I CA 1.425 62.739 61.300 0.024 0.000 1.368 111 I CB -0.394 37.658 38.000 0.087 0.000 1.058 111 I HN 0.168 nan 8.210 nan 0.000 0.410 112 I N 0.623 121.196 120.570 0.005 0.000 2.208 112 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 112 I C 2.649 178.793 176.117 0.044 0.000 1.097 112 I CA 1.581 62.893 61.300 0.019 0.000 1.363 112 I CB -0.457 37.598 38.000 0.091 0.000 1.051 112 I HN 0.317 nan 8.210 nan 0.000 0.413 113 E N 0.714 120.910 120.200 -0.007 0.000 2.038 113 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 113 E C 2.088 178.620 176.600 -0.114 0.000 1.000 113 E CA 2.154 58.527 56.400 -0.045 0.000 0.803 113 E CB 0.021 29.641 29.700 -0.133 0.000 0.750 113 E HN 0.421 nan 8.360 nan 0.000 0.448 114 T N 0.518 114.894 114.554 -0.296 0.000 2.746 114 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 114 T C 1.950 176.596 174.700 -0.090 0.000 1.039 114 T CA 1.190 63.103 62.100 -0.311 0.000 1.142 114 T CB -0.187 68.385 68.868 -0.492 0.000 0.866 114 T HN 0.023 nan 8.240 nan 0.000 0.444 115 V N 1.332 121.209 119.914 -0.062 0.000 2.287 115 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 115 V C 2.509 178.606 176.094 0.005 0.000 1.053 115 V CA 1.667 63.990 62.300 0.038 0.000 1.027 115 V CB -0.637 31.167 31.823 -0.031 0.000 0.646 115 V HN 0.569 nan 8.190 nan 0.000 0.447 116 H N -0.883 118.204 119.070 0.028 0.000 2.353 116 H HA -0.184 4.372 4.556 -0.000 0.000 0.300 116 H C 2.367 177.692 175.328 -0.005 0.000 1.090 116 H CA 2.192 58.237 56.048 -0.005 0.000 1.327 116 H CB -0.381 29.375 29.762 -0.011 0.000 1.383 116 H HN 0.649 nan 8.280 nan 0.000 0.508 117 H N 0.735 119.823 119.070 0.030 0.000 2.387 117 H HA -0.050 4.506 4.556 -0.000 0.000 0.299 117 H C 2.308 177.620 175.328 -0.028 0.000 1.090 117 H CA 1.292 57.319 56.048 -0.036 0.000 1.332 117 H CB -0.316 29.371 29.762 -0.125 0.000 1.386 117 H HN 0.160 nan 8.280 nan 0.000 0.516 118 L N -0.348 120.809 121.223 -0.109 0.000 2.109 118 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 118 L C 2.307 179.122 176.870 -0.092 0.000 1.086 118 L CA 0.726 55.512 54.840 -0.089 0.000 0.760 118 L CB -0.208 41.944 42.059 0.155 0.000 0.910 118 L HN 0.313 nan 8.230 nan 0.000 0.437 119 L N -0.724 120.432 121.223 -0.111 0.000 2.291 119 L HA -0.141 4.199 4.340 -0.000 0.000 0.214 119 L C 1.924 178.710 176.870 -0.139 0.000 1.120 119 L CA 0.476 55.188 54.840 -0.213 0.000 0.799 119 L CB -0.505 41.383 42.059 -0.286 0.000 0.925 119 L HN 0.242 nan 8.230 nan 0.000 0.446 120 D N 0.166 120.504 120.400 -0.102 0.000 2.144 120 D HA -0.174 4.466 4.640 -0.000 0.000 0.200 120 D C 2.154 178.406 176.300 -0.081 0.000 0.978 120 D CA 1.098 55.052 54.000 -0.076 0.000 0.833 120 D CB -0.037 40.726 40.800 -0.062 0.000 0.961 120 D HN 0.385 nan 8.370 nan 0.000 0.470 121 Q N -0.002 119.720 119.800 -0.130 0.000 2.488 121 Q HA -0.024 4.316 4.340 -0.000 0.000 0.211 121 Q C 1.648 177.635 176.000 -0.021 0.000 0.967 121 Q CA 0.606 56.355 55.803 -0.091 0.000 0.926 121 Q CB 0.599 29.256 28.738 -0.135 0.000 0.992 121 Q HN 0.324 nan 8.270 nan 0.000 0.506 122 V N -4.551 115.361 119.914 -0.003 0.000 3.502 122 V HA 0.093 4.213 4.120 -0.000 0.000 0.288 122 V C 1.704 177.910 176.094 0.188 0.000 1.461 122 V CA 0.020 62.372 62.300 0.087 0.000 1.029 122 V CB 0.378 32.265 31.823 0.106 0.000 0.843 122 V HN -0.028 nan 8.190 nan 0.000 0.438 123 Q N 2.749 122.603 119.800 0.089 0.000 2.135 123 Q HA -0.019 4.321 4.340 -0.000 0.000 0.204 123 Q C 2.038 178.165 176.000 0.211 0.000 0.981 123 Q CA 2.592 58.472 55.803 0.128 0.000 0.856 123 Q CB -0.798 27.952 28.738 0.019 0.000 0.902 123 Q HN 0.688 nan 8.270 nan 0.000 0.425 124 G N -0.731 108.136 108.800 0.112 0.000 2.650 124 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.214 124 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.214 124 G C 1.023 175.942 174.900 0.032 0.000 1.136 124 G CA 0.208 45.348 45.100 0.066 0.000 0.789 124 G HN 0.281 nan 8.290 nan 0.000 0.536 125 K N -0.123 120.301 120.400 0.041 0.000 2.361 125 K HA 0.157 4.477 4.320 -0.000 0.000 0.196 125 K C 1.118 177.578 176.600 -0.233 0.000 1.039 125 K CA 0.180 56.435 56.287 -0.054 0.000 1.001 125 K CB 0.148 32.644 32.500 -0.008 0.000 0.795 125 K HN 0.091 nan 8.250 nan 0.000 0.495 126 K N 0.429 120.551 120.400 -0.462 0.000 3.529 126 K HA -0.247 4.073 4.320 -0.000 0.000 0.313 126 K C -0.557 175.331 176.600 -1.187 0.000 1.316 126 K CA 1.546 57.286 56.287 -0.912 0.000 0.988 126 K CB -1.173 31.092 32.500 -0.392 0.000 1.252 126 K HN 0.356 nan 8.250 nan 0.000 0.438 127 K N -0.041 119.831 120.400 -0.880 0.000 2.556 127 K HA 0.692 5.012 4.320 -0.000 0.000 0.274 127 K C -0.837 175.747 176.600 -0.027 0.000 0.966 127 K CA -1.144 54.879 56.287 -0.441 0.000 0.865 127 K CB 2.125 34.496 32.500 -0.214 0.000 1.444 127 K HN 0.100 nan 8.250 nan 0.000 0.433 128 M N 0.043 119.732 119.600 0.148 0.000 2.603 128 M HA 0.418 4.898 4.480 -0.000 0.000 0.275 128 M C -1.810 174.571 176.300 0.135 0.000 1.226 128 M CA -0.599 54.814 55.300 0.188 0.000 0.870 128 M CB 2.588 35.357 32.600 0.282 0.000 1.716 128 M HN 0.634 nan 8.290 nan 0.000 0.482 129 E N 2.270 122.538 120.200 0.113 0.000 2.055 129 E HA 0.288 4.638 4.350 -0.000 0.000 0.274 129 E C 0.300 176.980 176.600 0.133 0.000 0.949 129 E CA -0.196 56.267 56.400 0.105 0.000 0.775 129 E CB 1.699 31.443 29.700 0.075 0.000 1.097 129 E HN 0.762 nan 8.360 nan 0.000 0.404 130 V N 5.603 125.603 119.914 0.142 0.000 2.453 130 V HA -0.288 3.832 4.120 -0.000 0.000 0.252 130 V C 2.061 178.280 176.094 0.209 0.000 1.068 130 V CA 1.634 64.053 62.300 0.198 0.000 1.070 130 V CB -0.406 31.515 31.823 0.164 0.000 0.664 130 V HN 0.662 nan 8.190 nan 0.000 0.461 131 I N -0.563 120.093 120.570 0.143 0.000 2.206 131 I HA -0.137 4.033 4.170 -0.000 0.000 0.239 131 I C 2.540 178.753 176.117 0.160 0.000 1.078 131 I CA 1.491 62.874 61.300 0.139 0.000 1.367 131 I CB -0.457 37.599 38.000 0.093 0.000 1.078 131 I HN 0.191 nan 8.210 nan 0.000 0.413 132 S N 0.412 116.173 115.700 0.100 0.000 2.383 132 S HA -0.151 4.319 4.470 -0.000 0.000 0.227 132 S C 1.414 176.098 174.600 0.140 0.000 1.026 132 S CA 1.319 59.563 58.200 0.073 0.000 0.981 132 S CB -0.235 62.979 63.200 0.023 0.000 0.818 132 S HN 0.419 nan 8.310 nan 0.000 0.472 133 D N -0.935 119.563 120.400 0.164 0.000 2.346 133 D HA 0.204 4.844 4.640 -0.000 0.000 0.206 133 D C 0.949 177.417 176.300 0.279 0.000 1.001 133 D CA 0.473 54.581 54.000 0.180 0.000 0.871 133 D CB 0.211 41.095 40.800 0.141 0.000 0.943 133 D HN 0.364 nan 8.370 nan 0.000 0.518 134 F N 0.562 120.561 119.950 0.082 0.000 1.901 134 F HA 0.379 4.906 4.527 -0.000 0.000 0.239 134 F C 1.852 177.698 175.800 0.078 0.000 1.133 134 F CA 0.520 58.552 58.000 0.054 0.000 1.271 134 F CB -0.518 38.491 39.000 0.014 0.000 1.652 134 F HN -0.159 nan 8.300 nan 0.000 0.543 135 A N 0.381 123.163 122.820 -0.062 0.000 1.877 135 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 135 A C 2.130 179.675 177.584 -0.065 0.000 1.186 135 A CA 1.938 53.859 52.037 -0.194 0.000 0.620 135 A CB -1.557 17.421 19.000 -0.036 0.000 0.822 135 A HN 0.500 nan 8.150 nan 0.000 0.443 136 F N 0.895 120.817 119.950 -0.046 0.000 2.098 136 F HA 0.003 4.530 4.527 -0.000 0.000 0.294 136 F C -0.642 175.151 175.800 -0.011 0.000 1.107 136 F CA 1.753 59.739 58.000 -0.024 0.000 1.234 136 F CB -0.785 38.225 39.000 0.016 0.000 1.002 136 F HN 0.153 nan 8.300 nan 0.000 0.472 137 P HA -0.210 nan 4.420 nan 0.000 0.216 137 P C 1.852 179.338 177.300 0.310 0.000 1.153 137 P CA 1.407 64.697 63.100 0.316 0.000 0.858 137 P CB -0.157 31.782 31.700 0.397 0.000 0.789 138 L N -0.077 121.197 121.223 0.086 0.000 1.970 138 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 138 L C 2.280 179.125 176.870 -0.042 0.000 1.071 138 L CA 2.441 57.277 54.840 -0.007 0.000 0.751 138 L CB -1.630 40.292 42.059 -0.228 0.000 0.889 138 L HN -0.094 nan 8.230 nan 0.000 0.432 139 A N -1.501 121.204 122.820 -0.192 0.000 1.908 139 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 139 A C 2.531 179.862 177.584 -0.422 0.000 1.181 139 A CA 2.184 54.051 52.037 -0.284 0.000 0.627 139 A CB -1.281 17.505 19.000 -0.357 0.000 0.818 139 A HN 0.595 nan 8.150 nan 0.000 0.445 140 S N -1.388 113.954 115.700 -0.597 0.000 2.348 140 S HA -0.140 4.330 4.470 -0.000 0.000 0.221 140 S C 1.750 176.163 174.600 -0.311 0.000 1.033 140 S CA 1.594 59.367 58.200 -0.712 0.000 1.010 140 S CB -0.553 62.279 63.200 -0.613 0.000 0.891 140 S HN 0.451 nan 8.310 nan 0.000 0.442 141 F N 1.395 121.279 119.950 -0.109 0.000 2.095 141 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 141 F C 2.458 178.309 175.800 0.084 0.000 1.104 141 F CA 1.326 59.354 58.000 0.046 0.000 1.232 141 F CB -0.842 38.222 39.000 0.106 0.000 0.987 141 F HN 0.066 nan 8.300 nan 0.000 0.475 142 V N -0.290 119.761 119.914 0.228 0.000 2.261 142 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 142 V C 2.229 178.272 176.094 -0.084 0.000 1.047 142 V CA 1.816 64.179 62.300 0.105 0.000 1.015 142 V CB -0.613 31.237 31.823 0.046 0.000 0.642 142 V HN 0.245 nan 8.190 nan 0.000 0.446 143 I N 0.454 120.968 120.570 -0.093 0.000 2.394 143 I HA -0.096 4.074 4.170 -0.000 0.000 0.251 143 I C 2.321 178.431 176.117 -0.012 0.000 1.136 143 I CA 1.501 62.764 61.300 -0.061 0.000 1.425 143 I CB -0.640 37.338 38.000 -0.037 0.000 1.079 143 I HN 0.180 nan 8.210 nan 0.000 0.425 144 A N -0.055 122.760 122.820 -0.007 0.000 1.930 144 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 144 A C 2.298 179.886 177.584 0.006 0.000 1.175 144 A CA 1.809 53.871 52.037 0.042 0.000 0.627 144 A CB -1.009 17.999 19.000 0.012 0.000 0.815 144 A HN 0.601 nan 8.150 nan 0.000 0.443 145 N N -0.063 118.597 118.700 -0.067 0.000 2.142 145 N HA -0.113 4.627 4.740 -0.000 0.000 0.186 145 N C 1.768 177.163 175.510 -0.192 0.000 1.023 145 N CA 1.493 54.437 53.050 -0.176 0.000 0.852 145 N CB -0.152 38.070 38.487 -0.441 0.000 0.998 145 N HN 0.520 nan 8.380 nan 0.000 0.424 146 I N 0.982 121.412 120.570 -0.232 0.000 2.202 146 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 146 I C 2.183 178.249 176.117 -0.086 0.000 1.091 146 I CA 0.920 62.075 61.300 -0.243 0.000 1.368 146 I CB -0.144 37.640 38.000 -0.361 0.000 1.058 146 I HN 0.124 nan 8.210 nan 0.000 0.410 147 I N 0.233 120.802 120.570 -0.001 0.000 2.252 147 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 147 I C 1.543 177.721 176.117 0.102 0.000 1.102 147 I CA 1.382 62.735 61.300 0.087 0.000 1.385 147 I CB -0.448 37.665 38.000 0.189 0.000 1.064 147 I HN 0.485 nan 8.210 nan 0.000 0.414 148 G N 0.729 109.581 108.800 0.086 0.000 2.186 148 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.130 148 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.130 148 G C -0.148 174.829 174.900 0.127 0.000 1.031 148 G CA -0.448 44.702 45.100 0.083 0.000 0.697 148 G HN 0.081 nan 8.290 nan 0.000 0.494 149 V N 2.648 122.652 119.914 0.151 0.000 2.406 149 V HA 0.433 4.553 4.120 -0.000 0.000 0.272 149 V C -0.958 175.196 176.094 0.101 0.000 1.043 149 V CA -1.393 61.011 62.300 0.172 0.000 0.915 149 V CB 1.232 33.168 31.823 0.189 0.000 0.988 149 V HN 0.305 nan 8.190 nan 0.000 0.466 150 P HA 0.102 nan 4.420 nan 0.000 0.268 150 P C 0.434 177.759 177.300 0.040 0.000 1.208 150 P CA -0.127 63.013 63.100 0.068 0.000 0.777 150 P CB 1.087 32.831 31.700 0.072 0.000 0.875 151 E N 0.801 121.028 120.200 0.044 0.000 2.160 151 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 151 E C 1.631 178.228 176.600 -0.005 0.000 0.991 151 E CA 1.354 57.774 56.400 0.033 0.000 0.810 151 E CB -0.245 29.509 29.700 0.090 0.000 0.742 151 E HN 0.502 nan 8.360 nan 0.000 0.466 152 E N 0.644 120.847 120.200 0.005 0.000 2.204 152 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 152 E C 0.564 177.129 176.600 -0.059 0.000 0.989 152 E CA 0.823 57.215 56.400 -0.012 0.000 0.824 152 E CB -0.025 29.681 29.700 0.009 0.000 0.756 152 E HN 0.330 nan 8.360 nan 0.000 0.477 153 D N 0.154 120.510 120.400 -0.074 0.000 2.402 153 D HA 0.054 4.693 4.640 -0.000 0.000 0.216 153 D C 1.570 177.702 176.300 -0.280 0.000 1.128 153 D CA -0.059 53.826 54.000 -0.191 0.000 0.833 153 D CB 0.275 40.988 40.800 -0.144 0.000 0.971 153 D HN 0.088 nan 8.370 nan 0.000 0.503 154 R N 0.811 121.199 120.500 -0.187 0.000 2.090 154 R HA -0.103 4.237 4.340 -0.000 0.000 0.228 154 R C 1.816 178.003 176.300 -0.188 0.000 1.110 154 R CA 1.014 57.006 56.100 -0.179 0.000 0.973 154 R CB 0.303 30.480 30.300 -0.205 0.000 0.869 154 R HN -0.096 nan 8.270 nan 0.000 0.440 155 E N 0.267 120.350 120.200 -0.196 0.000 2.106 155 E HA -0.232 4.118 4.350 -0.000 0.000 0.192 155 E C 1.825 178.245 176.600 -0.300 0.000 0.984 155 E CA 1.356 57.651 56.400 -0.175 0.000 0.806 155 E CB 0.034 29.650 29.700 -0.140 0.000 0.750 155 E HN 0.235 nan 8.360 nan 0.000 0.458 156 Q N -0.262 119.256 119.800 -0.470 0.000 2.167 156 Q HA -0.078 4.262 4.340 -0.000 0.000 0.202 156 Q C 1.920 177.220 176.000 -1.166 0.000 0.970 156 Q CA 1.081 56.393 55.803 -0.819 0.000 0.855 156 Q CB -0.323 27.852 28.738 -0.938 0.000 0.911 156 Q HN 0.395 nan 8.270 nan 0.000 0.438 157 L N 0.266 121.007 121.223 -0.804 0.000 2.093 157 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 157 L C 1.747 178.389 176.870 -0.380 0.000 1.085 157 L CA 1.739 56.277 54.840 -0.503 0.000 0.755 157 L CB -0.288 41.645 42.059 -0.211 0.000 0.904 157 L HN 0.120 nan 8.230 nan 0.000 0.435 158 K N -0.635 119.612 120.400 -0.255 0.000 2.032 158 K HA -0.262 4.058 4.320 -0.000 0.000 0.209 158 K C 2.065 178.617 176.600 -0.079 0.000 1.048 158 K CA 1.901 58.160 56.287 -0.047 0.000 0.927 158 K CB -0.285 32.342 32.500 0.212 0.000 0.712 158 K HN 0.426 nan 8.250 nan 0.000 0.441 159 E N -0.049 120.039 120.200 -0.186 0.000 2.072 159 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 159 E C 1.700 178.314 176.600 0.023 0.000 0.985 159 E CA 0.902 57.227 56.400 -0.125 0.000 0.801 159 E CB 0.072 29.641 29.700 -0.219 0.000 0.750 159 E HN 0.360 nan 8.360 nan 0.000 0.452 160 W N 0.360 121.619 121.300 -0.068 0.000 2.381 160 W HA 0.007 4.667 4.660 -0.000 0.000 0.301 160 W C 2.388 178.878 176.519 -0.047 0.000 1.205 160 W CA 0.914 58.232 57.345 -0.045 0.000 1.285 160 W CB -1.149 28.292 29.460 -0.031 0.000 1.133 160 W HN 0.193 nan 8.180 nan 0.000 0.521 161 A N 0.497 123.384 122.820 0.111 0.000 1.898 161 A HA 0.025 4.345 4.320 -0.000 0.000 0.216 161 A C 2.242 179.854 177.584 0.047 0.000 1.181 161 A CA 2.591 54.641 52.037 0.022 0.000 0.620 161 A CB -1.078 17.817 19.000 -0.175 0.000 0.819 161 A HN 0.112 nan 8.150 nan 0.000 0.442 162 A N -0.911 121.943 122.820 0.056 0.000 1.969 162 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 162 A C 2.446 180.060 177.584 0.049 0.000 1.169 162 A CA 2.073 54.142 52.037 0.054 0.000 0.635 162 A CB -0.703 18.323 19.000 0.042 0.000 0.810 162 A HN 0.573 nan 8.150 nan 0.000 0.445 163 S N -0.688 115.054 115.700 0.070 0.000 2.377 163 S HA 0.028 4.498 4.470 -0.000 0.000 0.223 163 S C 1.857 176.493 174.600 0.060 0.000 1.030 163 S CA 1.027 59.267 58.200 0.067 0.000 0.970 163 S CB -0.369 62.889 63.200 0.096 0.000 0.830 163 S HN 0.477 nan 8.310 nan 0.000 0.473 164 L N 0.675 121.942 121.223 0.074 0.000 2.240 164 L HA 0.121 4.461 4.340 -0.000 0.000 0.211 164 L C 2.320 179.233 176.870 0.072 0.000 1.106 164 L CA 0.469 55.349 54.840 0.067 0.000 0.793 164 L CB -0.385 41.720 42.059 0.078 0.000 0.927 164 L HN 0.337 nan 8.230 nan 0.000 0.446 165 I N 0.279 120.880 120.570 0.053 0.000 2.361 165 I HA -0.307 3.863 4.170 -0.000 0.000 0.251 165 I C 2.535 178.711 176.117 0.098 0.000 1.133 165 I CA 1.341 62.663 61.300 0.035 0.000 1.413 165 I CB -0.021 37.919 38.000 -0.100 0.000 1.073 165 I HN 0.254 nan 8.210 nan 0.000 0.424 166 Q N 0.093 119.940 119.800 0.077 0.000 2.224 166 Q HA -0.176 4.164 4.340 -0.000 0.000 0.203 166 Q C 2.076 178.126 176.000 0.084 0.000 0.970 166 Q CA 2.146 58.003 55.803 0.091 0.000 0.865 166 Q CB -0.607 28.165 28.738 0.055 0.000 0.922 166 Q HN 0.650 nan 8.270 nan 0.000 0.445 167 T N -1.966 112.625 114.554 0.062 0.000 3.051 167 T HA -0.092 4.257 4.350 -0.000 0.000 0.269 167 T C 1.517 176.245 174.700 0.048 0.000 1.127 167 T CA 1.003 63.114 62.100 0.019 0.000 1.107 167 T CB -0.510 68.351 68.868 -0.011 0.000 0.898 167 T HN 0.554 nan 8.240 nan 0.000 0.517 168 I N -2.063 118.581 120.570 0.123 0.000 4.057 168 I HA 0.461 4.631 4.170 -0.000 0.000 0.334 168 I C 0.225 176.449 176.117 0.179 0.000 1.308 168 I CA -0.657 60.731 61.300 0.146 0.000 1.125 168 I CB -0.076 38.071 38.000 0.245 0.000 1.034 168 I HN -0.060 nan 8.210 nan 0.000 0.401 169 D N 0.431 120.950 120.400 0.198 0.000 2.313 169 D HA 0.192 4.832 4.640 -0.000 0.000 0.247 169 D C 0.794 177.233 176.300 0.232 0.000 1.094 169 D CA -0.376 53.759 54.000 0.225 0.000 0.925 169 D CB 0.856 41.801 40.800 0.242 0.000 1.188 169 D HN 0.019 nan 8.370 nan 0.000 0.430 170 F N 0.427 120.339 119.950 -0.063 0.000 2.250 170 F HA -0.121 4.406 4.527 -0.000 0.000 0.301 170 F C 2.582 178.307 175.800 -0.125 0.000 1.077 170 F CA 1.313 59.248 58.000 -0.109 0.000 1.348 170 F CB -1.026 37.916 39.000 -0.098 0.000 1.040 170 F HN 0.459 nan 8.300 nan 0.000 0.509 171 T N -1.343 113.210 114.554 -0.001 0.000 3.148 171 T HA 0.010 4.360 4.350 -0.000 0.000 0.253 171 T C 0.903 175.583 174.700 -0.032 0.000 1.134 171 T CA -0.514 61.511 62.100 -0.126 0.000 1.051 171 T CB -0.616 68.145 68.868 -0.178 0.000 0.959 171 T HN 0.275 nan 8.240 nan 0.000 0.525 172 R N 1.726 122.237 120.500 0.018 0.000 2.734 172 R HA 0.389 4.729 4.340 -0.000 0.000 0.266 172 R C -0.286 176.014 176.300 -0.000 0.000 1.044 172 R CA -0.160 55.948 56.100 0.013 0.000 1.128 172 R CB 0.212 30.523 30.300 0.018 0.000 1.010 172 R HN 0.305 nan 8.270 nan 0.000 0.461 173 S N 1.161 116.854 115.700 -0.012 0.000 2.709 173 S HA 0.347 4.817 4.470 -0.000 0.000 0.302 173 S C 0.715 175.307 174.600 -0.013 0.000 1.127 173 S CA -1.186 57.009 58.200 -0.007 0.000 0.905 173 S CB 2.056 65.253 63.200 -0.006 0.000 1.151 173 S HN 0.746 nan 8.310 nan 0.000 0.510 174 R N 0.537 121.050 120.500 0.021 0.000 2.091 174 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 174 R C 2.161 178.482 176.300 0.035 0.000 1.136 174 R CA 1.923 58.061 56.100 0.064 0.000 0.959 174 R CB -0.451 29.904 30.300 0.091 0.000 0.856 174 R HN 0.772 nan 8.270 nan 0.000 0.437 175 K N 0.734 121.146 120.400 0.020 0.000 2.057 175 K HA -0.069 4.251 4.320 -0.000 0.000 0.206 175 K C 1.903 178.495 176.600 -0.013 0.000 1.050 175 K CA 1.607 57.903 56.287 0.015 0.000 0.935 175 K CB -0.214 32.295 32.500 0.016 0.000 0.715 175 K HN 0.136 nan 8.250 nan 0.000 0.439 176 A N 0.833 123.633 122.820 -0.033 0.000 1.933 176 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 176 A C 2.172 179.688 177.584 -0.113 0.000 1.175 176 A CA 1.510 53.519 52.037 -0.047 0.000 0.628 176 A CB -0.607 18.374 19.000 -0.032 0.000 0.814 176 A HN 0.347 nan 8.150 nan 0.000 0.444 177 L N -1.114 119.971 121.223 -0.229 0.000 2.131 177 L HA -0.097 4.243 4.340 -0.000 0.000 0.206 177 L C 2.723 179.304 176.870 -0.481 0.000 1.087 177 L CA 1.514 56.034 54.840 -0.535 0.000 0.767 177 L CB -0.768 40.660 42.059 -1.051 0.000 0.917 177 L HN 0.324 nan 8.230 nan 0.000 0.441 178 T N -0.838 113.613 114.554 -0.172 0.000 2.708 178 T HA -0.240 4.110 4.350 -0.000 0.000 0.266 178 T C 1.765 176.489 174.700 0.039 0.000 1.037 178 T CA 1.497 63.645 62.100 0.079 0.000 1.146 178 T CB -0.107 68.847 68.868 0.142 0.000 0.865 178 T HN 0.359 nan 8.240 nan 0.000 0.435 179 E N 0.565 120.770 120.200 0.008 0.000 2.110 179 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 179 E C 2.460 179.071 