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 1dzl_1_A DATA FIRST_RESID 20 DATA SEQUENCE KVVSTDEYVA RTNIYYHAGT SRLLAVGHPY FPIKKPNNNK ILVPKVSGLQ DATA SEQUENCE YRVFRIHLPD PNKFGFPDTS FYNPDTQRLV WACVGVEVGR GQPLGVGISG DATA SEQUENCE HPLLNKLDDT ENASAYAANA GVDNRECISM DYKQTQLCLI GCKPPIGEHW DATA SEQUENCE GKGSPCTQVA VQPGDCPPLE LINTVIQDGD MVDTGFGAMD FTTLQANKSE DATA SEQUENCE VPLDICTSIC KYPDYIKMVS EPYGDSLFFY LRREQMFVRH LFNRAGTVGE DATA SEQUENCE NVPDDLYIKG SGSTANLASS NYFPTPSGSM VTSDAQIFNK PYWLQRAQGH DATA SEQUENCE NNGICWGNQL FVTVVDTTRS TNMSLCAAIS TSETTYKNTN FKEYLRHGEE DATA SEQUENCE YDLQFIFQLC KITLTADVMT YIHSMNSTIL EDWNFGLQPP PGGTLEDTYR DATA SEQUENCE FVTSQAIACQ KHTPPAPKED PLKKYTFWEV NLKEKFSADL DQFPLGRKFL DATA SEQUENCE LQLGL 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 20 K HA 0.000 nan 4.320 nan 0.000 0.191 20 K C 0.000 176.609 176.600 0.015 0.000 0.988 20 K CA 0.000 56.290 56.287 0.004 0.000 0.838 20 K CB 0.000 32.510 32.500 0.017 0.000 1.064 21 V N 1.300 121.153 119.914 -0.102 0.000 2.973 21 V HA 0.884 5.004 4.120 -0.000 0.000 0.314 21 V C 0.381 176.302 176.094 -0.289 0.000 1.066 21 V CA -0.502 61.680 62.300 -0.196 0.000 1.021 21 V CB 1.579 33.025 31.823 -0.627 0.000 1.076 21 V HN 1.091 nan 8.190 nan 0.000 0.462 22 V N -0.429 119.398 119.914 -0.144 0.000 3.087 22 V HA 0.557 4.677 4.120 -0.000 0.000 0.306 22 V C -0.098 176.270 176.094 0.457 0.000 1.187 22 V CA -0.799 61.564 62.300 0.104 0.000 0.999 22 V CB 1.627 33.500 31.823 0.084 0.000 1.049 22 V HN 0.916 nan 8.190 nan 0.000 0.431 23 S N 1.235 117.261 115.700 0.544 0.000 2.552 23 S HA 0.061 4.531 4.470 -0.000 0.000 0.289 23 S C 1.625 176.364 174.600 0.233 0.000 1.304 23 S CA 0.552 59.003 58.200 0.418 0.000 1.063 23 S CB 0.935 64.282 63.200 0.245 0.000 0.848 23 S HN 1.717 nan 8.310 nan 0.000 0.499 24 T N 1.670 116.286 114.554 0.102 0.000 2.721 24 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 24 T C 1.036 175.427 174.700 -0.515 0.000 1.038 24 T CA 1.844 63.666 62.100 -0.464 0.000 1.145 24 T CB -0.978 67.803 68.868 -0.144 0.000 0.858 24 T HN 0.738 nan 8.240 nan 0.000 0.459 25 D N 1.418 121.725 120.400 -0.155 0.000 2.239 25 D HA -0.132 4.508 4.640 -0.000 0.000 0.202 25 D C 2.179 178.443 176.300 -0.060 0.000 0.993 25 D CA 1.161 55.111 54.000 -0.084 0.000 0.874 25 D CB -0.289 40.508 40.800 -0.004 0.000 0.922 25 D HN 0.521 nan 8.370 nan 0.000 0.464 26 E N 0.130 120.316 120.200 -0.023 0.000 2.031 26 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 26 E C 2.246 178.942 176.600 0.160 0.000 0.994 26 E CA 1.094 57.559 56.400 0.108 0.000 0.800 26 E CB -0.383 29.457 29.700 0.234 0.000 0.752 26 E HN 0.602 nan 8.360 nan 0.000 0.447 27 Y N -0.671 119.684 120.300 0.091 0.000 2.509 27 Y HA 0.277 4.827 4.550 -0.000 0.000 0.270 27 Y C 0.999 176.988 175.900 0.148 0.000 1.103 27 Y CA -0.530 57.640 58.100 0.116 0.000 1.278 27 Y CB -0.474 38.081 38.460 0.159 0.000 1.087 27 Y HN -0.328 nan 8.280 nan 0.000 0.542 28 V N 2.236 122.071 119.914 -0.131 0.000 2.432 28 V HA 0.671 4.791 4.120 -0.000 0.000 0.275 28 V C 0.335 176.413 176.094 -0.026 0.000 1.043 28 V CA -1.065 61.205 62.300 -0.051 0.000 0.925 28 V CB 0.457 32.187 31.823 -0.155 0.000 0.985 28 V HN 0.393 nan 8.190 nan 0.000 0.466 29 A N 6.405 129.230 122.820 0.008 0.000 2.301 29 A HA 0.704 5.024 4.320 -0.000 0.000 0.312 29 A C 0.131 177.699 177.584 -0.027 0.000 1.182 29 A CA -0.723 51.315 52.037 0.002 0.000 0.826 29 A CB 0.523 19.538 19.000 0.025 0.000 1.134 29 A HN 0.746 nan 8.150 nan 0.000 0.501 30 R N 1.610 122.093 120.500 -0.028 0.000 2.312 30 R HA 0.428 4.768 4.340 -0.000 0.000 0.311 30 R C 0.415 176.675 176.300 -0.067 0.000 1.004 30 R CA -0.096 55.972 56.100 -0.053 0.000 0.902 30 R CB 1.468 31.750 30.300 -0.031 0.000 1.073 30 R HN 0.915 nan 8.270 nan 0.000 0.457 31 T N -1.860 112.613 114.554 -0.134 0.000 2.849 31 T HA 0.141 4.491 4.350 -0.000 0.000 0.276 31 T C 0.728 175.291 174.700 -0.228 0.000 0.971 31 T CA -0.625 61.377 62.100 -0.163 0.000 0.949 31 T CB 1.023 69.741 68.868 -0.250 0.000 1.093 31 T HN 0.631 nan 8.240 nan 0.000 0.545 32 N N -0.467 118.118 118.700 -0.191 0.000 2.276 32 N HA 0.187 4.927 4.740 -0.000 0.000 0.212 32 N C -0.378 175.006 175.510 -0.209 0.000 1.127 32 N CA -0.398 52.577 53.050 -0.125 0.000 0.834 32 N CB -0.022 38.459 38.487 -0.010 0.000 1.014 32 N HN 0.457 nan 8.380 nan 0.000 0.491 33 I N 1.511 121.848 120.570 -0.389 0.000 2.353 33 I HA 0.266 4.435 4.170 -0.000 0.000 0.293 33 I C -0.620 175.276 176.117 -0.369 0.000 0.992 33 I CA -0.599 60.541 61.300 -0.266 0.000 1.268 33 I CB -0.107 37.755 38.000 -0.229 0.000 1.387 33 I HN -0.032 nan 8.210 nan 0.000 0.478 34 Y N 5.225 125.575 120.300 0.084 0.000 2.512 34 Y HA 0.612 5.161 4.550 -0.000 0.000 0.348 34 Y C -0.762 175.130 175.900 -0.013 0.000 0.990 34 Y CA -0.689 57.465 58.100 0.091 0.000 1.033 34 Y CB 2.195 40.669 38.460 0.024 0.000 1.259 34 Y HN 0.365 nan 8.280 nan 0.000 0.461 35 Y N 0.790 121.157 120.300 0.112 0.000 2.553 35 Y HA 0.369 4.919 4.550 -0.000 0.000 0.347 35 Y C -0.529 175.228 175.900 -0.239 0.000 1.019 35 Y CA -1.054 57.008 58.100 -0.063 0.000 1.032 35 Y CB 1.876 40.255 38.460 -0.136 0.000 1.284 35 Y HN 0.619 nan 8.280 nan 0.000 0.466 36 H N 1.729 120.638 119.070 -0.269 0.000 2.573 36 H HA 0.917 5.473 4.556 -0.000 0.000 0.351 36 H C -1.778 173.216 175.328 -0.557 0.000 1.163 36 H CA -0.590 55.190 56.048 -0.447 0.000 1.205 36 H CB 1.793 31.134 29.762 -0.701 0.000 1.605 36 H HN 0.843 nan 8.280 nan 0.000 0.525 37 A N 2.003 123.962 122.820 -1.435 0.000 2.594 37 A HA 0.647 4.967 4.320 -0.000 0.000 0.296 37 A C -1.065 176.170 177.584 -0.582 0.000 1.061 37 A CA -0.042 51.489 52.037 -0.844 0.000 0.689 37 A CB 1.568 20.135 19.000 -0.721 0.000 1.280 37 A HN 1.060 nan 8.150 nan 0.000 0.406 38 G N -0.080 108.626 108.800 -0.157 0.000 2.655 38 G HA2 0.648 4.608 3.960 -0.000 0.000 0.296 38 G HA3 0.648 4.608 3.960 -0.000 0.000 0.296 38 G C -0.308 174.650 174.900 0.096 0.000 1.485 38 G CA 0.341 45.457 45.100 0.028 0.000 0.869 38 G HN 1.740 nan 8.290 nan 0.000 0.540 39 T N -0.825 113.770 114.554 0.068 0.000 2.855 39 T HA 0.360 4.710 4.350 -0.000 0.000 0.314 39 T C 1.895 176.631 174.700 0.060 0.000 1.077 39 T CA 1.042 63.173 62.100 0.052 0.000 1.095 39 T CB 0.756 69.613 68.868 -0.019 0.000 0.987 39 T HN 1.182 nan 8.240 nan 0.000 0.546 40 S N 2.605 118.349 115.700 0.073 0.000 2.329 40 S HA 0.060 4.530 4.470 -0.000 0.000 0.215 40 S C 1.039 175.669 174.600 0.050 0.000 1.031 40 S CA 0.445 58.690 58.200 0.076 0.000 0.985 40 S CB -0.357 62.892 63.200 0.082 0.000 0.917 40 S HN 0.979 nan 8.310 nan 0.000 0.441 41 R N 0.231 120.759 120.500 0.046 0.000 3.325 41 R HA 0.210 4.550 4.340 -0.000 0.000 0.296 41 R C -2.004 174.333 176.300 0.060 0.000 1.157 41 R CA -0.276 55.846 56.100 0.037 0.000 1.156 41 R CB 0.188 30.514 30.300 0.043 0.000 1.293 41 R HN 0.296 nan 8.270 nan 0.000 0.405 42 L N 4.464 125.706 121.223 0.032 0.000 2.371 42 L HA 0.479 4.819 4.340 -0.000 0.000 0.272 42 L C -0.461 176.499 176.870 0.151 0.000 1.124 42 L CA -0.662 54.214 54.840 0.060 0.000 0.816 42 L CB 1.003 42.928 42.059 -0.223 0.000 1.129 42 L HN 0.448 nan 8.230 nan 0.000 0.448 43 L N 2.608 123.992 121.223 0.268 0.000 2.445 43 L HA 0.773 5.113 4.340 -0.000 0.000 0.262 43 L C -0.617 176.434 176.870 0.300 0.000 0.974 43 L CA -0.407 54.576 54.840 0.237 0.000 0.822 43 L CB 1.956 44.103 42.059 0.147 0.000 1.339 43 L HN 0.714 nan 8.230 nan 0.000 0.409 44 A N 3.119 126.062 122.820 0.204 0.000 2.459 44 A HA 0.852 5.172 4.320 -0.000 0.000 0.296 44 A C -1.820 175.776 177.584 0.021 0.000 1.039 44 A CA -0.487 51.619 52.037 0.116 0.000 0.698 44 A CB 1.747 20.834 19.000 0.145 0.000 1.261 44 A HN 0.376 nan 8.150 nan 0.000 0.405 45 V N 1.494 121.405 119.914 -0.004 0.000 2.709 45 V HA 0.933 5.053 4.120 -0.000 0.000 0.308 45 V C 0.567 176.653 176.094 -0.013 0.000 1.062 45 V CA 0.522 62.808 62.300 -0.024 0.000 0.901 45 V CB 1.918 33.733 31.823 -0.014 0.000 1.003 45 V HN 1.782 nan 8.190 nan 0.000 0.425 46 G N 1.867 110.666 108.800 -0.002 0.000 2.500 46 G HA2 0.309 4.269 3.960 -0.000 0.000 0.299 46 G HA3 0.309 4.269 3.960 -0.000 0.000 0.299 46 G C -1.576 173.352 174.900 0.048 0.000 1.242 46 G CA -0.557 44.559 45.100 0.025 0.000 0.859 46 G HN 0.677 nan 8.290 nan 0.000 0.481 47 H N 2.194 121.241 119.070 -0.038 0.000 2.562 47 H HA 0.358 4.914 4.556 -0.000 0.000 0.314 47 H C -1.462 173.843 175.328 -0.039 0.000 1.079 47 H CA -1.676 54.323 56.048 -0.082 0.000 