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 2d3n_1_A DATA FIRST_RESID 5 DATA SEQUENCE TNGTMMQYFE WYLPNDGNHW NRLNSDASNL KSKGITAVWI PPAWKGASQN DATA SEQUENCE DVGYGAYDLY DLGEFNQKGT VRTKYGTRSQ LQAAVTSLKN NGIQVYGDVV DATA SEQUENCE MNHKGGADAT EMVRAVEVNP NNRNQEVTGE YTIEAWTRFD FPGRGNTHSS DATA SEQUENCE FKWRWYHFDG VDWDQSRRLN NRIYKFRGHG KAWDWEVDTE NGNYDYLMYA DATA SEQUENCE DIDMDHPEVV NELRNWGVWY TNTLGLDGFR IDAVKHIKYS FTRDWINHVR DATA SEQUENCE SATGKNMFAV AEFWKNDLGA IENYLQKTNW NHSVFDVPLH YNLYNASKSG DATA SEQUENCE GNYDMRNIFN GTVVQRHPSH AVTFVDNHDS QPEEALESFV EEWFKPLAYA DATA SEQUENCE LTLTREQGYP SVFYGDYYGI PTHGVPAMRS KIDPILEARQ KYAYGKQNDY DATA SEQUENCE LDHHNIIGWT REGNTAHPNS GLATIMSDGA GGSKWMFVGR NKAGQVWSDI DATA SEQUENCE TGNRTGTVTI NADGWGNFSV NGGSVSIWVN K 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.799 174.700 0.165 0.000 1.109 5 T CA 0.000 62.232 62.100 0.220 0.000 1.349 5 T CB 0.000 69.068 68.868 0.334 0.000 0.612 6 N N 2.581 121.395 118.700 0.189 0.000 2.468 6 N HA 0.418 5.158 4.740 0.000 0.000 0.265 6 N C 0.233 175.753 175.510 0.016 0.000 1.199 6 N CA 0.455 53.519 53.050 0.025 0.000 0.928 6 N CB 1.047 39.456 38.487 -0.130 0.000 1.059 6 N HN 0.530 nan 8.380 nan 0.000 0.467 7 G N 0.682 109.466 108.800 -0.026 0.000 2.420 7 G HA2 0.483 4.443 3.960 0.000 0.000 0.284 7 G HA3 0.483 4.443 3.960 0.000 0.000 0.284 7 G C -0.619 174.391 174.900 0.182 0.000 1.177 7 G CA -0.226 44.877 45.100 0.006 0.000 0.841 7 G HN 0.383 nan 8.290 nan 0.000 0.527 8 T N 1.927 116.629 114.554 0.245 0.000 3.011 8 T HA 0.427 4.777 4.350 0.000 0.000 0.303 8 T C 0.177 175.000 174.700 0.205 0.000 0.997 8 T CA -0.458 61.796 62.100 0.255 0.000 1.007 8 T CB 1.294 70.240 68.868 0.129 0.000 1.017 8 T HN 0.774 nan 8.240 nan 0.000 0.443 9 M N 2.509 122.195 119.600 0.143 0.000 2.471 9 M HA 0.830 5.310 4.480 0.000 0.000 0.309 9 M C -0.673 175.724 176.300 0.162 0.000 1.186 9 M CA -0.858 54.499 55.300 0.094 0.000 1.008 9 M CB 1.909 34.513 32.600 0.007 0.000 1.551 9 M HN 0.627 nan 8.290 nan 0.000 0.477 10 M N 2.128 121.854 119.600 0.209 0.000 2.267 10 M HA 0.315 4.795 4.480 0.000 0.000 0.289 10 M C -1.444 175.070 176.300 0.356 0.000 1.043 10 M CA -0.397 55.049 55.300 0.244 0.000 0.928 10 M CB 2.511 35.197 32.600 0.144 0.000 1.613 10 M HN 0.933 nan 8.290 nan 0.000 0.450 11 Q N 3.314 123.311 119.800 0.328 0.000 2.344 11 Q HA 0.064 4.404 4.340 0.000 0.000 0.253 11 Q C -1.489 174.555 176.000 0.072 0.000 1.050 11 Q CA -0.032 55.796 55.803 0.041 0.000 0.912 11 Q CB 0.468 29.048 28.738 -0.263 0.000 1.258 11 Q HN 0.792 nan 8.270 nan 0.000 0.443 12 Y N 7.210 127.567 120.300 0.097 0.000 2.994 12 Y HA 0.179 4.729 4.550 0.000 0.000 0.393 12 Y C -1.317 174.714 175.900 0.219 0.000 1.118 12 Y CA -0.402 57.856 58.100 0.264 0.000 1.906 12 Y CB -0.361 38.252 38.460 0.255 0.000 1.925 12 Y HN 0.538 nan 8.280 nan 0.000 0.446 13 F N -1.212 118.475 119.950 -0.437 0.000 2.829 13 F HA 0.553 5.080 4.527 0.000 0.000 0.319 13 F C -1.811 173.746 175.800 -0.405 0.000 1.153 13 F CA -1.727 55.830 58.000 -0.738 0.000 0.912 13 F CB 0.753 39.354 39.000 -0.666 0.000 1.292 13 F HN -0.006 nan 8.300 nan 0.000 0.447 14 E N 0.847 120.884 120.200 -0.272 0.000 2.429 14 E HA 0.258 4.608 4.350 0.000 0.000 0.276 14 E C -0.492 176.200 176.600 0.153 0.000 0.953 14 E CA -0.974 55.439 56.400 0.023 0.000 0.787 14 E CB 1.538 31.234 29.700 -0.007 0.000 1.307 14 E HN 0.805 nan 8.360 nan 0.000 0.458 15 W N 1.073 122.421 121.300 0.080 0.000 2.358 15 W HA -0.130 4.530 4.660 0.000 0.000 0.303 15 W C -0.104 176.224 176.519 -0.317 0.000 1.208 15 W CA 1.204 58.480 57.345 -0.116 0.000 1.274 15 W CB 0.078 29.370 29.460 -0.280 0.000 1.138 15 W HN 0.679 nan 8.180 nan 0.000 0.515 16 Y N 0.836 121.264 120.300 0.214 0.000 2.537 16 Y HA 0.210 4.760 4.550 0.000 0.000 0.303 16 Y C 0.987 176.890 175.900 0.005 0.000 1.176 16 Y CA -0.099 58.077 58.100 0.127 0.000 1.273 16 Y CB -1.007 37.594 38.460 0.235 0.000 1.110 16 Y HN -0.393 nan 8.280 nan 0.000 0.518 17 L N 2.103 123.309 121.223 -0.028 0.000 2.506 17 L HA 0.051 4.391 4.340 0.000 0.000 0.281 17 L C -1.972 174.833 176.870 -0.109 0.000 1.228 17 L CA -1.725 53.050 54.840 -0.108 0.000 0.850 17 L CB 0.192 42.065 42.059 -0.310 0.000 1.110 17 L HN 0.013 nan 8.230 nan 0.000 0.496 18 P HA 0.021 nan 4.420 nan 0.000 0.271 18 P C -0.763 176.445 177.300 -0.153 0.000 1.218 18 P CA -0.281 62.773 63.100 -0.077 0.000 0.780 18 P CB 0.395 32.072 31.700 -0.038 0.000 0.901 19 N N 2.328 120.935 118.700 -0.155 0.000 3.245 19 N HA -0.006 4.734 4.740 0.000 0.000 0.296 19 N C -0.159 175.259 175.510 -0.153 0.000 1.254 19 N CA -0.099 52.825 53.050 -0.210 0.000 1.190 19 N CB -0.652 37.717 38.487 -0.196 0.000 1.460 19 N HN 0.239 nan 8.380 nan 0.000 0.538 20 D N 0.090 120.408 120.400 -0.137 0.000 2.433 20 D HA 0.165 4.806 4.640 0.000 0.000 0.211 20 D C 1.120 177.371 176.300 -0.082 0.000 1.114 20 D CA 0.015 53.964 54.000 -0.086 0.000 0.837 20 D CB -0.484 40.286 40.800 -0.050 0.000 0.984 20 D HN 0.253 nan 8.370 nan 0.000 0.505 21 G N 1.008 109.729 108.800 -0.132 0.000 2.283 21 G HA2 -0.386 3.574 3.960 0.000 0.000 0.280 21 G HA3 -0.386 3.574 3.960 0.000 0.000 0.280 21 G C 0.609 175.485 174.900 -0.040 0.000 1.029 21 G CA 0.598 45.633 45.100 -0.108 0.000 0.840 21 G HN 0.505 nan 8.290 nan 0.000 0.505 22 N N -1.389 117.296 118.700 -0.025 0.000 2.197 22 N HA 0.198 4.938 4.740 0.000 0.000 0.228 22 N C 1.233 176.782 175.510 0.066 0.000 1.212 22 N CA 0.261 53.329 53.050 0.030 0.000 0.883 22 N CB 0.154 38.657 38.487 0.027 0.000 1.107 22 N HN 0.419 nan 8.380 nan 0.000 0.519 23 H N -1.038 117.971 119.070 -0.102 0.000 2.363 23 H HA 0.046 4.602 4.556 0.000 0.000 0.301 23 H C 1.065 176.418 175.328 0.042 0.000 1.074 23 H CA 1.912 57.906 56.048 -0.089 0.000 1.354 23 H CB -0.002 29.633 29.762 -0.211 0.000 1.397 23 H HN 0.338 nan 8.280 nan 0.000 0.516 24 W N 0.588 121.937 121.300 0.082 0.000 2.342 24 W HA -0.184 4.476 4.660 0.000 0.000 0.297 24 W C 2.033 178.521 176.519 -0.050 0.000 1.213 24 W CA 0.374 57.709 57.345 -0.016 0.000 1.251 24 W CB -0.086 29.383 29.460 0.015 0.000 1.136 24 W HN 0.209 nan 8.180 nan 0.000 0.526 25 N N 0.300 119.122 118.700 0.204 0.000 2.188 25 N HA -0.095 4.645 4.740 0.000 0.000 0.184 25 N C 1.585 177.128 175.510 0.056 0.000 1.018 25 N CA 1.142 54.254 53.050 0.105 0.000 0.858 25 N CB -0.563 37.973 38.487 0.082 0.000 0.989 25 N HN 0.255 nan 8.380 nan 0.000 0.426 26 R N 0.279 120.804 120.500 0.041 0.000 2.073 26 R HA -0.054 4.286 4.340 0.000 0.000 0.234 26 R C 2.032 178.358 176.300 0.043 0.000 1.134 26 R CA 0.737 56.860 56.100 0.039 0.000 0.952 26 R CB -0.470 29.857 30.300 0.045 0.000 0.850 26 R HN 0.126 nan 8.270 nan 0.000 0.433 27 L N 1.791 123.004 121.223 -0.016 0.000 2.046 27 L HA -0.176 4.164 4.340 0.000 0.000 0.208 27 L C 1.936 178.715 176.870 -0.152 0.000 1.077 27 L CA 1.755 56.460 54.840 -0.225 0.000 0.747 27 L CB -0.882 41.017 42.059 -0.267 0.000 0.896 27 L HN 0.136 nan 8.230 nan 0.000 0.432 28 N N -0.157 118.512 118.700 -0.052 0.000 2.018 28 N HA -0.233 4.507 4.740 0.000 0.000 0.196 28 N C 1.891 177.376 175.510 -0.041 0.000 1.043 28 N CA 2.158 55.182 53.050 -0.044 0.000 0.856 28 N CB -0.321 38.163 38.487 -0.005 0.000 1.042 28 N HN 0.636 nan 8.380 nan 0.000 0.423 29 S N -1.503 114.187 115.700 -0.017 0.000 2.561 29 S HA -0.012 4.458 4.470 0.000 0.000 0.225 29 S C 1.248 175.848 174.600 0.000 0.000 0.977 29 S CA 0.682 58.877 58.200 -0.007 0.000 0.926 29 S CB 0.155 63.358 63.200 0.005 0.000 0.769 29 S HN 0.244 nan 8.310 nan 0.000 0.533 30 D N 1.025 121.423 120.400 -0.004 0.000 2.349 30 D HA 0.419 5.059 4.640 0.000 0.000 0.214 30 D C 1.839 178.133 176.300 -0.009 0.000 1.063 30 D CA 0.578 54.599 54.000 0.034 0.000 0.847 30 D CB 0.026 40.900 40.800 0.123 0.000 0.933 30 D HN 0.374 nan 8.370 nan 0.000 0.513 31 A N 0.276 123.060 122.820 -0.061 0.000 1.873 31 A HA -0.235 4.085 4.320 0.000 0.000 0.218 31 A C 2.334 179.893 177.584 -0.042 0.000 1.193 31 A CA 2.643 54.634 52.037 -0.077 0.000 0.629 31 A CB -1.049 17.900 19.000 -0.085 0.000 0.826 31 A HN 0.371 nan 8.150 nan 0.000 0.447 32 S N 0.353 116.039 115.700 -0.024 0.000 2.368 32 S HA -0.242 4.228 4.470 0.000 0.000 0.225 32 S C 1.789 176.391 174.600 0.004 0.000 1.030 32 S CA 1.620 59.812 58.200 -0.013 0.000 0.999 32 S CB -0.797 62.398 63.200 -0.009 0.000 0.844 32 S HN 0.670 nan 8.310 nan 0.000 0.459 33 N N 1.927 120.642 118.700 0.025 0.000 2.084 33 N HA -0.020 4.721 4.740 0.000 0.000 0.190 33 N C 1.685 177.224 175.510 0.049 0.000 1.030 33 N CA 1.720 54.802 53.050 0.055 0.000 0.849 33 N CB -0.646 37.901 38.487 0.101 0.000 1.012 33 N HN 0.495 nan 8.380 nan 0.000 0.423 34 L N -0.279 120.964 121.223 0.033 0.000 2.042 34 L HA -0.159 4.181 4.340 0.000 0.000 0.210 34 L C 2.431 179.288 176.870 -0.023 0.000 1.076 34 L CA 1.267 56.103 54.840 -0.007 0.000 0.749 34 L CB -0.526 41.512 42.059 -0.034 0.000 0.893 34 L HN 0.214 nan 8.230 nan 0.000 0.432 35 K N 0.668 121.055 120.400 -0.023 0.000 2.057 35 K HA -0.160 4.160 4.320 0.000 0.000 0.207 35 K C 2.288 178.882 176.600 -0.010 0.000 1.049 35 K CA 1.825 58.098 56.287 -0.023 0.000 0.931 35 K CB -0.372 32.111 32.500 -0.028 0.000 0.714 35 K HN 0.349 nan 8.250 nan 0.000 0.440 36 S N -0.260 115.440 115.700 -0.001 0.000 2.423 36 S HA -0.049 4.421 4.470 0.000 0.000 0.231 36 S C 1.440 176.047 174.600 0.012 0.000 1.014 36 S CA 0.648 58.852 58.200 0.006 0.000 0.965 36 S CB -0.180 63.028 63.200 0.013 0.000 0.785 36 S HN 0.128 nan 8.310 nan 0.000 0.495 37 K N 0.774 121.182 120.400 0.015 0.000 2.426 37 K HA 0.275 4.595 4.320 0.000 0.000 0.193 37 K C 1.449 178.049 176.600 0.001 0.000 1.028 37 K CA 0.697 56.995 56.287 0.019 0.000 1.047 37 K CB -0.084 32.439 32.500 0.038 0.000 0.821 37 K HN 0.631 nan 8.250 nan 0.000 0.513 38 G N 0.967 109.764 108.800 -0.005 0.000 2.184 38 G HA2 -0.163 3.797 3.960 0.000 0.000 0.206 38 G HA3 -0.163 3.797 3.960 0.000 0.000 0.206 38 G C 0.006 174.904 174.900 -0.003 0.000 0.995 38 G CA -0.531 44.569 45.100 0.000 0.000 0.651 38 G HN 0.114 nan 8.290 nan 0.000 0.511 39 I N 2.861 123.416 120.570 -0.026 0.000 2.471 39 I HA 0.285 4.455 4.170 0.000 0.000 0.286 39 I C 1.768 177.874 176.117 -0.018 0.000 1.079 39 I CA 1.279 62.564 61.300 -0.024 0.000 1.398 39 I CB 0.730 38.695 38.000 -0.058 0.000 1.403 39 I HN 0.307 nan 8.210 nan 0.000 0.530 40 T N 1.827 116.382 114.554 0.003 0.000 2.985 40 T HA 0.547 4.897 4.350 0.000 0.000 0.254 40 T C 0.424 175.088 174.700 -0.061 0.000 1.021 40 T CA -0.076 62.015 62.100 -0.016 0.000 0.957 40 T CB 0.549 69.422 68.868 0.007 0.000 1.047 40 T HN 0.654 nan 8.240 nan 0.000 0.511 41 A N 0.538 123.314 122.820 -0.073 0.000 2.547 41 A HA 0.715 5.035 4.320 0.000 0.000 0.297 41 A C -1.441 176.041 177.584 -0.170 0.000 1.056 41 A CA -0.673 51.215 52.037 -0.248 0.000 0.688 41 A CB 1.924 20.684 19.000 -0.399 0.000 1.282 41 A HN 0.224 nan 8.150 nan 0.000 0.400 42 V N 1.890 121.680 119.914 -0.207 0.000 2.487 42 V HA 0.493 4.614 4.120 0.000 0.000 0.298 42 V C -1.054 175.158 176.094 0.197 0.000 1.028 42 V CA -0.365 61.950 62.300 0.025 0.000 0.860 42 V CB 1.719 33.532 31.823 -0.016 0.000 0.991 42 V HN 0.959 nan 8.190 nan 0.000 0.427 43 W N 8.504 129.943 121.300 0.232 0.000 2.308 43 W HA 0.662 5.322 4.660 0.000 0.000 0.311 43 W C -0.303 176.474 176.519 0.430 0.000 1.088 43 W CA -1.814 55.767 57.345 0.394 0.000 1.309 43 W CB 0.541 30.306 29.460 0.508 0.000 1.229 43 W HN 0.617 nan 8.180 nan 0.000 0.427 44 I N 6.446 127.362 120.570 0.577 0.000 2.577 44 I HA 0.588 4.758 4.170 0.000 0.000 0.300 44 I C -1.824 174.320 176.117 0.045 0.000 0.990 44 I CA -2.539 58.951 61.300 0.316 0.000 1.283 44 I CB 1.133 39.310 38.000 0.294 0.000 1.411 44 I HN 0.221 nan 8.210 nan 0.000 0.515 45 P HA 0.239 nan 4.420 nan 0.000 0.273 45 P C -2.613 174.233 177.300 -0.756 0.000 1.250 45 P CA -1.368 60.816 63.100 -1.527 0.000 0.793 45 P CB -0.663 29.575 31.700 -2.436 0.000 1.011 46 P HA -0.068 nan 4.420 nan 0.000 0.261 46 P C 0.361 177.138 177.300 -0.871 0.000 1.173 46 P CA 0.890 63.273 63.100 -1.195 0.000 0.760 46 P CB -0.125 30.786 31.700 -1.314 0.000 0.783 47 A N 3.444 125.833 122.820 -0.720 0.000 2.267 47 A HA 0.126 4.446 4.320 0.000 0.000 0.213 47 A C 0.229 177.857 177.584 0.073 0.000 1.192 47 A CA -0.089 51.956 52.037 0.014 0.000 0.851 47 A CB -0.575 18.548 19.000 0.205 0.000 0.881 47 A HN 0.676 nan 8.150 nan 0.000 0.494 48 W N -0.806 120.632 121.300 0.231 0.000 2.260 48 W HA 0.701 5.361 4.660 0.000 0.000 0.366 48 W C -0.011 176.589 176.519 0.136 0.000 1.315 48 W CA -1.886 55.564 57.345 0.174 0.000 1.458 48 W CB 0.211 29.704 29.460 0.055 0.000 1.255 48 W HN -0.147 nan 8.180 nan 0.000 0.671 49 K N 1.159 121.842 120.400 0.472 0.000 2.379 49 K HA 0.426 4.746 4.320 0.000 0.000 0.284 49 K C 0.246 177.091 176.600 0.408 0.000 1.044 49 K CA 0.291 56.800 56.287 0.369 0.000 0.974 49 K CB 0.424 33.185 32.500 0.435 0.000 0.962 49 K HN 0.708 nan 8.250 nan 0.000 0.474 50 G N 1.948 110.877 108.800 0.215 0.000 2.531 50 G HA2 0.434 4.394 3.960 0.000 0.000 0.281 50 G HA3 0.434 4.394 3.960 0.000 0.000 0.281 50 G C 0.414 175.371 174.900 0.094 0.000 1.382 50 G CA -0.170 45.027 45.100 0.162 0.000 1.045 50 G HN 0.694 nan 8.290 nan 0.000 0.533 51 A N -1.196 121.631 122.820 0.011 0.000 2.172 51 A HA 0.383 4.703 4.320 0.000 0.000 0.216 51 A C 1.369 178.883 177.584 -0.117 0.000 1.154 51 A CA 1.712 53.702 52.037 -0.079 0.000 0.701 51 A CB -0.621 18.336 19.000 -0.070 0.000 0.789 51 A HN 1.694 nan 8.150 nan 0.000 0.465 52 S N -3.429 112.219 115.700 -0.086 0.000 2.643 52 S HA 0.341 4.811 4.470 0.000 0.000 0.270 52 S C 0.307 174.845 174.600 -0.102 0.000 1.166 52 S CA 0.081 58.222 58.200 -0.098 0.000 0.815 52 S CB 0.836 63.979 63.200 -0.095 0.000 1.139 52 S HN 0.195 nan 8.310 nan 0.000 0.472 53 Q N 0.876 120.612 119.800 -0.106 0.000 2.124 53 Q HA -0.163 4.177 4.340 0.000 0.000 0.202 53 Q C 1.114 176.987 176.000 -0.212 0.000 0.977 53 Q CA 2.203 57.926 55.803 -0.133 0.000 0.850 53 Q CB -0.361 28.312 28.738 -0.108 0.000 0.901 53 Q HN 0.811 nan 8.270 nan 0.000 0.429 54 N N 0.206 118.788 118.700 -0.197 0.000 2.370 54 N HA -0.055 4.685 4.740 0.000 0.000 0.198 54 N C -0.448 174.883 175.510 -0.299 0.000 1.156 54 N CA 0.142 53.039 53.050 -0.255 0.000 0.839 54 N CB -0.068 38.310 38.487 -0.182 0.000 0.989 54 N HN 0.119 nan 8.380 nan 0.000 0.468 55 D N 0.329 120.572 120.400 -0.262 0.000 2.389 55 D HA 0.003 4.643 4.640 0.000 0.000 0.247 55 D C 1.027 177.081 176.300 -0.410 0.000 1.128 55 D CA -0.173 53.678 54.000 -0.248 0.000 0.884 55 D CB 1.838 42.562 40.800 -0.128 0.000 1.194 55 D HN -0.161 nan 8.370 nan 0.000 0.441 56 V N 3.362 122.971 119.914 -0.509 0.000 2.720 56 V HA -0.022 4.098 4.120 0.000 0.000 0.256 56 V C 1.839 177.639 176.094 -0.489 0.000 1.082 56 V CA 1.816 63.746 62.300 -0.616 0.000 1.101 56 V CB -0.336 30.890 31.823 -0.996 0.000 0.693 56 V HN 0.951 nan 8.190 nan 0.000 0.479 57 G N -2.006 106.566 108.800 -0.379 0.000 2.421 57 G HA2 -0.243 3.717 3.960 0.000 0.000 0.188 57 G HA3 -0.243 3.717 3.960 0.000 0.000 0.188 57 G C 0.514 175.338 174.900 -0.127 0.000 1.001 57 G CA 0.137 45.014 45.100 -0.373 0.000 0.693 57 G HN 0.385 nan 8.290 nan 0.000 0.479 58 Y N 1.468 121.886 120.300 0.197 0.000 2.561 58 Y HA 0.331 4.881 4.550 0.000 0.000 0.291 58 Y C 2.359 178.468 175.900 0.348 0.000 1.141 58 Y CA 0.777 59.079 58.100 0.337 0.000 1.303 58 Y CB 0.124 38.813 38.460 0.381 0.000 1.015 58 Y HN 0.328 nan 8.280 nan 0.000 0.547 59 G N 0.440 109.419 108.800 0.299 0.000 3.717 59 G HA2 0.391 4.351 3.960 0.000 0.000 0.258 59 G HA3 0.391 4.351 3.960 0.000 0.000 0.258 59 G C 0.072 174.965 174.900 -0.011 0.000 1.088 59 G CA -0.194 44.937 45.100 0.051 0.000 1.737 59 G HN 0.328 nan 8.290 nan 0.000 0.648 60 A N 0.698 123.560 122.820 0.070 0.000 2.540 60 A HA 0.193 4.513 4.320 0.000 0.000 0.264 60 A C 0.653 178.176 177.584 -0.101 0.000 1.080 60 A CA 0.079 52.103 52.037 -0.021 0.000 0.776 60 A CB 0.051 18.821 19.000 -0.383 0.000 1.011 60 A HN 0.729 nan 8.150 nan 0.000 0.514 61 Y N 2.121 122.393 120.300 -0.046 0.000 2.284 61 Y HA 0.228 4.778 4.550 0.000 0.000 0.293 61 Y C 0.241 176.198 175.900 0.095 0.000 1.140 61 Y CA 1.068 59.220 58.100 0.086 0.000 1.153 61 Y CB 0.582 39.143 38.460 0.167 0.000 1.114 61 Y HN 0.546 nan 8.280 nan 0.000 0.521 62 D N 0.188 120.466 120.400 -0.204 0.000 2.473 62 D HA 0.222 4.862 4.640 0.000 0.000 0.253 62 D C 0.231 176.349 176.300 -0.303 0.000 1.233 62 D CA -0.163 53.584 54.000 -0.421 0.000 0.908 62 D CB 0.867 41.438 40.800 -0.381 0.000 1.170 62 D HN 0.330 nan 8.370 nan 0.000 0.558 63 L N 2.622 123.449 121.223 -0.661 0.000 2.456 63 L HA -0.073 4.267 4.340 0.000 0.000 0.224 63 L C 0.861 177.602 176.870 -0.215 0.000 1.148 63 L CA 0.749 55.129 54.840 -0.767 0.000 0.825 63 L CB -0.240 40.709 42.059 -1.850 0.000 0.937 63 L HN 0.477 nan 8.230 nan 0.000 0.450 64 Y N -1.554 118.656 120.300 -0.151 0.000 2.458 64 Y HA 0.106 4.657 4.550 0.000 0.000 0.256 64 Y C 0.622 176.680 175.900 0.262 0.000 1.159 64 Y