176.600 0.018 0.000 0.988 179 E CA 1.099 57.513 56.400 0.023 0.000 0.804 179 E CB -0.443 29.271 29.700 0.022 0.000 0.745 179 E HN 0.517 nan 8.360 nan 0.000 0.458 180 G N 0.846 109.632 108.800 -0.024 0.000 2.440 180 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.218 180 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.218 180 G C 1.493 176.388 174.900 -0.007 0.000 1.154 180 G CA 1.026 46.111 45.100 -0.025 0.000 0.767 180 G HN 0.302 nan 8.290 nan 0.000 0.552 181 N N 0.158 118.864 118.700 0.009 0.000 2.166 181 N HA -0.023 4.717 4.740 -0.000 0.000 0.186 181 N C 2.179 177.715 175.510 0.043 0.000 1.019 181 N CA 0.935 54.023 53.050 0.064 0.000 0.856 181 N CB -0.180 38.404 38.487 0.163 0.000 0.993 181 N HN 0.404 nan 8.380 nan 0.000 0.426 182 I N -0.132 120.465 120.570 0.044 0.000 2.252 182 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 182 I C 1.806 177.930 176.117 0.012 0.000 1.102 182 I CA 0.755 62.080 61.300 0.041 0.000 1.385 182 I CB -0.181 37.854 38.000 0.060 0.000 1.064 182 I HN 0.237 nan 8.210 nan 0.000 0.414 183 M N 0.351 119.959 119.600 0.012 0.000 2.229 183 M HA -0.102 4.378 4.480 -0.000 0.000 0.264 183 M C 2.568 178.706 176.300 -0.269 0.000 1.063 183 M CA 1.607 56.869 55.300 -0.062 0.000 1.114 183 M CB -1.494 31.155 32.600 0.082 0.000 1.387 183 M HN 0.284 nan 8.290 nan 0.000 0.420 184 A N 0.113 122.857 122.820 -0.127 0.000 1.902 184 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 184 A C 2.489 179.998 177.584 -0.126 0.000 1.181 184 A CA 1.732 53.702 52.037 -0.112 0.000 0.623 184 A CB -0.960 18.032 19.000 -0.014 0.000 0.818 184 A HN 0.282 nan 8.150 nan 0.000 0.443 185 V N -0.039 119.826 119.914 -0.081 0.000 2.295 185 V HA -0.335 3.785 4.120 -0.000 0.000 0.246 185 V C 2.679 178.706 176.094 -0.112 0.000 1.049 185 V CA 2.357 64.624 62.300 -0.056 0.000 1.024 185 V CB -0.939 30.878 31.823 -0.010 0.000 0.648 185 V HN 0.647 nan 8.190 nan 0.000 0.447 186 Q N -0.353 119.336 119.800 -0.186 0.000 2.046 186 Q HA -0.144 4.196 4.340 -0.000 0.000 0.200 186 Q C 2.445 178.080 176.000 -0.609 0.000 0.975 186 Q CA 1.738 57.415 55.803 -0.211 0.000 0.836 186 Q CB -0.419 28.326 28.738 0.012 0.000 0.896 186 Q HN 0.667 nan 8.270 nan 0.000 0.428 187 A N 0.751 122.851 122.820 -1.201 0.000 1.902 187 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 187 A C 2.051 179.502 177.584 -0.221 0.000 1.181 187 A CA 1.667 52.946 52.037 -1.263 0.000 0.623 187 A CB -0.489 17.967 19.000 -0.907 0.000 0.818 187 A HN 0.359 nan 8.150 nan 0.000 0.443 188 M N 0.210 119.739 119.600 -0.118 0.000 2.117 188 M HA 0.009 4.489 4.480 -0.000 0.000 0.262 188 M C 2.102 178.448 176.300 0.076 0.000 1.065 188 M CA 1.723 57.054 55.300 0.053 0.000 1.114 188 M CB -0.576 32.047 32.600 0.039 0.000 1.361 188 M HN 0.360 nan 8.290 nan 0.000 0.408 189 A N -1.145 121.688 122.820 0.022 0.000 1.930 189 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 189 A C 2.153 179.781 177.584 0.074 0.000 1.175 189 A CA 1.693 53.758 52.037 0.048 0.000 0.627 189 A CB -1.342 17.684 19.000 0.043 0.000 0.815 189 A HN 0.711 nan 8.150 nan 0.000 0.443 190 Y N -0.896 119.381 120.300 -0.039 0.000 2.200 190 Y HA -0.166 4.384 4.550 -0.000 0.000 0.290 190 Y C 1.845 177.698 175.900 -0.080 0.000 1.137 190 Y CA 1.884 59.960 58.100 -0.039 0.000 1.163 190 Y CB -0.341 38.141 38.460 0.038 0.000 0.988 190 Y HN 0.249 nan 8.280 nan 0.000 0.518 191 F N 0.607 120.607 119.950 0.083 0.000 2.325 191 F HA -0.039 4.488 4.527 -0.000 0.000 0.299 191 F C 2.217 177.986 175.800 -0.052 0.000 1.090 191 F CA 1.278 59.284 58.000 0.010 0.000 1.392 191 F CB -0.362 38.704 39.000 0.110 0.000 1.053 191 F HN -0.059 nan 8.300 nan 0.000 0.521 192 K N 0.138 120.615 120.400 0.129 0.000 2.097 192 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 192 K C 1.938 178.536 176.600 -0.003 0.000 1.049 192 K CA 1.492 57.816 56.287 0.062 0.000 0.933 192 K CB -0.205 32.329 32.500 0.056 0.000 0.717 192 K HN 0.319 nan 8.250 nan 0.000 0.442 193 E N 0.559 120.719 120.200 -0.067 0.000 2.072 193 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 193 E C 1.937 178.448 176.600 -0.148 0.000 0.985 193 E CA 0.723 57.058 56.400 -0.108 0.000 0.801 193 E CB 0.010 29.626 29.700 -0.141 0.000 0.750 193 E HN 0.072 nan 8.360 nan 0.000 0.452 194 L N 0.946 122.016 121.223 -0.255 0.000 2.093 194 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 194 L C 2.005 178.853 176.870 -0.037 0.000 1.085 194 L CA 1.284 56.004 54.840 -0.201 0.000 0.755 194 L CB -0.169 41.709 42.059 -0.303 0.000 0.904 194 L HN 0.110 nan 8.230 nan 0.000 0.435 195 I N -1.080 119.497 120.570 0.011 0.000 2.315 195 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 195 I C 2.275 178.404 176.117 0.019 0.000 1.117 195 I CA 0.644 61.968 61.300 0.039 0.000 1.404 195 I CB -0.228 37.807 38.000 0.058 0.000 1.071 195 I HN 0.316 nan 8.210 nan 0.000 0.419 196 Q N 0.825 120.628 119.800 0.005 0.000 2.119 196 Q HA -0.180 4.160 4.340 -0.000 0.000 0.201 196 Q C 2.106 178.115 176.000 0.014 0.000 0.972 196 Q CA 1.400 57.206 55.803 0.006 0.000 0.847 196 Q CB -0.300 28.438 28.738 0.001 0.000 0.903 196 Q HN 0.513 nan 8.270 nan 0.000 0.433 197 K N 0.095 120.501 120.400 0.010 0.000 2.057 197 K HA -0.018 4.302 4.320 -0.000 0.000 0.206 197 K C 1.999 178.637 176.600 0.063 0.000 1.050 197 K CA 0.649 56.958 56.287 0.037 0.000 0.935 197 K CB 0.075 32.581 32.500 0.011 0.000 0.715 197 K HN 0.004 nan 8.250 nan 0.000 0.439 198 R N 1.130 121.656 120.500 0.043 0.000 2.193 198 R HA -0.019 4.321 4.340 -0.000 0.000 0.213 198 R C 1.915 178.235 176.300 0.032 0.000 1.055 198 R CA 0.850 56.980 56.100 0.050 0.000 0.995 198 R CB -0.131 30.197 30.300 0.046 0.000 0.893 198 R HN 0.195 nan 8.270 nan 0.000 0.459 199 K N 0.744 121.155 120.400 0.019 0.000 2.025 199 K HA -0.095 4.224 4.320 -0.000 0.000 0.207 199 K C 2.207 178.788 176.600 -0.032 0.000 1.049 199 K CA 1.144 57.430 56.287 -0.002 0.000 0.933 199 K CB 0.063 32.563 32.500 -0.000 0.000 0.714 199 K HN -0.037 nan 8.250 nan 0.000 0.438 200 R N -0.670 119.809 120.500 -0.035 0.000 2.073 200 R HA -0.049 4.291 4.340 -0.000 0.000 0.229 200 R C 0.108 176.223 176.300 -0.307 0.000 1.120 200 R CA 1.048 57.068 56.100 -0.133 0.000 0.967 200 R CB 0.249 30.520 30.300 -0.048 0.000 0.862 200 R HN 0.242 nan 8.270 nan 0.000 0.436 201 H N 0.908 119.979 119.070 0.002 0.000 2.854 201 H HA 0.286 4.842 4.556 -0.000 0.000 0.275 201 H C -2.412 172.919 175.328 0.004 0.000 1.198 201 H CA -2.149 53.901 56.048 0.003 0.000 1.489 201 H CB 1.657 31.421 29.762 0.003 0.000 1.519 201 H HN 0.238 nan 8.280 nan 0.000 0.503 202 P HA 0.012 nan 4.420 nan 0.000 0.268 202 P C 0.045 177.381 177.300 0.060 0.000 1.205 202 P CA -0.050 63.081 63.100 0.052 0.000 0.771 202 P CB 1.573 33.288 31.700 0.025 0.000 0.858 203 Q N 1.578 121.406 119.800 0.046 0.000 2.486 203 Q HA 0.286 4.626 4.340 -0.000 0.000 0.274 203 Q C 0.002 176.016 176.000 0.024 0.000 1.076 203 Q CA -0.870 54.954 55.803 0.036 0.000 0.872 203 Q CB 0.996 29.755 28.738 0.035 0.000 1.383 203 Q HN 0.424 nan 8.270 nan 0.000 0.478 204 Q N 1.743 121.553 119.800 0.016 0.000 3.181 204 Q HA 0.100 4.440 4.340 -0.000 0.000 0.293 204 Q C -1.111 174.891 176.000 0.004 0.000 1.406 204 Q CA 0.027 55.835 55.803 0.008 0.000 1.026 204 Q CB -0.047 28.694 28.738 0.005 0.000 1.630 204 Q HN 0.378 nan 8.270 nan 0.000 0.553 205 D N -2.040 118.365 120.400 0.008 0.000 2.744 205 D HA 0.093 4.733 4.640 -0.000 0.000 0.304 205 D C 0.382 176.686 176.300 0.007 0.000 1.179 205 D CA -0.817 53.187 54.000 0.005 0.000 1.024 205 D CB 0.383 41.194 40.800 0.018 0.000 1.453 205 D HN 0.033 nan 8.370 nan 0.000 0.529 206 M N -0.179 119.424 119.600 0.005 0.000 2.254 206 M HA 0.070 4.550 4.480 -0.000 0.000 0.265 206 M C 1.496 177.812 176.300 0.027 0.000 1.066 206 M CA 1.107 56.408 55.300 0.002 0.000 1.123 206 M CB -0.199 32.397 32.600 -0.006 0.000 1.388 206 M HN 0.468 nan 8.290 nan 0.000 0.425 207 I N -0.278 120.322 120.570 0.051 0.000 2.163 207 I HA -0.329 3.841 4.170 -0.000 0.000 0.243 207 I C 2.280 178.422 176.117 0.041 0.000 1.085 207 I CA 1.480 62.817 61.300 0.061 0.000 1.347 207 I CB -0.453 37.609 38.000 0.102 0.000 1.044 207 I HN 0.262 nan 8.210 nan 0.000 0.408 208 S N 0.466 116.187 115.700 0.036 0.000 2.368 208 S HA -0.232 4.237 4.470 -0.000 0.000 0.225 208 S C 1.995 176.604 174.600 0.015 0.000 1.030 208 S CA 1.542 59.758 58.200 0.025 0.000 0.999 208 S CB -0.395 62.819 63.200 0.024 0.000 0.844 208 S HN 0.436 nan 8.310 nan 0.000 0.459 209 M N 1.216 120.822 119.600 0.010 0.000 2.108 209 M HA -0.112 4.368 4.480 -0.000 0.000 0.261 209 M C 1.756 178.060 176.300 0.005 0.000 1.066 209 M CA 1.571 56.872 55.300 0.003 0.000 1.107 209 M CB -0.342 32.255 32.600 -0.006 0.000 1.356 209 M HN 0.281 nan 8.290 nan 0.000 0.406 210 L N 0.057 121.287 121.223 0.011 0.000 2.141 210 L HA -0.202 4.138 4.340 -0.000 0.000 0.209 210 L C 2.318 179.193 176.870 0.008 0.000 1.094 210 L CA 0.857 55.703 54.840 0.011 0.000 0.763 210 L CB -0.582 41.485 42.059 0.014 0.000 0.908 210 L HN 0.395 nan 8.230 nan 0.000 0.437 211 L N -0.544 120.686 121.223 0.011 0.000 2.109 211 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 211 L C 2.626 179.498 176.870 0.004 0.000 1.086 211 L CA 1.093 55.939 54.840 0.010 0.000 0.760 211 L CB -0.406 41.661 42.059 0.013 0.000 0.910 211 L HN 0.187 nan 8.230 nan 0.000 0.437 212 K N 0.238 120.640 120.400 0.002 0.000 2.097 212 K HA -0.018 4.302 4.320 -0.000 0.000 0.206 212 K C 0.666 177.264 176.600 -0.003 0.000 1.049 212 K CA 0.735 57.022 56.287 -0.002 0.000 0.933 212 K CB -0.149 32.349 32.500 -0.003 0.000 0.717 212 K HN 0.379 nan 8.250 nan 0.000 0.442 213 G N 0.963 109.762 108.800 -0.003 0.000 3.019 213 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.686 213 