1.349 47 H CB 2.398 31.991 29.762 -0.281 0.000 1.432 47 H HN 0.122 nan 8.280 nan 0.000 0.479 48 P HA -0.140 nan 4.420 nan 0.000 0.226 48 P C 0.088 177.309 177.300 -0.132 0.000 1.146 48 P CA 1.276 64.282 63.100 -0.157 0.000 0.773 48 P CB 0.175 31.734 31.700 -0.235 0.000 0.772 49 Y N -1.250 119.180 120.300 0.217 0.000 2.585 49 Y HA 0.278 4.828 4.550 -0.000 0.000 0.272 49 Y C 1.081 177.198 175.900 0.361 0.000 1.119 49 Y CA -0.236 58.054 58.100 0.318 0.000 1.255 49 Y CB 0.467 39.209 38.460 0.470 0.000 1.284 49 Y HN -0.153 nan 8.280 nan 0.000 0.499 50 F N -2.601 117.597 119.950 0.414 0.000 2.770 50 F HA 0.677 5.204 4.527 -0.000 0.000 0.313 50 F C -3.455 172.360 175.800 0.024 0.000 1.154 50 F CA -2.882 55.181 58.000 0.105 0.000 0.923 50 F CB 0.700 39.696 39.000 -0.008 0.000 1.301 50 F HN -0.380 nan 8.300 nan 0.000 0.449 51 P HA 0.335 nan 4.420 nan 0.000 0.274 51 P C -0.897 176.507 177.300 0.175 0.000 1.231 51 P CA -0.001 63.175 63.100 0.126 0.000 0.790 51 P CB 1.711 33.475 31.700 0.106 0.000 0.951 52 I N 2.695 123.317 120.570 0.086 0.000 2.371 52 I HA 0.280 4.449 4.170 -0.000 0.000 0.282 52 I C 0.735 176.895 176.117 0.072 0.000 1.031 52 I CA -0.250 61.111 61.300 0.101 0.000 1.180 52 I CB 0.439 38.480 38.000 0.068 0.000 1.336 52 I HN 0.351 nan 8.210 nan 0.000 0.467 53 K N 4.072 124.514 120.400 0.071 0.000 2.400 53 K HA 0.718 5.038 4.320 -0.000 0.000 0.246 53 K C -0.496 176.124 176.600 0.034 0.000 0.995 53 K CA -1.317 54.995 56.287 0.041 0.000 0.840 53 K CB 1.326 33.845 32.500 0.031 0.000 1.293 53 K HN 0.036 nan 8.250 nan 0.000 0.445 54 K N 1.999 122.412 120.400 0.021 0.000 2.484 54 K HA 0.038 4.358 4.320 -0.000 0.000 0.280 54 K C -1.674 174.933 176.600 0.011 0.000 1.013 54 K CA -1.283 55.013 56.287 0.016 0.000 1.029 54 K CB 0.439 32.945 32.500 0.009 0.000 0.902 54 K HN 0.398 nan 8.250 nan 0.000 0.481 55 P HA -0.240 nan 4.420 nan 0.000 0.215 55 P C 0.032 177.329 177.300 -0.004 0.000 1.163 55 P CA 2.025 65.126 63.100 0.000 0.000 0.894 55 P CB -0.124 31.576 31.700 0.001 0.000 0.791 56 N N -1.107 117.592 118.700 -0.002 0.000 2.148 56 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 56 N C 1.547 177.055 175.510 -0.005 0.000 1.031 56 N CA 0.423 53.470 53.050 -0.005 0.000 0.848 56 N CB -1.045 37.440 38.487 -0.003 0.000 1.005 56 N HN 0.011 nan 8.380 nan 0.000 0.427 57 N N 0.520 119.218 118.700 -0.002 0.000 2.224 57 N HA 0.006 4.746 4.740 -0.000 0.000 0.265 57 N C 0.375 175.883 175.510 -0.003 0.000 1.278 57 N CA 1.026 54.075 53.050 -0.003 0.000 0.924 57 N CB 0.039 38.526 38.487 -0.001 0.000 1.006 57 N HN 0.568 nan 8.380 nan 0.000 0.452 58 N N -2.176 116.522 118.700 -0.002 0.000 1.910 58 N HA -0.072 4.668 4.740 -0.000 0.000 0.254 58 N C -0.746 174.763 175.510 -0.001 0.000 1.331 58 N CA -0.267 52.782 53.050 -0.002 0.000 0.775 58 N CB 0.350 38.833 38.487 -0.007 0.000 1.288 58 N HN 0.225 nan 8.380 nan 0.000 0.522 59 K N 2.710 123.108 120.400 -0.003 0.000 2.437 59 K HA 0.038 4.358 4.320 -0.000 0.000 0.277 59 K C 0.297 176.897 176.600 0.001 0.000 1.073 59 K CA -0.067 56.217 56.287 -0.005 0.000 1.105 59 K CB 0.405 32.901 32.500 -0.006 0.000 0.881 59 K HN 0.215 nan 8.250 nan 0.000 0.475 60 I N 6.343 126.912 120.570 -0.001 0.000 2.471 60 I HA -0.099 4.071 4.170 -0.000 0.000 0.294 60 I C 1.362 177.481 176.117 0.002 0.000 1.123 60 I CA 0.080 61.383 61.300 0.006 0.000 1.336 60 I CB -0.548 37.453 38.000 0.001 0.000 1.430 60 I HN 0.632 nan 8.210 nan 0.000 0.533 61 L N 7.319 128.548 121.223 0.011 0.000 2.056 61 L HA 0.069 4.409 4.340 -0.000 0.000 0.207 61 L C 0.669 177.541 176.870 0.004 0.000 1.078 61 L CA 1.667 56.511 54.840 0.006 0.000 0.749 61 L CB 0.317 42.383 42.059 0.013 0.000 0.901 61 L HN 0.448 nan 8.230 nan 0.000 0.433 62 V N 1.014 120.937 119.914 0.015 0.000 2.638 62 V HA 0.465 4.585 4.120 -0.000 0.000 0.306 62 V C -2.448 173.658 176.094 0.022 0.000 1.052 62 V CA -1.370 60.939 62.300 0.015 0.000 0.885 62 V CB 1.932 33.771 31.823 0.026 0.000 0.999 62 V HN 0.072 nan 8.190 nan 0.000 0.424 63 P HA 0.315 nan 4.420 nan 0.000 0.285 63 P C -1.111 176.211 177.300 0.038 0.000 1.269 63 P CA -0.879 62.228 63.100 0.012 0.000 0.844 63 P CB 1.178 32.862 31.700 -0.025 0.000 1.094 64 K N 1.212 121.644 120.400 0.054 0.000 2.368 64 K HA 0.295 4.615 4.320 -0.000 0.000 0.282 64 K C -1.159 175.479 176.600 0.063 0.000 1.035 64 K CA -0.140 56.198 56.287 0.085 0.000 0.973 64 K CB 0.109 32.674 32.500 0.109 0.000 0.957 64 K HN 0.235 nan 8.250 nan 0.000 0.474 65 V N 3.850 123.811 119.914 0.078 0.000 2.498 65 V HA 0.153 4.273 4.120 -0.000 0.000 0.283 65 V C -0.765 175.439 176.094 0.184 0.000 1.015 65 V CA -0.658 61.694 62.300 0.085 0.000 0.867 65 V CB 1.341 33.189 31.823 0.041 0.000 1.025 65 V HN 0.883 nan 8.190 nan 0.000 0.441 66 S N 3.061 118.864 115.700 0.172 0.000 2.570 66 S HA 0.664 5.134 4.470 -0.000 0.000 0.286 66 S C 1.103 175.818 174.600 0.191 0.000 1.099 66 S CA 0.149 58.452 58.200 0.173 0.000 0.913 66 S CB 2.116 65.312 63.200 -0.007 0.000 1.085 66 S HN 0.931 nan 8.310 nan 0.000 0.480 67 G N 0.937 109.834 108.800 0.162 0.000 2.708 67 G HA2 0.094 4.054 3.960 -0.000 0.000 0.210 67 G HA3 0.094 4.054 3.960 -0.000 0.000 0.210 67 G C 0.543 175.490 174.900 0.078 0.000 1.141 67 G CA 0.387 45.598 45.100 0.184 0.000 0.788 67 G HN 0.632 nan 8.290 nan 0.000 0.531 68 L N -0.229 121.013 121.223 0.031 0.000 2.769 68 L HA 0.297 4.637 4.340 -0.000 0.000 0.240 68 L C 0.877 177.726 176.870 -0.035 0.000 1.163 68 L CA 0.053 54.877 54.840 -0.027 0.000 0.962 68 L CB 0.332 42.357 42.059 -0.056 0.000 1.258 68 L HN 0.105 nan 8.230 nan 0.000 0.513 69 Q N -0.492 119.323 119.800 0.025 0.000 2.243 69 Q HA 0.260 4.600 4.340 -0.000 0.000 0.252 69 Q C -1.041 175.005 176.000 0.075 0.000 0.909 69 Q CA -0.662 55.181 55.803 0.067 0.000 0.922 69 Q CB 1.031 29.816 28.738 0.079 0.000 1.215 69 Q HN 0.089 nan 8.270 nan 0.000 0.427 70 Y N 2.080 122.410 120.300 0.050 0.000 2.587 70 Y HA 0.008 4.558 4.550 -0.000 0.000 0.344 70 Y C 0.398 176.318 175.900 0.033 0.000 1.061 70 Y CA 0.145 58.278 58.100 0.054 0.000 1.370 70 Y CB 0.325 38.806 38.460 0.035 0.000 1.163 70 Y HN 0.225 nan 8.280 nan 0.000 0.527 71 R N 3.561 124.173 120.500 0.187 0.000 2.242 71 R HA 0.298 4.638 4.340 -0.000 0.000 0.334 71 R C -1.213 175.063 176.300 -0.041 0.000 1.071 71 R CA -0.368 55.749 56.100 0.027 0.000 0.922 71 R CB 0.220 30.596 30.300 0.126 0.000 1.023 71 R HN 0.375 nan 8.270 nan 0.000 0.458 72 V N 5.297 125.065 119.914 -0.243 0.000 2.448 72 V HA 0.505 4.625 4.120 -0.000 0.000 0.295 72 V C -0.453 175.415 176.094 -0.377 0.000 1.025 72 V CA -0.810 61.414 62.300 -0.126 0.000 0.859 72 V CB 1.472 33.350 31.823 0.093 0.000 0.988 72 V HN 0.409 nan 8.190 nan 0.000 0.431 73 F N 2.921 122.963 119.950 0.153 0.000 2.467 73 F HA 0.573 5.099 4.527 -0.000 0.000 0.336 73 F C 0.526 176.261 175.800 -0.109 0.000 1.123 73 F CA -0.757 57.301 58.000 0.097 0.000 0.964 73 F CB 1.696 40.729 39.000 0.056 0.000 1.136 73 F HN 0.266 nan 8.300 nan 0.000 0.447 74 R N 4.212 124.696 120.500 -0.027 0.000 2.391 74 R HA 0.414 4.754 4.340 -0.000 0.000 0.310 74 R C -1.129 174.959 176.300 -0.354 0.000 1.174 74 R CA -0.657 55.181 56.100 -0.438 0.000 1.118 74 R CB 0.031 30.154 30.300 -0.296 0.000 1.134 74 R HN 0.584 nan 8.270 nan 0.000 0.524 75 I N 4.526 124.872 120.570 -0.373 0.000 2.379 75 I HA 0.103 4.273 4.170 -0.000 0.000 0.290 75 I C 0.689 176.572 176.117 -0.389 0.000 1.063 75 I CA -0.011 61.132 61.300 -0.262 0.000 1.351 75 I CB 0.336 38.190 38.000 -0.243 0.000 1.410 75 I HN 0.177 nan 8.210 nan 0.000 0.505 76 H N 7.153 126.154 119.070 -0.116 0.000 2.527 76 H HA 0.541 5.097 4.556 -0.000 0.000 0.321 76 H C -0.383 174.858 175.328 -0.145 0.000 1.087 76 H CA -0.447 55.537 56.048 -0.107 0.000 1.337 76 H CB 1.218 30.954 29.762 -0.043 0.000 1.440 76 H HN 0.414 nan 8.280 nan 0.000 0.490 77 L N 5.009 126.193 121.223 -0.065 0.000 2.333 77 L HA 0.411 4.751 4.340 -0.000 0.000 0.269 77 L C -2.199 174.589 176.870 -0.137 0.000 1.010 77 L CA -2.235 52.483 54.840 -0.203 0.000 0.818 77 L CB 1.839 43.715 42.059 -0.305 0.000 1.306 77 L HN 0.431 nan 8.230 nan 0.000 0.430 78 P HA 0.020 nan 4.420 nan 0.000 0.279 78 P C -1.075 176.263 177.300 0.065 0.000 1.239 78 P CA -0.289 62.727 63.100 -0.141 0.000 0.789 78 P CB 0.820 32.361 31.700 -0.264 0.000 0.933 79 D N 4.699 125.147 120.400 0.080 0.000 2.434 79 D HA -0.008 4.632 4.640 -0.000 0.000 0.252 79 D C -1.190 175.162 176.300 0.087 0.000 1.185 79 D CA -1.633 52.431 54.000 