CA -0.514 57.513 58.100 -0.121 0.000 1.261 64 Y CB 0.258 38.445 38.460 -0.455 0.000 1.119 64 Y HN -0.002 nan 8.280 nan 0.000 0.524 65 D N 0.686 121.348 120.400 0.435 0.000 2.485 65 D HA 0.219 4.860 4.640 0.000 0.000 0.229 65 D C -0.319 176.279 176.300 0.498 0.000 1.101 65 D CA -0.091 54.261 54.000 0.587 0.000 0.906 65 D CB 0.256 41.370 40.800 0.524 0.000 1.019 65 D HN 0.198 nan 8.370 nan 0.000 0.516 66 L N 2.962 124.469 121.223 0.473 0.000 2.968 66 L HA 0.366 4.706 4.340 0.000 0.000 0.235 66 L C 1.287 178.323 176.870 0.277 0.000 1.323 66 L CA -0.284 54.785 54.840 0.382 0.000 1.159 66 L CB -0.213 42.054 42.059 0.347 0.000 1.523 66 L HN 0.651 nan 8.230 nan 0.000 0.468 67 G N 0.894 109.852 108.800 0.263 0.000 2.204 67 G HA2 -0.273 3.687 3.960 0.000 0.000 0.244 67 G HA3 -0.273 3.687 3.960 0.000 0.000 0.244 67 G C 0.443 175.400 174.900 0.095 0.000 1.062 67 G CA 0.530 45.745 45.100 0.193 0.000 0.798 67 G HN 0.631 nan 8.290 nan 0.000 0.496 68 E N -1.412 118.799 120.200 0.019 0.000 2.421 68 E HA 0.401 4.751 4.350 0.000 0.000 0.209 68 E C 0.216 176.529 176.600 -0.478 0.000 0.871 68 E CA -0.272 55.955 56.400 -0.288 0.000 1.064 68 E CB 0.431 29.833 29.700 -0.496 0.000 1.075 68 E HN 0.370 nan 8.360 nan 0.000 0.513 69 F N 0.980 121.044 119.950 0.191 0.000 2.523 69 F HA 0.357 4.884 4.527 0.000 0.000 0.329 69 F C 0.345 176.236 175.800 0.151 0.000 1.061 69 F CA -1.299 56.801 58.000 0.167 0.000 0.967 69 F CB 0.880 39.992 39.000 0.187 0.000 1.218 69 F HN -0.188 nan 8.300 nan 0.000 0.480 70 N N 2.627 121.520 118.700 0.321 0.000 2.605 70 N HA 0.110 4.850 4.740 0.000 0.000 0.258 70 N C -1.317 174.322 175.510 0.215 0.000 1.156 70 N CA 0.152 53.327 53.050 0.208 0.000 1.008 70 N CB -0.223 38.357 38.487 0.155 0.000 1.354 70 N HN 0.635 nan 8.380 nan 0.000 0.509 71 Q N 1.747 121.677 119.800 0.217 0.000 2.359 71 Q HA 0.317 4.658 4.340 0.000 0.000 0.274 71 Q C -0.295 175.744 176.000 0.066 0.000 1.074 71 Q CA -0.921 54.997 55.803 0.192 0.000 0.810 71 Q CB 1.780 30.750 28.738 0.387 0.000 1.342 71 Q HN 0.170 nan 8.270 nan 0.000 0.427 72 K N 0.069 120.433 120.400 -0.060 0.000 3.192 72 K HA -0.209 4.111 4.320 0.000 0.000 0.278 72 K C 0.446 177.008 176.600 -0.063 0.000 1.164 72 K CA 1.031 57.236 56.287 -0.136 0.000 0.816 72 K CB -1.911 30.470 32.500 -0.199 0.000 1.256 72 K HN 1.257 nan 8.250 nan 0.000 0.497 73 G N -0.870 107.916 108.800 -0.023 0.000 2.143 73 G HA2 -0.321 3.639 3.960 0.000 0.000 0.248 73 G HA3 -0.321 3.639 3.960 0.000 0.000 0.248 73 G C 0.067 174.967 174.900 0.001 0.000 0.991 73 G CA 1.233 46.326 45.100 -0.011 0.000 0.689 73 G HN 0.856 nan 8.290 nan 0.000 0.522 74 T N -2.598 111.969 114.554 0.023 0.000 2.886 74 T HA 0.494 4.844 4.350 0.000 0.000 0.330 74 T C 0.975 175.717 174.700 0.070 0.000 1.488 74 T CA 0.397 62.514 62.100 0.029 0.000 1.054 74 T CB 1.627 70.495 68.868 -0.000 0.000 1.348 74 T HN 0.490 nan 8.240 nan 0.000 0.489 75 V N 3.110 123.063 119.914 0.066 0.000 2.436 75 V HA 0.207 4.327 4.120 0.000 0.000 0.240 75 V C 1.506 177.653 176.094 0.089 0.000 1.040 75 V CA 1.129 63.483 62.300 0.089 0.000 1.052 75 V CB -0.512 31.349 31.823 0.064 0.000 0.707 75 V HN 0.864 nan 8.190 nan 0.000 0.469 76 R N 1.715 122.251 120.500 0.060 0.000 2.707 76 R HA 0.295 4.635 4.340 0.000 0.000 0.270 76 R C 0.337 176.658 176.300 0.034 0.000 1.083 76 R CA 0.284 56.422 56.100 0.064 0.000 1.182 76 R CB 0.224 30.547 30.300 0.038 0.000 1.084 76 R HN 0.397 nan 8.270 nan 0.000 0.528 77 T N -1.752 112.825 114.554 0.038 0.000 2.867 77 T HA 0.127 4.477 4.350 0.000 0.000 0.286 77 T C 1.045 175.592 174.700 -0.254 0.000 1.022 77 T CA -0.659 61.404 62.100 -0.063 0.000 0.933 77 T CB 0.840 69.716 68.868 0.013 0.000 1.280 77 T HN 0.777 nan 8.240 nan 0.000 0.566 78 K N -0.707 119.373 120.400 -0.533 0.000 2.147 78 K HA -0.137 4.183 4.320 0.000 0.000 0.205 78 K C 1.438 177.544 176.600 -0.823 0.000 1.049 78 K CA 1.388 57.223 56.287 -0.752 0.000 0.936 78 K CB -0.331 31.506 32.500 -1.104 0.000 0.722 78 K HN 0.707 nan 8.250 nan 0.000 0.446 79 Y N -0.585 119.423 120.300 -0.487 0.000 2.517 79 Y HA 0.270 4.820 4.550 0.000 0.000 0.281 79 Y C 1.221 176.720 175.900 -0.669 0.000 1.125 79 Y CA 0.354 57.978 58.100 -0.793 0.000 1.283 79 Y CB 0.677 38.190 38.460 -1.579 0.000 1.042 79 Y HN 0.250 nan 8.280 nan 0.000 0.547 80 G N -0.530 108.183 108.800 -0.146 0.000 2.325 80 G HA2 0.179 4.139 3.960 0.000 0.000 0.285 80 G HA3 0.179 4.139 3.960 0.000 0.000 0.285 80 G C -0.637 174.455 174.900 0.320 0.000 1.303 80 G CA -0.630 44.559 45.100 0.149 0.000 0.970 80 G HN 0.190 nan 8.290 nan 0.000 0.490 81 T N -1.919 112.812 114.554 0.296 0.000 2.881 81 T HA 0.547 4.897 4.350 0.000 0.000 0.278 81 T C 1.507 176.314 174.700 0.180 0.000 0.982 81 T CA 0.527 62.746 62.100 0.198 0.000 0.989 81 T CB 1.906 70.838 68.868 0.107 0.000 1.058 81 T HN 0.906 nan 8.240 nan 0.000 0.529 82 R N 0.322 120.877 120.500 0.091 0.000 2.081 82 R HA -0.124 4.216 4.340 0.000 0.000 0.235 82 R C 2.501 178.773 176.300 -0.047 0.000 1.131 82 R CA 1.991 58.101 56.100 0.017 0.000 0.960 82 R CB -0.735 29.582 30.300 0.028 0.000 0.856 82 R HN 0.833 nan 8.270 nan 0.000 0.436 83 S N 0.088 115.780 115.700 -0.012 0.000 2.382 83 S HA -0.181 4.289 4.470 0.000 0.000 0.228 83 S C 1.876 176.454 174.600 -0.036 0.000 1.027 83 S CA 1.065 59.248 58.200 -0.027 0.000 0.991 83 S CB -0.222 62.975 63.200 -0.004 0.000 0.823 83 S HN 0.495 nan 8.310 nan 0.000 0.469 84 Q N 0.344 120.153 119.800 0.014 0.000 2.119 84 Q HA 0.050 4.390 4.340 0.000 0.000 0.201 84 Q C 2.246 178.201 176.000 -0.074 0.000 0.972 84 Q CA 1.245 57.081 55.803 0.054 0.000 0.847 84 Q CB -0.402 28.461 28.738 0.208 0.000 0.903 84 Q HN 0.558 nan 8.270 nan 0.000 0.433 85 L N 0.938 121.957 121.223 -0.339 0.000 2.027 85 L HA -0.196 4.144 4.340 0.000 0.000 0.206 85 L C 2.123 178.698 176.870 -0.491 0.000 1.074 85 L CA 1.812 56.122 54.840 -0.883 0.000 0.745 85 L CB -0.473 40.888 42.059 -1.162 0.000 0.898 85 L HN 0.129 nan 8.230 nan 0.000 0.433 86 Q N -0.134 119.483 119.800 -0.306 0.000 2.124 86 Q HA -0.152 4.188 4.340 0.000 0.000 0.202 86 Q C 2.236 178.133 176.000 -0.171 0.000 0.977 86 Q CA 1.631 57.302 55.803 -0.221 0.000 0.850 86 Q CB -0.481 28.165 28.738 -0.153 0.000 0.901 86 Q HN 0.710 nan 8.270 nan 0.000 0.429 87 A N 1.232 123.973 122.820 -0.133 0.000 1.930 87 A HA -0.009 4.311 4.320 0.000 0.000 0.217 87 A C 2.348 179.873 177.584 -0.098 0.000 1.175 87 A CA 1.501 53.485 52.037 -0.089 0.000 0.627 87 A CB -0.502 18.470 19.000 -0.048 0.000 0.815 87 A HN 0.366 nan 8.150 nan 0.000 0.443 88 A N -0.509 122.238 122.820 -0.121 0.000 1.898 88 A HA 0.045 4.365 4.320 0.000 0.000 0.216 88 A C 2.207 179.700 177.584 -0.152 0.000 1.181 88 A CA 1.641 53.610 52.037 -0.112 0.000 0.620 88 A CB -0.871 18.080 19.000 -0.082 0.000 0.819 88 A HN 0.346 nan 8.150 nan 0.000 0.442 89 V N -0.209 119.584 119.914 -0.203 0.000 2.295 89 V HA -0.244 3.876 4.120 0.000 0.000 0.246 89 V C 2.749 178.755 176.094 -0.148 0.000 1.049 89 V CA 2.532 64.716 62.300 -0.193 0.000 1.024 89 V CB -1.311 30.375 31.823 -0.228 0.000 0.648 89 V HN 0.594 nan 8.190 nan 0.000 0.447 90 T N -0.701 113.774 114.554 -0.132 0.000 2.720 90 T HA -0.227 4.123 4.350 0.000 0.000 0.268 90 T C 2.146 176.791 174.700 -0.091 0.000 1.037 90 T CA 1.931 63.968 62.100 -0.105 0.000 1.144 90 T CB -0.336 68.478 68.868 -0.090 0.000 0.864 90 T HN 0.513 nan 8.240 nan 0.000 0.444 91 S N 0.535 116.181 115.700 -0.090 0.000 2.368 91 S HA -0.021 4.449 4.470 0.000 0.000 0.225 91 S C 2.007 176.555 174.600 -0.087 0.000 1.030 91 S CA 0.907 59.060 58.200 -0.078 0.000 0.999 91 S CB -0.454 62.702 63.200 -0.073 0.000 0.844 91 S HN 0.429 nan 8.310 nan 0.000 0.459 92 L N 0.921 122.080 121.223 -0.107 0.000 2.056 92 L HA -0.068 4.272 4.340 0.000 0.000 0.207 92 L C 2.776 179.586 176.870 -0.100 0.000 1.078 92 L CA 1.145 55.917 54.840 -0.113 0.000 0.749 92 L CB -0.446 41.532 42.059 -0.135 0.000 0.901 92 L HN 0.204 nan 8.230 nan 0.000 0.433 93 K N 0.029 120.369 120.400 -0.101 0.000 2.097 93 K HA -0.120 4.200 4.320 0.000 0.000 0.206 93 K C 1.757 178.312 176.600 -0.075 0.000 1.049 93 K CA 1.094 57.327 56.287 -0.090 0.000 0.933 93 K CB -0.561 31.882 32.500 -0.094 0.000 0.717 93 K HN 0.321 nan 8.250 nan 0.000 0.442 94 N N 1.206 119.864 118.700 -0.070 0.000 2.453 94 N HA -0.082 4.658 4.740 0.000 0.000 0.183 94 N C 0.822 176.301 175.510 -0.053 0.000 1.041 94 N CA 0.622 53.637 53.050 -0.058 0.000 0.900 94 N CB -0.083 38.372 38.487 -0.053 0.000 0.961 94 N HN 0.238 nan 8.380 nan 0.000 0.443 95 N N -0.048 118.617 118.700 -0.058 0.000 2.238 95 N HA 0.093 4.833 4.740 0.000 0.000 0.222 95 N C 0.449 175.927 175.510 -0.053 0.000 1.133 95 N CA 0.220 53.239 53.050 -0.052 0.000 0.854 95 N CB 0.846 39.301 38.487 -0.053 0.000 1.041 95 N HN 0.162 nan 8.380 nan 0.000 0.510 96 G N 1.518 110.283 108.800 -0.058 0.000 2.198 96 G HA2 -0.269 3.692 3.960 0.000 0.000 0.260 96 G HA3 -0.269 3.692 3.960 0.000 0.000 0.260 96 G C -0.025 174.836 174.900 -0.066 0.000 1.025 96 G CA 0.025 45.091 45.100 -0.057 0.000 0.769 96 G HN 0.340 nan 8.290 nan 0.000 0.507 97 I N 0.282 120.804 120.570 -0.081 0.000 2.377 97 I HA 0.284 4.454 4.170 0.000 0.000 0.293 97 I C 0.757 176.797 176.117 -0.128 0.000 0.987 97 I CA -0.770 60.469 61.300 -0.101 0.000 1.185 97 I CB 1.429 39.365 38.000 -0.107 0.000 1.341 97 I HN 0.132 nan 8.210 nan 0.000 0.455 98 Q N 4.132 123.835 119.800 -0.161 0.000 2.354 98 Q HA 0.440 4.780 4.340 0.000 0.000 0.244 98 Q C -0.985 174.835 176.000 -0.299 0.000 0.969 98 Q CA -0.490 55.193 55.803 -0.200 0.000 0.885 98 Q CB 2.113 30.738 28.738 -0.189 0.000 1.241 98 Q HN 0.397 nan 8.270 nan 0.000 0.461 99 V N 2.807 122.592 119.914 -0.215 0.000 2.409 99 V HA 0.278 4.398 4.120 0.000 0.000 0.291 99 V C -1.284 174.828 176.094 0.029 0.000 1.020 99 V CA -0.805 61.403 62.300 -0.153 0.000 0.848 99 V CB 0.625 32.379 31.823 -0.115 0.000 0.990 99 V HN 0.565 nan 8.190 nan 0.000 0.430 100 Y N 2.529 122.904 120.300 0.124 0.000 2.328 100 Y HA 0.730 5.280 4.550 0.000 0.000 0.337 100 Y C 0.773 176.842 175.900 0.282 0.000 0.966 100 Y CA -1.373 56.828 58.100 0.169 0.000 1.136 100 Y CB 1.814 40.433 38.460 0.264 0.000 1.170 100 Y HN 0.696 nan 8.280 nan 0.000 0.470 101 G N 2.211 111.270 108.800 0.431 0.000 2.389 101 G HA2 0.224 4.184 3.960 0.000 0.000 0.317 101 G HA3 0.224 4.184 3.960 0.000 0.000 0.317 101 G C -0.604 174.735 174.900 0.731 0.000 1.137 101 G CA -0.509 44.912 45.100 0.536 0.000 0.870 101 G HN 0.512 nan 8.290 nan 0.000 0.496 102 D N -0.450 120.382 120.400 0.719 0.000 2.357 102 D HA 0.353 4.993 4.640 0.000 0.000 0.242 102 D C -0.484 176.318 176.300 0.836 0.000 1.153 102 D CA 0.214 54.631 54.000 0.696 0.000 0.918 102 D CB 1.732 42.907 40.800 0.624 0.000 1.181 102 D HN 0.022 nan 8.370 nan 0.000 0.435 103 V N 2.491 122.797 119.914 0.654 0.000 2.567 103 V HA 0.184 4.304 4.120 0.000 0.000 0.298 103 V C -0.317 175.882 176.094 0.175 0.000 1.047 103 V CA -0.816 61.748 62.300 0.440 0.000 0.880 103 V CB 1.978 33.889 31.823 0.146 0.000 1.009 103 V HN 0.311 nan 8.190 nan 0.000 0.429 104 V N 6.672 126.530 119.914 -0.092 0.000 2.313 104 V HA 0.417 4.537 4.120 0.000 0.000 0.278 104 V C 0.401 176.138 176.094 -0.594 0.000 1.017 104 V CA -0.036 62.118 62.300 -0.244 0.000 0.823 104 V CB 1.382 33.143 31.823 -0.103 0.000 1.010 104 V HN 0.927 nan 8.190 nan 0.000 0.443 105 M N 2.416 121.739 119.600 -0.462 0.000 2.347 105 M HA 0.188 4.668 4.480 0.000 0.000 0.324 105 M C 1.479 177.556 176.300 -0.372 0.000 1.028 105 M CA 0.033 55.043 55.300 -0.483 0.000 0.988 105 M CB 0.259 32.619 32.600 -0.399 0.000 1.528 105 M HN 0.664 nan 8.290 nan 0.000 0.550 106 N N 1.384 119.881 118.700 -0.338 0.000 2.250 106 N HA -0.062 4.678 4.740 0.000 0.000 0.181 106 N C 0.381 175.822 175.510 -0.115 0.000 1.017 106 N CA 1.027 53.975 53.050 -0.169 0.000 0.866 106 N CB 0.402 38.881 38.487 -0.012 0.000 0.985 106 N HN 0.451 nan 8.380 nan 0.000 0.429 107 H N -3.013 115.975 119.070 -0.136 0.000 2.960 107 H HA 0.498 5.054 4.556 0.000 0.000 0.323 107 H C -1.247 173.947 175.328 -0.223 0.000 1.326 107 H CA -1.001 54.994 56.048 -0.088 0.000 1.124 107 H CB 0.782 30.535 29.762 -0.016 0.000 1.853 107 H HN -0.170 nan 8.280 nan 0.000 0.536 108 K N 0.439 120.810 120.400 -0.048 0.000 2.443 108 K HA 0.543 4.863 4.320 0.000 0.000 0.252 108 K C -0.668 175.910 176.600 -0.037 0.000 0.933 108 K CA -0.675 55.439 56.287 -0.288 0.000 0.792 108 K CB 2.974 34.997 32.500 -0.795 0.000 1.185 108 K HN 0.829 nan 8.250 nan 0.000 0.425 109 G N -0.837 107.850 108.800 -0.188 0.000 2.630 109 G HA2 0.558 4.518 3.960 0.000 0.000 0.296 109 G HA3 0.558 4.518 3.960 0.000 0.000 0.296 109 G C 0.224 175.135 174.900 0.019 0.000 1.285 109 G CA -0.418 44.423 45.100 -0.431 0.000 0.958 109 G HN 0.705 nan 8.290 nan 0.000 0.479 110 G N -1.217 107.562 108.800 -0.036 0.000 2.182 110 G HA2 0.213 4.173 3.960 0.000 0.000 0.248 110 G HA3 0.213 4.173 3.960 0.000 0.000 0.248 110 G C 0.689 175.525 174.900 -0.107 0.000 1.042 110 G CA 0.482 45.528 45.100 -0.091 0.000 0.775 110 G HN 1.995 nan 8.290 nan 0.000 0.501 111 A N -0.310 122.343 122.820 -0.278 0.000 2.555 111 A HA 0.415 4.735 4.320 0.000 0.000 0.233 111 A C 1.438 178.853 177.584 -0.281 0.000 1.060 111 A CA 0.970 52.462 52.037 -0.907 0.000 0.759 111 A CB 0.330 19.002 19.000 -0.548 0.000 0.995 111 A HN 0.332 nan 8.150 nan 0.000 0.506 112 D N 0.400 120.605 120.400 -0.326 0.000 2.178 112 D HA 0.196 4.836 4.640 0.000 0.000 0.202 112 D C 0.806 177.147 176.300 0.068 0.000 0.974 112 D CA 1.998 55.963 54.000 -0.058 0.000 0.841 112 D CB 0.013 40.781 40.800 -0.053 0.000 0.953 112 D HN 0.778 nan 8.370 nan 0.000 0.478 113 A N -0.377 122.458 122.820 0.025 0.000 2.581 113 A HA 0.538 4.858 4.320 0.000 0.000 0.290 113 A C -0.343 177.077 177.584 -0.272 0.000 1.119 113 A CA -0.557 51.442 52.037 -0.064 0.000 0.670 113 A CB 1.146 20.096 19.000 -0.083 0.000 1.280 113 A HN 0.034 nan 8.150 nan 0.000 0.425 114 T N -1.270 112.947 114.554 -0.562 0.000 2.927 114 T HA 0.795 5.145 4.350 0.000 0.000 0.281 114 T C -0.353 174.158 174.700 -0.315 0.000 0.998 114 T CA -0.466 61.260 62.100 -0.623 0.000 1.019 114 T CB 1.390 69.716 68.868 -0.904 0.000 1.061 114 T HN 0.638 nan 8.240 nan 0.000 0.518 115 E N 0.423 120.469 120.200 -0.257 0.000 2.367 115 E HA 0.386 4.736 4.350 0.000 0.000 0.273 115 E C -0.813 175.626 176.600 -0.268 0.000 0.903 115 E CA -1.135 55.154 56.400 -0.185 0.000 0.764 115 E CB 1.811 31.477 29.700 -0.058 0.000 1.252 115 E HN 0.444 nan 8.360 nan 0.000 0.446 116 M N 2.146 121.581 119.600 -0.275 0.000 2.120 116 M HA 0.338 4.818 4.480 0.000 0.000 0.354 116 M C -0.641 175.360 176.300 -0.499 0.000 1.287 116 M CA -0.523 54.583 55.300 -0.324 0.000 1.103 116 M CB 0.413 32.866 32.600 -0.245 0.000 1.623 116 M HN 0.242 nan 8.290 nan 0.000 0.471 117 V N 4.390 123.962 119.914 -0.570 0.000 2.789 117 V HA 0.537 4.657 4.120 0.000 0.000 0.311 117 V C 0.138 175.856 176.094 -0.626 0.000 1.073 117 V CA -1.169 60.625 62.300 -0.842 0.000 0.921 117 V CB 2.479 33.630 31.823 -1.120 0.000 1.009 117 V HN 0.659 nan 8.190 nan 0.000 0.426 118 R N 2.429 122.560 120.500 -0.615 0.000 2.340 118 R HA 0.838 5.178 4.340 0.000 0.000 0.300 118 R C -0.114 176.021 176.300 -0.275 0.000 1.069 118 R CA 0.055 55.933 56.100 -0.371 0.000 0.984 118 R CB 1.146 31.280 30.300 -0.276 0.000 1.003 118 R HN 0.986 nan 8.270 nan 0.000 0.459 119 A N 1.543 124.223 122.820 -0.234 0.000 2.564 119 A HA 0.623 4.943 4.320 0.000 0.000 0.291 119 A C -1.101 176.386 177.584 -0.162 0.000 1.102 119 A CA -0.640 51.340 52.037 -0.095 0.000 0.660 119 A CB 1.396 20.440 19.000 0.073 0.000 1.283 119 A HN 0.441 nan 8.150 nan 0.000 0.430 120 V N -1.859 118.035 119.914 -0.035 0.000 2.876 120 V HA 0.779 4.900 4.120 0.000 0.000 0.312 120 V C -0.534 175.593 176.094 0.055 0.000 1.085 120 V CA -0.759 61.544 62.300 0.006 0.000 0.945 120 V CB 1.546 33.384 31.823 0.025 0.000 1.017 120 V HN 0.927 nan 8.190 nan 0.000 0.428 121 E N 1.417 121.664 120.200 0.079 0.000 2.349 121 E HA 0.628 4.978 4.350 0.000 0.000 0.265 121 E C -0.467 176.142 176.600 0.016 0.000 1.064 121 E CA -0.556 55.836 56.400 -0.014 0.000 0.886 121 E CB 2.043 31.730 29.700 -0.022 0.000 1.036 121 E HN 0.936 nan 8.360 nan 0.000 0.413 122 V N -0.297 119.619 119.914 0.004 0.000 3.001 122 V HA 0.435 4.555 4.120 0.000 0.000 0.314 122 V C -0.286 175.813 176.094 0.009 0.000 1.099 122 V CA -1.302 61.039 62.300 0.067 0.000 0.989 122 V CB 1.925 33.881 31.823 0.221 0.000 1.040 122 V HN 0.548 nan 8.190 nan 0.000 0.434 123 N N 2.735 121.445 118.700 0.016 0.000 2.452 123 N HA 0.277 5.017 4.740 0.000 0.000 0.266 123 N C -1.819 173.668 175.510 -0.039 0.000 1.209 123 N CA -1.567 51.474 53.050 -0.015 0.000 0.929 123 N CB 1.429 39.911 38.487 -0.007 0.000 1.063 123 N HN 0.480 nan 8.380 nan 0.000 0.472 124 P HA -0.051 nan 4.420 nan 0.000 0.221 124 P C 0.333 177.576 177.300 -0.095 0.000 1.145 124 P CA 1.060 64.115 63.100 -0.075 0.000 0.795 124 P CB 0.346 32.011 31.700 -0.059 0.000 0.775 125 N N -1.608 