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.686 213 G C -0.902 173.993 174.900 -0.008 0.000 1.056 213 G CA -0.359 44.737 45.100 -0.005 0.000 0.774 213 G HN 0.305 nan 8.290 nan 0.000 0.583 218 K N 0.516 120.909 120.400 -0.011 0.000 2.464 218 K HA 0.667 4.987 4.320 -0.000 0.000 0.253 218 K C -1.059 175.538 176.600 -0.005 0.000 0.933 218 K CA -0.603 55.681 56.287 -0.006 0.000 0.801 218 K CB 2.829 35.327 32.500 -0.003 0.000 1.271 218 K HN -0.089 nan 8.250 nan 0.000 0.430 219 L N 1.841 123.063 121.223 -0.002 0.000 2.334 219 L HA 0.453 4.793 4.340 -0.000 0.000 0.276 219 L C 0.554 177.428 176.870 0.006 0.000 1.014 219 L CA -0.876 53.964 54.840 -0.000 0.000 0.815 219 L CB 2.001 44.059 42.059 -0.002 0.000 1.268 219 L HN 0.784 nan 8.230 nan 0.000 0.428 220 T N -2.318 112.242 114.554 0.010 0.000 2.860 220 T HA 0.096 4.446 4.350 -0.000 0.000 0.299 220 T C 0.832 175.544 174.700 0.020 0.000 1.045 220 T CA -0.463 61.648 62.100 0.018 0.000 1.071 220 T CB 1.012 69.896 68.868 0.026 0.000 0.985 220 T HN 0.670 nan 8.240 nan 0.000 0.537 221 E N 0.285 120.501 120.200 0.027 0.000 2.204 221 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 221 E C 2.092 178.715 176.600 0.039 0.000 0.990 221 E CA 1.058 57.477 56.400 0.032 0.000 0.821 221 E CB 0.054 29.775 29.700 0.034 0.000 0.750 221 E HN 0.763 nan 8.360 nan 0.000 0.477 222 E N 0.476 120.704 120.200 0.047 0.000 2.158 222 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 222 E C 1.801 178.405 176.600 0.008 0.000 0.982 222 E CA 0.562 56.994 56.400 0.054 0.000 0.823 222 E CB 0.094 29.861 29.700 0.110 0.000 0.766 222 E HN 0.288 nan 8.360 nan 0.000 0.468 223 E N 0.671 120.871 120.200 -0.001 0.000 2.106 223 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 223 E C 2.033 178.617 176.600 -0.027 0.000 0.984 223 E CA 0.850 57.238 56.400 -0.019 0.000 0.806 223 E CB -0.037 29.657 29.700 -0.010 0.000 0.750 223 E HN 0.178 nan 8.360 nan 0.000 0.458 224 A N 1.338 124.149 122.820 -0.015 0.000 1.898 224 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 224 A C 2.354 179.898 177.584 -0.067 0.000 1.181 224 A CA 1.591 53.614 52.037 -0.024 0.000 0.620 224 A CB -0.546 18.455 19.000 0.002 0.000 0.819 224 A HN 0.295 nan 8.150 nan 0.000 0.442 225 A N -0.649 122.143 122.820 -0.046 0.000 1.873 225 A HA -0.053 4.267 4.320 -0.000 0.000 0.215 225 A C 2.442 179.907 177.584 -0.198 0.000 1.186 225 A CA 2.005 53.987 52.037 -0.091 0.000 0.616 225 A CB -0.886 18.148 19.000 0.057 0.000 0.823 225 A HN 0.432 nan 8.150 nan 0.000 0.442 226 S N -0.347 115.291 115.700 -0.104 0.000 2.382 226 S HA -0.128 4.342 4.470 -0.000 0.000 0.228 226 S C 2.038 176.570 174.600 -0.114 0.000 1.027 226 S CA 1.762 59.905 58.200 -0.095 0.000 0.991 226 S CB -0.523 62.639 63.200 -0.064 0.000 0.823 226 S HN 0.720 nan 8.310 nan 0.000 0.469 227 T N 1.370 115.859 114.554 -0.108 0.000 2.708 227 T HA -0.139 4.211 4.350 -0.000 0.000 0.266 227 T C 2.051 176.669 174.700 -0.136 0.000 1.037 227 T CA 1.460 63.507 62.100 -0.088 0.000 1.146 227 T CB -0.667 68.170 68.868 -0.051 0.000 0.865 227 T HN 0.464 nan 8.240 nan 0.000 0.435 228 C N 0.883 120.020 119.300 -0.272 0.000 2.429 228 C HA 0.012 4.472 4.460 -0.000 0.000 0.277 228 C C 2.677 177.407 174.990 -0.433 0.000 1.262 228 C CA 0.160 58.915 59.018 -0.438 0.000 1.733 228 C CB -1.325 25.849 27.740 -0.943 0.000 2.010 228 C HN 0.536 nan 8.230 nan 0.000 0.483 229 I N 0.440 120.737 120.570 -0.455 0.000 2.179 229 I HA -0.208 3.962 4.170 -0.000 0.000 0.242 229 I C 2.492 178.590 176.117 -0.032 0.000 1.088 229 I CA 1.228 62.436 61.300 -0.154 0.000 1.357 229 I CB -0.536 37.419 38.000 -0.075 0.000 1.051 229 I HN 0.278 nan 8.210 nan 0.000 0.409 230 L N 0.810 122.003 121.223 -0.050 0.000 2.012 230 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 230 L C 2.272 179.141 176.870 -0.002 0.000 1.073 230 L CA 1.938 56.767 54.840 -0.018 0.000 0.748 230 L CB -0.514 41.520 42.059 -0.043 0.000 0.891 230 L HN 0.136 nan 8.230 nan 0.000 0.431 231 L N -0.727 120.494 121.223 -0.004 0.000 2.093 231 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 231 L C 2.677 179.605 176.870 0.096 0.000 1.085 231 L CA 0.958 55.819 54.840 0.036 0.000 0.755 231 L CB -0.938 41.178 42.059 0.095 0.000 0.904 231 L HN 0.380 nan 8.230 nan 0.000 0.435 232 A N 0.573 123.464 122.820 0.118 0.000 1.902 232 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 232 A C 2.219 179.937 177.584 0.222 0.000 1.181 232 A CA 1.601 53.770 52.037 0.220 0.000 0.623 232 A CB -0.638 18.512 19.000 0.250 0.000 0.818 232 A HN 0.342 nan 8.150 nan 0.000 0.443 233 I N -0.300 120.338 120.570 0.113 0.000 2.179 233 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 233 I C 2.979 179.141 176.117 0.075 0.000 1.088 233 I CA 1.108 62.453 61.300 0.075 0.000 1.357 233 I CB -0.383 37.649 38.000 0.054 0.000 1.051 233 I HN 0.345 nan 8.210 nan 0.000 0.409 234 A N 0.918 123.774 122.820 0.060 0.000 1.902 234 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 234 A C 2.431 180.044 177.584 0.047 0.000 1.181 234 A CA 1.884 53.947 52.037 0.043 0.000 0.623 234 A CB -1.435 17.576 19.000 0.019 0.000 0.818 234 A HN 0.471 nan 8.150 nan 0.000 0.443 235 G N -1.645 107.194 108.800 0.065 0.000 2.422 235 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.218 235 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.218 235 G C 1.376 176.220 174.900 -0.095 0.000 1.140 235 G CA 1.308 46.414 45.100 0.010 0.000 0.775 235 G HN 0.671 nan 8.290 nan 0.000 0.545 236 H N 0.026 119.028 119.070 -0.113 0.000 2.287 236 H HA 0.127 4.683 4.556 -0.000 0.000 0.309 236 H C 2.667 177.913 175.328 -0.136 0.000 1.059 236 H CA 1.284 57.198 56.048 -0.223 0.000 1.357 236 H CB 0.133 29.799 29.762 -0.161 0.000 1.409 236 H HN 0.129 nan 8.280 nan 0.000 0.515 237 E N 0.045 120.290 120.200 0.074 0.000 2.001 237 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 237 E C 2.422 179.012 176.600 -0.017 0.000 0.994 237 E CA 1.907 58.312 56.400 0.007 0.000 0.815 237 E CB -0.909 28.709 29.700 -0.135 0.000 0.770 237 E HN 0.610 nan 8.360 nan 0.000 0.453 238 T N -0.592 113.949 114.554 -0.022 0.000 2.821 238 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 238 T C 2.080 176.807 174.700 0.045 0.000 1.046 238 T CA 1.790 63.911 62.100 0.035 0.000 1.139 238 T CB -0.722 68.204 68.868 0.096 0.000 0.871 238 T HN 0.000 nan 8.240 nan 0.000 0.454 239 T N 1.963 116.533 114.554 0.027 0.000 2.777 239 T HA -0.023 4.327 4.350 -0.000 0.000 0.266 239 T C 2.173 176.865 174.700 -0.013 0.000 1.040 239 T CA 1.063 63.172 62.100 0.015 0.000 1.141 239 T CB -0.625 68.235 68.868 -0.013 0.000 0.868 239 T HN 0.234 nan 8.240 nan 0.000 0.444 240 V N 2.774 122.672 119.914 -0.026 0.000 2.287 240 V HA -0.217 3.903 4.120 -0.000 0.000 0.248 240 V C 2.429 178.546 176.094 0.037 0.000 1.053 240 V CA 1.613 63.915 62.300 0.004 0.000 1.027 240 V CB -0.662 31.212 31.823 0.084 0.000 0.646 240 V HN 0.462 nan 8.190 nan 0.000 0.447 241 N N 0.105 118.837 118.700 0.053 0.000 2.120 241 N HA -0.151 4.589 4.740 -0.000 0.000 0.188 241 N C 1.678 177.217 175.510 0.048 0.000 1.024 241 N CA 1.388 54.479 53.050 0.068 0.000 0.852 241 N CB -0.606 37.937 38.487 0.093 0.000 1.003 241 N HN 0.404 nan 8.380 nan 0.000 0.424 242 L N 1.403 122.647 121.223 0.034 0.000 1.989 242 L HA -0.053 4.286 4.340 -0.000 0.000 0.211 242 L C 1.976 178.858 176.870 0.019 0.000 1.071 242 L CA 1.367 56.220 54.840 0.022 0.000 0.749 242 L CB -0.761 41.316 42.059 0.030 0.000 0.890 242 L HN 0.081 nan 8.230 nan 0.000 0.431 243 I N -0.512 120.062 120.570 0.007 0.000 2.127 243 I HA -0.334 3.836 4.170 -0.000 0.000 0.241 243 I C 2.606 178.732 176.117 0.016 0.000 1.075 243 I CA 1.716 63.014 61.300 -0.004 0.000 1.334 243 I CB -0.627 37.330 38.000 -0.071 0.000 1.040 243 I HN 0.491 nan 8.210 nan 0.000 0.405 244 S N 0.684 116.394 115.700 0.018 0.000 2.387 244 S HA -0.123 4.347 4.470 -0.000 0.000 0.226 244 S C 1.845 176.434 174.600 -0.020 0.000 1.026 244 S CA 1.061 59.270 58.200 0.014 0.000 0.972 244 S CB -0.584 62.631 63.200 0.025 0.000 0.814 244 S HN 0.359 nan 8.310 nan 0.000 0.477 245 N N 2.192 120.892 118.700 0.001 0.000 2.104 245 N HA -0.002 4.738 4.740 -0.000 0.000 0.190 245 N C 1.913 177.402 175.510 -0.035 0.000 1.024 245 N CA 1.557 54.605 53.050 -0.004 0.000 0.853 245 N CB -0.808 37.703 38.487 0.041 0.000 1.008 245 N HN 0.492 nan 8.380 nan 0.000 0.424 246 S N 0.036 115.730 115.700 -0.010 0.000 2.368 246 S HA -0.033 4.437 4.470 -0.000 0.000 0.224 246 S C 2.222 176.805 174.600 -0.029 0.000 1.029 246 S CA 0.644 58.842 58.200 -0.003 0.000 0.988 246 S CB -0.217 63.004 63.200 0.035 0.000 0.838 246 S HN 0.083 nan 8.310 nan 0.000 0.462 247 V N 1.991 121.892 119.914 -0.022 0.000 2.295 247 V HA -0.142 3.978 4.120 -0.000 0.000 0.246 247 V C 2.275 178.307 176.094 -0.104 0.000 1.049 247 V CA 1.636 63.919 62.300 -0.029 0.000 1.024 247 V CB -0.684 31.145 31.823 0.010 0.000 0.648 247 V HN 0.381 nan 8.190 nan 0.000 0.447 248 L N -0.311 120.807 121.223 -0.176 0.000 2.042 248 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 248 L C 2.401 179.105 176.870 -0.276 0.000 1.076 248 L CA 2.140 56.785 54.840 -0.324 0.000 0.749 248 L CB -0.929 40.853 42.059 -0.461 0.000 0.893 248 L HN 0.376 nan 8.230 nan 0.000 0.432 249 C N -0.731 118.428 119.300 -0.235 0.000 2.413 249 C HA -0.163 4.297 4.460 -0.000 0.000 0.276 249 C C 2.766 177.558 174.990 -0.329 0.000 1.236 249 C CA 1.170 59.982 59.018 -0.344 0.000 1.735 249 C CB -1.025 26.437 27.740 -0.464 0.000 2.031 249 C HN 0.626 nan 8.230 nan 0.000 0.474 250 L N -0.143 120.972 121.223 -0.180 0.000 2.056 250 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 250 L C 2.401 179.270 176.870 -0.000 0.000 1.078 250 L CA 1.300 56.126 54.840 -0.025 0.000 0.749 250 L CB -0.480 41.601 42.059 0.036 0.000 0.901 250 L HN 