0.107 0.000 0.886 79 D CB 0.771 41.634 40.800 0.105 0.000 1.148 79 D HN 0.178 nan 8.370 nan 0.000 0.483 80 P HA -0.182 nan 4.420 nan 0.000 0.214 80 P C 0.992 178.353 177.300 0.101 0.000 1.163 80 P CA 1.123 64.094 63.100 -0.216 0.000 0.883 80 P CB 0.229 31.434 31.700 -0.825 0.000 0.788 81 N N 0.277 118.978 118.700 0.002 0.000 2.149 81 N HA -0.173 4.567 4.740 -0.000 0.000 0.188 81 N C 1.797 177.388 175.510 0.134 0.000 1.019 81 N CA 1.278 54.356 53.050 0.046 0.000 0.857 81 N CB -0.380 38.069 38.487 -0.064 0.000 0.997 81 N HN 0.303 nan 8.380 nan 0.000 0.426 82 K N -0.059 120.407 120.400 0.110 0.000 2.296 82 K HA 0.025 4.345 4.320 -0.000 0.000 0.200 82 K C 0.394 177.030 176.600 0.061 0.000 1.048 82 K CA -0.154 56.179 56.287 0.077 0.000 0.966 82 K CB -0.016 32.513 32.500 0.049 0.000 0.754 82 K HN -0.005 nan 8.250 nan 0.000 0.466 83 F N 0.757 120.653 119.950 -0.091 0.000 2.553 83 F HA 0.176 4.702 4.527 -0.000 0.000 0.356 83 F C 0.718 176.324 175.800 -0.324 0.000 1.142 83 F CA -0.219 57.599 58.000 -0.302 0.000 1.322 83 F CB 0.661 39.323 39.000 -0.565 0.000 1.126 83 F HN -0.080 nan 8.300 nan 0.000 0.599 84 G N 6.148 114.436 108.800 -0.853 0.000 2.404 84 G HA2 0.419 4.379 3.960 -0.000 0.000 0.316 84 G HA3 0.419 4.379 3.960 -0.000 0.000 0.316 84 G C -1.230 173.518 174.900 -0.253 0.000 1.074 84 G CA -0.394 44.472 45.100 -0.390 0.000 0.989 84 G HN 0.476 nan 8.290 nan 0.000 0.430 85 F N 2.401 122.578 119.950 0.378 0.000 2.380 85 F HA 0.425 4.952 4.527 -0.000 0.000 0.321 85 F C -0.175 175.805 175.800 0.300 0.000 1.103 85 F CA -1.771 56.508 58.000 0.465 0.000 1.067 85 F CB 1.380 40.657 39.000 0.460 0.000 1.265 85 F HN 0.318 nan 8.300 nan 0.000 0.517 86 P HA -0.084 nan 4.420 nan 0.000 0.211 86 P C -0.323 177.160 177.300 0.305 0.000 1.191 86 P CA 1.033 64.324 63.100 0.318 0.000 0.909 86 P CB 0.015 31.882 31.700 0.278 0.000 0.770 87 D N -0.434 120.162 120.400 0.326 0.000 2.175 87 D HA 0.232 4.872 4.640 -0.000 0.000 0.248 87 D C 0.252 176.840 176.300 0.481 0.000 1.047 87 D CA -0.166 54.020 54.000 0.309 0.000 0.883 87 D CB 1.074 42.023 40.800 0.249 0.000 1.180 87 D HN 0.054 nan 8.370 nan 0.000 0.438 88 T N -0.908 113.865 114.554 0.365 0.000 3.111 88 T HA 0.081 4.431 4.350 -0.000 0.000 0.284 88 T C 1.536 176.156 174.700 -0.133 0.000 0.983 88 T CA 0.266 62.521 62.100 0.258 0.000 0.900 88 T CB -0.232 68.737 68.868 0.168 0.000 1.132 88 T HN 0.292 nan 8.240 nan 0.000 0.531 89 S N 2.837 118.576 115.700 0.064 0.000 2.355 89 S HA -0.172 4.298 4.470 -0.000 0.000 0.222 89 S C 1.943 176.477 174.600 -0.111 0.000 1.031 89 S CA 1.128 59.307 58.200 -0.035 0.000 0.993 89 S CB -1.314 61.928 63.200 0.070 0.000 0.859 89 S HN 0.615 nan 8.310 nan 0.000 0.453 90 F N 2.347 122.324 119.950 0.045 0.000 2.192 90 F HA -0.052 4.475 4.527 -0.000 0.000 0.300 90 F C 0.800 176.665 175.800 0.108 0.000 1.051 90 F CA 0.289 58.318 58.000 0.048 0.000 1.309 90 F CB -1.641 37.364 39.000 0.008 0.000 1.056 90 F HN 0.567 nan 8.300 nan 0.000 0.505 91 Y N -0.775 119.050 120.300 -0.793 0.000 2.644 91 Y HA 0.608 5.158 4.550 -0.000 0.000 0.338 91 Y C -1.521 174.131 175.900 -0.413 0.000 1.119 91 Y CA -2.968 54.830 58.100 -0.504 0.000 1.060 91 Y CB 0.645 38.794 38.460 -0.518 0.000 1.294 91 Y HN -0.076 nan 8.280 nan 0.000 0.472 92 N N 3.254 121.589 118.700 -0.608 0.000 2.476 92 N HA 0.429 5.169 4.740 -0.000 0.000 0.257 92 N C -2.306 172.836 175.510 -0.613 0.000 0.970 92 N CA -2.957 49.707 53.050 -0.642 0.000 0.938 92 N CB 1.866 40.181 38.487 -0.286 0.000 1.144 92 N HN 0.512 nan 8.380 nan 0.000 0.500 93 P HA 0.016 nan 4.420 nan 0.000 0.230 93 P C -0.321 176.900 177.300 -0.132 0.000 1.158 93 P CA 0.770 63.682 63.100 -0.313 0.000 0.769 93 P CB 0.520 32.048 31.700 -0.285 0.000 0.807 94 D N -0.811 119.494 120.400 -0.160 0.000 2.339 94 D HA 0.021 4.661 4.640 -0.000 0.000 0.217 94 D C 1.209 177.473 176.300 -0.060 0.000 1.050 94 D CA 0.940 54.890 54.000 -0.084 0.000 0.856 94 D CB 0.004 40.746 40.800 -0.096 0.000 0.922 94 D HN 0.288 nan 8.370 nan 0.000 0.518 95 T N -3.529 110.989 114.554 -0.060 0.000 3.092 95 T HA 0.101 4.451 4.350 -0.000 0.000 0.273 95 T C 0.575 175.278 174.700 0.005 0.000 0.898 95 T CA -0.478 61.605 62.100 -0.028 0.000 0.868 95 T CB 0.827 69.672 68.868 -0.038 0.000 1.228 95 T HN 0.127 nan 8.240 nan 0.000 0.555 96 Q N -0.063 119.749 119.800 0.020 0.000 2.648 96 Q HA 0.696 5.036 4.340 -0.000 0.000 0.300 96 Q C -1.743 174.233 176.000 -0.039 0.000 0.954 96 Q CA -1.287 54.531 55.803 0.025 0.000 0.757 96 Q CB 1.702 30.486 28.738 0.078 0.000 1.482 96 Q HN -0.112 nan 8.270 nan 0.000 0.437 97 R N 0.355 120.714 120.500 -0.236 0.000 2.854 97 R HA 0.647 4.987 4.340 -0.000 0.000 0.271 97 R C -0.714 175.337 176.300 -0.416 0.000 0.996 97 R CA -0.850 54.915 56.100 -0.559 0.000 0.961 97 R CB 1.536 30.906 30.300 -1.549 0.000 1.182 97 R HN 0.652 nan 8.270 nan 0.000 0.479 98 L N 1.367 122.327 121.223 -0.438 0.000 2.343 98 L HA 0.657 4.997 4.340 -0.000 0.000 0.275 98 L C -0.237 176.525 176.870 -0.181 0.000 1.056 98 L CA -1.000 53.609 54.840 -0.384 0.000 0.804 98 L CB 1.584 43.318 42.059 -0.542 0.000 1.203 98 L HN 0.138 nan 8.230 nan 0.000 0.440 99 V N -0.273 119.511 119.914 -0.216 0.000 2.925 99 V HA 0.365 4.485 4.120 -0.000 0.000 0.311 99 V C -1.130 174.820 176.094 -0.239 0.000 1.104 99 V CA -0.921 61.317 62.300 -0.102 0.000 0.954 99 V CB 2.052 33.905 31.823 0.049 0.000 1.022 99 V HN 0.662 nan 8.190 nan 0.000 0.427 100 W N 1.597 122.891 121.300 -0.010 0.000 2.315 100 W HA 0.695 5.355 4.660 -0.000 0.000 0.316 100 W C 0.176 176.695 176.519 0.001 0.000 1.211 100 W CA -0.367 56.979 57.345 0.001 0.000 1.201 100 W CB 1.576 31.016 29.460 -0.033 0.000 1.184 100 W HN 0.745 nan 8.180 nan 0.000 0.544 101 A N 3.781 126.883 122.820 0.470 0.000 2.335 101 A HA 0.495 4.814 4.320 -0.000 0.000 0.304 101 A C -1.027 176.670 177.584 0.187 0.000 1.118 101 A CA -0.633 51.518 52.037 0.190 0.000 0.757 101 A CB 0.678 19.708 19.000 0.050 0.000 1.188 101 A HN 0.720 nan 8.150 nan 0.000 0.460 102 C N 2.585 121.882 119.300 -0.004 0.000 2.539 102 C HA 0.614 5.074 4.460 -0.000 0.000 0.392 102 C C 1.223 176.019 174.990 -0.324 0.000 1.269 102 C CA 0.441 59.219 59.018 -0.400 0.000 2.250 102 C CB 0.183 27.668 27.740 -0.425 0.000 2.584 102 C HN 0.944 nan 8.230 nan 0.000 0.589 103 V N 3.295 122.990 119.914 -0.365 0.000 3.332 103 V HA 0.444 4.564 4.120 -0.000 0.000 0.263 103 V C 0.827 176.862 176.094 -0.098 0.000 1.562 103 V CA 0.523 62.712 62.300 -0.184 0.000 1.040 103 V CB -0.626 31.137 31.823 -0.100 0.000 0.857 103 V HN 1.063 nan 8.190 nan 0.000 0.428 104 G N 0.318 108.982 108.800 -0.226 0.000 2.701 104 G HA2 0.670 4.630 3.960 -0.000 0.000 0.300 104 G HA3 0.670 4.630 3.960 -0.000 0.000 0.300 104 G C -1.607 173.134 174.900 -0.265 0.000 1.410 104 G CA -0.508 44.543 45.100 -0.082 0.000 1.014 104 G HN 0.204 nan 8.290 nan 0.000 0.509 105 V N 0.749 120.468 119.914 -0.325 0.000 2.932 105 V HA 0.668 4.788 4.120 -0.000 0.000 0.307 105 V C -0.962 174.836 176.094 -0.494 0.000 1.147 105 V CA -0.992 61.101 62.300 -0.345 0.000 0.951 105 V CB 2.262 34.051 31.823 -0.057 0.000 1.031 105 V HN 0.743 nan 8.190 nan 0.000 0.426 106 E N 1.542 121.417 120.200 -0.542 0.000 2.263 106 E HA 0.535 4.885 4.350 -0.000 0.000 0.268 106 E C -1.780 174.607 176.600 -0.354 0.000 0.884 106 E CA -0.433 55.637 56.400 -0.549 0.000 0.766 106 E CB 2.799 32.207 29.700 -0.487 0.000 1.196 106 E HN 0.480 nan 8.360 nan 0.000 0.416 107 V N 2.404 122.234 119.914 -0.141 0.000 2.383 107 V HA 0.416 4.536 4.120 -0.000 0.000 0.275 107 V C 0.559 176.559 176.094 -0.156 0.000 1.036 107 V CA -0.436 61.808 62.300 -0.094 0.000 0.889 107 V CB 1.472 33.384 31.823 0.149 0.000 0.985 107 V HN 0.691 nan 8.190 nan 0.000 0.459 108 G N 5.312 113.963 108.800 -0.249 0.000 2.320 108 G HA2 0.541 4.501 3.960 -0.000 0.000 0.300 108 G HA3 0.541 4.501 3.960 -0.000 0.000 0.300 108 G C -0.304 174.385 174.900 -0.351 0.000 1.126 108 G CA -0.543 44.418 45.100 -0.230 0.000 0.896 108 G HN 0.425 nan 8.290 nan 0.000 0.436 109 R N 1.978 122.306 120.500 -0.287 0.000 2.337 109 R HA 0.381 4.721 4.340 -0.000 0.000 0.319 109 R C 1.033 177.236 176.300 -0.162 0.000 0.954 109 R CA -0.741 55.148 56.100 -0.352 0.000 0.840 109 R CB 1.449 31.558 30.300 -0.319 0.000 1.164 109 R HN 0.599 nan 8.270 nan 0.000 0.472 110 G N 1.656 110.384 108.800 -0.118 0.000 2.595 110 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.213 110 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.213 