117.047 118.700 -0.076 0.000 2.336 125 N HA 0.016 4.756 4.740 0.000 0.000 0.189 125 N C 0.130 175.590 175.510 -0.083 0.000 1.113 125 N CA 0.536 53.535 53.050 -0.085 0.000 0.858 125 N CB -0.115 38.340 38.487 -0.054 0.000 0.970 125 N HN 0.085 nan 8.380 nan 0.000 0.471 126 N N 0.246 118.906 118.700 -0.066 0.000 2.976 126 N HA 0.150 4.890 4.740 0.000 0.000 0.220 126 N C -0.042 175.458 175.510 -0.016 0.000 1.428 126 N CA -0.180 52.843 53.050 -0.044 0.000 0.748 126 N CB 0.387 38.863 38.487 -0.019 0.000 1.484 126 N HN -0.303 nan 8.380 nan 0.000 0.578 127 R N 0.431 120.901 120.500 -0.050 0.000 2.341 127 R HA 0.161 4.502 4.340 0.000 0.000 0.213 127 R C 0.898 177.328 176.300 0.217 0.000 1.082 127 R CA 0.620 56.727 56.100 0.011 0.000 1.017 127 R CB -0.080 30.033 30.300 -0.312 0.000 0.860 127 R HN 0.439 nan 8.270 nan 0.000 0.473 128 N N 0.180 118.961 118.700 0.134 0.000 2.398 128 N HA -0.061 4.679 4.740 0.000 0.000 0.188 128 N C -0.183 175.394 175.510 0.111 0.000 1.122 128 N CA 0.318 53.466 53.050 0.163 0.000 0.866 128 N CB 0.347 38.880 38.487 0.077 0.000 0.970 128 N HN 0.322 nan 8.380 nan 0.000 0.462 129 Q N 1.467 121.322 119.800 0.091 0.000 2.372 129 Q HA 0.144 4.484 4.340 0.000 0.000 0.259 129 Q C -0.992 175.049 176.000 0.069 0.000 0.993 129 Q CA -0.323 55.516 55.803 0.060 0.000 0.854 129 Q CB 0.857 29.615 28.738 0.032 0.000 1.231 129 Q HN 0.175 nan 8.270 nan 0.000 0.462 130 E N 2.380 122.617 120.200 0.061 0.000 2.316 130 E HA 0.059 4.409 4.350 0.000 0.000 0.275 130 E C 0.627 177.253 176.600 0.043 0.000 1.029 130 E CA -0.156 56.278 56.400 0.057 0.000 0.871 130 E CB 1.323 31.049 29.700 0.045 0.000 1.022 130 E HN 0.574 nan 8.360 nan 0.000 0.418 131 V N -0.444 119.495 119.914 0.042 0.000 3.528 131 V HA 0.153 4.273 4.120 0.000 0.000 0.294 131 V C 0.392 176.513 176.094 0.046 0.000 1.404 131 V CA 0.300 62.620 62.300 0.033 0.000 1.065 131 V CB 0.006 31.839 31.823 0.017 0.000 0.904 131 V HN 0.700 nan 8.190 nan 0.000 0.435 132 T N -3.249 111.349 114.554 0.074 0.000 2.816 132 T HA 0.741 5.091 4.350 0.000 0.000 0.299 132 T C 0.289 175.058 174.700 0.115 0.000 1.230 132 T CA 0.039 62.202 62.100 0.105 0.000 1.007 132 T CB 1.326 70.311 68.868 0.195 0.000 1.289 132 T HN 0.608 nan 8.240 nan 0.000 0.508 133 G N -0.430 108.445 108.800 0.124 0.000 2.563 133 G HA2 0.486 4.446 3.960 0.000 0.000 0.283 133 G HA3 0.486 4.446 3.960 0.000 0.000 0.283 133 G C -0.509 174.494 174.900 0.171 0.000 1.309 133 G CA -0.700 44.465 45.100 0.109 0.000 1.022 133 G HN 1.034 nan 8.290 nan 0.000 0.501 134 E N -0.957 119.310 120.200 0.112 0.000 2.313 134 E HA 0.474 4.824 4.350 0.000 0.000 0.276 134 E C -1.008 175.692 176.600 0.166 0.000 1.031 134 E CA -0.549 55.898 56.400 0.078 0.000 0.857 134 E CB 0.615 30.324 29.700 0.016 0.000 1.040 134 E HN 0.503 nan 8.360 nan 0.000 0.408 135 Y N -0.509 119.778 120.300 -0.021 0.000 2.689 135 Y HA 0.383 4.933 4.550 0.000 0.000 0.333 135 Y C -1.181 174.668 175.900 -0.084 0.000 1.208 135 Y CA -1.220 56.852 58.100 -0.047 0.000 1.055 135 Y CB 0.875 39.317 38.460 -0.031 0.000 1.304 135 Y HN 0.211 nan 8.280 nan 0.000 0.455 136 T N 4.194 118.772 114.554 0.039 0.000 2.817 136 T HA 0.602 4.952 4.350 0.000 0.000 0.293 136 T C -0.076 174.548 174.700 -0.127 0.000 0.964 136 T CA -0.252 61.770 62.100 -0.129 0.000 1.085 136 T CB 0.115 68.916 68.868 -0.112 0.000 0.921 136 T HN 0.711 nan 8.240 nan 0.000 0.502 137 I N -0.433 119.958 120.570 -0.298 0.000 3.067 137 I HA 0.697 4.867 4.170 0.000 0.000 0.312 137 I C -0.429 175.499 176.117 -0.314 0.000 1.073 137 I CA -1.214 59.895 61.300 -0.318 0.000 1.016 137 I CB 2.279 39.957 38.000 -0.536 0.000 1.227 137 I HN 0.412 nan 8.210 nan 0.000 0.456 138 E N 2.473 122.492 120.200 -0.302 0.000 2.073 138 E HA 0.642 4.992 4.350 0.000 0.000 0.269 138 E C -1.128 175.293 176.600 -0.298 0.000 0.917 138 E CA -0.722 55.497 56.400 -0.302 0.000 0.757 138 E CB 1.427 30.959 29.700 -0.280 0.000 1.111 138 E HN 0.816 nan 8.360 nan 0.000 0.410 139 A N 4.022 126.690 122.820 -0.253 0.000 2.340 139 A HA 0.377 4.697 4.320 0.000 0.000 0.331 139 A C -1.272 176.243 177.584 -0.115 0.000 1.140 139 A CA -0.710 51.284 52.037 -0.073 0.000 0.801 139 A CB 0.497 19.581 19.000 0.140 0.000 1.234 139 A HN 0.735 nan 8.150 nan 0.000 0.469 140 W N 2.090 123.458 121.300 0.113 0.000 2.081 140 W HA 0.343 5.003 4.660 0.000 0.000 0.433 140 W C 0.888 177.422 176.519 0.026 0.000 0.876 140 W CA 0.485 57.858 57.345 0.048 0.000 1.631 140 W CB 0.488 29.990 29.460 0.071 0.000 1.757 140 W HN 0.786 nan 8.180 nan 0.000 0.298 141 T N -1.854 112.804 114.554 0.173 0.000 3.043 141 T HA 0.204 4.554 4.350 0.000 0.000 0.272 141 T C 0.548 175.511 174.700 0.438 0.000 0.990 141 T CA -0.542 61.718 62.100 0.267 0.000 0.897 141 T CB 0.158 69.266 68.868 0.398 0.000 1.111 141 T HN 0.203 nan 8.240 nan 0.000 0.529 142 R N 0.759 121.345 120.500 0.144 0.000 2.229 142 R HA 0.585 4.925 4.340 0.000 0.000 0.328 142 R C -1.694 174.540 176.300 -0.109 0.000 1.009 142 R CA -0.711 55.463 56.100 0.123 0.000 0.864 142 R CB 0.288 30.599 30.300 0.018 0.000 1.085 142 R HN 0.163 nan 8.270 nan 0.000 0.453 143 F N 3.272 123.227 119.950 0.009 0.000 2.499 143 F HA 0.301 4.828 4.527 0.000 0.000 0.333 143 F C 0.309 175.777 175.800 -0.553 0.000 1.138 143 F CA -0.766 57.039 58.000 -0.324 0.000 0.945 143 F CB 2.142 40.869 39.000 -0.455 0.000 1.181 143 F HN 0.560 nan 8.300 nan 0.000 0.435 144 D N 2.382 122.533 120.400 -0.416 0.000 2.479 144 D HA 0.104 4.744 4.640 0.000 0.000 0.221 144 D C -0.090 176.124 176.300 -0.143 0.000 1.104 144 D CA 0.419 54.272 54.000 -0.245 0.000 0.849 144 D CB 0.376 41.138 40.800 -0.063 0.000 1.072 144 D HN 0.390 nan 8.370 nan 0.000 0.502 145 F N 0.322 120.383 119.950 0.185 0.000 2.695 145 F HA -0.165 4.363 4.527 0.000 0.000 0.305 145 F C -1.403 174.454 175.800 0.095 0.000 1.044 145 F CA -0.420 57.671 58.000 0.152 0.000 1.049 145 F CB -1.752 37.263 39.000 0.024 0.000 1.267 145 F HN 0.104 nan 8.300 nan 0.000 0.828 146 P HA -0.157 nan 4.420 nan 0.000 0.219 146 P C 1.682 179.062 177.300 0.133 0.000 1.146 146 P CA 2.104 65.287 63.100 0.139 0.000 0.808 146 P CB 0.108 31.874 31.700 0.110 0.000 0.779 147 G N -0.371 108.538 108.800 0.181 0.000 2.551 147 G HA2 -0.126 3.834 3.960 0.000 0.000 0.216 147 G HA3 -0.126 3.834 3.960 0.000 0.000 0.216 147 G C 1.809 176.765 174.900 0.093 0.000 1.137 147 G CA 0.129 45.337 45.100 0.180 0.000 0.798 147 G HN 0.279 nan 8.290 nan 0.000 0.536 148 R N -0.478 119.959 120.500 -0.104 0.000 2.225 148 R HA 0.351 4.691 4.340 0.000 0.000 0.194 148 R C 1.645 177.715 176.300 -0.384 0.000 0.957 148 R CA 1.151 56.842 56.100 -0.682 0.000 1.042 148 R CB -0.034 29.704 30.300 -0.936 0.000 1.004 148 R HN 0.337 nan 8.270 nan 0.000 0.509 149 G N 1.115 109.846 108.800 -0.115 0.000 2.550 149 G HA2 -0.350 3.611 3.960 0.000 0.000 0.277 149 G HA3 -0.350 3.611 3.960 0.000 0.000 0.277 149 G C -0.004 174.838 174.900 -0.095 0.000 1.190 149 G CA 0.254 45.318 45.100 -0.061 0.000 0.971 149 G HN 0.425 nan 8.290 nan 0.000 0.559 150 N N 1.310 119.947 118.700 -0.105 0.000 2.235 150 N HA 0.166 4.906 4.740 0.000 0.000 0.209 150 N C 0.518 175.910 175.510 -0.196 0.000 1.122 150 N CA 0.800 53.775 53.050 -0.125 0.000 0.845 150 N CB 0.282 38.724 38.487 -0.074 0.000 1.004 150 N HN 0.569 nan 8.380 nan 0.000 0.499 151 T N 1.240 115.636 114.554 -0.262 0.000 2.902 151 T HA -0.010 4.340 4.350 0.000 0.000 0.301 151 T C 0.656 175.123 174.700 -0.387 0.000 1.012 151 T CA 0.391 62.293 62.100 -0.329 0.000 1.151 151 T CB 0.559 69.227 68.868 -0.332 0.000 0.946 151 T HN 0.382 nan 8.240 nan 0.000 0.542 152 H N -0.372 118.618 119.070 -0.133 0.000 4.796 152 H HA -0.178 4.378 4.556 0.000 0.000 0.086 152 H C 0.575 175.507 175.328 -0.660 0.000 0.585 152 H CA 1.692 57.549 56.048 -0.317 0.000 1.116 152 H CB -1.400 28.101 29.762 -0.435 0.000 0.488 152 H HN 0.692 nan 8.280 nan 0.000 0.720 153 S N -0.510 114.839 115.700 -0.586 0.000 2.542 153 S HA 0.440 4.910 4.470 0.000 0.000 0.276 153 S C 0.512 174.927 174.600 -0.309 0.000 1.148 153 S CA 0.207 58.052 58.200 -0.592 0.000 0.886 153 S CB 1.445 63.889 63.200 -1.262 0.000 1.109 153 S HN 0.492 nan 8.310 nan 0.000 0.458 154 S N 3.114 118.731 115.700 -0.139 0.000 2.540 154 S HA 0.313 4.783 4.470 0.000 0.000 0.218 154 S C 0.146 174.750 174.600 0.007 0.000 0.977 154 S CA -0.359 57.809 58.200 -0.054 0.000 0.918 154 S CB -0.397 62.776 63.200 -0.045 0.000 0.806 154 S HN 0.630 nan 8.310 nan 0.000 0.496 155 F N 3.985 123.860 119.950 -0.125 0.000 2.543 155 F HA 0.394 4.921 4.527 0.000 0.000 0.375 155 F C 0.211 175.997 175.800 -0.024 0.000 1.075 155 F CA -0.063 57.847 58.000 -0.149 0.000 1.225 155 F CB 0.492 39.339 39.000 -0.255 0.000 1.099 155 F HN -0.095 nan 8.300 nan 0.000 0.561 156 K N 5.805 125.899 120.400 -0.509 0.000 2.259 156 K HA 0.252 4.572 4.320 0.000 0.000 0.252 156 K C -1.456 174.898 176.600 -0.409 0.000 0.936 156 K CA -0.522 55.659 56.287 -0.176 0.000 0.810 156 K CB 1.417 33.846 32.500 -0.119 0.000 1.143 156 K HN 0.591 nan 8.250 nan 0.000 0.427 157 W N 1.783 123.068 121.300 -0.025 0.000 2.438 157 W HA 0.461 5.121 4.660 0.000 0.000 0.324 157 W C 0.658 177.286 176.519 0.181 0.000 1.119 157 W CA -0.502 56.925 57.345 0.137 0.000 1.221 157 W CB 0.948 30.525 29.460 0.194 0.000 1.253 157 W HN 0.167 nan 8.180 nan 0.000 0.555 158 R N 1.800 122.445 120.500 0.242 0.000 2.869 158 R HA 0.180 4.520 4.340 0.000 0.000 0.263 158 R C 1.279 177.470 176.300 -0.181 0.000 1.066 158 R CA -0.836 55.128 56.100 -0.226 0.000 0.960 158 R CB 0.195 29.889 30.300 -1.009 0.000 1.221 158 R HN 0.871 nan 8.270 nan 0.000 0.474 159 W N 1.834 123.095 121.300 -0.066 0.000 2.308 159 W HA -0.275 4.385 4.660 0.000 0.000 0.301 159 W C 1.136 177.787 176.519 0.220 0.000 1.220 159 W CA 1.610 59.065 57.345 0.183 0.000 1.240 159 W CB -0.982 28.396 29.460 -0.137 0.000 1.142 159 W HN 0.724 nan 8.180 nan 0.000 0.521 160 Y N 0.064 119.673 120.300 -1.152 0.000 2.639 160 Y HA 0.044 4.594 4.550 0.000 0.000 0.297 160 Y C 1.702 177.369 175.900 -0.388 0.000 1.151 160 Y CA 1.484 58.942 58.100 -1.070 0.000 1.335 160 Y CB -1.900 35.694 38.460 -1.443 0.000 0.994 160 Y HN 0.116 nan 8.280 nan 0.000 0.548 161 H N -1.139 117.749 119.070 -0.303 0.000 2.539 161 H HA 0.252 4.808 4.556 0.000 0.000 0.269 161 H C -0.726 174.363 175.328 -0.397 0.000 0.980 161 H CA -0.360 55.439 56.048 -0.414 0.000 1.152 161 H CB 0.124 29.519 29.762 -0.613 0.000 1.407 161 H HN 0.192 nan 8.280 nan 0.000 0.564 162 F N -0.626 119.560 119.950 0.392 0.000 2.579 162 F HA 0.215 4.742 4.527 0.000 0.000 0.324 162 F C 0.718 176.720 175.800 0.337 0.000 1.058 162 F CA -1.109 57.122 58.000 0.384 0.000 0.944 162 F CB 1.525 40.804 39.000 0.464 0.000 1.245 162 F HN -0.111 nan 8.300 nan 0.000 0.477 163 D N 0.212 120.831 120.400 0.365 0.000 2.366 163 D HA 0.326 4.966 4.640 0.000 0.000 0.205 163 D C 0.751 176.849 176.300 -0.336 0.000 1.022 163 D CA 0.778 54.854 54.000 0.125 0.000 0.868 163 D CB 0.916 41.879 40.800 0.272 0.000 0.953 163 D HN 0.690 nan 8.370 nan 0.000 0.514 164 G N -0.466 108.058 108.800 -0.460 0.000 2.315 164 G HA2 0.426 4.386 3.960 0.000 0.000 0.294 164 G HA3 0.426 4.386 3.960 0.000 0.000 0.294 164 G C -1.444 173.342 174.900 -0.191 0.000 1.300 164 G CA -0.128 44.477 45.100 -0.826 0.000 0.843 164 G HN 0.173 nan 8.290 nan 0.000 0.527 165 V N -3.539 116.341 119.914 -0.056 0.000 3.181 165 V HA 0.865 4.985 4.120 0.000 0.000 0.307 165 V C -0.688 175.460 176.094 0.089 0.000 1.310 165 V CA 0.054 62.495 62.300 0.236 0.000 1.067 165 V CB 2.129 34.165 31.823 0.354 0.000 1.081 165 V HN 1.054 nan 8.190 nan 0.000 0.453 166 D N -1.203 119.363 120.400 0.277 0.000 2.501 166 D HA 0.183 4.823 4.640 0.000 0.000 0.224 166 D C -0.221 176.426 176.300 0.579 0.000 1.202 166 D CA 0.080 54.232 54.000 0.252 0.000 0.829 166 D CB 0.540 41.455 40.800 0.192 0.000 1.023 166 D HN 0.753 nan 8.370 nan 0.000 0.499 167 W N 1.622 123.138 121.300 0.361 0.000 3.132 167 W HA 0.294 4.954 4.660 0.000 0.000 0.337 167 W C -1.953 174.641 176.519 0.125 0.000 1.082 167 W CA -0.660 56.859 57.345 0.291 0.000 1.242 167 W CB 1.912 31.514 29.460 0.236 0.000 1.354 167 W HN -0.242 nan 8.180 nan 0.000 0.461 168 D N 4.237 124.332 120.400 -0.509 0.000 2.443 168 D HA 0.053 4.693 4.640 0.000 0.000 0.221 168 D C 0.947 176.850 176.300 -0.662 0.000 1.097 168 D CA 0.028 53.669 54.000 -0.598 0.000 0.865 168 D CB 1.609 42.044 40.800 -0.610 0.000 1.034 168 D HN 0.379 nan 8.370 nan 0.000 0.511 169 Q N 2.107 121.699 119.800 -0.347 0.000 2.368 169 Q HA -0.142 4.198 4.340 0.000 0.000 0.210 169 Q C 1.514 177.427 176.000 -0.145 0.000 0.982 169 Q CA 1.588 57.324 55.803 -0.111 0.000 0.884 169 Q CB -0.025 28.738 28.738 0.043 0.000 0.933 169 Q HN 0.460 nan 8.270 nan 0.000 0.460 170 S N -1.830 113.746 115.700 -0.206 0.000 2.501 170 S HA 0.115 4.585 4.470 0.000 0.000 0.220 170 S C 1.499 176.017 174.600 -0.137 0.000 0.997 170 S CA 0.065 58.179 58.200 -0.143 0.000 0.919 170 S CB 0.245 63.365 63.200 -0.133 0.000 0.778 170 S HN 0.398 nan 8.310 nan 0.000 0.523 171 R N 0.156 120.532 120.500 -0.206 0.000 2.513 171 R HA 0.347 4.687 4.340 0.000 0.000 0.245 171 R C -0.323 175.831 176.300 -0.244 0.000 0.908 171 R CA -0.286 55.714 56.100 -0.167 0.000 1.023 171 R CB 0.263 30.499 30.300 -0.106 0.000 1.338 171 R HN 0.202 nan 8.270 nan 0.000 0.575 172 R N 1.722 121.908 120.500 -0.523 0.000 3.188 172 R HA -0.164 4.176 4.340 0.000 0.000 0.247 172 R C -0.891 175.124 176.300 -0.476 0.000 0.918 172 R CA 0.422 55.989 56.100 -0.888 0.000 0.629 172 R CB -1.968 28.198 30.300 -0.222 0.000 1.087 172 R HN 0.209 nan 8.270 nan 0.000 0.462 173 L N 0.519 121.522 121.223 -0.366 0.000 2.325 173 L HA 0.319 4.659 4.340 0.000 0.000 0.279 173 L C 0.731 177.671 176.870 0.117 0.000 1.054 173 L CA -0.909 53.905 54.840 -0.044 0.000 0.804 173 L CB 1.311 43.381 42.059 0.017 0.000 1.200 173 L HN 0.159 nan 8.230 nan 0.000 0.436 174 N N 1.459 120.263 118.700 0.172 0.000 2.493 174 N HA 0.111 4.851 4.740 0.000 0.000 0.275 174 N C 0.354 175.933 175.510 0.116 0.000 1.186 174 N CA -0.031 53.147 53.050 0.212 0.000 0.978 174 N CB 0.585 39.174 38.487 0.169 0.000 1.184 174 N HN 0.579 nan 8.380 nan 0.000 0.487 175 N N 0.284 119.046 118.700 0.103 0.000 2.740 175 N HA -0.196 4.544 4.740 0.000 0.000 0.248 175 N C -1.507 173.991 175.510 -0.019 0.000 1.062 175 N CA 0.695 53.768 53.050 0.038 0.000 0.704 175 N CB -0.531 37.969 38.487 0.022 0.000 0.968 175 N HN 0.446 nan 8.380 nan 0.000 0.547 176 R N 0.212 120.687 120.500 -0.041 0.000 2.803 176 R HA 0.654 4.994 4.340 0.000 0.000 0.276 176 R C -0.086 176.011 176.300 -0.338 0.000 0.978 176 R CA -0.696 55.259 56.100 -0.242 0.000 0.939 176 R CB 1.162 31.235 30.300 -0.379 0.000 1.179 176 R HN 0.256 nan 8.270 nan 0.000 0.472 177 I N 2.462 122.742 120.570 -0.483 0.000 2.478 177 I HA 0.314 4.484 4.170 0.000 0.000 0.287 177 I C -1.133 174.725 176.117 -0.432 0.000 1.042 177 I CA -0.834 60.204 61.300 -0.437 0.000 1.067 177 I CB 1.679 39.499 38.000 -0.301 0.000 1.233 177 I HN 0.397 nan 8.210 nan 0.000 0.431 178 Y N 5.085 125.332 120.300 -0.089 0.000 2.331 178 Y HA 0.389 4.939 4.550 0.000 0.000 0.338 178 Y C 0.186 176.052 175.900 -0.057 0.000 0.976 178 Y CA -0.681 57.403 58.100 -0.027 0.000 1.137 178 Y CB 1.396 39.861 38.460 0.008 0.000 1.172 178 Y HN 0.369 nan 8.280 nan 0.000 0.478 179 K N 4.237 124.665 120.400 0.046 0.000 2.240 179 K HA 0.376 4.696 4.320 0.000 0.000 0.271 179 K C -1.102 175.480 176.600 -0.031 0.000 1.018 179 K CA -0.592 55.516 56.287 -0.299 0.000 0.874 179 K CB 0.475 32.662 32.500 -0.522 0.000 1.098 179 K HN 0.404 nan 8.250 nan 0.000 0.458 180 F N 2.668 122.561 119.950 -0.095 0.000 2.553 180 F HA 0.192 4.719 4.527 0.000 0.000 0.356 180 F C 1.357 177.147 175.800 -0.017 0.000 1.142 180 F CA -0.301 57.703 58.000 0.005 0.000 1.322 180 F CB 0.275 39.402 39.000 0.212 0.000 1.126 180 F HN 0.370 nan 8.300 nan 0.000 0.599 181 R N 0.371 120.977 120.500 0.178 0.000 2.643 181 R HA 0.767 5.107 4.340 0.000 0.000 0.272 181 R C 0.136 176.547 176.300 0.184 0.000 0.995 181 R CA -0.398 55.760 56.100 0.097 0.000 1.032 181 R CB 1.592 31.895 30.300 0.005 0.000 1.126 181 R HN 0.877 nan 8.270 nan 0.000 0.505 182 G N 0.395 109.300 108.800 0.175 0.000 2.359 182 G HA2 -0.056 3.904 3.960 0.000 0.000 0.314 182 G HA3 -0.056 3.904 3.960 0.000 0.000 0.314 182 G C -1.667 173.378 174.900 0.241 0.000 1.364 182 G CA -1.053 44.222 45.100 0.293 0.000 0.978 182 G HN 0.606 nan 8.290 nan 0.000 0.615 183 H N 0.180 119.311 119.070 0.102 0.000 3.157 183 H HA 0.372 4.928 4.556 0.000 0.000 0.299 183 H C 1.655 177.004 175.328 0.034 0.000 0.961 183 H CA 1.882 57.956 56.048 0.043 0.000 1.428 183 H CB 0.496 30.262 29.762 0.007 0.000 1.459 183 H HN 2.126 nan 8.280 nan 0.000 0.566 184 G N 2.620 111.483 108.800 0.105 0.000 2.168 184 G HA2 -0.308 3.652 3.960 0.000 0.000 0.257 184 G HA3 -0.308 3.652 3.960 0.000 0.000 0.257 184 G C 0.164 175.115 174.900 0.084 0.000 0.997 184 G CA -0.091 45.053 45.100 0.074 0.000 0.708 184 G HN 0.453 