0.361 nan 8.230 nan 0.000 0.433 251 L N -0.941 120.251 121.223 -0.051 0.000 2.201 251 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 251 L C 2.476 179.312 176.870 -0.056 0.000 1.105 251 L CA 0.970 55.787 54.840 -0.040 0.000 0.775 251 L CB -0.326 41.700 42.059 -0.055 0.000 0.913 251 L HN 0.333 nan 8.230 nan 0.000 0.440 252 Q N -0.957 118.773 119.800 -0.118 0.000 2.435 252 Q HA -0.055 4.285 4.340 -0.000 0.000 0.207 252 Q C -0.139 175.634 176.000 -0.379 0.000 0.956 252 Q CA 0.644 56.322 55.803 -0.209 0.000 0.917 252 Q CB 0.252 28.834 28.738 -0.260 0.000 0.997 252 Q HN 0.575 nan 8.270 nan 0.000 0.497 253 H N -0.362 118.657 119.070 -0.086 0.000 2.423 253 H HA 0.128 4.684 4.556 -0.000 0.000 0.237 253 H C -1.788 173.553 175.328 0.021 0.000 1.391 253 H CA -1.895 54.145 56.048 -0.013 0.000 1.453 253 H CB 0.859 30.647 29.762 0.044 0.000 1.484 253 H HN 0.037 nan 8.280 nan 0.000 0.505 254 P HA -0.174 nan 4.420 nan 0.000 0.220 254 P C 1.048 178.389 177.300 0.070 0.000 1.148 254 P CA 1.112 64.248 63.100 0.060 0.000 0.803 254 P CB 0.733 32.453 31.700 0.034 0.000 0.782 255 E N -0.165 120.084 120.200 0.081 0.000 2.106 255 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 255 E C 2.241 178.880 176.600 0.065 0.000 0.984 255 E CA 0.924 57.363 56.400 0.064 0.000 0.806 255 E CB -0.135 29.601 29.700 0.060 0.000 0.750 255 E HN 0.396 nan 8.360 nan 0.000 0.458 256 Q N 0.152 120.013 119.800 0.102 0.000 2.212 256 Q HA -0.016 4.324 4.340 -0.000 0.000 0.199 256 Q C 2.242 178.292 176.000 0.084 0.000 0.950 256 Q CA 0.260 56.111 55.803 0.080 0.000 0.863 256 Q CB 0.120 28.913 28.738 0.091 0.000 0.944 256 Q HN 0.239 nan 8.270 nan 0.000 0.465 257 L N 0.600 121.885 121.223 0.104 0.000 2.042 257 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 257 L C 2.125 179.023 176.870 0.047 0.000 1.076 257 L CA 1.018 55.902 54.840 0.074 0.000 0.749 257 L CB -0.171 41.926 42.059 0.064 0.000 0.893 257 L HN 0.258 nan 8.230 nan 0.000 0.432 258 L N -0.191 121.057 121.223 0.042 0.000 2.056 258 L HA -0.219 4.121 4.340 -0.000 0.000 0.207 258 L C 2.449 179.332 176.870 0.022 0.000 1.078 258 L CA 1.763 56.620 54.840 0.029 0.000 0.749 258 L CB -0.626 41.449 42.059 0.027 0.000 0.901 258 L HN 0.162 nan 8.230 nan 0.000 0.433 259 K N -0.934 119.478 120.400 0.020 0.000 2.074 259 K HA -0.234 4.086 4.320 -0.000 0.000 0.209 259 K C 2.011 178.616 176.600 0.008 0.000 1.048 259 K CA 1.996 58.288 56.287 0.009 0.000 0.926 259 K CB -0.411 32.088 32.500 -0.002 0.000 0.713 259 K HN 0.296 nan 8.250 nan 0.000 0.444 260 L N 0.797 122.030 121.223 0.016 0.000 2.162 260 L HA -0.021 4.319 4.340 -0.000 0.000 0.205 260 L C 2.227 179.107 176.870 0.017 0.000 1.086 260 L CA 1.299 56.148 54.840 0.016 0.000 0.778 260 L CB -0.303 41.773 42.059 0.027 0.000 0.928 260 L HN -0.010 nan 8.230 nan 0.000 0.446 261 R N -0.232 120.279 120.500 0.018 0.000 2.083 261 R HA -0.177 4.163 4.340 -0.000 0.000 0.237 261 R C 2.108 178.415 176.300 0.011 0.000 1.137 261 R CA 2.014 58.123 56.100 0.014 0.000 0.951 261 R CB -0.143 30.166 30.300 0.014 0.000 0.851 261 R HN 0.506 nan 8.270 nan 0.000 0.434 262 E N -0.511 119.696 120.200 0.011 0.000 2.208 262 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 262 E C 0.305 176.910 176.600 0.007 0.000 0.988 262 E CA 0.496 56.901 56.400 0.008 0.000 0.828 262 E CB 0.071 29.776 29.700 0.008 0.000 0.763 262 E HN 0.273 nan 8.360 nan 0.000 0.478 263 N N 0.101 118.805 118.700 0.007 0.000 2.716 263 N HA 0.103 4.843 4.740 -0.000 0.000 0.253 263 N C -2.487 173.028 175.510 0.008 0.000 1.170 263 N CA -1.617 51.437 53.050 0.006 0.000 0.807 263 N CB 1.211 39.700 38.487 0.002 0.000 1.183 263 N HN -0.203 nan 8.380 nan 0.000 0.524 264 P HA -0.018 nan 4.420 nan 0.000 0.225 264 P C 0.427 177.736 177.300 0.015 0.000 1.148 264 P CA 0.771 63.880 63.100 0.015 0.000 0.779 264 P CB 0.355 32.065 31.700 0.016 0.000 0.780 265 D N -0.934 119.473 120.400 0.012 0.000 2.348 265 D HA -0.006 4.634 4.640 -0.000 0.000 0.216 265 D C 1.543 177.849 176.300 0.009 0.000 0.970 265 D CA 0.635 54.642 54.000 0.012 0.000 0.889 265 D CB -0.209 40.596 40.800 0.009 0.000 0.912 265 D HN 0.250 nan 8.370 nan 0.000 0.524 266 L N 0.367 121.594 121.223 0.006 0.000 2.599 266 L HA -0.003 4.337 4.340 -0.000 0.000 0.230 266 L C 1.998 178.871 176.870 0.005 0.000 1.141 266 L CA -0.237 54.602 54.840 -0.001 0.000 0.877 266 L CB 0.046 42.098 42.059 -0.011 0.000 1.009 266 L HN -0.045 nan 8.230 nan 0.000 0.447 267 I N 0.390 120.970 120.570 0.017 0.000 2.286 267 I HA -0.155 4.015 4.170 -0.000 0.000 0.248 267 I C 2.259 178.397 176.117 0.035 0.000 1.115 267 I CA 1.442 62.758 61.300 0.028 0.000 1.392 267 I CB -0.516 37.505 38.000 0.034 0.000 1.065 267 I HN 0.138 nan 8.210 nan 0.000 0.418 268 G N -1.346 107.474 108.800 0.034 0.000 2.480 268 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.216 268 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.216 268 G C 1.691 176.619 174.900 0.046 0.000 1.200 268 G CA 1.298 46.426 45.100 0.046 0.000 0.782 268 G HN 0.401 nan 8.290 nan 0.000 0.554 269 T N 0.612 115.180 114.554 0.023 0.000 2.915 269 T HA 0.171 4.521 4.350 -0.000 0.000 0.269 269 T C 2.580 177.266 174.700 -0.022 0.000 1.071 269 T CA 1.842 63.945 62.100 0.007 0.000 1.132 269 T CB -0.370 68.488 68.868 -0.016 0.000 0.878 269 T HN 0.305 nan 8.240 nan 0.000 0.479 270 A N 0.392 123.199 122.820 -0.020 0.000 1.897 270 A HA 0.086 4.406 4.320 -0.000 0.000 0.215 270 A C 2.499 180.096 177.584 0.021 0.000 1.181 270 A CA 1.431 53.448 52.037 -0.034 0.000 0.620 270 A CB -0.834 18.166 19.000 0.000 0.000 0.821 270 A HN 0.425 nan 8.150 nan 0.000 0.443 271 V N 0.459 120.404 119.914 0.051 0.000 2.515 271 V HA -0.183 3.937 4.120 -0.000 0.000 0.250 271 V C 2.486 178.623 176.094 0.071 0.000 1.058 271 V CA 1.992 64.336 62.300 0.074 0.000 1.064 271 V CB -0.666 31.211 31.823 0.090 0.000 0.675 271 V HN 0.491 nan 8.190 nan 0.000 0.461 272 E N 0.071 120.326 120.200 0.091 0.000 2.106 272 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 272 E C 2.196 178.814 176.600 0.030 0.000 0.984 272 E CA 1.308 57.794 56.400 0.145 0.000 0.806 272 E CB -0.134 29.697 29.700 0.219 0.000 0.750 272 E HN 0.692 nan 8.360 nan 0.000 0.458 273 E N 0.264 120.452 120.200 -0.020 0.000 2.152 273 E HA -0.079 4.271 4.350 -0.000 0.000 0.192 273 E C 1.943 178.577 176.600 0.056 0.000 0.983 273 E CA 0.791 57.135 56.400 -0.093 0.000 0.818 273 E CB -0.260 29.239 29.700 -0.335 0.000 0.758 273 E HN 0.136 nan 8.360 nan 0.000 0.467 274 C N 0.058 119.438 119.300 0.134 0.000 2.440 274 C HA -0.010 4.450 4.460 -0.000 0.000 0.278 274 C C 2.543 177.542 174.990 0.016 0.000 1.295 274 C CA 0.457 59.585 59.018 0.184 0.000 1.738 274 C CB -1.063 26.758 27.740 0.136 0.000 1.987 274 C HN 0.452 nan 8.230 nan 0.000 0.492 275 L N 0.366 121.511 121.223 -0.131 0.000 2.017 275 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 275 L C 2.926 179.540 176.870 -0.426 0.000 1.073 275 L CA 1.569 56.190 54.840 -0.365 0.000 0.745 275 L CB -0.652 41.029 42.059 -0.631 0.000 0.894 275 L HN 0.328 nan 8.230 nan 0.000 0.432 276 R N -1.087 119.175 120.500 -0.397 0.000 2.081 276 R HA -0.229 4.111 4.340 -0.000 0.000 0.235 276 R C 2.405 178.615 176.300 -0.151 0.000 1.131 276 R CA 1.794 57.731 56.100 -0.273 0.000 0.960 276 R CB -0.312 29.829 30.300 -0.266 0.000 0.856 276 R HN 0.271 nan 8.270 nan 0.000 0.436 277 Y N 0.527 120.722 120.300 -0.174 0.000 2.269 277 Y HA 0.047 4.597 4.550 0.000 0.000 0.294 277 Y C 0.253 176.065 175.900 -0.146 0.000 1.120 277 Y CA 0.939 58.952 58.100 -0.146 0.000 1.159 277 Y CB 0.734 39.220 38.460 0.043 0.000 1.024 277 Y HN -0.050 nan 8.280 nan 0.000 0.532 278 E N 0.725 120.930 120.200 0.008 0.000 3.108 278 E HA 0.215 4.565 4.350 -0.000 0.000 0.228 278 E C -0.880 175.718 176.600 -0.004 0.000 1.176 278 E CA -0.147 56.258 56.400 0.009 0.000 0.881 278 E CB 0.877 30.611 29.700 0.058 0.000 1.354 278 E HN 0.051 nan 8.360 nan 0.000 0.400 279 S N 2.693 118.374 115.700 -0.032 0.000 2.498 279 S HA 0.076 4.546 4.470 -0.000 0.000 0.281 279 S C -1.447 173.135 174.600 -0.030 0.000 1.265 279 S CA -0.873 57.277 58.200 -0.083 0.000 1.071 279 S CB 0.731 63.870 63.200 -0.102 0.000 0.894 279 S HN 0.205 nan 8.310 nan 0.000 0.491 280 P HA -0.063 nan 4.420 nan 0.000 0.216 280 P C 0.205 177.603 177.300 0.164 0.000 1.150 280 P CA 1.095 64.239 63.100 0.072 0.000 0.843 280 P CB -0.006 31.721 31.700 0.045 0.000 0.787 281 T N 0.924 115.517 114.554 0.066 0.000 2.743 281 T HA 0.194 4.544 4.350 -0.000 0.000 0.292 281 T C 0.848 175.473 174.700 -0.125 0.000 0.972 281 T CA -0.405 61.690 62.100 -0.008 0.000 0.967 281 T CB 1.135 70.005 68.868 0.005 0.000 0.926 281 T HN -0.021 nan 8.240 nan 0.000 0.459 282 Q N 1.988 121.666 119.800 -0.203 0.000 2.396 282 Q HA 0.289 4.629 4.340 -0.000 0.000 0.209 282 Q C 0.213 176.094 176.000 -0.197 0.000 0.906 282 Q CA 0.450 56.153 55.803 -0.166 0.000 0.927 282 Q CB 0.658 29.328 28.738 -0.113 0.000 1.069 282 Q HN 0.640 nan 8.270 nan 0.000 0.523 283 M N -0.158 119.286 119.600 -0.260 0.000 2.371 283 M HA 0.356 4.836 4.480 -0.000 0.000 0.287 283 M C -1.407 174.786 176.300 -0.179 0.000 1.149 283 M CA -0.064 55.113 55.300 -0.205 0.000 0.929 283 M CB 2.556 35.011 32.600 -0.242 0.000 1.683 283 M HN -0.128 nan 8.290 nan 0.000 0.470 284 T N 2.209 116.710 114.554 -0.088 0.000 2.831 284 T HA 0.991 5.341 4.350 -0.000 0.000 0.287 284 T C -1.778 172.925 174.700 0.005 0.000 1.070 284 T CA -0.293 61.786 62.100 -0.035 0.000 1.010 284 T CB 1.903 70.749 68.868 -0.036 0.000 1.264 284 T HN 0.892 nan 8.240 nan 0.000 0.532 285 A N 1.640 124.462 122.820 0.004 0.000 2.539 285 A HA 0.912 5.232 4.320 -0.000 0.000 0.296 285 A C -1.199 176.333 177.584 -0.086 0.000 1.073 285 A CA -0.775 51.224 52.037 -0.063 0.000 0.700 285 A CB 1.534 