110 G C 0.332 175.223 174.900 -0.015 0.000 1.141 110 G CA 0.084 45.156 45.100 -0.046 0.000 0.806 110 G HN 0.287 nan 8.290 nan 0.000 0.530 111 Q N 1.152 120.950 119.800 -0.003 0.000 2.421 111 Q HA 0.217 4.557 4.340 -0.000 0.000 0.255 111 Q C -2.169 173.846 176.000 0.024 0.000 1.013 111 Q CA -1.961 53.856 55.803 0.022 0.000 0.895 111 Q CB 1.087 29.853 28.738 0.047 0.000 1.271 111 Q HN 0.202 nan 8.270 nan 0.000 0.460 112 P HA 0.036 nan 4.420 nan 0.000 0.271 112 P C -0.293 177.033 177.300 0.043 0.000 1.216 112 P CA -0.569 62.550 63.100 0.031 0.000 0.776 112 P CB 0.591 32.310 31.700 0.030 0.000 0.881 113 L N 2.318 123.565 121.223 0.040 0.000 2.543 113 L HA 0.361 4.701 4.340 -0.000 0.000 0.285 113 L C 1.202 178.101 176.870 0.048 0.000 1.236 113 L CA 1.775 56.644 54.840 0.048 0.000 0.871 113 L CB -0.834 41.250 42.059 0.041 0.000 1.121 113 L HN 0.808 nan 8.230 nan 0.000 0.501 114 G N 2.162 110.995 108.800 0.055 0.000 2.368 114 G HA2 0.533 4.492 3.960 -0.000 0.000 0.293 114 G HA3 0.533 4.492 3.960 -0.000 0.000 0.293 114 G C -1.636 173.290 174.900 0.043 0.000 1.467 114 G CA -0.128 45.001 45.100 0.047 0.000 0.804 114 G HN 0.734 nan 8.290 nan 0.000 0.535 115 V N -0.948 118.982 119.914 0.026 0.000 2.715 115 V HA 1.011 5.131 4.120 -0.000 0.000 0.310 115 V C 0.801 176.881 176.094 -0.024 0.000 1.054 115 V CA 0.161 62.467 62.300 0.009 0.000 0.928 115 V CB 1.290 33.122 31.823 0.014 0.000 1.007 115 V HN 1.584 nan 8.190 nan 0.000 0.437 116 G N 1.714 110.478 108.800 -0.061 0.000 2.574 116 G HA2 0.772 4.732 3.960 -0.000 0.000 0.248 116 G HA3 0.772 4.732 3.960 -0.000 0.000 0.248 116 G C -0.710 174.139 174.900 -0.084 0.000 1.422 116 G CA -0.390 44.643 45.100 -0.111 0.000 1.051 116 G HN 1.470 nan 8.290 nan 0.000 0.560 117 I N -1.385 119.120 120.570 -0.108 0.000 2.718 117 I HA 0.361 4.531 4.170 -0.000 0.000 0.285 117 I C -1.181 174.896 176.117 -0.066 0.000 1.680 117 I CA -0.303 60.931 61.300 -0.110 0.000 1.068 117 I CB 1.192 39.173 38.000 -0.032 0.000 1.544 117 I HN 0.548 nan 8.210 nan 0.000 0.443 118 S N 3.884 119.473 115.700 -0.185 0.000 2.709 118 S HA 1.062 5.532 4.470 -0.000 0.000 0.302 118 S C -0.194 174.483 174.600 0.128 0.000 1.127 118 S CA -0.133 58.108 58.200 0.068 0.000 0.905 118 S CB 1.998 65.171 63.200 -0.044 0.000 1.151 118 S HN 1.076 nan 8.310 nan 0.000 0.510 119 G N -0.035 108.977 108.800 0.352 0.000 2.494 119 G HA2 0.501 4.461 3.960 -0.000 0.000 0.308 119 G HA3 0.501 4.461 3.960 -0.000 0.000 0.308 119 G C -2.251 172.826 174.900 0.294 0.000 1.263 119 G CA -0.428 44.824 45.100 0.254 0.000 0.840 119 G HN 0.736 nan 8.290 nan 0.000 0.479 120 H N -0.118 119.015 119.070 0.104 0.000 3.042 120 H HA 0.476 5.032 4.556 -0.000 0.000 0.345 120 H C -2.348 172.991 175.328 0.018 0.000 1.052 120 H CA -1.734 54.349 56.048 0.059 0.000 1.311 120 H CB 2.562 32.355 29.762 0.051 0.000 1.810 120 H HN 0.116 nan 8.280 nan 0.000 0.505 121 P HA -0.053 nan 4.420 nan 0.000 0.217 121 P C 0.189 177.549 177.300 0.100 0.000 1.148 121 P CA 1.339 64.581 63.100 0.237 0.000 0.828 121 P CB 0.328 32.124 31.700 0.161 0.000 0.783 122 L N -2.191 118.986 121.223 -0.076 0.000 2.783 122 L HA 0.317 4.657 4.340 -0.000 0.000 0.265 122 L C -0.219 176.153 176.870 -0.831 0.000 1.398 122 L CA -0.936 53.671 54.840 -0.388 0.000 0.802 122 L CB 0.285 42.243 42.059 -0.169 0.000 1.126 122 L HN -0.126 nan 8.230 nan 0.000 0.529 123 L N 1.514 122.361 121.223 -0.627 0.000 2.426 123 L HA 0.151 4.491 4.340 -0.000 0.000 0.271 123 L C 1.225 177.933 176.870 -0.271 0.000 1.169 123 L CA 0.424 54.995 54.840 -0.447 0.000 0.836 123 L CB 0.497 42.470 42.059 -0.144 0.000 1.112 123 L HN 0.273 nan 8.230 nan 0.000 0.465 124 N N 3.426 121.980 118.700 -0.243 0.000 3.058 124 N HA -0.086 4.654 4.740 -0.000 0.000 0.317 124 N C -0.345 175.123 175.510 -0.071 0.000 1.266 124 N CA 0.336 53.282 53.050 -0.174 0.000 1.145 124 N CB -0.470 37.894 38.487 -0.206 0.000 1.426 124 N HN 0.344 nan 8.380 nan 0.000 0.561 125 K N 1.200 121.576 120.400 -0.040 0.000 2.205 125 K HA 0.060 4.380 4.320 -0.000 0.000 0.279 125 K C 0.403 176.991 176.600 -0.021 0.000 1.027 125 K CA -0.435 55.865 56.287 0.021 0.000 0.932 125 K CB 1.146 33.505 32.500 -0.237 0.000 1.032 125 K HN 0.195 nan 8.250 nan 0.000 0.466 126 L N 3.002 124.255 121.223 0.048 0.000 2.471 126 L HA 0.253 4.593 4.340 -0.000 0.000 0.186 126 L C -0.572 176.284 176.870 -0.023 0.000 1.191 126 L CA 1.484 56.342 54.840 0.030 0.000 0.835 126 L CB -0.305 41.816 42.059 0.104 0.000 1.092 126 L HN 0.869 nan 8.230 nan 0.000 0.495 127 D N -2.051 118.358 120.400 0.017 0.000 2.648 127 D HA 0.153 4.793 4.640 -0.000 0.000 0.244 127 D C -1.352 175.051 176.300 0.172 0.000 1.244 127 D CA -0.589 53.420 54.000 0.014 0.000 0.772 127 D CB 0.122 40.921 40.800 -0.001 0.000 1.379 127 D HN 0.026 nan 8.370 nan 0.000 0.428 128 D N 0.270 120.783 120.400 0.187 0.000 2.363 128 D HA 0.061 4.700 4.640 -0.000 0.000 0.263 128 D C 0.631 176.941 176.300 0.017 0.000 1.258 128 D CA 0.328 54.470 54.000 0.236 0.000 0.907 128 D CB 0.782 41.662 40.800 0.134 0.000 1.107 128 D HN 0.439 nan 8.370 nan 0.000 0.495 129 T N 0.645 115.155 114.554 -0.072 0.000 3.081 129 T HA -0.044 4.306 4.350 -0.000 0.000 0.250 129 T C 1.472 176.029 174.700 -0.239 0.000 1.100 129 T CA -0.004 61.973 62.100 -0.205 0.000 1.038 129 T CB 0.288 68.951 68.868 -0.342 0.000 0.962 129 T HN 0.545 nan 8.240 nan 0.000 0.516 130 E N 2.218 122.294 120.200 -0.207 0.000 2.077 130 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 130 E C 0.470 176.998 176.600 -0.120 0.000 0.989 130 E CA 0.892 57.189 56.400 -0.172 0.000 0.800 130 E CB 0.148 29.766 29.700 -0.136 0.000 0.746 130 E HN 0.471 nan 8.360 nan 0.000 0.452 131 N N -0.857 117.786 118.700 -0.095 0.000 2.666 131 N HA 0.297 5.037 4.740 -0.000 0.000 0.260 131 N C -2.087 173.387 175.510 -0.060 0.000 1.077 131 N CA 0.062 53.070 53.050 -0.070 0.000 1.026 131 N CB 1.650 40.110 38.487 -0.046 0.000 1.653 131 N HN 0.177 nan 8.380 nan 0.000 0.533 132 A N 1.619 124.401 122.820 -0.064 0.000 2.401 132 A HA 0.645 4.965 4.320 -0.000 0.000 0.310 132 A C 0.781 178.345 177.584 -0.033 0.000 1.075 132 A CA -0.065 51.938 52.037 -0.057 0.000 0.746 132 A CB 1.016 19.959 19.000 -0.095 0.000 1.277 132 A HN 0.755 nan 8.150 nan 0.000 0.425 133 S N 0.922 116.612 115.700 -0.018 0.000 2.371 133 S HA 0.456 4.926 4.470 -0.000 0.000 0.221 133 S C 0.918 175.525 174.600 0.013 0.000 1.036 133 S CA 0.845 59.044 58.200 -0.002 0.000 0.965 133 S CB -0.202 62.999 63.200 0.002 0.000 0.845 133 S HN 1.834 nan 8.310 nan 0.000 0.475 134 A N -0.257 122.574 122.820 0.018 0.000 2.532 134 A HA 0.681 5.001 4.320 -0.000 0.000 0.290 134 A C -1.173 176.450 177.584 0.065 0.000 1.143 134 A CA -0.873 51.197 52.037 0.056 0.000 0.728 134 A CB 0.187 19.222 19.000 0.060 0.000 1.317 134 A HN 0.239 nan 8.150 nan 0.000 0.414 135 Y N 0.901 121.205 120.300 0.006 0.000 2.683 135 Y HA 0.287 4.837 4.550 -0.000 0.000 0.340 135 Y C 1.156 177.061 175.900 0.010 0.000 1.245 135 Y CA 1.372 59.477 58.100 0.009 0.000 1.485 135 Y CB 0.504 38.971 38.460 0.011 0.000 1.328 135 Y HN 0.940 nan 8.280 nan 0.000 0.603 136 A N 3.929 126.678 122.820 -0.117 0.000 2.429 136 A HA 0.501 4.821 4.320 -0.000 0.000 0.242 136 A C 0.440 178.099 177.584 0.124 0.000 1.088 136 A CA -0.095 51.933 52.037 -0.016 0.000 0.784 136 A CB -0.438 18.502 19.000 -0.100 0.000 1.038 136 A HN 1.048 nan 8.150 nan 0.000 0.501 137 A N 0.985 123.846 122.820 0.068 0.000 2.311 137 A HA 0.383 4.702 4.320 -0.000 0.000 0.269 137 A C 0.502 178.134 177.584 0.080 0.000 1.514 137 A CA 0.373 52.451 52.037 0.069 0.000 0.827 137 A CB -0.251 18.771 19.000 0.036 0.000 1.358 137 A HN 0.927 nan 8.150 nan 0.000 0.549 138 N N -2.253 116.479 118.700 0.054 0.000 2.370 138 N HA 0.529 5.269 4.740 -0.000 0.000 0.303 138 N C -0.644 174.886 175.510 0.034 0.000 1.103 138 N CA -0.073 53.007 53.050 0.050 0.000 0.848 138 N CB 1.607 40.117 38.487 0.039 0.000 1.235 138 N HN 0.786 nan 8.380 nan 0.000 0.496 139 A N 1.265 124.105 122.820 0.033 0.000 2.473 139 A HA 0.356 4.676 4.320 -0.000 0.000 0.282 139 A C 1.018 178.609 177.584 0.012 0.000 1.163 139 A CA -0.005 52.044 52.037 0.021 0.000 0.827 139 A CB -0.701 18.313 19.000 0.023 0.000 1.098 139 A HN 0.800 nan 8.150 nan 0.000 0.515 140 G N 1.378 110.181 108.800 0.006 0.000 3.056 140 G HA2 0.438 4.398 3.960 -0.000 0.000 0.175 140 G HA3 0.438 4.398 3.960 -0.000 0.000 0.175 140 G C 0.005 174.904 174.900 -0.002 0.000 1.894 140 G CA 0.758 