nan 8.290 nan 0.000 0.520 185 K N 0.527 120.988 120.400 0.101 0.000 2.312 185 K HA 0.749 5.069 4.320 0.000 0.000 0.287 185 K C 0.329 176.933 176.600 0.006 0.000 1.062 185 K CA 0.679 57.025 56.287 0.098 0.000 0.934 185 K CB 1.376 33.981 32.500 0.175 0.000 1.027 185 K HN 1.204 nan 8.250 nan 0.000 0.478 186 A N 3.336 126.141 122.820 -0.025 0.000 2.583 186 A HA 0.358 4.678 4.320 0.000 0.000 0.292 186 A C -1.697 175.886 177.584 -0.002 0.000 1.045 186 A CA -1.026 50.951 52.037 -0.099 0.000 0.672 186 A CB 0.292 19.295 19.000 0.005 0.000 1.283 186 A HN 0.656 nan 8.150 nan 0.000 0.419 187 W N 1.627 123.007 121.300 0.135 0.000 2.209 187 W HA 0.265 4.925 4.660 0.000 0.000 0.344 187 W C 0.039 176.667 176.519 0.182 0.000 1.285 187 W CA 0.134 57.576 57.345 0.160 0.000 1.267 187 W CB 0.458 30.016 29.460 0.163 0.000 1.167 187 W HN 0.588 nan 8.180 nan 0.000 0.574 188 D N 1.159 121.840 120.400 0.469 0.000 2.357 188 D HA 0.085 4.725 4.640 0.000 0.000 0.242 188 D C -0.549 175.995 176.300 0.406 0.000 1.153 188 D CA 0.232 54.435 54.000 0.338 0.000 0.918 188 D CB 0.754 41.695 40.800 0.235 0.000 1.181 188 D HN 0.389 nan 8.370 nan 0.000 0.435 189 W N 0.925 122.279 121.300 0.091 0.000 3.425 189 W HA 0.182 4.842 4.660 0.000 0.000 0.318 189 W C -0.997 175.528 176.519 0.009 0.000 1.201 189 W CA -0.602 56.759 57.345 0.027 0.000 1.212 189 W CB 1.563 31.053 29.460 0.049 0.000 1.355 189 W HN 0.339 nan 8.180 nan 0.000 0.515 190 E N 3.056 122.810 120.200 -0.743 0.000 2.313 190 E HA 0.481 4.831 4.350 0.000 0.000 0.272 190 E C -0.719 175.109 176.600 -1.286 0.000 1.038 190 E CA -0.273 55.105 56.400 -1.704 0.000 0.863 190 E CB 1.724 30.328 29.700 -1.826 0.000 1.060 190 E HN 0.331 nan 8.360 nan 0.000 0.402 191 V N 0.332 119.578 119.914 -1.113 0.000 3.182 191 V HA 0.407 4.527 4.120 0.000 0.000 0.308 191 V C -0.450 175.461 176.094 -0.305 0.000 1.240 191 V CA -1.201 60.739 62.300 -0.600 0.000 1.063 191 V CB 1.416 33.196 31.823 -0.072 0.000 1.076 191 V HN 0.790 nan 8.190 nan 0.000 0.446 192 D N 0.835 121.259 120.400 0.040 0.000 2.419 192 D HA 0.269 4.909 4.640 0.000 0.000 0.236 192 D C 1.282 177.730 176.300 0.247 0.000 1.165 192 D CA 0.969 55.094 54.000 0.208 0.000 0.882 192 D CB 1.478 42.356 40.800 0.130 0.000 1.201 192 D HN 1.038 nan 8.370 nan 0.000 0.443 193 T N -0.310 114.402 114.554 0.264 0.000 3.086 193 T HA 0.080 4.430 4.350 0.000 0.000 0.250 193 T C 0.729 175.510 174.700 0.135 0.000 1.074 193 T CA -0.446 61.795 62.100 0.236 0.000 0.988 193 T CB -0.215 68.802 68.868 0.249 0.000 0.988 193 T HN 0.487 nan 8.240 nan 0.000 0.530 194 E N 1.870 122.155 120.200 0.141 0.000 2.414 194 E HA 0.047 4.397 4.350 0.000 0.000 0.263 194 E C -0.190 176.286 176.600 -0.207 0.000 1.000 194 E CA 0.129 56.535 56.400 0.010 0.000 0.914 194 E CB -0.088 29.664 29.700 0.085 0.000 0.948 194 E HN 0.512 nan 8.360 nan 0.000 0.444 195 N N 2.559 121.138 118.700 -0.202 0.000 2.776 195 N HA -0.277 4.463 4.740 0.000 0.000 0.250 195 N C 0.619 176.042 175.510 -0.145 0.000 1.112 195 N CA 0.160 53.064 53.050 -0.243 0.000 0.733 195 N CB -1.196 36.997 38.487 -0.489 0.000 1.097 195 N HN 0.884 nan 8.380 nan 0.000 0.558 196 G N 0.436 109.201 108.800 -0.059 0.000 4.039 196 G HA2 -0.407 3.553 3.960 0.000 0.000 0.220 196 G HA3 -0.407 3.553 3.960 0.000 0.000 0.220 196 G C -0.117 174.805 174.900 0.037 0.000 1.391 196 G CA 0.649 45.743 45.100 -0.010 0.000 0.920 196 G HN 0.626 nan 8.290 nan 0.000 0.599 197 N N -0.748 117.949 118.700 -0.005 0.000 2.519 197 N HA 0.376 5.116 4.740 0.000 0.000 0.291 197 N C -1.010 174.492 175.510 -0.014 0.000 1.107 197 N CA -0.516 52.571 53.050 0.063 0.000 0.904 197 N CB 1.104 39.621 38.487 0.051 0.000 1.500 197 N HN 0.131 nan 8.380 nan 0.000 0.510 198 Y N 2.316 122.614 120.300 -0.003 0.000 2.645 198 Y HA 0.137 4.687 4.550 0.000 0.000 0.307 198 Y C 1.479 177.409 175.900 0.051 0.000 1.151 198 Y CA -0.557 57.551 58.100 0.013 0.000 1.291 198 Y CB -0.193 38.304 38.460 0.062 0.000 1.135 198 Y HN 0.634 nan 8.280 nan 0.000 0.523 199 D N -0.305 120.164 120.400 0.115 0.000 2.104 199 D HA -0.244 4.396 4.640 0.000 0.000 0.194 199 D C 0.238 176.550 176.300 0.021 0.000 0.994 199 D CA 1.076 55.136 54.000 0.100 0.000 0.830 199 D CB -0.255 40.651 40.800 0.177 0.000 0.959 199 D HN 0.257 nan 8.370 nan 0.000 0.452 200 Y N 0.040 120.169 120.300 -0.286 0.000 2.335 200 Y HA 0.312 4.862 4.550 0.000 0.000 0.331 200 Y C 0.617 176.452 175.900 -0.108 0.000 1.094 200 Y CA -0.270 57.700 58.100 -0.217 0.000 1.253 200 Y CB 1.021 39.215 38.460 -0.443 0.000 1.203 200 Y HN 0.006 nan 8.280 nan 0.000 0.508 201 L N 5.647 126.238 121.223 -1.052 0.000 2.691 201 L HA 0.468 4.808 4.340 0.000 0.000 0.185 201 L C -0.618 175.810 176.870 -0.738 0.000 1.081 201 L CA 0.730 55.114 54.840 -0.760 0.000 0.865 201 L CB 0.348 41.856 42.059 -0.919 0.000 1.370 201 L HN 0.736 nan 8.230 nan 0.000 0.488 202 M N -4.258 114.791 119.600 -0.918 0.000 2.949 202 M HA 0.404 4.884 4.480 0.000 0.000 0.270 202 M C -0.538 175.554 176.300 -0.346 0.000 1.221 202 M CA -0.799 54.173 55.300 -0.547 0.000 0.818 202 M CB 1.407 33.675 32.600 -0.553 0.000 1.635 202 M HN 0.097 nan 8.290 nan 0.000 0.492 203 Y N -0.522 119.718 120.300 -0.100 0.000 2.822 203 Y HA -0.184 4.366 4.550 0.000 0.000 0.451 203 Y C 0.565 176.553 175.900 0.146 0.000 1.167 203 Y CA 1.259 59.369 58.100 0.017 0.000 2.436 203 Y CB -1.686 36.745 38.460 -0.048 0.000 1.199 203 Y HN 1.107 nan 8.280 nan 0.000 0.647 204 A N 1.219 124.217 122.820 0.297 0.000 2.279 204 A HA 0.458 4.778 4.320 0.000 0.000 0.306 204 A C -0.763 176.956 177.584 0.224 0.000 1.300 204 A CA 0.084 52.163 52.037 0.070 0.000 0.925 204 A CB 0.146 18.812 19.000 -0.557 0.000 1.152 204 A HN 0.449 nan 8.150 nan 0.000 0.544 205 D N 2.861 123.481 120.400 0.366 0.000 2.358 205 D HA 0.273 4.914 4.640 0.000 0.000 0.258 205 D C 0.139 176.762 176.300 0.537 0.000 1.223 205 D CA 0.104 54.330 54.000 0.377 0.000 0.886 205 D CB 0.240 41.291 40.800 0.419 0.000 1.120 205 D HN 0.480 nan 8.370 nan 0.000 0.482 206 I N 2.930 123.726 120.570 0.377 0.000 2.648 206 I HA -0.004 4.166 4.170 0.000 0.000 0.284 206 I C 0.525 176.730 176.117 0.147 0.000 1.153 206 I CA 0.069 61.501 61.300 0.219 0.000 1.426 206 I CB 0.594 38.587 38.000 -0.012 0.000 1.381 206 I HN 0.425 nan 8.210 nan 0.000 0.571 207 D N 7.651 128.128 120.400 0.127 0.000 2.411 207 D HA 0.127 4.767 4.640 0.000 0.000 0.225 207 D C 0.700 177.029 176.300 0.047 0.000 1.156 207 D CA -0.354 53.732 54.000 0.142 0.000 0.874 207 D CB 0.879 41.805 40.800 0.209 0.000 1.034 207 D HN 0.294 nan 8.370 nan 0.000 0.502 208 M N 1.976 121.563 119.600 -0.022 0.000 2.686 208 M HA -0.020 4.460 4.480 0.000 0.000 0.246 208 M C 0.546 176.861 176.300 0.025 0.000 1.096 208 M CA 0.456 55.674 55.300 -0.136 0.000 1.076 208 M CB -0.199 32.255 32.600 -0.243 0.000 1.504 208 M HN 0.329 nan 8.290 nan 0.000 0.524 209 D N -1.251 119.205 120.400 0.094 0.000 2.348 209 D HA -0.025 4.615 4.640 0.000 0.000 0.211 209 D C 0.485 176.849 176.300 0.107 0.000 0.998 209 D CA 0.422 54.487 54.000 0.108 0.000 0.873 209 D CB -0.075 40.793 40.800 0.113 0.000 0.925 209 D HN 0.427 nan 8.370 nan 0.000 0.524 210 H N 0.660 119.756 119.070 0.044 0.000 2.800 210 H HA 0.095 4.651 4.556 0.000 0.000 0.291 210 H C -1.525 173.825 175.328 0.035 0.000 1.076 210 H CA -1.601 54.476 56.048 0.049 0.000 1.452 210 H CB 1.798 31.609 29.762 0.081 0.000 1.461 210 H HN -0.202 nan 8.280 nan 0.000 0.488 211 P HA -0.207 nan 4.420 nan 0.000 0.216 211 P C 0.902 178.323 177.300 0.202 0.000 1.153 211 P CA 1.416 64.612 63.100 0.159 0.000 0.858 211 P CB 0.298 32.045 31.700 0.077 0.000 0.789 212 E N -0.830 119.605 120.200 0.393 0.000 2.110 212 E HA -0.126 4.224 4.350 0.000 0.000 0.193 212 E C 1.931 178.469 176.600 -0.103 0.000 0.988 212 E CA 0.937 57.448 56.400 0.186 0.000 0.804 212 E CB -0.472 29.374 29.700 0.243 0.000 0.745 212 E HN 0.038 nan 8.360 nan 0.000 0.458 213 V N 0.440 120.265 119.914 -0.149 0.000 2.307 213 V HA -0.223 3.897 4.120 0.000 0.000 0.245 213 V C 2.286 178.267 176.094 -0.188 0.000 1.045 213 V CA 1.252 63.336 62.300 -0.359 0.000 1.024 213 V CB -0.263 31.427 31.823 -0.221 0.000 0.651 213 V HN 0.139 nan 8.190 nan 0.000 0.449 214 V N 0.682 120.594 119.914 -0.004 0.000 2.287 214 V HA -0.322 3.799 4.120 0.000 0.000 0.248 214 V C 2.317 178.477 176.094 0.110 0.000 1.053 214 V CA 2.637 65.045 62.300 0.180 0.000 1.027 214 V CB -1.042 30.916 31.823 0.226 0.000 0.646 214 V HN 0.672 nan 8.190 nan 0.000 0.447 215 N N 0.149 118.852 118.700 0.005 0.000 2.104 215 N HA -0.227 4.513 4.740 0.000 0.000 0.190 215 N C 1.808 177.264 175.510 -0.090 0.000 1.024 215 N CA 1.721 54.744 53.050 -0.045 0.000 0.853 215 N CB -0.193 38.281 38.487 -0.022 0.000 1.008 215 N HN 0.509 nan 8.380 nan 0.000 0.424 216 E N 0.381 120.430 120.200 -0.251 0.000 2.072 216 E HA -0.065 4.286 4.350 0.000 0.000 0.191 216 E C 1.922 178.467 176.600 -0.092 0.000 0.985 216 E CA 1.148 57.306 56.400 -0.404 0.000 0.801 216 E CB -0.459 28.450 29.700 -1.319 0.000 0.750 216 E HN 0.483 nan 8.360 nan 0.000 0.452 217 L N -0.150 121.082 121.223 0.014 0.000 2.093 217 L HA -0.067 4.274 4.340 0.000 0.000 0.208 217 L C 2.720 179.940 176.870 0.582 0.000 1.085 217 L CA 1.185 56.209 54.840 0.306 0.000 0.755 217 L CB -0.325 41.927 42.059 0.321 0.000 0.904 217 L HN 0.096 nan 8.230 nan 0.000 0.435 218 R N -0.124 120.594 120.500 0.362 0.000 2.075 218 R HA -0.110 4.231 4.340 0.000 0.000 0.232 218 R C 2.130 178.521 176.300 0.151 0.000 1.126 218 R CA 1.308 57.485 56.100 0.129 0.000 0.963 218 R CB -0.300 29.749 30.300 -0.418 0.000 0.858 218 R HN 0.402 nan 8.270 nan 0.000 0.435 219 N N 0.048 118.839 118.700 0.152 0.000 2.120 219 N HA -0.206 4.534 4.740 0.000 0.000 0.188 219 N C 1.371 177.074 175.510 0.322 0.000 1.024 219 N CA 1.093 54.274 53.050 0.218 0.000 0.852 219 N CB -0.344 38.243 38.487 0.166 0.000 1.003 219 N HN 0.344 nan 8.380 nan 0.000 0.424 220 W N 2.143 123.563 121.300 0.200 0.000 2.388 220 W HA 0.012 4.672 4.660 0.000 0.000 0.294 220 W C 2.236 178.941 176.519 0.310 0.000 1.212 220 W CA 1.694 59.134 57.345 0.159 0.000 1.271 220 W CB -0.772 28.591 29.460 -0.162 0.000 1.126 220 W HN 0.014 nan 8.180 nan 0.000 0.535 221 G N 0.557 109.431 108.800 0.122 0.000 2.440 221 G HA2 -0.297 3.663 3.960 0.000 0.000 0.218 221 G HA3 -0.297 3.663 3.960 0.000 0.000 0.218 221 G C 1.381 176.204 174.900 -0.129 0.000 1.154 221 G CA 1.933 46.980 45.100 -0.089 0.000 0.767 221 G HN 0.268 nan 8.290 nan 0.000 0.552 222 V N -0.572 119.333 119.914 -0.015 0.000 2.323 222 V HA -0.098 4.022 4.120 0.000 0.000 0.244 222 V C 2.230 178.347 176.094 0.038 0.000 1.041 222 V CA 1.666 63.967 62.300 0.003 0.000 1.025 222 V CB -0.662 31.194 31.823 0.054 0.000 0.656 222 V HN 0.636 nan 8.190 nan 0.000 0.451 223 W N 0.187 121.457 121.300 -0.051 0.000 2.335 223 W HA -0.301 4.359 4.660 0.000 0.000 0.311 223 W C 2.546 179.030 176.519 -0.059 0.000 1.213 223 W CA 2.072 59.419 57.345 0.004 0.000 1.274 223 W CB -0.590 28.969 29.460 0.165 0.000 1.148 223 W HN 0.368 nan 8.180 nan 0.000 0.498 224 Y N 1.431 121.568 120.300 -0.271 0.000 2.128 224 Y HA -0.261 4.289 4.550 0.000 0.000 0.284 224 Y C 2.566 178.263 175.900 -0.338 0.000 1.154 224 Y CA 2.770 60.597 58.100 -0.454 0.000 1.149 224 Y CB -1.035 36.955 38.460 -0.783 0.000 0.976 224 Y HN -0.108 nan 8.280 nan 0.000 0.505 225 T N 0.881 115.299 114.554 -0.225 0.000 2.708 225 T HA -0.174 4.176 4.350 0.000 0.000 0.266 225 T C 1.652 176.175 174.700 -0.294 0.000 1.037 225 T CA 1.647 63.597 62.100 -0.249 0.000 1.146 225 T CB -0.295 68.514 68.868 -0.100 0.000 0.865 225 T HN 0.365 nan 8.240 nan 0.000 0.435 226 N N 0.659 119.199 118.700 -0.266 0.000 2.270 226 N HA -0.030 4.711 4.740 0.000 0.000 0.181 226 N C 2.018 177.326 175.510 -0.338 0.000 1.016 226 N CA 1.036 53.934 53.050 -0.253 0.000 0.870 226 N CB -0.611 37.770 38.487 -0.177 0.000 0.979 226 N HN 0.352 nan 8.380 nan 0.000 0.431 227 T N 1.123 115.356 114.554 -0.536 0.000 2.821 227 T HA 0.077 4.427 4.350 0.000 0.000 0.267 227 T C 1.902 176.347 174.700 -0.424 0.000 1.046 227 T CA 0.680 62.420 62.100 -0.600 0.000 1.139 227 T CB 0.072 68.258 68.868 -1.137 0.000 0.871 227 T HN 0.150 nan 8.240 nan 0.000 0.454 228 L N -0.280 120.686 121.223 -0.429 0.000 2.556 228 L HA 0.329 4.669 4.340 0.000 0.000 0.226 228 L C 1.643 178.337 176.870 -0.293 0.000 1.089 228 L CA 0.210 54.838 54.840 -0.354 0.000 0.864 228 L CB -0.069 41.747 42.059 -0.404 0.000 1.067 228 L HN 0.452 nan 8.230 nan 0.000 0.477 229 G N 1.599 110.229 108.800 -0.284 0.000 2.212 229 G HA2 -0.253 3.707 3.960 0.000 0.000 0.255 229 G HA3 -0.253 3.707 3.960 0.000 0.000 0.255 229 G C 0.107 174.874 174.900 -0.222 0.000 1.062 229 G CA -0.239 44.727 45.100 -0.223 0.000 0.815 229 G HN 0.190 nan 8.290 nan 0.000 0.497 230 L N -0.308 120.749 121.223 -0.277 0.000 2.483 230 L HA 0.241 4.581 4.340 0.000 0.000 0.276 230 L C 1.068 177.804 176.870 -0.224 0.000 1.213 230 L CA -0.111 54.570 54.840 -0.264 0.000 0.843 230 L CB 0.407 42.243 42.059 -0.371 0.000 1.107 230 L HN 0.103 nan 8.230 nan 0.000 0.487 231 D N 1.107 121.439 120.400 -0.113 0.000 2.389 231 D HA 0.223 4.863 4.640 0.000 0.000 0.206 231 D C 0.654 176.957 176.300 0.005 0.000 1.055 231 D CA 0.448 54.432 54.000 -0.026 0.000 0.856 231 D CB 1.388 42.227 40.800 0.065 0.000 0.957 231 D HN 0.730 nan 8.370 nan 0.000 0.509 232 G N -0.199 108.543 108.800 -0.097 0.000 2.430 232 G HA2 0.453 4.413 3.960 0.000 0.000 0.300 232 G HA3 0.453 4.413 3.960 0.000 0.000 0.300 232 G C -1.904 172.685 174.900 -0.519 0.000 1.330 232 G CA -0.809 44.068 45.100 -0.370 0.000 0.813 232 G HN -0.047 nan 8.290 nan 0.000 0.487 233 F N -0.537 119.398 119.950 -0.025 0.000 2.613 233 F HA 0.800 5.327 4.527 0.000 0.000 0.314 233 F C 0.107 175.870 175.800 -0.061 0.000 1.075 233 F CA -1.091 56.962 58.000 0.089 0.000 0.945 233 F CB 2.355 41.475 39.000 0.201 0.000 1.310 233 F HN 0.389 nan 8.300 nan 0.000 0.467 234 R N 2.811 123.439 120.500 0.214 0.000 2.388 234 R HA 0.541 4.881 4.340 0.000 0.000 0.314 234 R C -1.658 174.706 176.300 0.107 0.000 0.959 234 R CA -0.304 55.745 56.100 -0.085 0.000 0.851 234 R CB 0.635 30.543 30.300 -0.653 0.000 1.168 234 R HN 0.800 nan 8.270 nan 0.000 0.472 235 I N 3.537 124.152 120.570 0.074 0.000 2.304 235 I HA 0.132 4.302 4.170 0.000 0.000 0.291 235 I C 0.312 176.497 176.117 0.113 0.000 1.018 235 I CA -0.720 60.626 61.300 0.078 0.000 1.260 235 I CB 1.257 39.255 38.000 -0.003 0.000 1.390 235 I HN 0.472 nan 8.210 nan 0.000 0.475 236 D N 5.616 126.109 120.400 0.156 0.000 2.389 236 D HA 0.341 4.981 4.640 0.000 0.000 0.247 236 D C 0.788 177.136 176.300 0.081 0.000 1.128 236 D CA 0.330 54.433 54.000 0.172 0.000 0.884 236 D CB 0.888 41.861 40.800 0.288 0.000 1.194 236 D HN 0.785 nan 8.370 nan 0.000 0.441 237 A N 2.683 125.545 122.820 0.069 0.000 2.596 237 A HA -0.190 4.130 4.320 0.000 0.000 0.300 237 A C 1.530 179.095 177.584 -0.032 0.000 1.495 237 A CA 0.987 53.061 52.037 0.061 0.000 0.769 237 A CB -2.251 16.848 19.000 0.166 0.000 1.047 237 A HN 1.052 nan 8.150 nan 0.000 0.436 238 V N -1.335 118.504 119.914 -0.125 0.000 2.913 238 V HA -0.210 3.910 4.120 0.000 0.000 0.260 238 V C 2.053 177.974 176.094 -0.289 0.000 1.098 238 V CA 2.314 64.531 62.300 -0.138 0.000 1.121 238 V CB -0.792 30.959 31.823 -0.120 0.000 0.714 238 V HN 0.958 nan 8.190 nan 0.000 0.487 239 K N -0.536 119.418 120.400 -0.744 0.000 2.504 239 K HA -0.075 4.245 4.320 0.000 0.000 0.195 239 K C 1.454 177.705 176.600 -0.582 0.000 1.036 239 K CA 1.326 57.044 56.287 -0.947 0.000 0.984 239 K CB -0.400 31.038 32.500 -1.770 0.000 0.788 239 K HN 0.639 nan 8.250 nan 0.000 0.488 240 H N 0.204 119.148 119.070 -0.210 0.000 2.652 240 H HA 0.328 4.884 4.556 0.000 0.000 0.274 240 H C 0.023 175.338 175.328 -0.022 0.000 1.021 240 H CA -0.157 55.805 56.048 -0.143 0.000 1.187 240 H CB 0.456 30.082 29.762 -0.227 0.000 1.505 240 H HN 0.120 nan 8.280 nan 0.000 0.530 241 I N 1.553 122.195 120.570 0.120 0.000 2.474 241 I HA 0.120 4.290 4.170 0.000 0.000 0.294 241 I C 0.499 176.761 176.117 0.242 0.000 1.005 241 I CA -0.986 60.406 61.300 0.153 0.000 1.113 241 I CB 2.532 40.624 38.000 0.154 0.000 1.289 241 I HN -0.173 nan 8.210 nan 0.000 0.436 242 K N 4.861 125.368 120.400 0.177 0.000 2.441 242 K HA -0.116 4.204 4.320 0.000 0.000 0.273 242 K C 0.365 177.171 176.600 0.344 0.000 1.090 242 K CA 0.304 56.691 56.287 0.166 0.000 1.158 242 K CB 0.340 32.938 32.500 0.164 0.000 0.847 242 K HN 0.440 nan 8.250 nan 0.000 0.483 243 Y N 1.890 122.247 120.300 0.095 0.000 2.114 243 Y HA -0.282 4.269 4.550 0.000 0.000 0.282 243 Y C 2.640 178.580 175.900 0.066 0.000 1.165 243 Y CA 1.789 59.953 58.100 0.107 0.000 1.148 243 Y CB -1.142 37.317 38.460 -0.001 0.000 0.972 243 Y HN 0.800 nan 8.280 nan 0.000 0.504 244 S N -0.332 115.500 115.700 0.220 0.000 2.423 244 S HA -0.210 4.260 4.470 0.000 0.000 0.231 244 S C 1.967 176.664 174.600 0.162 0.000 1.014 244 S CA 0.899 59.184 58.200 0.141 0.000 0.965 244 S CB -1.294 61.974 63.200 0.113 