20.535 19.000 0.001 0.000 1.296 285 A HN 0.637 nan 8.150 nan 0.000 0.405 286 R N -0.014 120.401 120.500 -0.141 0.000 2.808 286 R HA 0.690 5.030 4.340 -0.000 0.000 0.272 286 R C -1.591 174.697 176.300 -0.019 0.000 0.995 286 R CA -0.716 55.363 56.100 -0.035 0.000 0.917 286 R CB 1.834 32.155 30.300 0.036 0.000 1.217 286 R HN 0.699 nan 8.270 nan 0.000 0.471 287 V N 0.818 120.760 119.914 0.046 0.000 2.555 287 V HA 0.672 4.792 4.120 -0.000 0.000 0.302 287 V C -0.478 175.655 176.094 0.065 0.000 1.038 287 V CA -0.708 61.622 62.300 0.049 0.000 0.887 287 V CB 1.742 33.577 31.823 0.020 0.000 0.991 287 V HN 0.883 nan 8.190 nan 0.000 0.434 288 A N 4.277 127.118 122.820 0.033 0.000 2.396 288 A HA 0.455 4.775 4.320 -0.000 0.000 0.279 288 A C 1.159 178.675 177.584 -0.112 0.000 1.165 288 A CA 0.418 52.374 52.037 -0.134 0.000 0.824 288 A CB 0.409 19.320 19.000 -0.147 0.000 1.100 288 A HN 1.479 nan 8.150 nan 0.000 0.516 289 S N 1.368 116.979 115.700 -0.148 0.000 2.527 289 S HA 0.120 4.590 4.470 -0.000 0.000 0.222 289 S C 0.453 174.995 174.600 -0.096 0.000 0.985 289 S CA 0.545 58.691 58.200 -0.090 0.000 0.921 289 S CB -0.386 62.772 63.200 -0.070 0.000 0.772 289 S HN 0.915 nan 8.310 nan 0.000 0.529 290 E N -0.241 119.872 120.200 -0.145 0.000 2.449 290 E HA 0.395 4.745 4.350 -0.000 0.000 0.278 290 E C -2.194 174.321 176.600 -0.142 0.000 1.059 290 E CA -1.137 55.193 56.400 -0.117 0.000 0.854 290 E CB -0.101 29.535 29.700 -0.106 0.000 1.465 290 E HN -0.096 nan 8.360 nan 0.000 0.462 291 D N 0.550 120.891 120.400 -0.099 0.000 2.417 291 D HA 0.313 4.952 4.640 -0.000 0.000 0.250 291 D C -0.683 175.538 176.300 -0.131 0.000 1.166 291 D CA 0.593 54.536 54.000 -0.094 0.000 0.881 291 D CB 0.405 41.172 40.800 -0.054 0.000 1.164 291 D HN 0.281 nan 8.370 nan 0.000 0.467 292 I N 2.406 122.882 120.570 -0.157 0.000 2.499 292 I HA 0.183 4.353 4.170 -0.000 0.000 0.288 292 I C -0.615 175.441 176.117 -0.102 0.000 1.048 292 I CA -0.906 60.296 61.300 -0.164 0.000 1.062 292 I CB 1.938 39.746 38.000 -0.318 0.000 1.238 292 I HN 0.078 nan 8.210 nan 0.000 0.426 293 D N 7.462 127.824 120.400 -0.063 0.000 2.232 293 D HA 0.575 5.215 4.640 -0.000 0.000 0.242 293 D C -0.645 175.646 176.300 -0.015 0.000 1.093 293 D CA 0.110 54.083 54.000 -0.045 0.000 0.845 293 D CB 2.572 43.353 40.800 -0.030 0.000 1.124 293 D HN 0.379 nan 8.370 nan 0.000 0.467 294 I N 0.836 121.392 120.570 -0.022 0.000 2.722 294 I HA 0.148 4.318 4.170 -0.000 0.000 0.292 294 I C -0.069 176.053 176.117 0.009 0.000 1.267 294 I CA -0.517 60.786 61.300 0.007 0.000 1.036 294 I CB 1.646 39.668 38.000 0.037 0.000 1.281 294 I HN 0.588 nan 8.210 nan 0.000 0.423 295 C N 6.265 125.585 119.300 0.033 0.000 4.268 295 C HA -0.139 4.321 4.460 -0.000 0.000 0.299 295 C C 1.440 176.511 174.990 0.135 0.000 1.429 295 C CA 1.059 60.120 59.018 0.071 0.000 2.018 295 C CB -2.580 25.200 27.740 0.066 0.000 1.277 295 C HN 2.092 nan 8.230 nan 0.000 0.767 296 G N -0.805 108.039 108.800 0.074 0.000 2.153 296 G HA2 0.004 3.964 3.960 -0.000 0.000 0.252 296 G HA3 0.004 3.964 3.960 -0.000 0.000 0.252 296 G C 0.272 175.184 174.900 0.021 0.000 0.994 296 G CA 0.646 45.785 45.100 0.065 0.000 0.698 296 G HN 2.403 nan 8.290 nan 0.000 0.521 297 V N -3.950 115.951 119.914 -0.022 0.000 3.102 297 V HA 0.958 5.078 4.120 -0.000 0.000 0.312 297 V C -0.005 175.991 176.094 -0.164 0.000 1.135 297 V CA -0.449 61.783 62.300 -0.113 0.000 1.022 297 V CB 2.123 33.806 31.823 -0.233 0.000 1.056 297 V HN 0.419 nan 8.190 nan 0.000 0.436 298 T N 3.601 118.058 114.554 -0.162 0.000 2.772 298 T HA 0.646 4.996 4.350 -0.000 0.000 0.288 298 T C -0.235 174.329 174.700 -0.227 0.000 0.994 298 T CA 0.035 62.049 62.100 -0.143 0.000 0.951 298 T CB 0.664 69.508 68.868 -0.041 0.000 0.933 298 T HN 0.612 nan 8.240 nan 0.000 0.447 299 I N 4.184 124.576 120.570 -0.295 0.000 2.304 299 I HA 0.314 4.484 4.170 -0.000 0.000 0.291 299 I C 0.876 176.955 176.117 -0.064 0.000 1.018 299 I CA -0.698 60.442 61.300 -0.267 0.000 1.260 299 I CB 0.676 38.468 38.000 -0.347 0.000 1.390 299 I HN 0.337 nan 8.210 nan 0.000 0.475 300 R N 4.608 125.148 120.500 0.067 0.000 2.560 300 R HA 0.219 4.558 4.340 -0.000 0.000 0.270 300 R C -0.001 176.316 176.300 0.027 0.000 1.074 300 R CA -0.778 55.349 56.100 0.045 0.000 1.140 300 R CB 0.632 30.983 30.300 0.085 0.000 1.073 300 R HN 0.567 nan 8.270 nan 0.000 0.527 301 Q N 0.303 120.099 119.800 -0.006 0.000 2.283 301 Q HA -0.007 4.333 4.340 -0.000 0.000 0.301 301 Q C 0.681 176.691 176.000 0.017 0.000 1.063 301 Q CA 1.542 57.336 55.803 -0.017 0.000 0.952 301 Q CB 0.283 29.007 28.738 -0.022 0.000 1.166 301 Q HN 0.872 nan 8.270 nan 0.000 0.381 302 G N 2.974 111.784 108.800 0.017 0.000 2.217 302 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.246 302 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.246 302 G C -0.252 174.688 174.900 0.067 0.000 0.990 302 G CA 0.186 45.308 45.100 0.036 0.000 0.627 302 G HN 0.649 nan 8.290 nan 0.000 0.522 303 E N 1.118 121.379 120.200 0.102 0.000 2.366 303 E HA 0.375 4.725 4.350 -0.000 0.000 0.266 303 E C 0.079 176.772 176.600 0.155 0.000 1.051 303 E CA -0.267 56.235 56.400 0.169 0.000 0.884 303 E CB 0.498 30.380 29.700 0.302 0.000 1.006 303 E HN 0.268 nan 8.360 nan 0.000 0.417 304 Q N 1.312 121.188 119.800 0.128 0.000 2.235 304 Q HA 0.337 4.677 4.340 -0.000 0.000 0.250 304 Q C -0.655 175.282 176.000 -0.107 0.000 0.909 304 Q CA -0.436 55.335 55.803 -0.053 0.000 0.910 304 Q CB 1.790 30.467 28.738 -0.101 0.000 1.223 304 Q HN 0.239 nan 8.270 nan 0.000 0.432 305 V N 3.300 123.037 119.914 -0.295 0.000 2.444 305 V HA 0.346 4.465 4.120 -0.000 0.000 0.294 305 V C -1.148 174.655 176.094 -0.485 0.000 1.022 305 V CA -0.803 61.372 62.300 -0.210 0.000 0.850 305 V CB 0.892 32.689 31.823 -0.044 0.000 0.992 305 V HN 0.607 nan 8.190 nan 0.000 0.426 306 Y N 4.919 125.140 120.300 -0.131 0.000 2.356 306 Y HA 0.613 5.163 4.550 -0.000 0.000 0.334 306 Y C -0.073 175.770 175.900 -0.095 0.000 0.958 306 Y CA -0.663 57.335 58.100 -0.170 0.000 1.196 306 Y CB 1.512 39.753 38.460 -0.365 0.000 1.137 306 Y HN 0.475 nan 8.280 nan 0.000 0.485 307 L N 5.497 126.731 121.223 0.019 0.000 2.255 307 L HA 0.361 4.700 4.340 -0.000 0.000 0.289 307 L C -0.562 176.277 176.870 -0.052 0.000 1.046 307 L CA -0.266 54.553 54.840 -0.035 0.000 0.816 307 L CB 0.534 42.539 42.059 -0.091 0.000 1.197 307 L HN 0.529 nan 8.230 nan 0.000 0.427 308 L N 5.259 126.439 121.223 -0.072 0.000 2.328 308 L HA 0.220 4.560 4.340 -0.000 0.000 0.280 308 L C 1.161 177.890 176.870 -0.235 0.000 1.111 308 L CA -0.235 54.491 54.840 -0.190 0.000 0.909 308 L CB 0.404 42.288 42.059 -0.292 0.000 1.277 308 L HN 0.725 nan 8.230 nan 0.000 0.433 309 L N 1.995 123.109 121.223 -0.181 0.000 2.083 309 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 309 L C 2.520 179.313 176.870 -0.127 0.000 1.083 309 L CA 1.464 56.224 54.840 -0.132 0.000 0.752 309 L CB -0.519 41.479 42.059 -0.101 0.000 0.899 309 L HN 0.793 nan 8.230 nan 0.000 0.433 310 G N -0.290 108.408 108.800 -0.170 0.000 2.422 310 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 310 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 310 G C 1.779 176.619 174.900 -0.100 0.000 1.146 310 G CA 0.817 45.866 45.100 -0.085 0.000 0.769 310 G HN 0.459 nan 8.290 nan 0.000 0.547 311 A N 1.217 123.798 122.820 -0.398 0.000 1.873 311 A HA 0.340 4.660 4.320 -0.000 0.000 0.215 311 A C 2.823 180.376 177.584 -0.051 0.000 1.186 311 A CA 2.075 53.932 52.037 -0.299 0.000 0.616 311 A CB -0.820 17.829 19.000 -0.584 0.000 0.823 311 A HN 0.755 nan 8.150 nan 0.000 0.442 312 A N 0.360 123.154 122.820 -0.042 0.000 1.940 312 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 312 A C 1.742 179.498 177.584 0.286 0.000 1.176 312 A CA 1.779 53.878 52.037 0.103 0.000 0.631 312 A CB -0.644 18.359 19.000 0.005 0.000 0.814 312 A HN 0.524 nan 8.150 nan 0.000 0.446 313 N N -0.303 118.492 118.700 0.158 0.000 2.573 313 N HA -0.052 4.688 4.740 -0.000 0.000 0.187 313 N C 0.831 176.302 175.510 -0.065 0.000 1.107 313 N CA 0.562 53.660 53.050 0.081 0.000 0.918 313 N CB -0.077 38.363 38.487 -0.078 0.000 0.966 313 N HN 0.370 nan 8.380 nan 0.000 0.448 314 R N 0.364 120.902 120.500 0.063 0.000 2.586 314 R HA 0.125 4.465 4.340 -0.000 0.000 0.336 314 R C -0.395 175.999 176.300 0.158 0.000 1.060 314 R CA -0.262 55.872 56.100 0.057 0.000 1.079 314 R CB 0.009 30.317 30.300 0.014 0.000 1.317 314 R HN 0.072 nan 8.270 nan 0.000 0.568 315 D N 2.812 123.367 120.400 0.258 0.000 2.339 315 D HA 0.056 4.696 4.640 -0.000 0.000 0.256 315 D C -1.327 175.054 176.300 0.135 0.000 1.214 315 D CA -1.927 52.180 54.000 0.179 0.000 0.877 315 D CB 1.669 42.578 40.800 0.182 0.000 1.111 315 D HN -0.013 nan 8.370 nan 0.000 0.478 316 P HA -0.120 nan 4.420 nan 0.000 0.226 316 P C 1.040 178.330 177.300 -0.016 0.000 1.153 316 P CA 0.630 63.759 63.100 0.048 0.000 0.777 316 P CB 0.107 31.831 31.700 0.039 0.000 0.794 317 S N -1.922 113.750 115.700 -0.048 0.000 2.607 317 S HA 0.034 4.504 4.470 -0.000 0.000 0.224 317 S C 1.594 176.066 174.600 -0.213 0.000 0.969 317 S CA 0.287 58.428 58.200 -0.098 0.000 0.927 317 S CB -0.666 62.492 63.200 -0.071 0.000 0.772 317 S HN -0.058 nan 8.310 nan 0.000 0.533 318 I N -0.833 119.542 120.570 -0.326 0.000 3.873 318 I HA 0.398 4.568 4.170 -0.000 0.000 0.284 318 I C -0.519 175.155 176.117 -0.738 0.000 1.186 318 I CA 0.092 60.975 61.300 -0.695 0.000 1.362 318 I CB -0.677 36.570 38.000 -1.256 0.000 1.432 318 I HN 0.202 nan 8.210 nan 0.000 0.454 319 F N 3.019 122.880 119.950 -0.149 0.000 2.347 319 F HA 0.321 4.848 4.527 -0.000 0.000 0.366 319 F C 0.910 176.676 175.800 -0.057 0.000 1.107 319 F CA -1.134 56.812 58.000 -0.089 0.000 1.058 319 F CB 0.801 39.767 39.000 -0.056 0.000 1.236 319 F HN -0.118 