45.859 45.100 0.002 0.000 0.910 140 G HN 1.221 nan 8.290 nan 0.000 0.462 141 V N -1.103 118.807 119.914 -0.007 0.000 2.969 141 V HA 0.455 4.575 4.120 -0.000 0.000 0.304 141 V C -0.921 175.163 176.094 -0.017 0.000 1.192 141 V CA -0.752 61.541 62.300 -0.011 0.000 0.962 141 V CB 1.845 33.663 31.823 -0.010 0.000 1.045 141 V HN 0.663 nan 8.190 nan 0.000 0.428 142 D N 2.178 122.564 120.400 -0.023 0.000 2.828 142 D HA -0.167 4.473 4.640 -0.000 0.000 0.241 142 D C 0.623 176.901 176.300 -0.036 0.000 1.142 142 D CA 1.058 55.039 54.000 -0.031 0.000 0.755 142 D CB -0.408 40.377 40.800 -0.026 0.000 1.014 142 D HN 0.934 nan 8.370 nan 0.000 0.420 143 N N -0.153 118.523 118.700 -0.040 0.000 2.280 143 N HA -0.006 4.734 4.740 -0.000 0.000 0.192 143 N C 0.522 175.992 175.510 -0.066 0.000 1.109 143 N CA -0.254 52.770 53.050 -0.043 0.000 0.855 143 N CB 0.385 38.853 38.487 -0.031 0.000 0.974 143 N HN 0.398 nan 8.380 nan 0.000 0.482 144 R N 1.334 121.785 120.500 -0.081 0.000 2.873 144 R HA 0.077 4.417 4.340 -0.000 0.000 0.267 144 R C -0.029 176.200 176.300 -0.118 0.000 1.009 144 R CA 0.512 56.540 56.100 -0.121 0.000 1.152 144 R CB 0.184 30.386 30.300 -0.162 0.000 1.047 144 R HN 0.184 nan 8.270 nan 0.000 0.470 145 E N -0.404 119.711 120.200 -0.142 0.000 2.459 145 E HA 0.224 4.574 4.350 -0.000 0.000 0.275 145 E C -1.226 175.318 176.600 -0.094 0.000 0.987 145 E CA -0.931 55.402 56.400 -0.111 0.000 0.828 145 E CB 1.636 31.262 29.700 -0.124 0.000 1.428 145 E HN 0.512 nan 8.360 nan 0.000 0.457 146 C N 1.691 120.962 119.300 -0.049 0.000 2.239 146 C HA 0.618 5.077 4.460 -0.000 0.000 0.325 146 C C -0.585 174.406 174.990 0.000 0.000 1.231 146 C CA -0.131 58.887 59.018 -0.001 0.000 1.652 146 C CB -2.180 25.567 27.740 0.012 0.000 2.284 146 C HN 0.423 nan 8.230 nan 0.000 0.499 147 I N 4.569 125.158 120.570 0.033 0.000 3.239 147 I HA 0.785 4.955 4.170 -0.000 0.000 0.314 147 I C 0.204 176.381 176.117 0.099 0.000 1.126 147 I CA -0.165 61.165 61.300 0.050 0.000 0.973 147 I CB 2.060 40.085 38.000 0.041 0.000 1.252 147 I HN 0.614 nan 8.210 nan 0.000 0.463 148 S N 1.433 117.193 115.700 0.101 0.000 2.752 148 S HA 0.972 5.442 4.470 -0.000 0.000 0.284 148 S C -0.845 173.791 174.600 0.059 0.000 1.189 148 S CA -0.854 57.398 58.200 0.087 0.000 0.835 148 S CB 2.282 65.523 63.200 0.069 0.000 1.192 148 S HN 0.933 nan 8.310 nan 0.000 0.506 149 M N -0.520 119.055 119.600 -0.041 0.000 3.490 149 M HA 0.428 4.908 4.480 -0.000 0.000 0.306 149 M C -2.633 173.528 176.300 -0.232 0.000 1.248 149 M CA -0.681 54.562 55.300 -0.096 0.000 0.875 149 M CB 1.079 33.642 32.600 -0.061 0.000 1.761 149 M HN 0.704 nan 8.290 nan 0.000 0.529 150 D N 1.522 121.807 120.400 -0.192 0.000 2.461 150 D HA 0.446 5.086 4.640 -0.000 0.000 0.240 150 D C -0.907 175.324 176.300 -0.114 0.000 1.094 150 D CA -0.131 53.771 54.000 -0.164 0.000 0.868 150 D CB 0.229 40.997 40.800 -0.054 0.000 1.062 150 D HN 0.474 nan 8.370 nan 0.000 0.530 151 Y N 1.213 121.500 120.300 -0.022 0.000 2.452 151 Y HA -0.065 4.485 4.550 -0.000 0.000 0.355 151 Y C 1.722 177.603 175.900 -0.031 0.000 1.266 151 Y CA -0.192 57.881 58.100 -0.045 0.000 1.514 151 Y CB 0.395 38.840 38.460 -0.024 0.000 1.363 151 Y HN 0.343 nan 8.280 nan 0.000 0.677 152 K N 1.985 122.480 120.400 0.159 0.000 2.451 152 K HA -0.043 4.277 4.320 -0.000 0.000 0.280 152 K C -0.244 176.421 176.600 0.108 0.000 1.020 152 K CA -0.373 55.974 56.287 0.099 0.000 1.008 152 K CB 0.340 32.879 32.500 0.064 0.000 0.917 152 K HN 0.686 nan 8.250 nan 0.000 0.478 153 Q N 2.926 122.786 119.800 0.101 0.000 2.286 153 Q HA 0.055 4.395 4.340 -0.000 0.000 0.267 153 Q C -1.060 174.994 176.000 0.090 0.000 1.028 153 Q CA 0.431 56.290 55.803 0.094 0.000 0.901 153 Q CB 0.730 29.518 28.738 0.084 0.000 1.183 153 Q HN 0.725 nan 8.270 nan 0.000 0.392 154 T N 4.253 118.865 114.554 0.096 0.000 2.921 154 T HA 0.354 4.704 4.350 -0.000 0.000 0.297 154 T C -0.952 173.828 174.700 0.133 0.000 1.013 154 T CA -0.656 61.506 62.100 0.104 0.000 0.990 154 T CB 1.704 70.631 68.868 0.097 0.000 1.023 154 T HN 0.533 nan 8.240 nan 0.000 0.447 155 Q N 1.922 121.806 119.800 0.140 0.000 2.365 155 Q HA 0.814 5.154 4.340 -0.000 0.000 0.269 155 Q C -1.382 174.721 176.000 0.171 0.000 1.061 155 Q CA -1.044 54.888 55.803 0.215 0.000 0.816 155 Q CB 2.078 30.858 28.738 0.070 0.000 1.325 155 Q HN 0.652 nan 8.270 nan 0.000 0.446 156 L N -0.105 121.295 121.223 0.294 0.000 2.921 156 L HA 0.833 5.173 4.340 -0.000 0.000 0.261 156 L C -1.889 175.153 176.870 0.286 0.000 0.984 156 L CA -0.861 54.098 54.840 0.199 0.000 0.951 156 L CB 1.302 43.477 42.059 0.194 0.000 1.495 156 L HN 0.778 nan 8.230 nan 0.000 0.414 157 C N 1.995 121.393 119.300 0.163 0.000 3.302 157 C HA 0.919 5.379 4.460 -0.000 0.000 0.347 157 C C -1.936 173.089 174.990 0.060 0.000 1.218 157 C CA -0.291 58.829 59.018 0.169 0.000 1.234 157 C CB 0.711 28.579 27.740 0.214 0.000 1.551 157 C HN 1.461 nan 8.230 nan 0.000 0.501 158 L N 3.555 124.849 121.223 0.119 0.000 2.622 158 L HA 0.947 5.287 4.340 -0.000 0.000 0.258 158 L C -0.956 176.031 176.870 0.194 0.000 0.996 158 L CA -0.764 54.140 54.840 0.107 0.000 0.858 158 L CB 1.741 43.837 42.059 0.062 0.000 1.449 158 L HN 0.753 nan 8.230 nan 0.000 0.411 159 I N -0.939 119.787 120.570 0.260 0.000 2.894 159 I HA 1.026 5.196 4.170 -0.000 0.000 0.302 159 I C -0.093 176.024 176.117 -0.001 0.000 1.188 159 I CA -0.541 60.958 61.300 0.332 0.000 1.014 159 I CB 1.438 39.799 38.000 0.603 0.000 1.242 159 I HN 0.913 nan 8.210 nan 0.000 0.430 160 G N 1.353 110.060 108.800 -0.155 0.000 2.523 160 G HA2 0.400 4.360 3.960 -0.000 0.000 0.291 160 G HA3 0.400 4.360 3.960 -0.000 0.000 0.291 160 G C -0.008 174.863 174.900 -0.049 0.000 1.450 160 G CA -0.089 44.518 45.100 -0.821 0.000 0.790 160 G HN 0.955 nan 8.290 nan 0.000 0.496 161 C N -1.262 118.038 119.300 0.001 0.000 2.618 161 C HA 0.507 4.967 4.460 -0.000 0.000 0.264 161 C C 0.588 175.841 174.990 0.439 0.000 1.334 161 C CA -0.494 58.695 59.018 0.286 0.000 1.731 161 C CB -0.962 26.980 27.740 0.337 0.000 1.852 161 C HN 0.330 nan 8.230 nan 0.000 0.566 162 K N 1.699 122.228 120.400 0.216 0.000 2.281 162 K HA 0.594 4.914 4.320 -0.000 0.000 0.242 162 K C -2.891 173.251 176.600 -0.763 0.000 0.971 162 K CA -2.095 54.132 56.287 -0.101 0.000 0.834 162 K CB 1.660 34.077 32.500 -0.138 0.000 1.181 162 K HN -0.001 nan 8.250 nan 0.000 0.435 163 P HA 0.238 nan 4.420 nan 0.000 0.277 163 P C -2.543 174.341 177.300 -0.693 0.000 1.240 163 P CA -1.456 60.738 63.100 -1.510 0.000 0.798 163 P CB -0.073 30.801 31.700 -1.376 0.000 0.979 164 P HA 0.223 nan 4.420 nan 0.000 0.272 164 P C -0.679 176.402 177.300 -0.364 0.000 1.223 164 P CA 0.161 63.036 63.100 -0.375 0.000 0.784 164 P CB 0.351 31.867 31.700 -0.306 0.000 0.923 165 I N 1.503 121.874 120.570 -0.332 0.000 2.410 165 I HA 0.434 4.604 4.170 -0.000 0.000 0.286 165 I C 0.916 176.862 176.117 -0.285 0.000 1.009 165 I CA -0.216 60.913 61.300 -0.285 0.000 1.111 165 I CB 1.357 39.220 38.000 -0.229 0.000 1.262 165 I HN 0.325 nan 8.210 nan 0.000 0.443 166 G N 4.381 113.019 108.800 -0.269 0.000 2.451 166 G HA2 0.698 4.658 3.960 -0.000 0.000 0.303 166 G HA3 0.698 4.658 3.960 -0.000 0.000 0.303 166 G C -0.703 174.130 174.900 -0.113 0.000 1.166 166 G CA -0.432 44.527 45.100 -0.235 0.000 0.884 166 G HN 0.658 nan 8.290 nan 0.000 0.514 167 E N -0.419 119.750 120.200 -0.052 0.000 2.299 167 E HA 0.717 5.067 4.350 -0.000 0.000 0.265 167 E C -0.685 175.944 176.600 0.049 0.000 0.911 167 E CA -0.983 55.402 56.400 -0.026 0.000 0.789 167 E CB 2.359 32.003 29.700 -0.094 0.000 1.246 167 E HN 0.762 nan 8.360 nan 0.000 0.427 168 H N -0.608 118.267 119.070 -0.324 0.000 2.849 168 H HA 0.258 4.813 4.556 -0.000 0.000 0.271 168 H C -1.822 173.201 175.328 -0.509 0.000 1.461 168 H CA -1.314 54.513 56.048 -0.367 0.000 1.146 168 H CB -0.039 29.649 29.762 -0.124 0.000 1.834 168 H HN 0.693 nan 8.280 nan 0.000 0.555 169 W N -0.083 121.052 121.300 -0.274 0.000 2.512 169 W HA 0.650 5.310 4.660 -0.000 0.000 0.335 169 W C 0.338 176.634 176.519 -0.371 0.000 1.088 169 W CA -0.328 56.827 57.345 -0.316 0.000 1.236 169 W CB 2.265 31.625 29.460 -0.167 0.000 1.307 169 W HN 0.931 nan 8.180 nan 0.000 0.567 170 G N 1.097 109.935 108.800 0.063 0.000 2.623 170 G HA2 0.265 4.225 3.960 -0.000 0.000 0.290 170 G HA3 0.265 4.225 3.960 -0.000 0.000 0.290 170 G C -1.927 172.989 174.900 0.026 0.000 1.437 170 G CA -1.152 43.948 45.100 0.000 0.000 0.798 170 G HN 0.297 nan 8.290 nan 