0.000 0.785 244 S HN 0.376 nan 8.310 nan 0.000 0.495 245 F N 3.125 123.142 119.950 0.112 0.000 2.113 245 F HA -0.040 4.487 4.527 0.000 0.000 0.297 245 F C 2.368 178.255 175.800 0.144 0.000 1.103 245 F CA 1.926 59.994 58.000 0.114 0.000 1.248 245 F CB -1.071 37.982 39.000 0.089 0.000 0.999 245 F HN 0.166 nan 8.300 nan 0.000 0.475 246 T N 1.217 115.796 114.554 0.042 0.000 2.746 246 T HA -0.216 4.134 4.350 0.000 0.000 0.267 246 T C 2.120 176.780 174.700 -0.068 0.000 1.039 246 T CA 1.627 63.692 62.100 -0.059 0.000 1.142 246 T CB -0.419 68.535 68.868 0.143 0.000 0.866 246 T HN 0.281 nan 8.240 nan 0.000 0.444 247 R N 1.055 121.544 120.500 -0.019 0.000 2.080 247 R HA -0.152 4.188 4.340 0.000 0.000 0.236 247 R C 1.669 177.950 176.300 -0.032 0.000 1.137 247 R CA 2.023 58.110 56.100 -0.022 0.000 0.943 247 R CB -0.315 29.975 30.300 -0.016 0.000 0.846 247 R HN 0.294 nan 8.270 nan 0.000 0.431 248 D N -0.858 119.516 120.400 -0.044 0.000 2.269 248 D HA -0.152 4.489 4.640 0.000 0.000 0.208 248 D C 1.401 177.656 176.300 -0.073 0.000 0.963 248 D CA 0.702 54.677 54.000 -0.041 0.000 0.864 248 D CB -0.328 40.466 40.800 -0.011 0.000 0.936 248 D HN 0.398 nan 8.370 nan 0.000 0.505 249 W N 1.641 122.702 121.300 -0.397 0.000 2.379 249 W HA -0.044 4.616 4.660 0.000 0.000 0.307 249 W C 1.996 178.400 176.519 -0.191 0.000 1.200 249 W CA 0.933 58.028 57.345 -0.416 0.000 1.297 249 W CB -0.313 28.683 29.460 -0.773 0.000 1.140 249 W HN -0.181 nan 8.180 nan 0.000 0.507 250 I N 1.141 121.684 120.570 -0.046 0.000 2.226 250 I HA -0.372 3.798 4.170 0.000 0.000 0.245 250 I C 2.104 178.121 176.117 -0.166 0.000 1.100 250 I CA 1.457 62.675 61.300 -0.137 0.000 1.374 250 I CB -0.783 37.193 38.000 -0.041 0.000 1.057 250 I HN 0.053 nan 8.210 nan 0.000 0.413 251 N N 0.106 118.747 118.700 -0.100 0.000 2.120 251 N HA -0.238 4.502 4.740 0.000 0.000 0.188 251 N C 1.834 177.277 175.510 -0.112 0.000 1.024 251 N CA 1.485 54.488 53.050 -0.078 0.000 0.852 251 N CB -0.623 37.844 38.487 -0.033 0.000 1.003 251 N HN 0.480 nan 8.380 nan 0.000 0.424 252 H N 0.785 119.730 119.070 -0.208 0.000 2.321 252 H HA 0.008 4.564 4.556 0.000 0.000 0.300 252 H C 1.881 177.052 175.328 -0.262 0.000 1.087 252 H CA 1.703 57.623 56.048 -0.212 0.000 1.319 252 H CB -0.190 29.435 29.762 -0.227 0.000 1.379 252 H HN -0.094 nan 8.280 nan 0.000 0.501 253 V N 0.875 120.546 119.914 -0.404 0.000 2.343 253 V HA -0.246 3.874 4.120 0.000 0.000 0.247 253 V C 2.546 178.471 176.094 -0.282 0.000 1.051 253 V CA 2.250 64.303 62.300 -0.412 0.000 1.036 253 V CB -0.491 30.989 31.823 -0.572 0.000 0.654 253 V HN 0.415 nan 8.190 nan 0.000 0.451 254 R N -0.091 120.276 120.500 -0.221 0.000 2.081 254 R HA -0.118 4.223 4.340 0.000 0.000 0.235 254 R C 2.596 178.797 176.300 -0.165 0.000 1.131 254 R CA 1.720 57.727 56.100 -0.155 0.000 0.960 254 R CB -0.437 29.798 30.300 -0.108 0.000 0.856 254 R HN 0.478 nan 8.270 nan 0.000 0.436 255 S N 0.686 116.267 115.700 -0.198 0.000 2.355 255 S HA -0.101 4.369 4.470 0.000 0.000 0.222 255 S C 2.083 176.555 174.600 -0.213 0.000 1.031 255 S CA 1.163 59.254 58.200 -0.183 0.000 0.993 255 S CB -0.160 62.934 63.200 -0.175 0.000 0.859 255 S HN 0.466 nan 8.310 nan 0.000 0.453 256 A N 1.423 124.044 122.820 -0.332 0.000 1.972 256 A HA -0.101 4.219 4.320 0.000 0.000 0.219 256 A C 2.299 179.776 177.584 -0.178 0.000 1.169 256 A CA 1.975 53.838 52.037 -0.290 0.000 0.635 256 A CB -0.946 17.796 19.000 -0.431 0.000 0.810 256 A HN 0.628 nan 8.150 nan 0.000 0.446 257 T N -4.957 109.494 114.554 -0.172 0.000 3.044 257 T HA 0.395 4.745 4.350 0.000 0.000 0.250 257 T C 1.403 176.038 174.700 -0.109 0.000 1.081 257 T CA 1.057 63.080 62.100 -0.129 0.000 1.040 257 T CB 0.015 68.803 68.868 -0.133 0.000 0.962 257 T HN 1.639 nan 8.240 nan 0.000 0.506 258 G N 1.443 110.178 108.800 -0.110 0.000 2.203 258 G HA2 -0.298 3.663 3.960 0.000 0.000 0.263 258 G HA3 -0.298 3.663 3.960 0.000 0.000 0.263 258 G C -0.133 174.719 174.900 -0.080 0.000 1.012 258 G CA 0.609 45.657 45.100 -0.086 0.000 0.749 258 G HN 0.833 nan 8.290 nan 0.000 0.512 259 K N -0.321 120.024 120.400 -0.092 0.000 2.345 259 K HA 0.439 4.760 4.320 0.000 0.000 0.255 259 K C -0.090 176.462 176.600 -0.080 0.000 0.934 259 K CA -0.989 55.247 56.287 -0.085 0.000 0.801 259 K CB 0.645 33.084 32.500 -0.103 0.000 1.137 259 K HN 0.017 nan 8.250 nan 0.000 0.424 260 N N 5.215 123.881 118.700 -0.056 0.000 3.050 260 N HA 0.040 4.781 4.740 0.000 0.000 0.289 260 N C -0.501 174.990 175.510 -0.032 0.000 1.209 260 N CA -0.149 52.878 53.050 -0.038 0.000 1.154 260 N CB 0.084 38.560 38.487 -0.017 0.000 1.444 260 N HN 0.522 nan 8.380 nan 0.000 0.529 261 M N 2.039 121.593 119.600 -0.076 0.000 2.284 261 M HA -0.012 4.468 4.480 0.000 0.000 0.351 261 M C 0.283 176.541 176.300 -0.070 0.000 1.443 261 M CA 0.026 55.251 55.300 -0.126 0.000 1.031 261 M CB -0.681 31.768 32.600 -0.253 0.000 1.893 261 M HN 0.294 nan 8.290 nan 0.000 0.456 262 F N 2.907 122.750 119.950 -0.178 0.000 2.418 262 F HA 0.512 5.040 4.527 0.000 0.000 0.341 262 F C -0.304 175.349 175.800 -0.244 0.000 1.120 262 F CA -0.585 57.302 58.000 -0.188 0.000 1.232 262 F CB 0.683 39.545 39.000 -0.230 0.000 1.175 262 F HN 0.632 nan 8.300 nan 0.000 0.569 263 A N 5.768 127.828 122.820 -1.266 0.000 2.427 263 A HA 0.623 4.943 4.320 0.000 0.000 0.298 263 A C -1.883 175.142 177.584 -0.932 0.000 1.036 263 A CA -0.644 50.928 52.037 -0.777 0.000 0.701 263 A CB 1.408 20.285 19.000 -0.205 0.000 1.250 263 A HN 0.968 nan 8.150 nan 0.000 0.412 264 V N 2.509 122.058 119.914 -0.607 0.000 2.444 264 V HA 0.794 4.914 4.120 0.000 0.000 0.294 264 V C 0.142 176.085 176.094 -0.250 0.000 1.022 264 V CA 0.088 62.111 62.300 -0.460 0.000 0.850 264 V CB 1.277 32.747 31.823 -0.589 0.000 0.992 264 V HN 1.711 nan 8.190 nan 0.000 0.426 265 A N 4.968 127.767 122.820 -0.036 0.000 2.303 265 A HA 0.666 4.986 4.320 0.000 0.000 0.317 265 A C -0.040 177.621 177.584 0.127 0.000 1.149 265 A CA -0.557 51.540 52.037 0.100 0.000 0.822 265 A CB 0.998 20.197 19.000 0.332 0.000 1.131 265 A HN 0.875 nan 8.150 nan 0.000 0.493 266 E N 2.300 122.625 120.200 0.208 0.000 1.993 266 E HA 0.230 4.580 4.350 0.000 0.000 0.271 266 E C -1.798 174.884 176.600 0.136 0.000 1.008 266 E CA -0.206 56.385 56.400 0.319 0.000 0.814 266 E CB 0.255 30.123 29.700 0.281 0.000 1.098 266 E HN 0.454 nan 8.360 nan 0.000 0.407 267 F N 6.213 126.136 119.950 -0.045 0.000 2.309 267 F HA 0.197 4.725 4.527 0.000 0.000 0.366 267 F C -0.619 175.153 175.800 -0.046 0.000 1.104 267 F CA -0.940 56.936 58.000 -0.206 0.000 1.179 267 F CB 0.365 39.098 39.000 -0.446 0.000 1.437 267 F HN 0.502 nan 8.300 nan 0.000 0.528 268 W N 8.859 130.099 121.300 -0.100 0.000 2.430 268 W HA 0.329 4.989 4.660 -0.000 0.000 0.380 268 W C -1.001 175.563 176.519 0.074 0.000 1.045 268 W CA -0.427 56.937 57.345 0.030 0.000 1.547 268 W CB 0.329 29.766 29.460 -0.037 0.000 1.554 268 W HN 0.466 nan 8.180 nan 0.000 0.378 269 K N 4.217 124.617 120.400 0.000 0.000 2.561 269 K HA 0.040 4.360 4.320 0.000 0.000 0.254 269 K C -0.485 176.104 176.600 -0.018 0.000 0.942 269 K CA -0.556 55.786 56.287 0.092 0.000 0.818 269 K CB 0.978 33.656 32.500 0.296 0.000 1.306 269 K HN 0.086 nan 8.250 nan 0.000 0.435 270 N N 3.227 121.881 118.700 -0.076 0.000 3.178 270 N HA 0.047 4.787 4.740 0.000 0.000 0.300 270 N C -1.637 173.851 175.510 -0.037 0.000 1.242 270 N CA 0.143 53.131 53.050 -0.103 0.000 1.192 270 N CB 0.180 38.447 38.487 -0.367 0.000 1.463 270 N HN 0.517 nan 8.380 nan 0.000 0.539 271 D N 1.799 122.203 120.400 0.006 0.000 2.354 271 D HA 0.012 4.652 4.640 0.000 0.000 0.230 271 D C 0.666 176.966 176.300 -0.001 0.000 1.361 271 D CA -0.567 53.444 54.000 0.019 0.000 0.992 271 D CB 0.596 41.427 40.800 0.053 0.000 1.409 271 D HN 0.128 nan 8.370 nan 0.000 0.573 272 L N 4.019 125.246 121.223 0.006 0.000 2.079 272 L HA 0.116 4.456 4.340 0.000 0.000 0.210 272 L C 2.038 178.900 176.870 -0.014 0.000 1.081 272 L CA 2.762 57.604 54.840 0.003 0.000 0.752 272 L CB -0.574 41.505 42.059 0.034 0.000 0.896 272 L HN 0.548 nan 8.230 nan 0.000 0.433 273 G N -1.094 107.708 108.800 0.004 0.000 2.446 273 G HA2 -0.280 3.680 3.960 0.000 0.000 0.217 273 G HA3 -0.280 3.680 3.960 0.000 0.000 0.217 273 G C 1.608 176.487 174.900 -0.035 0.000 1.168 273 G CA 0.900 46.004 45.100 0.007 0.000 0.771 273 G HN 0.652 nan 8.290 nan 0.000 0.551 274 A N 0.677 123.473 122.820 -0.040 0.000 1.902 274 A HA 0.052 4.372 4.320 0.000 0.000 0.217 274 A C 2.413 179.747 177.584 -0.416 0.000 1.181 274 A CA 1.340 53.332 52.037 -0.075 0.000 0.623 274 A CB -0.347 18.707 19.000 0.089 0.000 0.818 274 A HN 0.387 nan 8.150 nan 0.000 0.443 275 I N -0.493 119.778 120.570 -0.499 0.000 2.252 275 I HA -0.237 3.933 4.170 0.000 0.000 0.245 275 I C 2.472 178.320 176.117 -0.448 0.000 1.102 275 I CA 1.414 62.299 61.300 -0.691 0.000 1.385 275 I CB -0.422 37.344 38.000 -0.390 0.000 1.064 275 I HN 0.417 nan 8.210 nan 0.000 0.414 276 E N 0.652 120.699 120.200 -0.256 0.000 2.077 276 E HA -0.267 4.083 4.350 0.000 0.000 0.193 276 E C 1.819 178.222 176.600 -0.327 0.000 0.989 276 E CA 1.479 57.738 56.400 -0.236 0.000 0.800 276 E CB -0.250 29.455 29.700 0.008 0.000 0.746 276 E HN 0.417 nan 8.360 nan 0.000 0.452 277 N N 0.453 119.023 118.700 -0.216 0.000 2.104 277 N HA -0.238 4.502 4.740 0.000 0.000 0.190 277 N C 1.731 177.083 175.510 -0.264 0.000 1.024 277 N CA 1.242 54.202 53.050 -0.150 0.000 0.853 277 N CB -0.314 38.169 38.487 -0.007 0.000 1.008 277 N HN 0.191 nan 8.380 nan 0.000 0.424 278 Y N 0.753 120.727 120.300 -0.544 0.000 2.181 278 Y HA -0.075 4.475 4.550 0.000 0.000 0.288 278 Y C 1.932 177.397 175.900 -0.725 0.000 1.146 278 Y CA 1.523 59.163 58.100 -0.767 0.000 1.164 278 Y CB -0.382 37.493 38.460 -0.976 0.000 0.982 278 Y HN 0.121 nan 8.280 nan 0.000 0.515 279 L N -0.097 120.589 121.223 -0.894 0.000 2.046 279 L HA -0.270 4.070 4.340 0.000 0.000 0.208 279 L C 2.516 178.435 176.870 -1.585 0.000 1.077 279 L CA 1.755 55.777 54.840 -1.363 0.000 0.747 279 L CB -0.621 40.406 42.059 -1.720 0.000 0.896 279 L HN 0.318 nan 8.230 nan 0.000 0.432 280 Q N -0.354 118.765 119.800 -1.135 0.000 2.079 280 Q HA -0.159 4.181 4.340 0.000 0.000 0.200 280 Q C 2.124 177.880 176.000 -0.406 0.000 0.974 280 Q CA 0.953 56.371 55.803 -0.642 0.000 0.840 280 Q CB -0.039 28.573 28.738 -0.209 0.000 0.898 280 Q HN 0.299 nan 8.270 nan 0.000 0.430 281 K N 0.371 120.548 120.400 -0.372 0.000 2.283 281 K HA -0.058 4.262 4.320 0.000 0.000 0.202 281 K C 1.840 178.284 176.600 -0.260 0.000 1.048 281 K CA 1.387 57.550 56.287 -0.206 0.000 0.948 281 K CB -0.184 32.301 32.500 -0.026 0.000 0.742 281 K HN 0.367 nan 8.250 nan 0.000 0.458 282 T N -1.457 112.802 114.554 -0.492 0.000 3.163 282 T HA 0.122 4.472 4.350 0.000 0.000 0.252 282 T C 0.327 174.872 174.700 -0.258 0.000 1.056 282 T CA -0.429 61.443 62.100 -0.379 0.000 0.947 282 T CB -0.233 68.311 68.868 -0.540 0.000 1.016 282 T HN 0.077 nan 8.240 nan 0.000 0.554 283 N N 1.193 119.740 118.700 -0.254 0.000 2.725 283 N HA -0.188 4.552 4.740 0.000 0.000 0.249 283 N C -0.742 174.818 175.510 0.084 0.000 1.103 283 N CA 1.036 54.059 53.050 -0.044 0.000 0.707 283 N CB -1.777 36.727 38.487 0.028 0.000 1.043 283 N HN 0.830 nan 8.380 nan 0.000 0.553 284 W N -1.399 119.775 121.300 -0.209 0.000 5.271 284 W HA -0.251 4.409 4.660 0.000 0.000 0.364 284 W C 1.204 177.757 176.519 0.058 0.000 1.342 284 W CA 0.775 58.005 57.345 -0.190 0.000 0.899 284 W CB -2.404 26.904 29.460 -0.253 0.000 2.450 284 W HN 0.438 nan 8.180 nan 0.000 1.508 285 N N 0.897 119.684 118.700 0.145 0.000 2.461 285 N HA -0.104 4.636 4.740 0.000 0.000 0.188 285 N C 0.561 176.196 175.510 0.208 0.000 1.134 285 N CA 1.809 54.966 53.050 0.178 0.000 0.878 285 N CB -0.350 38.212 38.487 0.125 0.000 0.972 285 N HN 0.557 nan 8.380 nan 0.000 0.456 286 H N -3.609 115.480 119.070 0.032 0.000 2.981 286 H HA 0.502 5.059 4.556 0.000 0.000 0.327 286 H C -1.330 174.008 175.328 0.017 0.000 1.342 286 H CA -0.751 55.255 56.048 -0.070 0.000 1.123 286 H CB 0.424 30.106 29.762 -0.133 0.000 1.851 286 H HN -0.136 nan 8.280 nan 0.000 0.531 287 S N -0.088 115.546 115.700 -0.111 0.000 2.707 287 S HA 0.613 5.083 4.470 0.000 0.000 0.276 287 S C 0.179 174.726 174.600 -0.087 0.000 1.179 287 S CA -0.122 58.045 58.200 -0.054 0.000 0.992 287 S CB 1.398 64.618 63.200 0.034 0.000 1.030 287 S HN 0.676 nan 8.310 nan 0.000 0.554 288 V N -1.075 118.815 119.914 -0.040 0.000 3.007 288 V HA 0.674 4.794 4.120 0.000 0.000 0.311 288 V C -1.210 174.870 176.094 -0.023 0.000 1.120 288 V CA -1.143 61.130 62.300 -0.046 0.000 0.980 288 V CB 0.927 32.757 31.823 0.012 0.000 1.033 288 V HN 0.635 nan 8.190 nan 0.000 0.429 289 F N 1.478 121.485 119.950 0.094 0.000 2.484 289 F HA 0.324 4.851 4.527 0.000 0.000 0.360 289 F C 1.119 177.051 175.800 0.220 0.000 1.101 289 F CA 0.183 58.271 58.000 0.146 0.000 1.251 289 F CB 0.448 39.429 39.000 -0.032 0.000 1.132 289 F HN 0.706 nan 8.300 nan 0.000 0.570 290 D N 3.631 124.345 120.400 0.524 0.000 2.551 290 D HA 0.079 4.719 4.640 0.000 0.000 0.223 290 D C 1.129 177.584 176.300 0.258 0.000 1.144 290 D CA 0.193 54.378 54.000 0.309 0.000 1.025 290 D CB 0.300 41.240 40.800 0.234 0.000 1.085 290 D HN 0.297 nan 8.370 nan 0.000 0.506 291 V N 4.065 124.094 119.914 0.193 0.000 2.343 291 V HA -0.166 3.955 4.120 0.000 0.000 0.247 291 V C -0.664 175.443 176.094 0.022 0.000 1.051 291 V CA 1.412 63.686 62.300 -0.044 0.000 1.036 291 V CB -1.081 30.507 31.823 -0.392 0.000 0.654 291 V HN 0.422 nan 8.190 nan 0.000 0.451 292 P HA -0.148 nan 4.420 nan 0.000 0.215 292 P C 1.936 179.276 177.300 0.067 0.000 1.153 292 P CA 1.113 64.276 63.100 0.105 0.000 0.853 292 P CB -0.069 31.674 31.700 0.072 0.000 0.788 293 L N -0.744 120.490 121.223 0.018 0.000 2.046 293 L HA -0.189 4.151 4.340 0.000 0.000 0.208 293 L C 2.397 179.151 176.870 -0.193 0.000 1.077 293 L CA 2.020 56.828 54.840 -0.053 0.000 0.747 293 L CB -1.569 40.486 42.059 -0.007 0.000 0.896 293 L HN 0.029 nan 8.230 nan 0.000 0.432 294 H N -1.712 117.113 119.070 -0.408 0.000 2.352 294 H HA -0.247 4.309 4.556 0.000 0.000 0.299 294 H C 1.861 176.957 175.328 -0.387 0.000 1.097 294 H CA 2.479 58.158 56.048 -0.616 0.000 1.311 294 H CB -0.448 28.735 29.762 -0.966 0.000 1.377 294 H HN 0.468 nan 8.280 nan 0.000 0.504 295 Y N 0.160 120.262 120.300 -0.330 0.000 2.293 295 Y HA -0.119 4.431 4.550 0.000 0.000 0.291 295 Y C 2.338 178.133 175.900 -0.175 0.000 1.137 295 Y CA 1.206 59.171 58.100 -0.224 0.000 1.202 295 Y CB -0.271 38.163 38.460 -0.045 0.000 0.990 295 Y HN 0.318 nan 8.280 nan 0.000 0.537 296 N N -0.010 118.658 118.700 -0.054 0.000 2.106 296 N HA -0.139 4.601 4.740 0.000 0.000 0.188 296 N C 1.869 177.133 175.510 -0.411 0.000 1.029 296 N CA 1.222 54.194 53.050 -0.129 0.000 0.848 296 N CB -0.644 37.801 38.487 -0.069 0.000 1.007 296 N HN 0.289 nan 8.380 nan 0.000 0.423 297 L N -0.534 120.466 121.223 -0.371 0.000 2.017 297 L HA -0.204 4.136 4.340 0.000 0.000 0.208 297 L C 2.282 178.842 176.870 -0.516 0.000 1.073 297 L CA 1.318 55.931 54.840 -0.377 0.000 0.745 297 L CB -0.656 41.254 42.059 -0.249 0.000 0.894 297 L HN 0.207 nan 8.230 nan 0.000 0.432 298 Y N 1.213 121.169 120.300 -0.573 0.000 2.097 298 Y HA -0.292 4.258 4.550 0.000 0.000 0.282 298 Y C 2.604 178.271 175.900 -0.388 0.000 1.152 298 Y CA 1.829 59.645 58.100 -0.473 0.000 1.136 298 Y CB -0.168 38.001 38.460 -0.486 0.000 0.975 298 Y HN 0.194 nan 8.280 nan 0.000 0.498 299 N N 0.679 119.125 118.700 -0.424 0.000 2.166 299 N HA -0.192 4.548 4.740 0.000 0.000 0.186 299 N C 1.936 177.117 175.510 -0.548 0.000 1.019 299 N CA 1.379 54.181 53.050 -0.413 0.000 0.856 299 N CB -0.655 37.794 38.487 -0.062 0.000 0.993 299 N HN 0.572 nan 8.380 nan 0.000 0.426 300 A N 0.875 123.105 122.820 -0.984 0.000 1.902 300 A HA -0.134 4.186 4.320 0.000 0.000 0.217 300 A C 2.372 179.359 177.584 -0.995 0.000 1.181 300 A CA 2.006 53.300 52.037 -1.239 0.000 0.623 300 A CB -0.738 17.238 19.000 -1.708 0.000 0.818 300 A HN 0.459 nan 8.150 nan 0.000 0.443 301 S N -1.134 113.846 115.700 -1.201 0.000 2.481 301 S HA -0.023 4.447 4.470 0.000 0.000 0.231 301 S C 1.436 175.932 174.600 -0.174 0.000 0.996 301 S CA 1.111 58.810 58.200 -0.834 0.000 0.942 301 S CB -0.055 62.703 63.200 -0.737 0.000 0.768 301 S HN 0.398 nan 8.310 nan 0.000 0.520 302 K N 1.014 121.226 120.400 -0.313 0.000 2.358 302 K HA 0.352 4.672 4.320 0.000 0.000 0.197 302 K C 0.948 177.509 176.600 -0.065 0.000 1.025 302 K CA 0.183 56.362 56.287 -0.180 0.000 1.104 302 K CB 0.228 32.493 32.500 -0.392 0.000 0.855 302 K HN 0.354 nan 8.250 nan 0.000 0.531 303 S N 0.260 115.942 115.700 -0.030 0.000 2.605 303 S HA 0.094 4.564 4.470 0.000 0.000 0.217 303 S C 1.064 175.708 174.600 0.073 0.000 0.958 303 S CA 0.414 58.639 58.200 0.042 0.000 0.919 303 S CB 0.227 63.492 63.200 0.109 0.000 0.780 303 S HN 0.515 nan 8.310 nan 0.000 0.507 304 G N 1.319 110.168 108.800 0.082 0.000 2.321 304 G HA2 -0.159 3.801 3.960 0.000 0.000 0.287 304 G HA3 -0.159 3.801 