nan 8.300 nan 0.000 0.456 320 T N 0.772 115.372 114.554 0.078 0.000 2.928 320 T HA 0.088 4.438 4.350 -0.000 0.000 0.305 320 T C 0.366 175.107 174.700 0.068 0.000 1.035 320 T CA -0.669 61.459 62.100 0.047 0.000 1.145 320 T CB 0.202 69.078 68.868 0.012 0.000 0.963 320 T HN 0.617 nan 8.240 nan 0.000 0.545 321 N N 2.625 121.358 118.700 0.055 0.000 2.642 321 N HA -0.110 4.630 4.740 -0.000 0.000 0.269 321 N C -1.787 173.768 175.510 0.075 0.000 1.073 321 N CA 0.579 53.663 53.050 0.056 0.000 0.748 321 N CB -0.741 37.769 38.487 0.039 0.000 0.894 321 N HN 0.603 nan 8.380 nan 0.000 0.548 322 P HA -0.087 nan 4.420 nan 0.000 0.221 322 P C 0.492 177.834 177.300 0.070 0.000 1.150 322 P CA 1.080 64.232 63.100 0.087 0.000 0.800 322 P CB 0.326 32.084 31.700 0.097 0.000 0.787 323 D N -0.499 119.950 120.400 0.082 0.000 2.328 323 D HA 0.064 4.704 4.640 -0.000 0.000 0.226 323 D C 0.306 176.773 176.300 0.278 0.000 1.066 323 D CA 0.180 54.252 54.000 0.120 0.000 0.861 323 D CB 0.312 41.143 40.800 0.052 0.000 0.912 323 D HN 0.064 nan 8.370 nan 0.000 0.521 324 V N 1.880 121.904 119.914 0.183 0.000 2.383 324 V HA 0.141 4.261 4.120 -0.000 0.000 0.275 324 V C -0.136 175.920 176.094 -0.063 0.000 1.036 324 V CA -0.882 61.473 62.300 0.092 0.000 0.889 324 V CB 1.085 32.929 31.823 0.035 0.000 0.985 324 V HN -0.035 nan 8.190 nan 0.000 0.459 325 F N 5.259 124.880 119.950 -0.549 0.000 2.438 325 F HA 0.458 4.985 4.527 -0.000 0.000 0.360 325 F C 0.034 175.513 175.800 -0.536 0.000 1.118 325 F CA -0.339 57.083 58.000 -0.964 0.000 1.164 325 F CB 0.483 38.446 39.000 -1.729 0.000 1.131 325 F HN 0.557 nan 8.300 nan 0.000 0.527 326 D N 6.547 126.461 120.400 -0.811 0.000 2.402 326 D HA 0.143 4.783 4.640 -0.000 0.000 0.252 326 D C 0.684 176.617 176.300 -0.612 0.000 1.294 326 D CA -0.446 53.214 54.000 -0.566 0.000 0.948 326 D CB 0.521 41.156 40.800 -0.275 0.000 1.202 326 D HN 0.558 nan 8.370 nan 0.000 0.561 327 I N 0.985 121.161 120.570 -0.658 0.000 3.176 327 I HA 0.029 4.199 4.170 -0.000 0.000 0.275 327 I C 1.268 177.239 176.117 -0.242 0.000 1.298 327 I CA 0.948 61.962 61.300 -0.476 0.000 1.445 327 I CB -0.355 37.428 38.000 -0.360 0.000 1.075 327 I HN 0.289 nan 8.210 nan 0.000 0.482 328 T N -2.248 112.186 114.554 -0.201 0.000 3.086 328 T HA 0.236 4.586 4.350 -0.000 0.000 0.250 328 T C 0.952 175.600 174.700 -0.086 0.000 1.074 328 T CA -0.406 61.626 62.100 -0.114 0.000 0.988 328 T CB -0.293 68.522 68.868 -0.088 0.000 0.988 328 T HN 0.304 nan 8.240 nan 0.000 0.530 329 R N 1.908 122.345 120.500 -0.106 0.000 2.486 329 R HA 0.295 4.635 4.340 -0.000 0.000 0.303 329 R C -0.435 175.861 176.300 -0.007 0.000 0.958 329 R CA 0.241 56.314 56.100 -0.046 0.000 1.077 329 R CB 0.147 30.424 30.300 -0.038 0.000 0.921 329 R HN 0.278 nan 8.270 nan 0.000 0.406 330 S N 3.514 119.218 115.700 0.006 0.000 2.614 330 S HA 0.444 4.913 4.470 -0.000 0.000 0.275 330 S C -2.062 172.543 174.600 0.008 0.000 1.161 330 S CA -1.272 56.935 58.200 0.012 0.000 0.969 330 S CB 1.132 64.331 63.200 -0.001 0.000 1.059 330 S HN 0.550 nan 8.310 nan 0.000 0.482 331 P HA 0.514 nan 4.420 nan 0.000 0.307 331 P C -1.174 176.175 177.300 0.082 0.000 1.306 331 P CA -0.594 62.526 63.100 0.034 0.000 0.742 331 P CB 0.460 32.171 31.700 0.019 0.000 1.349 332 N N 0.479 119.248 118.700 0.115 0.000 2.727 332 N HA 0.194 4.934 4.740 -0.000 0.000 0.252 332 N C -2.508 173.123 175.510 0.202 0.000 1.283 332 N CA -1.262 51.930 53.050 0.236 0.000 0.782 332 N CB 0.830 39.459 38.487 0.235 0.000 1.199 332 N HN 0.169 nan 8.380 nan 0.000 0.520 333 P HA 0.126 nan 4.420 nan 0.000 0.220 333 P C -0.265 177.243 177.300 0.347 0.000 1.778 333 P CA -0.205 62.981 63.100 0.144 0.000 0.912 333 P CB -0.966 30.788 31.700 0.091 0.000 1.861 334 H N -0.828 118.486 119.070 0.406 0.000 2.745 334 H HA 0.185 4.741 4.556 -0.000 0.000 0.373 334 H C 0.466 175.913 175.328 0.198 0.000 1.226 334 H CA -0.526 55.723 56.048 0.335 0.000 1.435 334 H CB 0.379 30.202 29.762 0.102 0.000 1.461 334 H HN 0.010 nan 8.280 nan 0.000 0.616 335 L N 1.266 122.668 121.223 0.297 0.000 3.110 335 L HA 0.205 4.545 4.340 -0.000 0.000 0.266 335 L C 1.174 178.120 176.870 0.128 0.000 1.257 335 L CA -0.066 54.840 54.840 0.109 0.000 1.038 335 L CB 0.239 42.240 42.059 -0.096 0.000 1.395 335 L HN 0.655 nan 8.230 nan 0.000 0.566 336 S N -0.036 115.794 115.700 0.217 0.000 2.423 336 S HA 0.004 4.474 4.470 -0.000 0.000 0.231 336 S C 1.346 175.846 174.600 -0.167 0.000 1.014 336 S CA 1.241 59.390 58.200 -0.084 0.000 0.965 336 S CB -0.103 62.883 63.200 -0.356 0.000 0.785 336 S HN 0.410 nan 8.310 nan 0.000 0.495 337 F N 1.441 121.499 119.950 0.180 0.000 2.693 337 F HA 0.342 4.869 4.527 -0.000 0.000 0.303 337 F C 1.667 177.521 175.800 0.090 0.000 1.097 337 F CA 0.069 58.142 58.000 0.122 0.000 1.330 337 F CB -0.013 39.065 39.000 0.131 0.000 1.067 337 F HN 0.332 nan 8.300 nan 0.000 0.565 338 G N 0.369 109.293 108.800 0.205 0.000 2.542 338 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.235 338 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.235 338 G C -1.281 173.745 174.900 0.210 0.000 1.286 338 G CA -0.291 44.898 45.100 0.149 0.000 0.904 338 G HN 0.497 nan 8.290 nan 0.000 0.577 339 H N -1.151 117.931 119.070 0.020 0.000 3.093 339 H HA 0.647 5.203 4.556 -0.000 0.000 0.312 339 H C 0.526 175.834 175.328 -0.034 0.000 1.213 339 H CA 1.910 57.946 56.048 -0.020 0.000 1.366 339 H CB 0.950 30.668 29.762 -0.072 0.000 1.998 339 H HN 2.657 nan 8.280 nan 0.000 0.522 340 G N 1.822 110.357 108.800 -0.442 0.000 2.527 340 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.227 340 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.227 340 G C 0.593 175.367 174.900 -0.212 0.000 1.291 340 G CA 0.469 45.331 45.100 -0.397 0.000 0.904 340 G HN 0.841 nan 8.290 nan 0.000 0.577 341 H N -0.278 118.747 119.070 -0.076 0.000 2.457 341 H HA 0.048 4.604 4.556 -0.000 0.000 0.294 341 H C 1.890 177.132 175.328 -0.142 0.000 1.064 341 H CA 1.347 57.333 56.048 -0.103 0.000 1.330 341 H CB 0.052 29.723 29.762 -0.152 0.000 1.395 341 H HN 0.474 nan 8.280 nan 0.000 0.541 342 H N -0.161 118.945 119.070 0.061 0.000 2.517 342 H HA 0.113 4.668 4.556 -0.000 0.000 0.282 342 H C 0.345 175.702 175.328 0.048 0.000 1.023 342 H CA -0.127 55.942 56.048 0.034 0.000 1.169 342 H CB 0.019 29.738 29.762 -0.073 0.000 1.454 342 H HN 0.099 nan 8.280 nan 0.000 0.556 343 V N 1.852 121.837 119.914 0.118 0.000 2.752 343 V HA -0.148 3.972 4.120 -0.000 0.000 0.306 343 V C 0.878 177.023 176.094 0.085 0.000 1.099 343 V CA -0.125 62.236 62.300 0.101 0.000 1.240 343 V CB 0.266 32.122 31.823 0.055 0.000 0.887 343 V HN 0.600 nan 8.190 nan 0.000 0.499 344 C N 7.239 126.610 119.300 0.117 0.000 2.334 344 C HA -0.043 4.417 4.460 -0.000 0.000 0.395 344 C C 1.607 176.562 174.990 -0.058 0.000 1.507 344 C CA 0.495 59.557 59.018 0.073 0.000 1.494 344 C CB -1.127 26.745 27.740 0.219 0.000 2.509 344 C HN 1.016 nan 8.230 nan 0.000 0.599 345 L N 5.666 126.825 121.223 -0.107 0.000 2.156 345 L HA 0.241 4.580 4.340 -0.000 0.000 0.208 345 L C 2.098 178.789 176.870 -0.299 0.000 1.095 345 L CA 2.305 57.029 54.840 -0.194 0.000 0.770 345 L CB -0.456 41.446 42.059 -0.262 0.000 0.914 345 L HN 0.901 nan 8.230 nan 0.000 0.439 346 G N -1.942 106.652 108.800 -0.343 0.000 3.707 346 G HA2 0.109 4.069 3.960 -0.000 0.000 0.286 346 G HA3 0.109 4.069 3.960 -0.000 0.000 0.286 346 G C 1.226 176.041 174.900 -0.142 0.000 1.112 346 G CA 0.495 45.425 45.100 -0.284 0.000 0.861 346 G HN 0.431 nan 8.290 nan 0.000 0.534 347 S N -0.096 115.420 115.700 -0.308 0.000 2.383 347 S HA -0.113 4.357 4.470 -0.000 0.000 0.227 347 S C 2.319 176.695 174.600 -0.374 0.000 1.026 347 S CA 1.527 59.292 58.200 -0.725 0.000 0.981 347 S CB -0.185 62.241 63.200 -1.290 0.000 0.818 347 S HN 0.158 nan 8.310 nan 0.000 0.472 348 S N 1.954 117.555 115.700 -0.164 0.000 2.368 348 S HA 0.065 4.535 4.470 -0.000 0.000 0.224 348 S C 1.742 176.375 174.600 0.055 0.000 1.029 348 S CA 1.107 59.286 58.200 -0.035 0.000 0.988 348 S CB -0.590 62.615 63.200 0.007 0.000 0.838 348 S HN 0.480 nan 8.310 nan 0.000 0.462 349 L N 2.047 123.343 121.223 0.122 0.000 2.046 349 L HA 0.026 4.366 4.340 -0.000 0.000 0.208 349 L C 2.309 179.258 176.870 0.131 0.000 1.077 349 L CA 1.906 56.857 54.840 0.185 0.000 0.747 349 L CB -1.025 41.211 42.059 0.294 0.000 0.896 349 L HN 0.225 nan 8.230 nan 0.000 0.432 350 A N -0.225 122.664 122.820 0.116 0.000 1.883 350 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 350 A C 2.435 180.115 177.584 0.161 0.000 1.186 350 A CA 1.951 54.081 52.037 0.154 0.000 0.624 350 A CB -0.592 18.571 19.000 0.272 0.000 0.822 350 A HN 0.525 nan 8.150 nan 0.000 0.444 351 R N -1.327 119.270 120.500 0.161 0.000 2.081 351 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 351 R C 2.124 178.487 176.300 0.104 0.000 1.131 351 R CA 1.399 57.591 56.100 0.153 0.000 0.960 351 R CB -0.518 29.862 30.300 0.133 0.000 0.856 351 R HN 0.481 nan 8.270 nan 0.000 0.436 352 L N 1.537 122.815 121.223 0.092 0.000 2.017 352 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 352 L C 1.863 178.774 176.870 0.070 0.000 1.073 352 L CA 1.818 56.708 54.840 0.083 0.000 0.745 352 L CB -0.357 41.762 42.059 0.100 0.000 0.894 352 L HN 0.126 nan 8.230 nan 0.000 0.432 353 E N -0.590 119.650 120.200 0.067 0.000 2.058 353 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 353 E C 2.123 178.724 176.600 0.002 0.000 0.997 353 E CA 1.321 57.736 56.400 0.025 0.000 0.801 353 E CB -0.312 29.393 29.700 0.009 0.000 0.746 353 E HN 0.658 nan 8.360 nan 0.000 0.450 354 A N 1.071 123.909 122.820 0.030 0.000 1.873 354 A HA -0.247 4.073 4.320 -0.000 0.000 0.215 354 A C 2.056 179.665 177.584 0.041 0.000 1.186 354 A CA 1.434 53.489 52.037 0.029 0.000 0.616 354 A CB -0.478 18.558 