0.000 0.488 171 K N 0.800 121.208 120.400 0.014 0.000 2.294 171 K HA 0.364 4.684 4.320 -0.000 0.000 0.288 171 K C 0.718 177.324 176.600 0.010 0.000 1.072 171 K CA -0.040 56.251 56.287 0.006 0.000 0.960 171 K CB -0.272 32.230 32.500 0.004 0.000 1.043 171 K HN 0.600 nan 8.250 nan 0.000 0.455 172 G N 2.172 110.979 108.800 0.012 0.000 2.467 172 G HA2 0.023 3.983 3.960 -0.000 0.000 0.257 172 G HA3 0.023 3.983 3.960 -0.000 0.000 0.257 172 G C -0.195 174.709 174.900 0.007 0.000 1.227 172 G CA -0.580 44.529 45.100 0.015 0.000 0.835 172 G HN 0.699 nan 8.290 nan 0.000 0.556 173 S N 2.742 118.446 115.700 0.007 0.000 2.552 173 S HA 0.299 4.769 4.470 -0.000 0.000 0.289 173 S C -1.143 173.458 174.600 0.002 0.000 1.304 173 S CA -0.651 57.551 58.200 0.004 0.000 1.063 173 S CB 0.907 64.109 63.200 0.004 0.000 0.848 173 S HN 0.559 nan 8.310 nan 0.000 0.499 174 P HA 0.506 nan 4.420 nan 0.000 0.338 174 P C -0.619 176.679 177.300 -0.002 0.000 1.308 174 P CA -0.821 62.277 63.100 -0.003 0.000 0.753 174 P CB 0.246 31.942 31.700 -0.006 0.000 1.579 175 C N -1.016 118.282 119.300 -0.003 0.000 2.470 175 C HA 0.443 4.903 4.460 -0.000 0.000 0.341 175 C C 0.339 175.327 174.990 -0.003 0.000 1.190 175 C CA -0.130 58.886 59.018 -0.002 0.000 1.904 175 C CB 0.954 28.692 27.740 -0.003 0.000 2.354 175 C HN 0.532 nan 8.230 nan 0.000 0.509 176 T N 3.251 117.803 114.554 -0.002 0.000 3.474 176 T HA 0.275 4.625 4.350 -0.000 0.000 0.270 176 T C -0.076 174.622 174.700 -0.003 0.000 1.079 176 T CA 0.248 62.346 62.100 -0.003 0.000 1.110 176 T CB -0.313 68.554 68.868 -0.002 0.000 1.087 176 T HN 0.721 nan 8.240 nan 0.000 0.784 177 Q N 0.355 120.153 119.800 -0.004 0.000 2.922 177 Q HA 0.427 4.767 4.340 -0.000 0.000 0.347 177 Q C -0.263 175.735 176.000 -0.005 0.000 0.889 177 Q CA -0.955 54.846 55.803 -0.004 0.000 0.771 177 Q CB 0.551 29.287 28.738 -0.005 0.000 2.894 177 Q HN 0.270 nan 8.270 nan 0.000 0.301 178 V N 2.662 122.573 119.914 -0.005 0.000 2.484 178 V HA 0.023 4.143 4.120 -0.000 0.000 0.276 178 V C -0.096 175.994 176.094 -0.006 0.000 0.976 178 V CA 0.437 62.733 62.300 -0.006 0.000 1.141 178 V CB -0.640 31.179 31.823 -0.007 0.000 0.975 178 V HN 0.609 nan 8.190 nan 0.000 0.466 179 A N 6.706 129.523 122.820 -0.006 0.000 2.729 179 A HA 0.307 4.627 4.320 -0.000 0.000 0.291 179 A C 0.613 178.193 177.584 -0.007 0.000 1.574 179 A CA -0.344 51.690 52.037 -0.006 0.000 1.194 179 A CB -0.865 18.132 19.000 -0.005 0.000 1.047 179 A HN 1.064 nan 8.150 nan 0.000 0.578 180 V N 2.507 122.416 119.914 -0.008 0.000 3.121 180 V HA -0.197 3.923 4.120 -0.000 0.000 0.277 180 V C 0.496 176.585 176.094 -0.008 0.000 1.474 180 V CA 0.564 62.858 62.300 -0.009 0.000 1.468 180 V CB -0.878 30.938 31.823 -0.010 0.000 0.819 180 V HN 0.829 nan 8.190 nan 0.000 0.450 181 Q N 5.740 125.534 119.800 -0.009 0.000 2.295 181 Q HA 0.316 4.656 4.340 -0.000 0.000 0.259 181 Q C -2.093 173.902 176.000 -0.009 0.000 0.976 181 Q CA -2.265 53.533 55.803 -0.008 0.000 0.923 181 Q CB 0.448 29.181 28.738 -0.008 0.000 1.185 181 Q HN 0.550 nan 8.270 nan 0.000 0.410 182 P HA -0.149 nan 4.420 nan 0.000 0.264 182 P C 0.921 178.215 177.300 -0.010 0.000 1.156 182 P CA 1.667 64.762 63.100 -0.009 0.000 0.756 182 P CB 0.337 32.032 31.700 -0.007 0.000 0.764 183 G N 2.034 110.827 108.800 -0.012 0.000 2.336 183 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.233 183 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.233 183 G C 0.147 175.037 174.900 -0.017 0.000 1.053 183 G CA 0.114 45.206 45.100 -0.014 0.000 0.625 183 G HN 0.558 nan 8.290 nan 0.000 0.511 184 D N 0.735 121.126 120.400 -0.016 0.000 2.548 184 D HA 0.268 4.908 4.640 -0.000 0.000 0.231 184 D C 1.236 177.522 176.300 -0.023 0.000 1.142 184 D CA 0.394 54.383 54.000 -0.018 0.000 0.866 184 D CB 0.695 41.485 40.800 -0.016 0.000 1.190 184 D HN 0.608 nan 8.370 nan 0.000 0.469 185 C N 5.496 124.779 119.300 -0.029 0.000 2.642 185 C HA 0.261 4.721 4.460 -0.000 0.000 0.420 185 C C -1.761 173.207 174.990 -0.037 0.000 1.349 185 C CA -1.250 57.746 59.018 -0.037 0.000 1.821 185 C CB -0.490 27.223 27.740 -0.045 0.000 2.637 185 C HN 0.465 nan 8.230 nan 0.000 0.605 186 P HA 0.431 nan 4.420 nan 0.000 0.276 186 P C -2.715 174.555 177.300 -0.049 0.000 1.252 186 P CA -1.053 62.024 63.100 -0.037 0.000 0.802 186 P CB 0.229 31.909 31.700 -0.033 0.000 1.035 187 P HA 0.306 nan 4.420 nan 0.000 0.282 187 P C -0.714 176.557 177.300 -0.050 0.000 1.259 187 P CA -0.325 62.748 63.100 -0.045 0.000 0.826 187 P CB 0.727 32.412 31.700 -0.026 0.000 1.064 188 L N 0.878 122.060 121.223 -0.069 0.000 2.331 188 L HA 0.605 4.945 4.340 -0.000 0.000 0.268 188 L C 0.409 177.308 176.870 0.048 0.000 1.015 188 L CA -0.329 54.473 54.840 -0.064 0.000 0.807 188 L CB 0.613 42.515 42.059 -0.261 0.000 1.293 188 L HN 0.616 nan 8.230 nan 0.000 0.451 189 E N 0.842 121.166 120.200 0.208 0.000 2.481 189 E HA 0.198 4.548 4.350 -0.000 0.000 0.301 189 E C -1.877 174.911 176.600 0.312 0.000 0.948 189 E CA -0.664 55.883 56.400 0.243 0.000 0.804 189 E CB 2.276 32.029 29.700 0.088 0.000 1.265 189 E HN 0.332 nan 8.360 nan 0.000 0.406 190 L N 4.992 126.336 121.223 0.202 0.000 2.367 190 L HA 0.402 4.742 4.340 -0.000 0.000 0.275 190 L C -1.096 175.620 176.870 -0.257 0.000 1.129 190 L CA 0.202 54.820 54.840 -0.371 0.000 0.839 190 L CB 0.555 42.322 42.059 -0.487 0.000 1.133 190 L HN 0.385 nan 8.230 nan 0.000 0.453 191 I N 4.311 124.652 120.570 -0.381 0.000 2.498 191 I HA 0.462 4.632 4.170 -0.000 0.000 0.290 191 I C -0.176 175.919 176.117 -0.036 0.000 1.032 191 I CA -0.611 60.573 61.300 -0.192 0.000 1.073 191 I CB 1.441 39.330 38.000 -0.185 0.000 1.251 191 I HN 0.417 nan 8.210 nan 0.000 0.426 192 N N 2.775 121.464 118.700 -0.018 0.000 2.509 192 N HA 0.664 5.404 4.740 -0.000 0.000 0.287 192 N C -0.416 175.101 175.510 0.011 0.000 1.121 192 N CA -0.053 52.987 53.050 -0.018 0.000 0.977 192 N CB 1.912 40.367 38.487 -0.053 0.000 1.167 192 N HN 0.822 nan 8.380 nan 0.000 0.476 193 T N -1.575 112.957 114.554 -0.037 0.000 2.886 193 T HA 0.266 4.616 4.350 -0.000 0.000 0.330 193 T C -1.359 173.263 174.700 -0.130 0.000 1.488 193 T CA -0.706 61.367 62.100 -0.045 0.000 1.054 193 T CB 0.398 69.243 68.868 -0.039 0.000 1.348 193 T HN 0.021 nan 8.240 nan 0.000 0.489 194 V N 4.521 124.357 119.914 -0.132 0.000 2.415 194 V HA 0.303 4.423 4.120 -0.000 0.000 0.267 194 V C 0.724 176.688 176.094 -0.217 0.000 1.042 194 V CA -0.357 61.779 62.300 -0.273 0.000 1.000 194 V CB -0.275 31.202 31.823 -0.577 0.000 1.015 194 V HN 0.744 nan 8.190 nan 0.000 0.478 195 I N 5.035 125.436 120.570 -0.282 0.000 2.680 195 I HA 0.036 4.206 4.170 -0.000 0.000 0.286 195 I C 0.749 176.779 176.117 -0.146 0.000 1.144 195 I CA 0.886 61.995 61.300 -0.319 0.000 1.370 195 I CB -0.261 37.429 38.000 -0.516 0.000 1.420 195 I HN 0.690 nan 8.210 nan 0.000 0.540 196 Q N 4.156 123.926 119.800 -0.050 0.000 2.256 196 Q HA 0.161 4.501 4.340 -0.000 0.000 0.232 196 Q C -0.299 175.760 176.000 0.099 0.000 0.965 196 Q CA -0.762 55.097 55.803 0.094 0.000 0.908 196 Q CB 1.063 29.838 28.738 0.062 0.000 1.209 196 Q HN 0.582 nan 8.270 nan 0.000 0.489 197 D N -0.468 120.032 120.400 0.166 0.000 2.425 197 D HA 0.244 4.883 4.640 -0.000 0.000 0.247 197 D C 0.691 177.033 176.300 0.070 0.000 1.147 197 D CA 1.744 55.815 54.000 0.119 0.000 0.879 197 D CB 0.276 41.149 40.800 0.122 0.000 1.179 197 D HN 0.658 nan 8.370 nan 0.000 0.456 198 G N 2.942 111.799 108.800 0.093 0.000 2.241 198 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.244 198 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.244 198 G C 0.219 175.192 174.900 0.122 0.000 0.998 198 G CA 0.126 45.275 45.100 0.081 0.000 0.621 198 G HN 0.636 nan 8.290 nan 0.000 0.519 199 D N 0.970 121.460 120.400 0.150 0.000 2.346 199 D HA 0.434 5.074 4.640 -0.000 0.000 0.236 199 D C 1.102 177.587 176.300 0.308 0.000 1.259 199 D CA 0.336 54.437 54.000 0.169 0.000 0.898 199 D CB 0.207 41.047 40.800 0.065 0.000 1.178 199 D HN 0.078 nan 8.370 nan 0.000 0.457 200 M N 0.703 120.461 119.600 0.262 0.000 2.209 200 M HA 0.267 4.747 4.480 -0.000 0.000 0.355 200 M C -0.583 175.914 176.300 0.328 0.000 1.171 200 M CA -0.904 54.529 55.300 0.221 0.000 1.069 200 M CB 1.224 33.898 32.600 0.122 0.000 1.622 200 M HN 0.024 nan 8.290 nan 0.000 0.459 201 V N 1.539 121.488 119.914 0.059 0.000 2.743 201 V HA 0.193 4.313 4.120 -0.000 0.000 0.301 201 V C 0.292 176.428 176.094 0.069 0.000 1.057 201 V CA -1.090 61.192 62.300 -0.030 