3.960 0.000 0.000 0.287 304 G C 0.971 175.878 174.900 0.012 0.000 1.018 304 G CA 0.368 45.460 45.100 -0.012 0.000 0.855 304 G HN 1.272 nan 8.290 nan 0.000 0.507 305 G N -1.313 107.575 108.800 0.146 0.000 2.213 305 G HA2 -0.287 3.673 3.960 0.000 0.000 0.236 305 G HA3 -0.287 3.673 3.960 0.000 0.000 0.236 305 G C 0.777 175.791 174.900 0.189 0.000 0.991 305 G CA 0.724 45.934 45.100 0.184 0.000 0.629 305 G HN 0.777 nan 8.290 nan 0.000 0.517 306 N N -0.277 118.511 118.700 0.146 0.000 2.398 306 N HA 0.175 4.915 4.740 0.000 0.000 0.188 306 N C 0.315 175.899 175.510 0.123 0.000 1.122 306 N CA -0.120 52.998 53.050 0.114 0.000 0.866 306 N CB -0.070 38.450 38.487 0.055 0.000 0.970 306 N HN 0.604 nan 8.380 nan 0.000 0.462 307 Y N 1.383 121.712 120.300 0.049 0.000 2.346 307 Y HA 0.064 4.614 4.550 -0.000 0.000 0.330 307 Y C 0.361 176.302 175.900 0.068 0.000 1.178 307 Y CA -0.478 57.634 58.100 0.021 0.000 1.331 307 Y CB 0.596 39.035 38.460 -0.035 0.000 1.253 307 Y HN -0.087 nan 8.280 nan 0.000 0.529 308 D N 6.632 126.829 120.400 -0.339 0.000 2.402 308 D HA 0.031 4.671 4.640 0.000 0.000 0.235 308 D C 0.836 177.152 176.300 0.026 0.000 1.226 308 D CA -0.014 53.920 54.000 -0.109 0.000 0.918 308 D CB 0.505 41.197 40.800 -0.180 0.000 1.043 308 D HN 0.651 nan 8.370 nan 0.000 0.506 309 M N 2.676 122.429 119.600 0.256 0.000 2.435 309 M HA -0.142 4.339 4.480 0.000 0.000 0.262 309 M C 1.624 178.071 176.300 0.245 0.000 1.065 309 M CA 0.983 56.480 55.300 0.328 0.000 1.076 309 M CB -0.484 32.303 32.600 0.312 0.000 1.403 309 M HN 0.366 nan 8.290 nan 0.000 0.454 310 R N 0.210 120.818 120.500 0.180 0.000 2.189 310 R HA -0.073 4.267 4.340 0.000 0.000 0.223 310 R C 0.893 177.280 176.300 0.146 0.000 1.092 310 R CA 0.787 56.989 56.100 0.169 0.000 0.989 310 R CB -0.179 30.199 30.300 0.129 0.000 0.876 310 R HN 0.453 nan 8.270 nan 0.000 0.457 311 N N 0.291 119.052 118.700 0.102 0.000 2.235 311 N HA -0.006 4.734 4.740 0.000 0.000 0.209 311 N C 1.115 176.715 175.510 0.150 0.000 1.122 311 N CA 0.069 53.169 53.050 0.082 0.000 0.845 311 N CB 0.371 38.836 38.487 -0.037 0.000 1.004 311 N HN 0.082 nan 8.380 nan 0.000 0.499 312 I N 0.025 120.706 120.570 0.184 0.000 2.315 312 I HA -0.190 3.980 4.170 0.000 0.000 0.251 312 I C 0.907 176.897 176.117 -0.211 0.000 1.125 312 I CA 1.501 62.818 61.300 0.029 0.000 1.392 312 I CB -0.125 37.772 38.000 -0.173 0.000 1.065 312 I HN -0.002 nan 8.210 nan 0.000 0.424 313 F N -0.389 119.617 119.950 0.093 0.000 2.695 313 F HA 0.209 4.736 4.527 0.000 0.000 0.303 313 F C 0.832 176.653 175.800 0.035 0.000 1.091 313 F CA -0.668 57.354 58.000 0.038 0.000 1.300 313 F CB -0.385 38.612 39.000 -0.006 0.000 1.071 313 F HN -0.070 nan 8.300 nan 0.000 0.578 314 N N 0.662 119.471 118.700 0.182 0.000 2.492 314 N HA 0.231 4.971 4.740 0.000 0.000 0.262 314 N C 1.188 176.757 175.510 0.097 0.000 1.202 314 N CA 1.099 54.220 53.050 0.119 0.000 0.926 314 N CB 0.669 39.205 38.487 0.081 0.000 1.078 314 N HN 0.346 nan 8.380 nan 0.000 0.454 315 G N 0.188 109.033 108.800 0.074 0.000 2.155 315 G HA2 -0.295 3.666 3.960 0.000 0.000 0.257 315 G HA3 -0.295 3.666 3.960 0.000 0.000 0.257 315 G C 0.291 175.234 174.900 0.072 0.000 0.983 315 G CA 0.932 46.068 45.100 0.061 0.000 0.676 315 G HN 0.873 nan 8.290 nan 0.000 0.528 316 T N -2.979 111.633 114.554 0.097 0.000 2.934 316 T HA 0.653 5.003 4.350 0.000 0.000 0.283 316 T C 1.444 176.203 174.700 0.099 0.000 1.005 316 T CA -0.017 62.151 62.100 0.113 0.000 1.041 316 T CB 2.177 71.152 68.868 0.178 0.000 1.042 316 T HN 0.449 nan 8.240 nan 0.000 0.505 317 V N 1.939 121.924 119.914 0.117 0.000 2.453 317 V HA -0.087 4.033 4.120 0.000 0.000 0.247 317 V C 2.715 178.889 176.094 0.132 0.000 1.048 317 V CA 1.420 63.804 62.300 0.140 0.000 1.049 317 V CB -0.685 31.234 31.823 0.160 0.000 0.672 317 V HN 0.807 nan 8.190 nan 0.000 0.457 318 V N -0.263 119.726 119.914 0.125 0.000 2.490 318 V HA -0.303 3.817 4.120 0.000 0.000 0.250 318 V C 2.379 178.459 176.094 -0.022 0.000 1.061 318 V CA 2.618 64.961 62.300 0.073 0.000 1.064 318 V CB -0.042 31.827 31.823 0.076 0.000 0.670 318 V HN 0.692 nan 8.190 nan 0.000 0.461 319 Q N -0.533 119.259 119.800 -0.014 0.000 2.049 319 Q HA -0.223 4.117 4.340 0.000 0.000 0.198 319 Q C 2.410 178.350 176.000 -0.100 0.000 0.971 319 Q CA 1.795 57.550 55.803 -0.080 0.000 0.833 319 Q CB -0.064 28.675 28.738 0.001 0.000 0.896 319 Q HN 0.556 nan 8.270 nan 0.000 0.434 320 R N -0.550 119.883 120.500 -0.113 0.000 2.062 320 R HA -0.013 4.327 4.340 0.000 0.000 0.226 320 R C 0.201 176.203 176.300 -0.495 0.000 1.125 320 R CA 1.315 57.229 56.100 -0.310 0.000 0.966 320 R CB 0.342 30.441 30.300 -0.335 0.000 0.861 320 R HN 0.263 nan 8.270 nan 0.000 0.433 321 H N 0.055 119.172 119.070 0.079 0.000 2.380 321 H HA 0.227 4.784 4.556 0.000 0.000 0.231 321 H C -2.013 173.400 175.328 0.142 0.000 1.415 321 H CA -1.980 54.139 56.048 0.119 0.000 1.433 321 H CB 1.431 31.332 29.762 0.232 0.000 1.544 321 H HN 0.251 nan 8.280 nan 0.000 0.503 322 P HA -0.204 nan 4.420 nan 0.000 0.216 322 P C 1.578 178.961 177.300 0.137 0.000 1.150 322 P CA 1.423 64.580 63.100 0.094 0.000 0.843 322 P CB 0.284 31.988 31.700 0.007 0.000 0.787 323 S N -1.451 114.355 115.700 0.177 0.000 2.447 323 S HA -0.140 4.330 4.470 0.000 0.000 0.233 323 S C 1.293 175.934 174.600 0.068 0.000 1.006 323 S CA 0.826 59.099 58.200 0.122 0.000 0.957 323 S CB -1.291 61.982 63.200 0.122 0.000 0.773 323 S HN 0.272 nan 8.310 nan 0.000 0.507 324 H N 1.083 120.261 119.070 0.180 0.000 2.528 324 H HA 0.687 5.243 4.556 0.000 0.000 0.282 324 H C 0.259 175.679 175.328 0.152 0.000 1.097 324 H CA 0.054 56.205 56.048 0.173 0.000 1.121 324 H CB 0.367 30.246 29.762 0.194 0.000 1.590 324 H HN 0.533 nan 8.280 nan 0.000 0.553 325 A N 0.812 123.782 122.820 0.250 0.000 2.304 325 A HA 0.584 4.904 4.320 0.000 0.000 0.323 325 A C -0.665 177.058 177.584 0.232 0.000 1.195 325 A CA -0.584 51.585 52.037 0.220 0.000 0.826 325 A CB 0.897 20.019 19.000 0.203 0.000 1.184 325 A HN 0.138 nan 8.150 nan 0.000 0.496 326 V N 3.343 123.383 119.914 0.210 0.000 2.334 326 V HA 0.381 4.501 4.120 0.000 0.000 0.281 326 V C 0.453 176.777 176.094 0.383 0.000 1.016 326 V CA -0.214 62.217 62.300 0.218 0.000 0.832 326 V CB 1.326 33.123 31.823 -0.043 0.000 0.999 326 V HN 1.018 nan 8.190 nan 0.000 0.439 327 T N 3.406 118.166 114.554 0.344 0.000 2.817 327 T HA 0.730 5.080 4.350 0.000 0.000 0.293 327 T C -0.655 174.293 174.700 0.414 0.000 0.964 327 T CA -0.400 61.904 62.100 0.339 0.000 1.085 327 T CB 0.747 69.742 68.868 0.212 0.000 0.921 327 T HN 0.521 nan 8.240 nan 0.000 0.502 328 F N 0.832 120.885 119.950 0.172 0.000 2.599 328 F HA 0.752 5.279 4.527 0.000 0.000 0.311 328 F C -0.054 175.743 175.800 -0.005 0.000 1.076 328 F CA -1.709 56.358 58.000 0.113 0.000 0.937 328 F CB 0.752 39.829 39.000 0.128 0.000 1.282 328 F HN 0.249 nan 8.300 nan 0.000 0.460 329 V N -0.116 119.692 119.914 -0.176 0.000 2.492 329 V HA 0.169 4.289 4.120 0.000 0.000 0.241 329 V C -0.055 175.970 176.094 -0.115 0.000 1.041 329 V CA 1.221 63.316 62.300 -0.342 0.000 1.057 329 V CB -0.343 31.088 31.823 -0.653 0.000 0.711 329 V HN 0.829 nan 8.190 nan 0.000 0.468 330 D N -1.044 119.396 120.400 0.066 0.000 2.599 330 D HA 0.420 5.060 4.640 0.000 0.000 0.252 330 D C -1.256 174.822 176.300 -0.370 0.000 1.232 330 D CA -0.245 53.755 54.000 -0.001 0.000 0.819 330 D CB 2.586 43.428 40.800 0.070 0.000 1.401 330 D HN 0.399 nan 8.370 nan 0.000 0.429 331 N N -1.809 116.455 118.700 -0.727 0.000 3.316 331 N HA 0.087 4.828 4.740 0.000 0.000 0.300 331 N C 0.787 175.734 175.510 -0.938 0.000 1.567 331 N CA -0.446 51.880 53.050 -1.206 0.000 0.821 331 N CB 0.104 38.199 38.487 -0.654 0.000 1.748 331 N HN 0.373 nan 8.380 nan 0.000 0.603 332 H N -1.793 116.972 119.070 -0.509 0.000 2.521 332 H HA 0.101 4.657 4.556 0.000 0.000 0.286 332 H C -0.457 174.782 175.328 -0.149 0.000 1.034 332 H CA 1.110 57.127 56.048 -0.051 0.000 1.278 332 H CB -0.118 29.759 29.762 0.192 0.000 1.386 332 H HN 0.515 nan 8.280 nan 0.000 0.567 333 D N 0.654 120.565 120.400 -0.815 0.000 2.338 333 D HA -0.048 4.592 4.640 0.000 0.000 0.208 333 D C 2.013 177.963 176.300 -0.583 0.000 0.997 333 D CA 1.193 54.728 54.000 -0.775 0.000 0.880 333 D CB 0.236 40.406 40.800 -1.051 0.000 0.980 333 D HN 0.533 nan 8.370 nan 0.000 0.509 334 S N 0.131 115.550 115.700 -0.469 0.000 2.548 334 S HA -0.029 4.441 4.470 0.000 0.000 0.215 334 S C 1.023 175.602 174.600 -0.036 0.000 0.976 334 S CA -0.408 57.656 58.200 -0.227 0.000 0.908 334 S CB -0.150 62.943 63.200 -0.179 0.000 0.781 334 S HN 0.277 nan 8.310 nan 0.000 0.519 335 Q N 1.224 120.959 119.800 -0.109 0.000 2.492 335 Q HA 0.367 4.707 4.340 0.000 0.000 0.238 335 Q C -2.778 173.008 176.000 -0.357 0.000 1.045 335 Q CA -1.926 53.717 55.803 -0.267 0.000 0.934 335 Q CB -0.847 27.838 28.738 -0.088 0.000 1.276 335 Q HN 0.056 nan 8.270 nan 0.000 0.521 336 P HA -0.168 nan 4.420 nan 0.000 0.261 336 P C -0.568 176.545 177.300 -0.311 0.000 1.173 336 P CA 0.837 63.715 63.100 -0.369 0.000 0.760 336 P CB 0.307 31.770 31.700 -0.395 0.000 0.783 337 E N -1.082 119.036 120.200 -0.138 0.000 3.975 337 E HA -0.206 4.144 4.350 0.000 0.000 0.342 337 E C 0.202 176.735 176.600 -0.112 0.000 0.677 337 E CA 1.286 57.650 56.400 -0.059 0.000 1.238 337 E CB -1.130 28.600 29.700 0.051 0.000 1.665 337 E HN 0.555 nan 8.360 nan 0.000 0.429 338 E N -0.282 119.790 120.200 -0.212 0.000 2.342 338 E HA 0.459 4.809 4.350 0.000 0.000 0.257 338 E C 1.450 177.848 176.600 -0.337 0.000 1.150 338 E CA 0.593 56.767 56.400 -0.376 0.000 0.926 338 E CB 0.438 29.828 29.700 -0.515 0.000 1.074 338 E HN 0.120 nan 8.360 nan 0.000 0.449 339 A N 1.363 123.928 122.820 -0.425 0.000 1.940 339 A HA -0.196 4.124 4.320 0.000 0.000 0.221 339 A C 1.607 179.018 177.584 -0.289 0.000 1.190 339 A CA 1.720 53.553 52.037 -0.341 0.000 0.647 339 A CB -0.386 18.378 19.000 -0.394 0.000 0.821 339 A HN 0.464 nan 8.150 nan 0.000 0.457 340 L N -0.503 120.499 121.223 -0.369 0.000 3.141 340 L HA 0.206 4.546 4.340 0.000 0.000 0.267 340 L C 0.336 177.093 176.870 -0.189 0.000 1.281 340 L CA -0.458 54.210 54.840 -0.287 0.000 1.037 340 L CB 0.030 41.747 42.059 -0.570 0.000 1.407 340 L HN 0.464 nan 8.230 nan 0.000 0.566 341 E N 2.151 122.247 120.200 -0.173 0.000 2.966 341 E HA -0.102 4.248 4.350 0.000 0.000 0.254 341 E C 0.004 176.527 176.600 -0.128 0.000 0.923 341 E CA 0.723 57.052 56.400 -0.119 0.000 0.960 341 E CB 0.380 30.033 29.700 -0.079 0.000 0.901 341 E HN 0.375 nan 8.360 nan 0.000 0.525 342 S N 4.456 120.050 115.700 -0.177 0.000 2.631 342 S HA 0.100 4.570 4.470 0.000 0.000 0.159 342 S C -0.628 173.818 174.600 -0.257 0.000 0.896 342 S CA -0.758 56.984 58.200 -0.763 0.000 1.022 342 S CB -0.839 61.870 63.200 -0.819 0.000 1.722 342 S HN 0.450 nan 8.310 nan 0.000 0.520 343 F N 2.417 122.361 119.950 -0.011 0.000 2.506 343 F HA 0.407 4.934 4.527 0.000 0.000 0.371 343 F C 0.579 176.552 175.800 0.289 0.000 1.078 343 F CA -0.495 57.600 58.000 0.159 0.000 1.195 343 F CB 0.763 39.847 39.000 0.141 0.000 1.099 343 F HN 0.231 nan 8.300 nan 0.000 0.548 344 V N 6.565 126.406 119.914 -0.122 0.000 2.493 344 V HA -0.076 4.044 4.120 0.000 0.000 0.292 344 V C 0.359 176.332 176.094 -0.201 0.000 1.016 344 V CA -0.234 61.976 62.300 -0.150 0.000 1.097 344 V CB 0.137 31.827 31.823 -0.221 0.000 0.947 344 V HN 0.681 nan 8.190 nan 0.000 0.479 345 E N 3.513 123.660 120.200 -0.089 0.000 2.481 345 E HA -0.088 4.262 4.350 0.000 0.000 0.263 345 E C 1.138 177.709 176.600 -0.049 0.000 0.992 345 E CA 0.156 56.566 56.400 0.017 0.000 0.938 345 E CB 0.716 30.510 29.700 0.156 0.000 0.933 345 E HN 0.778 nan 8.360 nan 0.000 0.453 346 E N 4.269 124.530 120.200 0.103 0.000 2.114 346 E HA -0.223 4.127 4.350 0.000 0.000 0.199 346 E C 1.731 178.393 176.600 0.102 0.000 1.008 346 E CA 1.859 58.322 56.400 0.105 0.000 0.810 346 E CB -0.094 29.710 29.700 0.174 0.000 0.739 346 E HN 0.807 nan 8.360 nan 0.000 0.456 347 W N -0.224 121.127 121.300 0.086 0.000 2.374 347 W HA -0.174 4.486 4.660 0.000 0.000 0.288 347 W C 1.551 178.132 176.519 0.104 0.000 1.218 347 W CA 0.274 57.668 57.345 0.081 0.000 1.245 347 W CB -1.047 28.463 29.460 0.082 0.000 1.126 347 W HN 0.082 nan 8.180 nan 0.000 0.545 348 F N 2.306 121.614 119.950 -1.070 0.000 2.664 348 F HA 0.146 4.673 4.527 -0.000 0.000 0.296 348 F C 2.571 178.071 175.800 -0.500 0.000 1.125 348 F CA 1.167 58.519 58.000 -1.080 0.000 1.444 348 F CB -0.345 37.776 39.000 -1.466 0.000 1.114 348 F HN -0.250 nan 8.300 nan 0.000 0.576 349 K N 0.875 121.123 120.400 -0.253 0.000 2.074 349 K HA -0.168 4.152 4.320 0.000 0.000 0.209 349 K C -0.927 175.621 176.600 -0.086 0.000 1.048 349 K CA 2.054 58.258 56.287 -0.139 0.000 0.926 349 K CB -1.103 31.386 32.500 -0.018 0.000 0.713 349 K HN 0.150 nan 8.250 nan 0.000 0.444 350 P HA -0.124 nan 4.420 nan 0.000 0.217 350 P C 0.863 178.072 177.300 -0.152 0.000 1.150 350 P CA 0.994 64.063 63.100 -0.051 0.000 0.832 350 P CB 0.111 31.773 31.700 -0.063 0.000 0.787 351 L N -0.615 120.370 121.223 -0.397 0.000 2.056 351 L HA -0.114 4.226 4.340 0.000 0.000 0.207 351 L C 2.509 179.100 176.870 -0.466 0.000 1.078 351 L CA 1.966 56.496 54.840 -0.516 0.000 0.749 351 L CB -1.808 39.667 42.059 -0.973 0.000 0.901 351 L HN -0.100 nan 8.230 nan 0.000 0.433 352 A N -1.334 121.128 122.820 -0.596 0.000 1.883 352 A HA -0.255 4.066 4.320 0.000 0.000 0.217 352 A C 2.207 179.645 177.584 -0.244 0.000 1.186 352 A CA 1.707 53.514 52.037 -0.383 0.000 0.624 352 A CB -1.009 17.780 19.000 -0.353 0.000 0.822 352 A HN 0.407 nan 8.150 nan 0.000 0.444 353 Y N -0.224 120.022 120.300 -0.090 0.000 2.352 353 Y HA 0.001 4.551 4.550 0.000 0.000 0.292 353 Y C 2.797 178.719 175.900 0.037 0.000 1.136 353 Y CA 0.621 58.718 58.100 -0.005 0.000 1.227 353 Y CB -0.373 38.087 38.460 -0.000 0.000 0.991 353 Y HN 0.344 nan 8.280 nan 0.000 0.545 354 A N -0.460 122.451 122.820 0.153 0.000 1.929 354 A HA -0.091 4.229 4.320 0.000 0.000 0.216 354 A C 2.144 179.947 177.584 0.365 0.000 1.176 354 A CA 1.092 53.248 52.037 0.198 0.000 0.628 354 A CB -0.915 18.142 19.000 0.095 0.000 0.816 354 A HN 0.451 nan 8.150 nan 0.000 0.444 355 L N -0.022 121.373 121.223 0.286 0.000 2.201 355 L HA -0.139 4.201 4.340 0.000 0.000 0.212 355 L C 2.836 179.818 176.870 0.185 0.000 1.105 355 L CA 1.759 56.772 54.840 0.288 0.000 0.775 355 L CB -0.351 41.767 42.059 0.098 0.000 0.913 355 L HN 0.678 nan 8.230 nan 0.000 0.440 356 T N -4.132 110.508 114.554 0.143 0.000 3.039 356 T HA 0.076 4.426 4.350 0.000 0.000 0.250 356 T C 1.719 176.508 174.700 0.147 0.000 1.052 356 T CA 0.141 62.321 62.100 0.133 0.000 1.125 356 T CB -0.144 68.786 68.868 0.103 0.000 0.908 356 T HN 0.155 nan 8.240 nan 0.000 0.473 357 L N 1.849 123.182 121.223 0.182 0.000 2.249 357 L HA 0.152 4.492 4.340 0.000 0.000 0.207 357 L C 2.824 179.765 176.870 0.118 0.000 1.090 357 L CA 1.401 56.335 54.840 0.156 0.000 0.802 357 L CB -0.426 41.736 42.059 0.173 0.000 0.947 357 L HN 0.482 nan 8.230 nan 0.000 0.453 358 T N -3.443 111.227 114.554 0.194 0.000 3.069 358 T HA 0.177 4.527 4.350 0.000 0.000 0.252 358 T C 0.897 175.735 174.700 0.231 0.000 1.053 358 T CA -0.352 61.886 62.100 0.230 0.000 0.964 358 T CB 0.146 69.222 68.868 0.346 0.000 1.005 358 T HN 0.075 nan 8.240 nan 0.000 0.532 359 R N 1.371 121.892 120.500 0.034 0.000 2.573 359 R HA 0.361 4.701 4.340 0.000 0.000 0.272 359 R C 1.552 177.771 176.300 -0.134 0.000 1.009 359 R CA -0.315 55.663 56.100 -0.204 0.000 1.059 359 R CB 0.969 30.959 30.300 -0.516 0.000 1.112 359 R HN 0.497 nan 8.270 nan 0.000 0.517 360 E N 0.931 121.044 120.200 -0.145 0.000 2.274 360 E HA -0.130 4.220 4.350 0.000 0.000 0.194 360 E C -0.436 176.109 176.600 -0.093 0.000 0.996 360 E CA 0.759 57.099 56.400 -0.101 0.000 0.840 360 E CB 0.267 29.925 29.700 -0.070 0.000 0.772 360 E HN 0.416 nan 8.360 nan 0.000 0.491 361 Q N 0.746 120.466 119.800 -0.133 0.000 2.259 361 Q HA 0.509 4.849 4.340 0.000 0.000 0.246 361 Q C 0.139 176.119 176.000 -0.034 0.000 0.920 361 Q CA 0.388 56.133 55.803 -0.097 0.000 0.895 361 Q CB 1.787 30.428 28.738 -0.162 0.000 1.220 361 Q HN 0.365 nan 8.270 nan 0.000 0.439 362 G N 0.517 109.335 108.800 0.031 0.000 2.758 362 G HA2 -0.232 3.728 3.960 0.000 0.000 0.686 362 G HA3 -0.232 3.728 3.960 0.000 0.000 0.686 362 G C -1.841 173.170 174.900 0.185 0.000 1.389 362 G CA -0.802 44.368 45.100 0.117 0.000 0.845 362 G HN 0.494 nan 8.290 nan 0.000 0.572 363 Y N 3.337 123.686 120.300 0.082 0.000 2.478 363 Y HA 0.572 5.122 4.550 0.000 0.000 0.329 363 Y C -1.892 174.094 175.900 0.143 0.000 0.967 363 Y CA -2.974 55.169 58.100 0.073 0.000 1.255 363 Y CB 1.274 39.760 38.460 0.043 0.000 1.103 363 Y HN 0.549 nan 8.280 nan 0.000 0.497 364 P HA 0.156 nan 4.420 nan 0.000 0.274 364 P C -0.689 176.735 177.300 0.206 0.000 1.231 364 P CA -0.066 63.185 63.100 0.253 0.000 0.790 364 P CB 1.870 33.710 31.700 0.234 0.000 0.951 365 S N 1.236 117.107 115.700 0.284 0.000 2.536 365 S HA 0.501 4.971 4.470 0.000 