19.000 0.060 0.000 0.823 354 A HN 0.178 nan 8.150 nan 0.000 0.442 355 Q N -0.468 119.364 119.800 0.054 0.000 2.061 355 Q HA -0.137 4.203 4.340 -0.000 0.000 0.204 355 Q C 2.053 178.079 176.000 0.043 0.000 0.984 355 Q CA 1.750 57.584 55.803 0.052 0.000 0.846 355 Q CB -0.344 28.428 28.738 0.056 0.000 0.902 355 Q HN 0.747 nan 8.270 nan 0.000 0.421 356 I N 0.322 120.914 120.570 0.036 0.000 2.252 356 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 356 I C 2.422 178.557 176.117 0.031 0.000 1.102 356 I CA 0.829 62.144 61.300 0.025 0.000 1.385 356 I CB -0.422 37.589 38.000 0.018 0.000 1.064 356 I HN 0.166 nan 8.210 nan 0.000 0.414 357 A N 1.203 124.045 122.820 0.036 0.000 1.877 357 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 357 A C 2.288 180.003 177.584 0.219 0.000 1.186 357 A CA 1.592 53.701 52.037 0.121 0.000 0.620 357 A CB -0.787 18.143 19.000 -0.116 0.000 0.822 357 A HN 0.363 nan 8.150 nan 0.000 0.443 358 I N -0.489 120.154 120.570 0.121 0.000 2.233 358 I HA -0.211 3.959 4.170 -0.000 0.000 0.243 358 I C 2.284 178.436 176.117 0.059 0.000 1.093 358 I CA 1.223 62.585 61.300 0.103 0.000 1.380 358 I CB -0.461 37.584 38.000 0.074 0.000 1.067 358 I HN 0.249 nan 8.210 nan 0.000 0.413 359 N N 0.551 119.277 118.700 0.044 0.000 2.104 359 N HA -0.153 4.587 4.740 -0.000 0.000 0.190 359 N C 1.839 177.351 175.510 0.004 0.000 1.024 359 N CA 1.942 55.007 53.050 0.024 0.000 0.853 359 N CB -0.482 38.021 38.487 0.026 0.000 1.008 359 N HN 0.281 nan 8.380 nan 0.000 0.424 360 T N 1.049 115.599 114.554 -0.008 0.000 2.777 360 T HA -0.089 4.260 4.350 -0.000 0.000 0.266 360 T C 1.940 176.580 174.700 -0.100 0.000 1.040 360 T CA 0.578 62.640 62.100 -0.063 0.000 1.141 360 T CB -0.365 68.404 68.868 -0.164 0.000 0.868 360 T HN 0.110 nan 8.240 nan 0.000 0.444 361 L N 1.079 122.245 121.223 -0.094 0.000 2.012 361 L HA 0.000 4.340 4.340 -0.000 0.000 0.210 361 L C 2.155 178.936 176.870 -0.149 0.000 1.073 361 L CA 1.657 56.376 54.840 -0.203 0.000 0.748 361 L CB -0.639 41.327 42.059 -0.153 0.000 0.891 361 L HN 0.240 nan 8.230 nan 0.000 0.431 362 L N -1.263 119.920 121.223 -0.067 0.000 2.141 362 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 362 L C 2.578 179.424 176.870 -0.041 0.000 1.094 362 L CA 1.098 55.913 54.840 -0.043 0.000 0.763 362 L CB -0.486 41.569 42.059 -0.008 0.000 0.908 362 L HN 0.424 nan 8.230 nan 0.000 0.437 363 Q N -0.327 119.450 119.800 -0.039 0.000 2.049 363 Q HA -0.124 4.216 4.340 -0.000 0.000 0.198 363 Q C 2.281 178.258 176.000 -0.039 0.000 0.971 363 Q CA 1.303 57.092 55.803 -0.023 0.000 0.833 363 Q CB 0.111 28.849 28.738 -0.000 0.000 0.896 363 Q HN 0.382 nan 8.270 nan 0.000 0.434 364 R N -0.716 119.738 120.500 -0.078 0.000 2.246 364 R HA 0.122 4.462 4.340 -0.000 0.000 0.199 364 R C 0.061 176.271 176.300 -0.151 0.000 0.984 364 R CA 0.370 56.410 56.100 -0.100 0.000 1.015 364 R CB 0.519 30.746 30.300 -0.122 0.000 0.930 364 R HN 0.194 nan 8.270 nan 0.000 0.475 365 M N 1.524 121.017 119.600 -0.179 0.000 2.386 365 M HA 0.254 4.734 4.480 -0.000 0.000 0.245 365 M C -2.189 174.082 176.300 -0.050 0.000 0.982 365 M CA -2.147 53.051 55.300 -0.170 0.000 0.860 365 M CB 1.076 33.460 32.600 -0.361 0.000 1.371 365 M HN -0.222 nan 8.290 nan 0.000 0.425 366 P HA -0.054 nan 4.420 nan 0.000 0.223 366 P C 0.518 177.835 177.300 0.029 0.000 1.151 366 P CA 1.080 64.185 63.100 0.008 0.000 0.787 366 P CB 0.133 31.841 31.700 0.012 0.000 0.788 367 S N -0.851 114.882 115.700 0.055 0.000 2.457 367 S HA 0.319 4.789 4.470 -0.000 0.000 0.237 367 S C 0.058 174.715 174.600 0.094 0.000 1.213 367 S CA -0.836 57.402 58.200 0.065 0.000 1.218 367 S CB -0.932 62.304 63.200 0.060 0.000 0.922 367 S HN -0.097 nan 8.310 nan 0.000 0.488 368 L N 2.561 123.834 121.223 0.083 0.000 2.410 368 L HA 0.469 4.809 4.340 -0.000 0.000 0.273 368 L C -0.394 176.526 176.870 0.083 0.000 1.152 368 L CA 0.744 55.647 54.840 0.105 0.000 0.855 368 L CB 0.066 42.154 42.059 0.048 0.000 1.129 368 L HN 0.458 nan 8.230 nan 0.000 0.463 369 N N 2.909 121.668 118.700 0.099 0.000 2.357 369 N HA 0.569 5.309 4.740 -0.000 0.000 0.284 369 N C -1.496 174.075 175.510 0.100 0.000 1.236 369 N CA -0.814 52.284 53.050 0.081 0.000 0.774 369 N CB 1.381 39.906 38.487 0.063 0.000 1.534 369 N HN 0.438 nan 8.380 nan 0.000 0.478 370 L N 1.490 122.786 121.223 0.121 0.000 2.397 370 L HA 0.561 4.901 4.340 -0.000 0.000 0.271 370 L C 0.711 177.683 176.870 0.169 0.000 1.148 370 L CA -0.310 54.652 54.840 0.203 0.000 0.825 370 L CB 0.645 42.921 42.059 0.362 0.000 1.117 370 L HN 0.595 nan 8.230 nan 0.000 0.456 376 R N 1.662 122.175 120.500 0.023 0.000 2.393 376 R HA 0.584 4.924 4.340 -0.000 0.000 0.310 376 R C -1.311 174.929 176.300 -0.101 0.000 0.968 376 R CA -1.052 55.051 56.100 0.004 0.000 0.867 376 R CB 1.672 31.986 30.300 0.024 0.000 1.124 376 R HN 0.432 nan 8.270 nan 0.000 0.450 377 Y N 1.468 121.821 120.300 0.089 0.000 2.323 377 Y HA 0.302 4.852 4.550 -0.000 0.000 0.331 377 Y C 0.789 176.739 175.900 0.084 0.000 1.092 377 Y CA -0.643 57.503 58.100 0.076 0.000 1.150 377 Y CB 1.095 39.581 38.460 0.043 0.000 1.200 377 Y HN 0.271 nan 8.280 nan 0.000 0.472 378 R N 4.131 124.772 120.500 0.234 0.000 2.698 378 R HA 0.041 4.381 4.340 -0.000 0.000 0.266 378 R C -2.137 174.296 176.300 0.221 0.000 1.026 378 R CA -1.271 54.939 56.100 0.183 0.000 1.102 378 R CB -0.031 30.361 30.300 0.152 0.000 0.978 378 R HN 0.411 nan 8.270 nan 0.000 0.436 379 P HA 0.028 nan 4.420 nan 0.000 0.231 379 P C -1.005 176.429 177.300 0.223 0.000 1.756 379 P CA 0.530 63.752 63.100 0.204 0.000 0.990 379 P CB -0.012 31.760 31.700 0.120 0.000 1.973 380 L N 0.825 122.239 121.223 0.318 0.000 2.385 380 L HA 0.412 4.752 4.340 -0.000 0.000 0.273 380 L C 0.961 178.140 176.870 0.516 0.000 0.990 380 L CA -0.910 54.149 54.840 0.364 0.000 0.821 380 L CB 1.491 43.780 42.059 0.384 0.000 1.279 380 L HN -0.083 nan 8.230 nan 0.000 0.412 381 F N 0.913 120.927 119.950 0.107 0.000 2.530 381 F HA 0.165 4.692 4.527 -0.000 0.000 0.292 381 F C 2.024 177.780 175.800 -0.074 0.000 1.109 381 F CA 0.377 58.408 58.000 0.053 0.000 1.450 381 F CB -0.146 38.833 39.000 -0.035 0.000 1.114 381 F HN 0.600 nan 8.300 nan 0.000 0.560 382 G N -1.438 107.374 108.800 0.020 0.000 2.880 382 G HA2 0.058 4.018 3.960 -0.000 0.000 0.209 382 G HA3 0.058 4.018 3.960 -0.000 0.000 0.209 382 G C -0.080 174.401 174.900 -0.700 0.000 1.157 382 G CA 0.283 45.150 45.100 -0.388 0.000 0.779 382 G HN 0.116 nan 8.290 nan 0.000 0.539 383 F N -1.647 118.349 119.950 0.076 0.000 2.588 383 F HA 0.581 5.108 4.527 -0.000 0.000 0.310 383 F C 0.064 175.888 175.800 0.041 0.000 1.082 383 F CA -1.317 56.717 58.000 0.057 0.000 0.929 383 F CB 2.111 41.159 39.000 0.081 0.000 1.254 383 F HN -0.280 nan 8.300 nan 0.000 0.455 384 R N 1.846 122.468 120.500 0.203 0.000 2.280 384 R HA 0.782 5.122 4.340 -0.000 0.000 0.326 384 R C -1.431 175.019 176.300 0.249 0.000 1.080 384 R CA -0.204 55.967 56.100 0.119 0.000 1.002 384 R CB 0.441 30.741 30.300 0.000 0.000 1.136 384 R HN 0.747 nan 8.270 nan 0.000 0.509 385 A N 5.316 128.333 122.820 0.328 0.000 2.332 385 A HA 0.413 4.733 4.320 -0.000 0.000 0.300 385 A C -0.823 176.919 177.584 0.263 0.000 1.153 385 A CA -0.738 51.456 52.037 0.262 0.000 0.764 385 A CB 0.823 19.937 19.000 0.189 0.000 1.174 385 A HN 0.661 nan 8.150 nan 0.000 0.467 386 L N 2.114 123.398 121.223 0.102 0.000 2.439 386 L HA 0.173 4.513 4.340 -0.000 0.000 0.269 386 L C 1.470 178.333 176.870 -0.011 0.000 1.179 386 L CA -0.422 54.357 54.840 -0.101 0.000 0.828 386 L CB 0.706 42.659 42.059 -0.178 0.000 1.106 386 L HN 0.819 nan 8.230 nan 0.000 0.467 387 E N 1.988 122.173 120.200 -0.025 0.000 2.028 387 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 387 E C -0.046 176.557 176.600 0.006 0.000 0.988 387 E CA 1.099 57.504 56.400 0.008 0.000 0.799 387 E CB 0.209 29.917 29.700 0.013 0.000 0.755 387 E HN 0.745 nan 8.360 nan 0.000 0.447 388 E N -0.694 119.513 120.200 0.010 0.000 2.423 388 E HA 0.459 4.809 4.350 -0.000 0.000 0.280 388 E C -1.325 175.313 176.600 0.062 0.000 1.030 388 E CA -0.737 55.683 56.400 0.033 0.000 0.812 388 E CB 1.286 31.006 29.700 0.034 0.000 1.313 388 E HN -0.058 nan 8.360 nan 0.000 0.456 389 L N 1.567 122.836 121.223 0.075 0.000 2.490 389 L HA 0.454 4.794 4.340 -0.000 0.000 0.256 389 L C -2.898 174.046 176.870 0.123 0.000 1.089 389 L CA -1.661 53.238 54.840 0.098 0.000 0.916 389 L CB 1.347 43.417 42.059 0.019 0.000 1.188 389 L HN 0.360 nan 8.230 nan 0.000 0.476 390 P HA 0.364 nan 4.420 nan 0.000 0.276 390 P C -0.948 176.440 177.300 0.146 0.000 1.235 390 P CA -0.079 63.097 63.100 0.126 0.000 0.772 390 P CB 1.280 33.038 31.700 0.097 0.000 0.871 391 V N 0.249 120.240 119.914 0.129 0.000 3.102 391 V HA 0.926 5.045 4.120 -0.000 0.000 0.312 391 V C -0.298 175.861 176.094 0.108 0.000 1.135 391 V CA -0.872 61.512 62.300 0.140 0.000 1.022 391 V CB 1.895 33.815 31.823 0.162 0.000 1.056 391 V HN 0.613 nan 8.190 nan 0.000 0.436 392 T N 0.247 114.852 114.554 0.084 0.000 2.924 392 T HA 0.943 5.293 4.350 -0.000 0.000 0.291 392 T C -0.747 173.997 174.700 0.073 0.000 1.045 392 T CA -0.462 61.604 62.100 -0.057 0.000 1.015 392 T CB 1.846 70.670 68.868 -0.074 0.000 1.103 392 T HN 1.767 nan 8.240 nan 0.000 0.496 393 F N -1.804 118.137 119.950 -0.014 0.000 2.985 393 F HA 0.795 5.322 4.527 -0.000 0.000 0.322 393 F C -0.684 175.105 175.800 -0.019 0.000 1.187 393 F CA -1.350 56.638 58.000 -0.020 0.000 0.910 393 F CB 0.145 39.124 39.000 -0.036 0.000 1.411 393 F HN 0.757 nan 8.300 nan 0.000 0.492 394 E N 0.000 120.372 120.200 0.286 0.000 2.725 394 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 394 E CA 0.000 56.489 56.400 0.148 0.000 0.976 394 E CB 0.000 29.798 29.700 0.163 0.000 0.812 394 E HN 0.000 nan 8.360 nan 0.000 0.440