0.000 1.006 201 V CB 1.292 32.861 31.823 -0.425 0.000 1.024 201 V HN 0.800 nan 8.190 nan 0.000 0.473 202 D N 2.413 122.919 120.400 0.176 0.000 2.583 202 D HA -0.050 4.590 4.640 -0.000 0.000 0.232 202 D C 1.219 177.529 176.300 0.017 0.000 1.128 202 D CA 1.068 55.155 54.000 0.144 0.000 0.859 202 D CB 1.254 42.141 40.800 0.146 0.000 1.169 202 D HN 0.863 nan 8.370 nan 0.000 0.481 203 T N 0.450 114.972 114.554 -0.054 0.000 3.022 203 T HA 0.357 4.706 4.350 -0.000 0.000 0.250 203 T C 1.268 175.929 174.700 -0.065 0.000 1.060 203 T CA 0.334 62.289 62.100 -0.241 0.000 1.013 203 T CB 0.316 68.688 68.868 -0.827 0.000 0.982 203 T HN 0.733 nan 8.240 nan 0.000 0.508 204 G N 0.326 109.098 108.800 -0.046 0.000 2.148 204 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.120 204 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.120 204 G C 0.015 174.760 174.900 -0.257 0.000 1.034 204 G CA -0.223 44.794 45.100 -0.137 0.000 0.710 204 G HN 0.356 nan 8.290 nan 0.000 0.495 205 F N 0.880 120.941 119.950 0.185 0.000 2.798 205 F HA 0.530 5.057 4.527 -0.000 0.000 0.328 205 F C 1.365 177.334 175.800 0.282 0.000 1.098 205 F CA 0.498 58.652 58.000 0.256 0.000 1.172 205 F CB 1.094 40.281 39.000 0.311 0.000 1.072 205 F HN 1.015 nan 8.300 nan 0.000 0.555 206 G N 0.975 109.998 108.800 0.371 0.000 2.661 206 G HA2 0.283 4.243 3.960 -0.000 0.000 0.685 206 G HA3 0.283 4.243 3.960 -0.000 0.000 0.685 206 G C -0.903 174.179 174.900 0.304 0.000 1.298 206 G CA -0.643 44.630 45.100 0.288 0.000 0.855 206 G HN 0.630 nan 8.290 nan 0.000 0.560 207 A N 0.799 123.757 122.820 0.230 0.000 2.256 207 A HA 0.917 5.237 4.320 -0.000 0.000 0.317 207 A C 0.332 178.012 177.584 0.160 0.000 1.318 207 A CA 0.782 52.939 52.037 0.200 0.000 0.894 207 A CB 0.148 19.242 19.000 0.158 0.000 1.165 207 A HN 2.254 nan 8.150 nan 0.000 0.525 208 M N 0.894 120.492 119.600 -0.003 0.000 2.895 208 M HA 0.395 4.875 4.480 -0.000 0.000 0.271 208 M C -2.024 174.148 176.300 -0.213 0.000 1.174 208 M CA -0.674 54.586 55.300 -0.067 0.000 0.816 208 M CB 1.527 34.001 32.600 -0.209 0.000 1.647 208 M HN 0.359 nan 8.290 nan 0.000 0.506 209 D N 1.488 121.877 120.400 -0.019 0.000 2.619 209 D HA 0.293 4.933 4.640 -0.000 0.000 0.224 209 D C 0.518 176.809 176.300 -0.016 0.000 1.133 209 D CA -0.188 53.844 54.000 0.053 0.000 1.017 209 D CB -0.429 40.450 40.800 0.133 0.000 1.077 209 D HN 0.505 nan 8.370 nan 0.000 0.503 210 F N 0.509 120.519 119.950 0.100 0.000 2.106 210 F HA -0.344 4.183 4.527 -0.000 0.000 0.299 210 F C 2.574 178.396 175.800 0.036 0.000 1.082 210 F CA 1.675 59.707 58.000 0.053 0.000 1.244 210 F CB -1.202 37.822 39.000 0.040 0.000 0.997 210 F HN 0.248 nan 8.300 nan 0.000 0.486 211 T N -1.446 113.248 114.554 0.233 0.000 2.580 211 T HA -0.310 4.040 4.350 -0.000 0.000 0.265 211 T C 2.055 176.805 174.700 0.083 0.000 1.063 211 T CA 2.370 64.550 62.100 0.134 0.000 1.170 211 T CB -1.387 67.548 68.868 0.110 0.000 0.863 211 T HN 0.508 nan 8.240 nan 0.000 0.418 212 T N 0.760 115.355 114.554 0.068 0.000 2.821 212 T HA 0.024 4.373 4.350 -0.000 0.000 0.267 212 T C 1.882 176.595 174.700 0.022 0.000 1.046 212 T CA 0.579 62.702 62.100 0.040 0.000 1.139 212 T CB -0.456 68.435 68.868 0.038 0.000 0.871 212 T HN 0.101 nan 8.240 nan 0.000 0.454 213 L N 0.671 121.902 121.223 0.012 0.000 2.270 213 L HA 0.355 4.695 4.340 -0.000 0.000 0.210 213 L C 1.334 178.201 176.870 -0.005 0.000 1.104 213 L CA 1.168 55.999 54.840 -0.016 0.000 0.804 213 L CB -1.116 40.907 42.059 -0.060 0.000 0.937 213 L HN 0.456 nan 8.230 nan 0.000 0.450 214 Q N -1.074 118.745 119.800 0.032 0.000 2.571 214 Q HA 0.410 4.750 4.340 -0.000 0.000 0.243 214 Q C 1.006 177.024 176.000 0.032 0.000 1.055 214 Q CA -0.071 55.751 55.803 0.032 0.000 0.815 214 Q CB 1.430 30.210 28.738 0.070 0.000 1.151 214 Q HN 0.209 nan 8.270 nan 0.000 0.519 215 A N 2.571 125.398 122.820 0.012 0.000 1.978 215 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 215 A C 1.834 179.423 177.584 0.008 0.000 1.170 215 A CA 1.738 53.781 52.037 0.010 0.000 0.636 215 A CB -0.424 18.576 19.000 0.000 0.000 0.810 215 A HN 0.852 nan 8.150 nan 0.000 0.448 216 N N -0.111 118.587 118.700 -0.003 0.000 2.089 216 N HA -0.312 4.428 4.740 -0.000 0.000 0.198 216 N C 0.685 176.199 175.510 0.007 0.000 1.017 216 N CA 2.200 55.243 53.050 -0.012 0.000 0.880 216 N CB -0.244 38.221 38.487 -0.036 0.000 1.042 216 N HN 0.465 nan 8.380 nan 0.000 0.446 217 K N -1.145 119.271 120.400 0.027 0.000 3.192 217 K HA -0.130 4.190 4.320 -0.000 0.000 0.278 217 K C -0.996 175.673 176.600 0.114 0.000 1.164 217 K CA 0.824 57.144 56.287 0.055 0.000 0.816 217 K CB -1.550 30.974 32.500 0.040 0.000 1.256 217 K HN 0.430 nan 8.250 nan 0.000 0.497 218 S N -1.357 114.388 115.700 0.075 0.000 2.663 218 S HA 0.083 4.553 4.470 -0.000 0.000 0.215 218 S C 0.088 174.625 174.600 -0.105 0.000 0.758 218 S CA -0.816 57.412 58.200 0.047 0.000 0.967 218 S CB 0.326 63.453 63.200 -0.123 0.000 1.586 218 S HN 0.280 nan 8.310 nan 0.000 0.506 219 E N 1.258 121.408 120.200 -0.084 0.000 2.431 219 E HA 0.206 4.556 4.350 -0.000 0.000 0.200 219 E C 0.801 177.228 176.600 -0.288 0.000 0.995 219 E CA 0.673 56.933 56.400 -0.233 0.000 0.915 219 E CB 1.183 30.757 29.700 -0.211 0.000 0.930 219 E HN 0.625 nan 8.360 nan 0.000 0.496 220 V N -2.308 117.527 119.914 -0.132 0.000 3.147 220 V HA 0.515 4.635 4.120 -0.000 0.000 0.306 220 V C -3.002 173.162 176.094 0.116 0.000 1.209 220 V CA -3.060 59.171 62.300 -0.116 0.000 1.023 220 V CB 1.780 33.398 31.823 -0.342 0.000 1.059 220 V HN -0.278 nan 8.190 nan 0.000 0.435 221 P HA 0.070 nan 4.420 nan 0.000 0.266 221 P C 0.987 178.401 177.300 0.190 0.000 1.186 221 P CA 0.013 63.292 63.100 0.298 0.000 0.767 221 P CB 0.304 32.257 31.700 0.423 0.000 0.820 222 L N 2.934 124.243 121.223 0.143 0.000 1.971 222 L HA -0.227 4.113 4.340 -0.000 0.000 0.215 222 L C 2.017 179.002 176.870 0.193 0.000 1.072 222 L CA 2.357 57.238 54.840 0.068 0.000 0.758 222 L CB -2.307 39.776 42.059 0.040 0.000 0.889 222 L HN 0.491 nan 8.230 nan 0.000 0.433 223 D N 0.221 120.851 120.400 0.383 0.000 2.347 223 D HA -0.260 4.380 4.640 -0.000 0.000 0.208 223 D C 1.677 178.045 176.300 0.114 0.000 0.994 223 D CA 1.938 56.102 54.000 0.273 0.000 0.924 223 D CB -0.476 40.396 40.800 0.119 0.000 0.892 223 D HN 0.700 nan 8.370 nan 0.000 0.471 224 I N -4.464 116.132 120.570 0.044 0.000 4.592 224 I HA 0.202 4.372 4.170 -0.000 0.000 0.329 224 I C 1.811 177.829 176.117 -0.164 0.000 1.309 224 I CA -0.558 60.677 61.300 -0.108 0.000 1.243 224 I CB -0.318 37.513 38.000 -0.282 0.000 1.241 224 I HN -0.053 nan 8.210 nan 0.000 0.434 225 C N 2.755 122.008 119.300 -0.078 0.000 2.336 225 C HA -0.265 4.195 4.460 -0.000 0.000 0.272 225 C C 2.924 177.932 174.990 0.030 0.000 1.160 225 C CA 2.909 61.902 59.018 -0.042 0.000 1.783 225 C CB -1.036 26.692 27.740 -0.020 0.000 2.050 225 C HN 0.771 nan 8.230 nan 0.000 0.443 226 T N -1.320 113.259 114.554 0.042 0.000 3.188 226 T HA 0.237 4.587 4.350 -0.000 0.000 0.250 226 T C 0.417 175.179 174.700 0.105 0.000 1.077 226 T CA 0.586 62.729 62.100 0.071 0.000 0.967 226 T CB -0.112 68.778 68.868 0.037 0.000 1.006 226 T HN 0.570 nan 8.240 nan 0.000 0.552 227 S N 0.556 116.332 115.700 0.128 0.000 2.753 227 S HA 0.795 5.265 4.470 -0.000 0.000 0.302 227 S C -0.707 174.075 174.600 0.304 0.000 1.104 227 S CA -0.955 57.340 58.200 0.158 0.000 0.968 227 S CB 0.838 64.104 63.200 0.110 0.000 1.278 227 S HN 0.274 nan 8.310 nan 0.000 0.549 228 I N 0.403 121.122 120.570 0.247 0.000 2.447 228 I HA 0.307 4.477 4.170 -0.000 0.000 0.287 228 I C -0.930 175.344 176.117 0.262 0.000 1.023 228 I CA -0.212 61.251 61.300 0.272 0.000 1.083 228 I CB 1.492 39.521 38.000 0.049 0.000 1.245 228 I HN 0.576 nan 8.210 nan 0.000 0.434 229 C N 6.576 126.152 119.300 0.460 0.000 2.482 229 C HA 0.375 4.834 4.460 -0.000 0.000 0.378 229 C C 0.395 175.532 174.990 0.245 0.000 1.284 229 C CA -0.377 58.871 59.018 0.384 0.000 1.826 229 C CB -0.670 27.399 27.740 0.549 0.000 2.473 229 C HN 0.636 nan 8.230 nan 0.000 0.562 230 K N 2.881 123.427 120.400 0.242 0.000 2.221 230 K HA 0.502 4.822 4.320 -0.000 0.000 0.243 230 K C -1.417 175.394 176.600 0.351 0.000 0.968 230 K CA -0.546 55.831 56.287 0.150 0.000 0.846 230 K CB 2.243 34.677 32.500 -0.109 0.000 1.141 230 K HN 0.629 nan 8.250 nan 0.000 0.434 231 Y N 1.420 121.763 120.300 0.071 0.000 2.457 231 Y HA 0.289 4.838 4.550 -0.000 0.000 0.343 231 Y C -2.619 173.252 175.900 -0.049 0.000 0.994 231 Y