0.000 0.287 365 S C -1.010 173.843 174.600 0.422 0.000 1.101 365 S CA -0.671 57.723 58.200 0.322 0.000 0.950 365 S CB 0.899 64.358 63.200 0.431 0.000 1.056 365 S HN 0.171 nan 8.310 nan 0.000 0.481 366 V N 4.902 125.027 119.914 0.351 0.000 2.435 366 V HA 0.517 4.637 4.120 0.000 0.000 0.290 366 V C -0.504 175.815 176.094 0.376 0.000 1.030 366 V CA -0.759 61.749 62.300 0.347 0.000 0.881 366 V CB 1.202 33.034 31.823 0.014 0.000 0.983 366 V HN 0.841 nan 8.190 nan 0.000 0.445 367 F N 4.618 124.739 119.950 0.286 0.000 2.420 367 F HA 0.326 4.853 4.527 0.000 0.000 0.352 367 F C 0.804 176.701 175.800 0.161 0.000 1.108 367 F CA -1.154 56.970 58.000 0.208 0.000 1.162 367 F CB 0.757 39.921 39.000 0.273 0.000 1.118 367 F HN 0.625 nan 8.300 nan 0.000 0.510 368 Y N 5.165 125.243 120.300 -0.370 0.000 2.114 368 Y HA -0.160 4.390 4.550 0.000 0.000 0.282 368 Y C 2.179 177.724 175.900 -0.591 0.000 1.165 368 Y CA 2.344 60.179 58.100 -0.442 0.000 1.148 368 Y CB -0.649 37.548 38.460 -0.439 0.000 0.972 368 Y HN 0.699 nan 8.280 nan 0.000 0.504 369 G N -0.403 107.711 108.800 -1.143 0.000 2.469 369 G HA2 -0.287 3.673 3.960 0.000 0.000 0.220 369 G HA3 -0.287 3.673 3.960 0.000 0.000 0.220 369 G C 1.328 176.129 174.900 -0.166 0.000 1.136 369 G CA 1.301 45.991 45.100 -0.684 0.000 0.759 369 G HN 0.430 nan 8.290 nan 0.000 0.562 370 D N -0.995 119.372 120.400 -0.054 0.000 2.137 370 D HA -0.043 4.597 4.640 0.000 0.000 0.202 370 D C 1.920 178.218 176.300 -0.004 0.000 0.970 370 D CA 0.497 54.603 54.000 0.177 0.000 0.837 370 D CB -0.292 40.735 40.800 0.379 0.000 0.981 370 D HN 0.409 nan 8.370 nan 0.000 0.475 371 Y N -0.196 119.931 120.300 -0.288 0.000 2.133 371 Y HA -0.263 4.287 4.550 0.000 0.000 0.287 371 Y C 1.631 177.215 175.900 -0.528 0.000 1.134 371 Y CA 1.544 59.350 58.100 -0.490 0.000 1.133 371 Y CB 0.006 38.047 38.460 -0.699 0.000 0.987 371 Y HN -0.072 nan 8.280 nan 0.000 0.502 372 Y N -0.155 119.973 120.300 -0.287 0.000 2.458 372 Y HA 0.380 4.931 4.550 0.000 0.000 0.254 372 Y C 1.072 176.858 175.900 -0.190 0.000 1.120 372 Y CA 0.191 58.087 58.100 -0.340 0.000 1.282 372 Y CB 0.285 38.394 38.460 -0.585 0.000 1.109 372 Y HN 0.190 nan 8.280 nan 0.000 0.526 373 G N 0.771 109.572 108.800 0.002 0.000 2.712 373 G HA2 -0.161 3.799 3.960 0.000 0.000 0.683 373 G HA3 -0.161 3.799 3.960 0.000 0.000 0.683 373 G C -0.912 174.050 174.900 0.103 0.000 1.320 373 G CA -0.617 44.522 45.100 0.065 0.000 0.847 373 G HN 0.082 nan 8.290 nan 0.000 0.553 374 I N 1.582 122.224 120.570 0.120 0.000 2.698 374 I HA 0.222 4.392 4.170 0.000 0.000 0.276 374 I C -1.677 174.514 176.117 0.124 0.000 1.166 374 I CA -1.863 59.519 61.300 0.137 0.000 1.101 374 I CB 2.061 40.129 38.000 0.114 0.000 1.305 374 I HN 0.270 nan 8.210 nan 0.000 0.526 375 P HA -0.226 nan 4.420 nan 0.000 0.216 375 P C 1.758 179.080 177.300 0.036 0.000 1.154 375 P CA 1.800 64.939 63.100 0.064 0.000 0.865 375 P CB -0.008 31.725 31.700 0.056 0.000 0.789 376 T N -5.088 109.499 114.554 0.055 0.000 2.929 376 T HA -0.176 4.174 4.350 0.000 0.000 0.271 376 T C 0.998 175.528 174.700 -0.285 0.000 1.085 376 T CA 1.464 63.523 62.100 -0.069 0.000 1.125 376 T CB -1.013 67.843 68.868 -0.021 0.000 0.874 376 T HN 0.248 nan 8.240 nan 0.000 0.494 377 H N -0.008 118.990 119.070 -0.121 0.000 2.567 377 H HA 0.517 5.074 4.556 0.000 0.000 0.267 377 H C 1.466 176.764 175.328 -0.050 0.000 1.148 377 H CA -0.528 55.445 56.048 -0.125 0.000 1.031 377 H CB 0.310 29.957 29.762 -0.191 0.000 1.691 377 H HN 0.438 nan 8.280 nan 0.000 0.588 378 G N 0.763 109.591 108.800 0.046 0.000 2.179 378 G HA2 -0.284 3.676 3.960 0.000 0.000 0.257 378 G HA3 -0.284 3.676 3.960 0.000 0.000 0.257 378 G C -0.102 174.854 174.900 0.094 0.000 1.010 378 G CA 0.484 45.617 45.100 0.055 0.000 0.736 378 G HN 0.269 nan 8.290 nan 0.000 0.513 379 V N 2.891 122.875 119.914 0.117 0.000 2.348 379 V HA 0.404 4.524 4.120 0.000 0.000 0.270 379 V C -0.892 175.278 176.094 0.127 0.000 1.037 379 V CA -1.338 61.059 62.300 0.161 0.000 0.872 379 V CB 1.369 33.319 31.823 0.211 0.000 1.002 379 V HN 0.296 nan 8.190 nan 0.000 0.464 380 P HA 0.235 nan 4.420 nan 0.000 0.274 380 P C -0.370 176.957 177.300 0.044 0.000 1.237 380 P CA -0.265 62.874 63.100 0.064 0.000 0.793 380 P CB 1.057 32.789 31.700 0.053 0.000 0.977 381 A N 2.890 125.712 122.820 0.003 0.000 2.488 381 A HA 0.216 4.536 4.320 0.000 0.000 0.249 381 A C 1.045 178.567 177.584 -0.103 0.000 1.083 381 A CA 0.042 52.042 52.037 -0.061 0.000 0.768 381 A CB -0.581 18.377 19.000 -0.069 0.000 1.017 381 A HN 0.570 nan 8.150 nan 0.000 0.496 382 M N 2.151 121.657 119.600 -0.157 0.000 2.405 382 M HA 0.064 4.544 4.480 0.000 0.000 0.292 382 M C 1.854 177.987 176.300 -0.279 0.000 1.111 382 M CA -0.009 55.202 55.300 -0.149 0.000 0.979 382 M CB 0.190 32.756 32.600 -0.056 0.000 1.426 382 M HN 0.943 nan 8.290 nan 0.000 0.509 383 R N 0.244 120.426 120.500 -0.530 0.000 2.159 383 R HA -0.115 4.226 4.340 0.000 0.000 0.237 383 R C 1.878 177.944 176.300 -0.389 0.000 1.131 383 R CA 1.958 57.568 56.100 -0.816 0.000 0.982 383 R CB -1.068 28.277 30.300 -1.592 0.000 0.868 383 R HN 0.356 nan 8.270 nan 0.000 0.453 384 S N 0.789 116.333 115.700 -0.260 0.000 2.423 384 S HA -0.058 4.412 4.470 0.000 0.000 0.231 384 S C 1.638 176.168 174.600 -0.116 0.000 1.014 384 S CA 0.881 58.990 58.200 -0.152 0.000 0.965 384 S CB 0.039 63.173 63.200 -0.110 0.000 0.785 384 S HN 0.456 nan 8.310 nan 0.000 0.495 385 K N 0.238 120.566 120.400 -0.121 0.000 2.334 385 K HA 0.382 4.702 4.320 0.000 0.000 0.195 385 K C 1.752 178.297 176.600 -0.092 0.000 1.045 385 K CA 0.413 56.647 56.287 -0.089 0.000 1.004 385 K CB -0.028 32.434 32.500 -0.064 0.000 0.837 385 K HN 0.382 nan 8.250 nan 0.000 0.510 386 I N 1.177 121.669 120.570 -0.130 0.000 2.480 386 I HA -0.181 3.989 4.170 0.000 0.000 0.251 386 I C 1.456 177.543 176.117 -0.050 0.000 1.124 386 I CA 0.852 62.070 61.300 -0.136 0.000 1.444 386 I CB -0.096 37.777 38.000 -0.211 0.000 1.098 386 I HN 0.048 nan 8.210 nan 0.000 0.428 387 D N 1.379 121.764 120.400 -0.025 0.000 2.116 387 D HA -0.159 4.482 4.640 0.000 0.000 0.193 387 D C -0.471 175.827 176.300 -0.002 0.000 0.998 387 D CA 1.663 55.673 54.000 0.016 0.000 0.836 387 D CB -1.597 39.203 40.800 0.001 0.000 0.951 387 D HN 0.237 nan 8.370 nan 0.000 0.449 388 P HA -0.045 nan 4.420 nan 0.000 0.218 388 P C 1.615 178.905 177.300 -0.017 0.000 1.149 388 P CA 0.804 63.886 63.100 -0.029 0.000 0.817 388 P CB 0.024 31.688 31.700 -0.060 0.000 0.785 389 I N -1.759 118.801 120.570 -0.016 0.000 2.353 389 I HA -0.161 4.009 4.170 0.000 0.000 0.248 389 I C 2.163 178.296 176.117 0.027 0.000 1.119 389 I CA 1.070 62.375 61.300 0.008 0.000 1.417 389 I CB -0.575 37.441 38.000 0.026 0.000 1.078 389 I HN -0.088 nan 8.210 nan 0.000 0.421 390 L N 0.594 121.827 121.223 0.018 0.000 2.093 390 L HA -0.194 4.146 4.340 0.000 0.000 0.208 390 L C 2.614 179.498 176.870 0.024 0.000 1.085 390 L CA 1.338 56.190 54.840 0.021 0.000 0.755 390 L CB -0.450 41.615 42.059 0.011 0.000 0.904 390 L HN 0.300 nan 8.230 nan 0.000 0.435 391 E N 0.354 120.573 120.200 0.031 0.000 2.106 391 E HA -0.223 4.127 4.350 0.000 0.000 0.192 391 E C 2.222 178.872 176.600 0.084 0.000 0.984 391 E CA 1.053 57.480 56.400 0.046 0.000 0.806 391 E CB 0.042 29.775 29.700 0.055 0.000 0.750 391 E HN 0.447 nan 8.360 nan 0.000 0.458 392 A N 1.519 124.400 122.820 0.102 0.000 1.902 392 A HA -0.210 4.110 4.320 0.000 0.000 0.217 392 A C 2.204 179.833 177.584 0.075 0.000 1.181 392 A CA 1.636 53.772 52.037 0.165 0.000 0.623 392 A CB -0.561 18.477 19.000 0.064 0.000 0.818 392 A HN 0.243 nan 8.150 nan 0.000 0.443 393 R N -0.961 119.543 120.500 0.007 0.000 2.075 393 R HA -0.117 4.223 4.340 0.000 0.000 0.232 393 R C 2.307 178.522 176.300 -0.143 0.000 1.126 393 R CA 1.441 57.489 56.100 -0.086 0.000 0.963 393 R CB -0.253 30.027 30.300 -0.033 0.000 0.858 393 R HN 0.548 nan 8.270 nan 0.000 0.435 394 Q N 0.275 120.055 119.800 -0.033 0.000 2.079 394 Q HA -0.140 4.200 4.340 0.000 0.000 0.200 394 Q C 1.582 177.635 176.000 0.089 0.000 0.974 394 Q CA 1.627 57.447 55.803 0.028 0.000 0.840 394 Q CB 0.196 28.946 28.738 0.020 0.000 0.898 394 Q HN 0.420 nan 8.270 nan 0.000 0.430 395 K N -1.587 118.776 120.400 -0.063 0.000 2.365 395 K HA 0.058 4.378 4.320 0.000 0.000 0.195 395 K C 1.204 177.559 176.600 -0.407 0.000 1.079 395 K CA 0.383 56.493 56.287 -0.295 0.000 0.979 395 K CB 0.496 32.561 32.500 -0.725 0.000 0.929 395 K HN 0.106 nan 8.250 nan 0.000 0.523 396 Y N 0.063 120.411 120.300 0.079 0.000 2.467 396 Y HA 0.344 4.894 4.550 0.000 0.000 0.259 396 Y C 0.904 176.771 175.900 -0.055 0.000 1.084 396 Y CA -0.693 57.422 58.100 0.024 0.000 1.275 396 Y CB 0.509 38.912 38.460 -0.094 0.000 1.208 396 Y HN -0.142 nan 8.280 nan 0.000 0.511 397 A N 0.825 123.535 122.820 -0.182 0.000 3.026 397 A HA 0.408 4.728 4.320 0.000 0.000 0.272 397 A C -1.277 175.893 177.584 -0.690 0.000 1.782 397 A CA 0.322 52.170 52.037 -0.316 0.000 1.451 397 A CB -1.723 17.117 19.000 -0.267 0.000 1.081 397 A HN 0.337 nan 8.150 nan 0.000 0.611 398 Y N -0.299 119.984 120.300 -0.028 0.000 2.588 398 Y HA 0.631 5.182 4.550 0.000 0.000 0.343 398 Y C 0.743 176.656 175.900 0.021 0.000 1.065 398 Y CA -0.181 57.888 58.100 -0.052 0.000 1.038 398 Y CB 1.650 40.022 38.460 -0.147 0.000 1.297 398 Y HN 1.099 nan 8.280 nan 0.000 0.467 399 G N 1.372 110.290 108.800 0.197 0.000 2.728 399 G HA2 -0.207 3.753 3.960 0.000 0.000 0.294 399 G HA3 -0.207 3.753 3.960 0.000 0.000 0.294 399 G C -0.783 174.179 174.900 0.105 0.000 1.342 399 G CA -0.634 44.551 45.100 0.141 0.000 0.866 399 G HN 0.795 nan 8.290 nan 0.000 0.534 400 K N 0.163 120.623 120.400 0.100 0.000 2.524 400 K HA 0.224 4.544 4.320 0.000 0.000 0.279 400 K C 0.477 177.140 176.600 0.106 0.000 0.993 400 K CA 0.708 57.050 56.287 0.091 0.000 1.030 400 K CB 0.259 32.819 32.500 0.101 0.000 0.891 400 K HN 0.709 nan 8.250 nan 0.000 0.488 401 Q N 3.663 123.513 119.800 0.085 0.000 2.293 401 Q HA 0.202 4.542 4.340 0.000 0.000 0.261 401 Q C -1.297 174.771 176.000 0.114 0.000 0.960 401 Q CA -0.821 55.047 55.803 0.108 0.000 0.882 401 Q CB 1.089 29.854 28.738 0.045 0.000 1.275 401 Q HN 0.571 nan 8.270 nan 0.000 0.445 402 N N 3.707 122.521 118.700 0.190 0.000 2.407 402 N HA 0.263 5.003 4.740 0.000 0.000 0.277 402 N C -1.585 174.029 175.510 0.173 0.000 0.995 402 N CA -0.477 52.663 53.050 0.149 0.000 0.903 402 N CB 1.606 40.246 38.487 0.256 0.000 1.218 402 N HN 0.567 nan 8.380 nan 0.000 0.487 403 D N 0.925 121.316 120.400 -0.014 0.000 2.255 403 D HA 0.221 4.861 4.640 0.000 0.000 0.249 403 D C -0.307 175.888 176.300 -0.176 0.000 1.078 403 D CA 0.254 54.291 54.000 0.062 0.000 0.896 403 D CB 0.864 41.683 40.800 0.032 0.000 1.194 403 D HN 0.424 nan 8.370 nan 0.000 0.429 404 Y N 1.484 121.958 120.300 0.291 0.000 2.555 404 Y HA 0.252 4.803 4.550 0.000 0.000 0.317 404 Y C -0.246 175.819 175.900 0.275 0.000 0.928 404 Y CA -0.502 57.755 58.100 0.262 0.000 1.116 404 Y CB 0.369 38.980 38.460 0.252 0.000 1.169 404 Y HN 0.115 nan 8.280 nan 0.000 0.627 405 L N 2.352 123.780 121.223 0.341 0.000 2.536 405 L HA 0.214 4.554 4.340 0.000 0.000 0.242 405 L C 0.315 177.338 176.870 0.256 0.000 1.280 405 L CA 0.095 55.128 54.840 0.321 0.000 1.221 405 L CB -0.354 41.887 42.059 0.302 0.000 1.449 405 L HN 0.335 nan 8.230 nan 0.000 0.405 406 D N -2.288 118.282 120.400 0.283 0.000 2.501 406 D HA 0.099 4.739 4.640 0.000 0.000 0.224 406 D C 0.309 176.776 176.300 0.278 0.000 1.202 406 D CA -0.089 54.060 54.000 0.249 0.000 0.829 406 D CB 0.087 41.041 40.800 0.257 0.000 1.023 406 D HN 0.246 nan 8.370 nan 0.000 0.499 407 H N -0.048 119.114 119.070 0.154 0.000 2.894 407 H HA 0.139 4.695 4.556 0.000 0.000 0.367 407 H C 0.408 175.785 175.328 0.082 0.000 1.144 407 H CA -0.409 55.697 56.048 0.097 0.000 1.180 407 H CB 1.558 31.339 29.762 0.031 0.000 1.758 407 H HN 0.070 nan 8.280 nan 0.000 0.541 408 H N 2.357 121.231 119.070 -0.327 0.000 2.518 408 H HA 0.014 4.570 4.556 0.000 0.000 0.289 408 H C 0.223 175.612 175.328 0.100 0.000 1.051 408 H CA 1.528 57.511 56.048 -0.109 0.000 1.280 408 H CB 0.385 30.038 29.762 -0.181 0.000 1.380 408 H HN 0.348 nan 8.280 nan 0.000 0.566 409 N N 0.326 119.008 118.700 -0.030 0.000 2.672 409 N HA 0.179 4.919 4.740 0.000 0.000 0.229 409 N C 0.054 175.714 175.510 0.250 0.000 1.043 409 N CA 0.220 53.384 53.050 0.190 0.000 0.932 409 N CB 0.951 39.525 38.487 0.144 0.000 1.500 409 N HN 0.229 nan 8.380 nan 0.000 0.445 410 I N 3.558 124.296 120.570 0.281 0.000 2.297 410 I HA 0.332 4.502 4.170 0.000 0.000 0.291 410 I C -0.074 176.148 176.117 0.175 0.000 1.033 410 I CA -0.499 60.866 61.300 0.108 0.000 1.253 410 I CB 0.479 38.416 38.000 -0.105 0.000 1.396 410 I HN 0.066 nan 8.210 nan 0.000 0.476 411 I N 2.622 123.305 120.570 0.188 0.000 3.002 411 I HA 1.063 5.233 4.170 0.000 0.000 0.310 411 I C -0.064 176.163 176.117 0.183 0.000 1.087 411 I CA -0.632 60.824 61.300 0.259 0.000 1.017 411 I CB 2.396 40.605 38.000 0.349 0.000 1.226 411 I HN 0.556 nan 8.210 nan 0.000 0.443 412 G N 1.795 110.763 108.800 0.280 0.000 2.559 412 G HA2 0.663 4.623 3.960 0.000 0.000 0.291 412 G HA3 0.663 4.623 3.960 0.000 0.000 0.291 412 G C -2.573 172.583 174.900 0.427 0.000 1.424 412 G CA -0.658 44.472 45.100 0.050 0.000 0.786 412 G HN 1.156 nan 8.290 nan 0.000 0.485 413 W N -0.756 120.675 121.300 0.219 0.000 3.275 413 W HA 0.721 5.382 4.660 0.001 0.000 0.306 413 W C -0.417 176.196 176.519 0.155 0.000 1.259 413 W CA -0.729 56.779 57.345 0.271 0.000 1.194 413 W CB 0.741 30.311 29.460 0.184 0.000 1.375 413 W HN 0.915 nan 8.180 nan 0.000 0.564 414 T N -0.146 114.648 114.554 0.400 0.000 2.930 414 T HA 0.810 5.160 4.350 0.000 0.000 0.290 414 T C -0.821 174.037 174.700 0.263 0.000 1.052 414 T CA -1.137 61.095 62.100 0.220 0.000 1.017 414 T CB 2.065 71.017 68.868 0.140 0.000 1.137 414 T HN 0.610 nan 8.240 nan 0.000 0.511 415 R N 1.241 121.863 120.500 0.202 0.000 2.476 415 R HA 0.363 4.703 4.340 0.000 0.000 0.305 415 R C 0.314 176.711 176.300 0.163 0.000 0.965 415 R CA -0.560 55.645 56.100 0.175 0.000 0.867 415 R CB 1.531 31.921 30.300 0.150 0.000 1.176 415 R HN 0.884 nan 8.270 nan 0.000 0.447 416 E N 1.182 121.464 120.200 0.136 0.000 2.482 416 E HA 0.083 4.433 4.350 0.000 0.000 0.196 416 E C 0.603 177.284 176.600 0.136 0.000 1.047 416 E CA 0.534 57.001 56.400 0.112 0.000 0.869 416 E CB 0.220 29.970 29.700 0.082 0.000 0.836 416 E HN 0.921 nan 8.360 nan 0.000 0.520 417 G N 2.072 110.966 108.800 0.157 0.000 2.829 417 G HA2 -0.225 3.735 3.960 0.000 0.000 0.628 417 G HA3 -0.225 3.735 3.960 0.000 0.000 0.628 417 G C -0.652 174.338 174.900 0.150 0.000 1.412 417 G CA -0.245 44.961 45.100 0.177 0.000 0.864 417 G HN 0.359 nan 8.290 nan 0.000 0.544 418 N N -2.925 115.862 118.700 0.145 0.000 2.610 418 N HA 0.661 5.401 4.740 0.000 0.000 0.264 418 N C 0.896 176.441 175.510 0.059 0.000 1.348 418 N CA 0.395 53.507 53.050 0.102 0.000 0.819 418 N CB 0.953 39.510 38.487 0.117 0.000 1.521 418 N HN 1.154 nan 8.380 nan 0.000 0.497 419 T N -3.845 110.722 114.554 0.022 0.000 3.007 419 T HA 0.015 4.365 4.350 0.000 0.000 0.270 419 T C 1.587 176.234 174.700 -0.089 0.000 1.107 419 T CA 0.864 62.953 62.100 -0.018 0.000 1.118 419 T CB -0.601 68.257 68.868 -0.018 0.000 0.889 419 T HN 0.674 nan 8.240 nan 0.000 0.506 420 A N 1.049 123.792 122.820 -0.128 0.000 2.067 420 A HA 0.077 4.397 4.320 0.000 0.000 0.219 420 A C 0.490 177.661 177.584 -0.688 0.000 1.158 420 A CA 0.627 52.452 52.037 -0.353 0.000 0.661 420 A CB -0.512 18.279 19.000 -0.348 0.000 0.801 420 A HN 0.768 nan 8.150 nan 0.000 0.452 421 H N -0.733 118.181 119.070 -0.259 0.000 2.906 421 H HA 0.373 4.929 4.556 0.000 0.000 0.324 421 H C -2.818 172.415 175.328 -0.158 0.000 0.973 421 H CA -2.102 53.770 56.048 -0.294 0.000 1.321 421 H CB 1.122 30.547 29.762 -0.561 0.000 1.535 421 H HN 0.100 nan 8.280 nan 0.000 0.518 422 P HA -0.080 nan 4.420 nan 0.000 0.264 422 P C -0.417 176.890 177.300 0.011 0.000 1.193 422 P CA 0.226 63.312 63.100 -0.023 0.000 0.763 422 P CB 0.648 32.323 31.700 -0.042 0.000 0.810 423 N N -1.019 117.714 118.700 0.054 0.000 2.778 423 N HA -0.194 4.547 4.740 0.000 0.000 0.249 423 N C 0.069 175.682 175.510 0.170 0.000 1.069 423 N CA 0.760 53.872 53.050 0.104 0.000 0.831 423 N CB -1.679 36.886 38.487 0.129 0.000 1.142 423 N HN 0.672 nan 8.380 nan 0.000 0.573 424 S N 0.041 115.824 115.700 0.138 0.000 2.584 424 S HA 0.601 5.071 4.470 0.000 0.000 0.270 424 S C 0.810 175.527 174.600 0.195 0.000 1.346 424 S CA 0.197 58.525 58.200 0.213 0.000 1.018 424 S CB 1.842 65.165 63.200 0.205 0.000 0.899 424 S HN 0.901 nan 8.310 nan 0.000 0.542 425 G N 0.167 109.087 108.800 0.200 0.000 2.402 425 G HA2 0.463 4.423 3.960 0.000 0.000 0.666 425 G HA3 0.463 4.423 3.960 0.000 0.000 0.666 425 G C -1.460 173.398 174.900 -0.070 0.000 1.402 425 G CA -0.489 44.679 45.100 0.114 0.000 0.920 425 G HN 1.910 nan 8.290 nan 0.000 0.651 426 L N -2.115 119.127 121.223 0.031 0.000 2.838 426 L HA 1.060 5.400 4.340 0.000 0.000 0.266 426 L C -0.278 176.656 176.870 0.106 0.000 1.040 426 L CA -0.770 54.039 54.840 -0.052 0.000 0.906 426 L CB 1.370 43.387 42.059 -0.071 0.000 1.501 426 L HN 2.401 nan 8.230 nan 0.000 0.407 427 A N 0.211 123.015 122.820 -0.028 0.000 2.522 427 A HA 0.764 5.084 4.320 0.000 0.000 0.285 427 A C -0.512 176.853 177.584 -0.365 0.000 1.198 427 A CA -0.317 51.513 52.037 -0.346 0.000 0.742 427 A CB 0.777 19.094 19.000 -1.137 0.000 1.176 427 A HN 0.708 nan 8.150 nan 0.000 0.444 428 T N 2.827 117.062 114.554 -0.531 0.000 2.806 428 T HA 0.599 4.949 4.350 0.000 0.000 0.290 428 T C -0.271 174.035 174.700 -0.656 0.000 0.966 428 T CA 0.130 61.823 62.100 -0.677 0.000 1.060 428 T CB 0.615 68.787 68.868 -1.161 0.000 0.927 428 T HN 0.654 nan 8.240 nan 0.000 0.485 429 I N 4.881 125.228 120.570 -0.372 0.000 2.656 429 I HA 0.661 4.831 4.170 0.000 0.000 0.292 429 I C -1.265 174.765 176.117 -0.144 0.000 1.144 429 I CA -1.219 59.957 61.300 -0.207 0.000 1.038 429 I CB 1.412 39.403 38.000 -0.016 0.000 1.244 429 I HN 0.780 nan 8.210 nan 0.000 0.420 430 M N 4.720 124.266 119.600 -0.090 0.000 2.622 430 M HA 0.669 5.149 4.480 0.000 0.000 0.276 430 M C -1.530 174.799 176.300 0.048 0.000 1.265 430 M CA -0.687 54.592 55.300 -0.035 0.000 0.850 430 M CB 2.145 34.701 32.600 -0.073 0.000 1.720 430 M HN 0.402 nan 8.290 nan 0.000 0.465 431 S N 0.107 115.859 115.700 0.087 0.000 2.572 431 S HA 0.341 4.811 4.470 0.000 0.000 0.274 431 S C -0.829 173.925 174.600 0.256 0.000 1.150 431 S CA -0.488 57.803 58.200 0.152 0.000 0.944 431 S CB 1.455 64.721 63.200 0.110 0.000 1.071 431 S HN 0.905 nan 8.310 nan 0.000 0.479 432 D N 2.924 123.530 120.400 0.343 0.000 2.328 432 D HA 0.251 4.892 4.640 0.000 0.000 0.221 432 D C 0.810 177.351 176.300 0.402 0.000 1.072 432 D CA 0.106 54.441 54.000 0.558 0.000 0.850 432 D CB 0.237 41.384 40.800 0.578 0.000 0.922 432 D HN 0.544 nan 8.370 nan 0.000 0.516 433 G N -0.092 108.859 108.800 0.251 0.000 3.253 433 G HA2 0.538 4.498 3.960 0.000 0.000 0.175 433 G HA3 0.538 4.498 3.960 0.000 0.000 0.175 433 G C -0.824 174.138 174.900 0.104 0.000 1.098 433 G CA -0.180 45.009 45.100 0.150 0.000 0.790 433 G HN 0.290 nan 8.290 nan 0.000 0.648 434 A N -0.374 122.497 122.820 0.084 0.000 2.483 434 A HA 0.566 4.887 4.320 0.000 0.000 0.238 434 A C 1.059 178.670 177.584 0.046 0.000 1.070 434 A CA 0.705 52.775 52.037 0.056 0.000 0.770 434 A CB -0.292 18.740 19.000 0.053 0.000 1.008 434 A HN 1.521 nan 8.150 nan 0.000 0.497 435 G N -0.261 108.559 108.800 0.034 0.000 2.651 435 G HA2 0.597 4.557 3.960 0.000 0.000 0.260 435 G HA3 0.597 4.557 3.960 0.000 0.000 0.260 435 G C 0.392 175.290 174.900 -0.003 0.000 1.216 435 G CA 0.254 45.369 45.100 0.025 0.000 0.913 435 G HN 1.813 nan 8.290 nan 0.000 0.535 436 G N -1.468 107.324 108.800 -0.014 0.000 2.356 436 G HA2 0.636 4.596 3.960 0.000 0.000 0.281 436 G HA3 0.636 4.596 3.960 0.000 0.000 0.281 436 G C -0.638 174.227 174.900 -0.057 0.000 1.246 436 G CA 0.534 45.605 45.100 -0.048 0.000 0.889 436 G HN 1.734 nan 8.290 nan 0.000 0.486 437 S N -1.104 114.538 115.700 -0.097 0.000 2.651 437 S HA 0.858 5.328 4.470 0.000 0.000 0.279 437 S C -1.152 173.368 174.600 -0.133 0.000 1.148 437 S CA -0.663 57.456 58.200 -0.135 0.000 0.837 437 S CB 2.720 65.783 63.200 -0.228 0.000 1.138 437 S HN 0.924 nan 8.310 nan 0.000 0.478 438 K N 0.250 120.556 120.400 -0.156 0.000 2.550 438 K HA 0.319 4.639 4.320 0.000 0.000 0.252 438 K C -2.072 174.469 176.600 -0.098 0.000 0.943 438 K CA -0.486 55.759 56.287 -0.069 0.000 0.806 438 K CB 1.378 33.877 32.500 -0.003 0.000 1.289 438 K HN 0.761 nan 8.250 nan 0.000 0.435 439 W N 5.256 126.556 121.300 0.000 0.000 2.311 439 W HA 0.356 5.016 4.660 -0.000 0.000 0.310 439 W C 0.149 176.771 176.519 0.172 0.000 1.274 439 W CA -0.193 57.198 57.345 0.076 0.000 1.215 439 W CB 0.805 30.305 29.460 0.066 0.000 1.227 439 W HN 0.234 nan 8.180 nan 0.000 0.523 440 M N 3.852 123.703 119.600 0.418 0.000 2.484 440 M HA 0.303 4.783 4.480 0.000 0.000 0.289 440 M C -1.247 175.027 176.300 -0.043 0.000 1.206 440 M CA -1.098 54.168 55.300 -0.057 0.000 0.892 440 M CB 2.372 34.724 32.600 -0.413 0.000 1.712 440 M HN 0.172 nan 8.290 nan 0.000 0.462 441 F N 2.641 122.214 119.950 -0.628 0.000 2.424 441 F HA 0.419 4.946 4.527 0.000 0.000 0.356 441 F C 0.548 176.175 175.800 -0.289 0.000 1.110 441 F CA -0.334 57.136 58.000 -0.883 0.000 1.161 441 F CB 0.883 39.218 39.000 -1.109 0.000 1.115 441 F HN 0.342 nan 8.300 nan 0.000 0.507 442 V N 2.920 122.337 119.914 -0.827 0.000 3.528 442 V HA 0.664 4.784 4.120 0.000 0.000 0.294 442 V C 0.493 176.169 176.094 -0.698 0.000 1.404 442 V CA 0.250 62.238 62.300 -0.520 0.000 1.065 442 V CB -0.356 31.279 31.823 -0.313 0.000 0.904 442 V HN 1.363 nan 8.190 nan 0.000 0.435 443 G N 0.854 108.743 108.800 -1.518 0.000 3.014 443 G HA2 -0.070 3.890 3.960 0.000 0.000 0.683 443 G HA3 -0.070 3.890 3.960 0.000 0.000 0.683 443 G C -0.051 174.601 174.900 -0.414 0.000 1.271 443 G CA -0.191 44.362 45.100 -0.912 0.000 0.843 443 G HN 0.197 nan 8.290 nan 0.000 0.612 444 R N 1.003 121.460 120.500 -0.072 0.000 2.127 444 R HA -0.148 4.192 4.340 0.000 0.000 0.238 444 R C 2.469 178.790 176.300 0.035 0.000 1.134 444 R CA 1.794 57.935 56.100 0.067 0.000 0.975 444 R CB -0.248 30.155 30.300 0.171 0.000 0.865 444 R HN 0.815 nan 8.270 nan 0.000 0.447 445 N N 0.557 119.277 118.700 0.033 0.000 2.609 445 N HA -0.100 4.640 4.740 0.000 0.000 0.190 445 N C 0.741 176.286 175.510 0.058 0.000 1.157 445 N CA 0.412 53.491 53.050 0.050 0.000 0.918 445 N CB 0.161 38.683 38.487 0.058 0.000 0.978 445 N HN -0.024 nan 8.380 nan 0.000 0.448 446 K N 0.554 120.975 120.400 0.034 0.000 2.374 446 K HA 0.224 4.544 4.320 0.000 0.000 0.196 446 K C 0.340 176.959 176.600 0.031 0.000 1.023 446 K CA -0.185 56.150 56.287 0.080 0.000 1.103 446 K CB 0.324 32.880 32.500 0.093 0.000 0.848 446 K HN 0.265 nan 8.250 nan 0.000 0.528 447 A N 0.835 123.663 122.820 0.013 0.000 2.584 447 A HA 0.338 4.659 4.320 0.000 0.000 0.239 447 A C 1.380 178.979 177.584 0.025 0.000 1.043 447 A CA 1.273 53.318 52.037 0.012 0.000 0.756 447 A CB -0.507 18.514 19.000 0.036 0.000 0.963 447 A HN 0.569 nan 8.150 nan 0.000 0.511 448 G N 1.277 110.081 108.800 0.007 0.000 2.253 448 G HA2 -0.249 3.711 3.960 0.000 0.000 0.251 448 G HA3 -0.249 3.711 3.960 0.000 0.000 0.251 448 G C 0.322 175.250 174.900 0.048 0.000 0.998 448 G CA 0.519 45.632 45.100 0.022 0.000 0.621 448 G HN 0.996 nan 8.290 nan 0.000 0.524 449 Q N -0.016 119.832 119.800 0.080 0.000 2.392 449 Q HA 0.456 4.796 4.340 0.000 0.000 0.262 449 Q C -0.084 176.030 176.000 0.190 0.000 1.003 449 Q CA 0.152 56.074 55.803 0.197 0.000 0.888 449 Q CB 1.805 30.791 28.738 0.413 0.000 1.260 449 Q HN 0.223 nan 8.270 nan 0.000 0.435 450 V N 3.061 123.136 119.914 0.269 0.000 2.293 450 V HA 0.178 4.298 4.120 0.000 0.000 0.275 450 V C -0.784 175.560 176.094 0.418 0.000 1.021 450 V CA -0.710 61.732 62.300 0.236 0.000 0.815 450 V CB -0.104 31.802 31.823 0.138 0.000 1.025 450 V HN 0.625 nan 8.190 nan 0.000 0.448 451 W N 2.841 124.194 121.300 0.088 0.000 2.283 451 W HA 0.692 5.352 4.660 -0.000 0.000 0.341 451 W C 0.700 177.404 176.519 0.309 0.000 1.206 451 W CA -0.749 56.699 57.345 0.172 0.000 1.294 451 W CB 1.298 30.908 29.460 0.250 0.000 1.154 451 W HN 0.591 nan 8.180 nan 0.000 0.613 452 S N -0.029 115.962 115.700 0.486 0.000 2.595 452 S HA 0.299 4.769 4.470 0.000 0.000 0.281 452 S C -1.284 173.313 174.600 -0.006 0.000 1.117 452 S CA -0.996 57.435 58.200 0.384 0.000 0.873 452 S CB 2.226 65.514 63.200 0.147 0.000 1.108 452 S HN 0.331 nan 8.310 nan 0.000 0.477 453 D N 0.848 120.927 120.400 -0.536 0.000 2.344 453 D HA 0.169 4.809 4.640 0.000 0.000 0.253 453 D C 0.799 176.830 176.300 -0.448 0.000 1.255 453 D CA -0.420 53.044 54.000 -0.892 0.000 0.894 453 D CB 0.259 40.326 40.800 -1.222 0.000 1.067 453 D HN 0.606 nan 8.370 nan 0.000 0.492 454 I N 3.004 123.351 120.570 -0.371 0.000 2.700 454 I HA -0.238 3.932 4.170 0.000 0.000 0.261 454 I C 1.807 177.806 176.117 -0.196 0.000 1.219 454 I CA 1.266 62.424 61.300 -0.238 0.000 1.463 454 I CB 0.174 38.050 38.000 -0.207 0.000 1.092 454 I HN 0.487 nan 8.210 nan 0.000 0.452 455 T N -2.852 111.555 114.554 -0.245 0.000 3.043 455 T HA 0.144 4.494 4.350 0.000 0.000 0.263 455 T C 1.625 176.227 174.700 -0.164 0.000 1.094 455 T CA 0.675 62.665 62.100 -0.183 0.000 1.127 455 T CB 0.190 68.943 68.868 -0.192 0.000 0.905 455 T HN 0.515 nan 8.240 nan 0.000 0.490 456 G N 1.687 110.365 108.800 -0.203 0.000 2.179 456 G HA2 -0.338 3.622 3.960 0.000 0.000 0.260 456 G HA3 -0.338 3.622 3.960 0.000 0.000 0.260 456 G C 0.991 175.808 174.900 -0.138 0.000 0.977 456 G CA 0.393 45.401 45.100 -0.153 0.000 0.641 456 G HN 0.504 nan 8.290 nan 0.000 0.533 457 N N 0.107 118.711 118.700 -0.160 0.000 2.166 457 N HA -0.045 4.695 4.740 0.000 0.000 0.186 457 N C 1.039 176.494 175.510 -0.091 0.000 1.019 457 N CA 1.053 54.036 53.050 -0.111 0.000 0.856 457 N CB -0.073 38.349 38.487 -0.108 0.000 0.993 457 N HN 0.428 nan 8.380 nan 0.000 0.426 458 R N 0.261 120.670 120.500 -0.151 0.000 2.445 458 R HA 0.222 4.562 4.340 0.000 0.000 0.308 458 R C 0.783 177.049 176.300 -0.057 0.000 0.961 458 R CA -0.080 55.990 56.100 -0.051 0.000 0.862 458 R CB 1.114 31.438 30.300 0.040 0.000 1.144 458 R HN 0.165 nan 8.270 nan 0.000 0.447 459 T N -1.865 112.707 114.554 0.030 0.000 3.086 459 T HA 0.143 4.493 4.350 0.000 0.000 0.250 459 T C 1.072 175.834 174.700 0.102 0.000 1.074 459 T CA 0.073 62.194 62.100 0.035 0.000 0.988 459 T CB 0.463 69.344 68.868 0.022 0.000 0.988 459 T HN 0.516 nan 8.240 nan 0.000 0.530 460 G N 1.574 110.490 108.800 0.194 0.000 2.508 460 G HA2 0.534 4.494 3.960 0.000 0.000 0.278 460 G HA3 0.534 4.494 3.960 0.000 0.000 0.278 460 G C -0.216 174.880 174.900 0.327 0.000 1.389 460 G CA -0.042 45.181 45.100 0.204 0.000 1.050 460 G HN 0.601 nan 8.290 nan 0.000 0.522 461 T N -4.089 110.587 114.554 0.204 0.000 2.901 461 T HA 0.635 4.985 4.350 0.000 0.000 0.293 461 T C -1.180 173.483 174.700 -0.061 0.000 1.084 461 T CA -0.743 61.482 62.100 0.208 0.000 1.008 461 T CB 1.960 70.909 68.868 0.135 0.000 1.170 461 T HN 0.567 nan 8.240 nan 0.000 0.509 462 V N 1.611 121.452 119.914 -0.121 0.000 2.482 462 V HA 0.480 4.600 4.120 0.000 0.000 0.295 462 V C -0.134 175.801 176.094 -0.266 0.000 1.026 462 V CA -0.728 61.331 62.300 -0.401 0.000 0.856 462 V CB 1.884 33.221 31.823 -0.810 0.000 1.001 462 V HN 1.152 nan 8.190 nan 0.000 0.424 463 T N 6.366 120.761 114.554 -0.264 0.000 2.743 463 T HA 0.460 4.810 4.350 0.000 0.000 0.293 463 T C 0.164 174.704 174.700 -0.267 0.000 0.945 463 T CA -0.304 61.683 62.100 -0.187 0.000 1.030 463 T CB 0.446 69.253 68.868 -0.103 0.000 0.912 463 T HN 0.309 nan 8.240 nan 0.000 0.483 464 I N 4.749 125.139 120.570 -0.301 0.000 2.598 464 I HA 0.084 4.254 4.170 0.000 0.000 0.284 464 I C 1.002 177.056 176.117 -0.106 0.000 1.140 464 I CA -0.624 60.501 61.300 -0.293 0.000 1.420 464 I CB -0.585 37.199 38.000 -0.361 0.000 1.387 464 I HN 0.696 nan 8.210 nan 0.000 0.553 465 N N 5.311 124.005 118.700 -0.009 0.000 2.347 465 N HA 0.172 4.912 4.740 0.000 0.000 0.253 465 N C 0.895 176.443 175.510 0.064 0.000 1.274 465 N CA 0.006 53.087 53.050 0.052 0.000 0.941 465 N CB 0.341 38.896 38.487 0.114 0.000 1.200 465 N HN 0.584 nan 8.380 nan 0.000 0.514 466 A N -0.557 122.299 122.820 0.060 0.000 2.084 466 A HA -0.173 4.147 4.320 0.000 0.000 0.221 466 A C 0.988 178.638 177.584 0.111 0.000 1.161 466 A CA 1.539 53.615 52.037 0.066 0.000 0.653 466 A CB -0.593 18.436 19.000 0.047 0.000 0.802 466 A HN 0.748 nan 8.150 nan 0.000 0.457 467 D N -1.529 118.975 120.400 0.174 0.000 2.339 467 D HA 0.267 4.907 4.640 0.000 0.000 0.217 467 D C 1.259 177.808 176.300 0.414 0.000 1.050 467 D CA 0.948 55.125 54.000 0.295 0.000 0.856 467 D CB 0.181 41.177 40.800 0.326 0.000 0.922 467 D HN 0.589 nan 8.370 nan 0.000 0.518 468 G N 0.812 109.744 108.800 0.220 0.000 2.132 468 G HA2 -0.242 3.718 3.960 0.000 0.000 0.234 468 G HA3 -0.242 3.718 3.960 0.000 0.000 0.234 468 G C -0.378 174.453 174.900 -0.115 0.000 0.989 468 G CA -0.331 44.759 45.100 -0.016 0.000 0.676 468 G HN 0.148 nan 8.290 nan 0.000 0.522 469 W N -0.160 121.182 121.300 0.069 0.000 2.570 469 W HA 0.679 5.339 4.660 0.000 0.000 0.337 469 W C 0.518 177.033 176.519 -0.007 0.000 1.067 469 W CA 0.085 57.509 57.345 0.132 0.000 1.229 469 W CB 2.102 31.704 29.460 0.235 0.000 1.355 469 W HN 0.555 nan 8.180 nan 0.000 0.555 470 G N 1.499 110.314 108.800 0.026 0.000 2.571 470 G HA2 0.297 4.257 3.960 0.000 0.000 0.304 470 G HA3 0.297 4.257 3.960 0.000 0.000 0.304 470 G C -1.615 172.574 174.900 -1.186 0.000 1.314 470 G CA -0.900 43.734 45.100 -0.778 0.000 0.975 470 G HN 0.322 nan 8.290 nan 0.000 0.485 471 N N 0.924 118.704 118.700 -1.533 0.000 2.645 471 N HA 0.381 5.122 4.740 0.000 0.000 0.233 471 N C -0.902 173.844 175.510 -1.273 0.000 1.058 471 N CA -0.589 51.465 53.050 -1.660 0.000 0.942 471 N CB -0.114 37.183 38.487 -1.982 0.000 1.210 471 N HN 0.204 nan 8.380 nan 0.000 0.512 472 F N 0.810 120.342 119.950 -0.696 0.000 2.399 472 F HA 0.339 4.866 4.527 0.000 0.000 0.342 472 F C 1.373 176.922 175.800 -0.419 0.000 1.106 472 F CA -0.557 57.009 58.000 -0.723 0.000 1.196 472 F CB 0.917 39.576 39.000 -0.569 0.000 1.163 472 F HN 0.265 nan 8.300 nan 0.000 0.547 473 S N 1.757 117.399 115.700 -0.097 0.000 2.648 473 S HA 0.891 5.361 4.470 0.000 0.000 0.305 473 S C -1.016 173.768 174.600 0.306 0.000 1.094 473 S CA -0.832 57.414 58.200 0.077 0.000 0.983 473 S CB 2.028 65.237 63.200 0.015 0.000 1.101 473 S HN 0.705 nan 8.310 nan 0.000 0.514 474 V N 1.069 121.079 119.914 0.159 0.000 3.048 474 V HA 0.482 4.602 4.120 0.000 0.000 0.303 474 V C -1.520 174.618 176.094 0.073 0.000 1.214 474 V CA -0.862 61.515 62.300 0.128 0.000 0.984 474 V CB 2.216 34.089 31.823 0.084 0.000 1.054 474 V HN 1.039 nan 8.190 nan 0.000 0.430 475 N N 2.531 121.265 118.700 0.057 0.000 2.381 475 N HA 0.390 5.130 4.740 0.000 0.000 0.254 475 N C 0.294 175.835 175.510 0.053 0.000 1.264 475 N CA 0.486 53.564 53.050 0.045 0.000 0.942 475 N CB 1.116 39.624 38.487 0.035 0.000 1.190 475 N HN 1.003 nan 8.380 nan 0.000 0.495 476 G N -1.547 107.283 108.800 0.050 0.000 2.491 476 G HA2 0.358 4.318 3.960 0.000 0.000 0.242 476 G HA3 0.358 4.318 3.960 0.000 0.000 0.242 476 G C 0.753 175.715 174.900 0.103 0.000 1.266 476 G CA 0.066 45.205 45.100 0.064 0.000 0.844 476 G HN 0.750 nan 8.290 nan 0.000 0.571 477 G N -0.476 108.425 108.800 0.169 0.000 2.412 477 G HA2 0.046 4.006 3.960 0.000 0.000 0.297 477 G HA3 0.046 4.006 3.960 0.000 0.000 0.297 477 G C 0.394 175.470 174.900 0.293 0.000 0.965 477 G CA 1.144 46.446 45.100 0.337 0.000 1.134 477 G HN 1.474 nan 8.290 nan 0.000 0.511 478 S N -2.181 113.618 115.700 0.164 0.000 2.688 478 S HA 0.787 5.257 4.470 0.000 0.000 0.275 478 S C -0.949 173.648 174.600 -0.005 0.000 1.175 478 S CA 0.140 58.381 58.200 0.068 0.000 0.818 478 S CB 2.255 65.483 63.200 0.048 0.000 1.157 478 S HN 1.630 nan 8.310 nan 0.000 0.482 479 V N 1.320 121.199 119.914 -0.057 0.000 2.841 479 V HA 0.863 4.983 4.120 0.000 0.000 0.310 479 V C -1.097 174.914 176.094 -0.138 0.000 1.090 479 V CA -0.084 62.154 62.300 -0.104 0.000 0.930 479 V CB 1.968 33.708 31.823 -0.138 0.000 1.014 479 V HN 0.890 nan 8.190 nan 0.000 0.425 480 S N 6.245 121.843 115.700 -0.170 0.000 2.526 480 S HA 0.724 5.194 4.470 0.000 0.000 0.293 480 S C -0.804 173.578 174.600 -0.365 0.000 1.092 480 S CA -0.447 57.565 58.200 -0.313 0.000 0.980 480 S CB 1.558 64.584 63.200 -0.291 0.000 1.048 480 S HN 0.638 nan 8.310 nan 0.000 0.483 481 I N 2.496 122.779 120.570 -0.477 0.000 2.495 481 I HA 0.304 4.474 4.170 0.000 0.000 0.277 481 I C -1.321 174.544 176.117 -0.419 0.000 1.045 481 I CA -0.399 60.687 61.300 -0.357 0.000 1.135 481 I CB 0.855 38.710 38.000 -0.243 0.000 1.241 481 I HN 0.567 nan 8.210 nan 0.000 0.469 482 W N 6.847 128.041 121.300 -0.175 0.000 2.287 482 W HA 0.532 5.192 4.660 -0.000 0.000 0.313 482 W C 0.147 176.543 176.519 -0.204 0.000 1.267 482 W CA -0.393 56.922 57.345 -0.051 0.000 1.201 482 W CB 0.973 30.539 29.460 0.176 0.000 1.196 482 W HN 0.221 nan 8.180 nan 0.000 0.536 483 V N 0.637 120.401 119.914 -0.249 0.000 3.159 483 V HA 0.488 4.608 4.120 0.000 0.000 0.308 483 V C -0.780 174.650 176.094 -1.107 0.000 1.190 483 V CA -1.355 60.331 62.300 -1.023 0.000 1.037 483 V CB 2.136 33.149 31.823 -1.349 0.000 1.060 483 V HN 0.462 nan 8.190 nan 0.000 0.437 484 N N 1.931 119.769 118.700 -1.437 0.000 3.298 484 N HA 0.266 5.006 4.740 0.000 0.000 0.292 484 N C -0.059 175.257 175.510 -0.324 0.000 1.271 484 N CA -0.357 52.216 53.050 -0.794 0.000 1.184 484 N CB -0.297 37.861 38.487 -0.547 0.000 1.452 484 N HN 0.906 nan 8.380 nan 0.000 0.534 485 K N 0.000 120.236 120.400 -0.273 0.000 2.780 485 K HA 0.000 4.320 4.320 0.000 0.000 0.191 485 K CA 0.000 56.239 56.287 -0.081 0.000 0.838 485 K CB 0.000 32.436 32.500 -0.107 0.000 1.064 485 K HN 0.000 nan 8.250 nan 0.000 0.543