CA -2.611 55.554 58.100 0.109 0.000 1.031 231 Y CB 1.816 40.340 38.460 0.107 0.000 1.246 231 Y HN 0.371 nan 8.280 nan 0.000 0.449 232 P HA -0.001 nan 4.420 nan 0.000 0.265 232 P C -0.416 176.443 177.300 -0.734 0.000 1.222 232 P CA 0.355 62.946 63.100 -0.848 0.000 0.767 232 P CB 0.430 31.271 31.700 -1.432 0.000 0.801 233 D N 3.546 123.703 120.400 -0.406 0.000 2.767 233 D HA -0.039 4.601 4.640 -0.000 0.000 0.231 233 D C 0.709 176.878 176.300 -0.219 0.000 1.105 233 D CA -0.141 53.740 54.000 -0.198 0.000 1.024 233 D CB -0.340 40.376 40.800 -0.140 0.000 1.123 233 D HN 0.246 nan 8.370 nan 0.000 0.470 234 Y N 1.165 121.332 120.300 -0.221 0.000 1.938 234 Y HA -0.409 4.141 4.550 -0.000 0.000 0.253 234 Y C 2.246 178.042 175.900 -0.174 0.000 1.163 234 Y CA 1.681 59.630 58.100 -0.252 0.000 1.086 234 Y CB -0.780 37.538 38.460 -0.237 0.000 0.928 234 Y HN 0.258 nan 8.280 nan 0.000 0.493 235 I N 0.027 120.652 120.570 0.092 0.000 2.720 235 I HA -0.480 3.690 4.170 -0.000 0.000 0.208 235 I C 2.305 178.415 176.117 -0.011 0.000 0.908 235 I CA 2.079 63.401 61.300 0.036 0.000 1.222 235 I CB -1.386 36.640 38.000 0.044 0.000 0.933 235 I HN 0.132 nan 8.210 nan 0.000 0.360 236 K N -0.127 120.255 120.400 -0.029 0.000 2.052 236 K HA -0.264 4.056 4.320 -0.000 0.000 0.215 236 K C 2.176 178.738 176.600 -0.064 0.000 1.053 236 K CA 2.525 58.785 56.287 -0.046 0.000 0.934 236 K CB -0.281 32.180 32.500 -0.065 0.000 0.717 236 K HN 0.378 nan 8.250 nan 0.000 0.450 237 M N 0.398 119.934 119.600 -0.107 0.000 2.089 237 M HA -0.203 4.276 4.480 -0.000 0.000 0.257 237 M C 2.295 178.547 176.300 -0.081 0.000 1.071 237 M CA 1.685 56.906 55.300 -0.132 0.000 1.096 237 M CB -0.863 31.605 32.600 -0.221 0.000 1.330 237 M HN 0.046 nan 8.290 nan 0.000 0.403 238 V N -0.888 118.988 119.914 -0.063 0.000 2.407 238 V HA -0.131 3.989 4.120 -0.000 0.000 0.245 238 V C 2.346 178.444 176.094 0.007 0.000 1.041 238 V CA 1.737 64.023 62.300 -0.022 0.000 1.040 238 V CB -1.456 30.358 31.823 -0.016 0.000 0.671 238 V HN 0.403 nan 8.190 nan 0.000 0.455 239 S N -0.274 115.427 115.700 0.001 0.000 2.420 239 S HA -0.219 4.251 4.470 -0.000 0.000 0.237 239 S C 0.926 175.538 174.600 0.020 0.000 1.023 239 S CA 0.940 59.146 58.200 0.011 0.000 0.991 239 S CB -0.565 62.636 63.200 0.003 0.000 0.792 239 S HN 0.758 nan 8.310 nan 0.000 0.488 240 E N 2.717 122.926 120.200 0.016 0.000 2.608 240 E HA -0.051 4.299 4.350 -0.000 0.000 0.259 240 E C -1.180 175.464 176.600 0.073 0.000 0.951 240 E CA -0.917 55.506 56.400 0.038 0.000 0.945 240 E CB 0.687 30.410 29.700 0.039 0.000 0.916 240 E HN 0.159 nan 8.360 nan 0.000 0.477 241 P HA -0.171 nan 4.420 nan 0.000 0.211 241 P C 0.718 178.103 177.300 0.142 0.000 1.191 241 P CA 1.359 64.477 63.100 0.030 0.000 0.909 241 P CB -0.134 31.465 31.700 -0.168 0.000 0.770 242 Y N 0.544 120.938 120.300 0.156 0.000 2.256 242 Y HA 0.078 4.628 4.550 -0.000 0.000 0.288 242 Y C 1.959 178.010 175.900 0.252 0.000 1.155 242 Y CA 1.462 59.684 58.100 0.203 0.000 1.203 242 Y CB -1.440 37.087 38.460 0.110 0.000 0.980 242 Y HN 0.158 nan 8.280 nan 0.000 0.530 243 G N 0.433 109.416 108.800 0.306 0.000 2.295 243 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.287 243 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.287 243 G C 0.440 175.449 174.900 0.182 0.000 1.055 243 G CA 0.596 45.818 45.100 0.204 0.000 0.922 243 G HN 0.363 nan 8.290 nan 0.000 0.503 244 D N -0.039 120.459 120.400 0.165 0.000 2.213 244 D HA -0.002 4.638 4.640 -0.000 0.000 0.205 244 D C 2.497 178.741 176.300 -0.094 0.000 0.961 244 D CA 1.311 55.378 54.000 0.111 0.000 0.853 244 D CB -0.165 40.731 40.800 0.159 0.000 0.967 244 D HN 0.510 nan 8.370 nan 0.000 0.496 245 S N 0.093 115.732 115.700 -0.101 0.000 2.380 245 S HA -0.197 4.273 4.470 -0.000 0.000 0.229 245 S C 0.724 175.148 174.600 -0.293 0.000 1.050 245 S CA 1.320 59.402 58.200 -0.197 0.000 1.100 245 S CB -0.271 62.826 63.200 -0.173 0.000 0.984 245 S HN 0.357 nan 8.310 nan 0.000 0.434 246 L N -2.837 118.209 121.223 -0.295 0.000 2.592 246 L HA 0.642 4.982 4.340 -0.000 0.000 0.258 246 L C -0.168 176.593 176.870 -0.181 0.000 0.926 246 L CA -1.015 53.603 54.840 -0.370 0.000 0.885 246 L CB 1.258 43.196 42.059 -0.202 0.000 1.380 246 L HN 0.079 nan 8.230 nan 0.000 0.415 247 F N 1.163 121.223 119.950 0.183 0.000 2.727 247 F HA 0.574 5.101 4.527 -0.000 0.000 0.302 247 F C -0.046 175.954 175.800 0.333 0.000 1.107 247 F CA -0.876 57.256 58.000 0.220 0.000 1.277 247 F CB -0.257 38.864 39.000 0.201 0.000 1.079 247 F HN 0.382 nan 8.300 nan 0.000 0.594 248 F N 1.639 121.942 119.950 0.588 0.000 2.601 248 F HA 0.640 5.167 4.527 -0.000 0.000 0.309 248 F C -1.218 174.819 175.800 0.396 0.000 1.089 248 F CA -1.992 56.252 58.000 0.406 0.000 0.940 248 F CB 1.788 40.959 39.000 0.284 0.000 1.273 248 F HN 0.072 nan 8.300 nan 0.000 0.450 249 Y N 3.303 122.922 120.300 -1.136 0.000 2.814 249 Y HA 0.709 5.259 4.550 -0.000 0.000 0.348 249 Y C -2.652 172.740 175.900 -0.847 0.000 1.245 249 Y CA -2.349 55.230 58.100 -0.868 0.000 1.086 249 Y CB 0.700 39.003 38.460 -0.262 0.000 1.373 249 Y HN 0.725 nan 8.280 nan 0.000 0.451 250 L N -0.015 120.732 121.223 -0.792 0.000 2.703 250 L HA 0.734 5.074 4.340 -0.000 0.000 0.257 250 L C -1.223 175.509 176.870 -0.231 0.000 0.923 250 L CA -1.539 52.886 54.840 -0.691 0.000 0.936 250 L CB 1.718 43.420 42.059 -0.595 0.000 1.482 250 L HN 0.910 nan 8.230 nan 0.000 0.432 251 R N 0.469 120.882 120.500 -0.145 0.000 2.803 251 R HA 0.983 5.323 4.340 -0.000 0.000 0.276 251 R C -0.740 175.536 176.300 -0.040 0.000 0.978 251 R CA -1.035 55.068 56.100 0.004 0.000 0.939 251 R CB 2.473 32.828 30.300 0.091 0.000 1.179 251 R HN 0.630 nan 8.270 nan 0.000 0.472 252 R N 1.117 121.622 120.500 0.009 0.000 2.921 252 R HA 0.144 4.484 4.340 -0.000 0.000 0.269 252 R C -1.560 174.767 176.300 0.046 0.000 1.696 252 R CA -0.231 55.868 56.100 -0.002 0.000 1.161 252 R CB 1.070 31.340 30.300 -0.049 0.000 1.337 252 R HN 0.939 nan 8.270 nan 0.000 0.496 253 E N 2.771 123.008 120.200 0.062 0.000 2.277 253 E HA 0.589 4.939 4.350 -0.000 0.000 0.266 253 E C -1.209 175.428 176.600 0.061 0.000 0.901 253 E CA -1.179 55.270 56.400 0.082 0.000 0.782 253 E CB 2.373 32.147 29.700 0.124 0.000 1.228 253 E HN 0.445 nan 8.360 nan 0.000 0.424 254 Q N 1.518 121.358 119.800 0.067 0.000 2.545 254 Q HA 0.598 4.937 4.340 -0.000 0.000 0.273 254 Q C -1.088 174.968 176.000 0.093 0.000 0.975 254 Q CA -0.984 54.857 55.803 0.063 0.000 0.876 254 Q CB 1.997 30.760 28.738 0.042 0.000 1.472 254 Q HN 0.593 nan 8.270 nan 0.000 0.389 255 M N 1.675 121.347 119.600 0.120 0.000 3.015 255 M HA 0.712 5.192 4.480 -0.000 0.000 0.272 255 M C -2.155 174.311 176.300 0.276 0.000 1.085 255 M CA -0.537 54.875 55.300 0.187 0.000 0.795 255 M CB 1.822 34.477 32.600 0.091 0.000 1.632 255 M HN 1.063 nan 8.290 nan 0.000 0.535 256 F N 0.066 119.995 119.950 -0.035 0.000 2.923 256 F HA 0.810 5.337 4.527 -0.000 0.000 0.323 256 F C -1.530 174.231 175.800 -0.065 0.000 1.189 256 F CA -1.127 56.846 58.000 -0.046 0.000 0.930 256 F CB 0.150 39.121 39.000 -0.048 0.000 1.414 256 F HN 0.311 nan 8.300 nan 0.000 0.496 257 V N 2.529 122.268 119.914 -0.293 0.000 2.405 257 V HA 0.380 4.500 4.120 -0.000 0.000 0.264 257 V C 0.981 176.672 176.094 -0.672 0.000 1.048 257 V CA -0.286 61.769 62.300 -0.408 0.000 0.966 257 V CB 0.250 31.973 31.823 -0.166 0.000 1.015 257 V HN 0.922 nan 8.190 nan 0.000 0.477 258 R N 3.401 123.466 120.500 -0.725 0.000 2.052 258 R HA 0.126 4.466 4.340 -0.000 0.000 0.226 258 R C 0.569 176.455 176.300 -0.691 0.000 1.145 258 R CA 1.500 57.184 56.100 -0.693 0.000 0.952 258 R CB -0.103 29.900 30.300 -0.494 0.000 0.847 258 R HN 0.860 nan 8.270 nan 0.000 0.431 259 H N -2.563 116.283 119.070 -0.373 0.000 2.941 259 H HA 0.551 5.106 4.556 -0.000 0.000 0.344 259 H C -1.455 173.445 175.328 -0.714 0.000 1.235 259 H CA -0.976 54.739 56.048 -0.556 0.000 1.149 259 H CB 1.610 30.933 29.762 -0.731 0.000 1.885 259 H HN -0.092 nan 8.280 nan 0.000 0.558 260 L N 1.624 122.379 121.223 -0.780 0.000 2.381 260 L HA 0.459 4.799 4.340 -0.000 0.000 0.274 260 L C -1.366 174.929 176.870 -0.958 0.000 0.988 260 L CA -0.214 54.204 54.840 -0.702 0.000 0.824 260 L CB 0.773 42.587 42.059 -0.409 0.000 1.263 260 L HN 0.369 nan 8.230 nan 0.000 0.410 261 F N 0.339 119.961 119.950 -0.548 0.000 2.620 261 F HA 0.474 5.000 4.527 -0.000 0.000 0.320 261 F C 0.247 175.865 175.800 -0.304 0.000 1.069 261 F CA -1.098 56.569 58.000 -0.556 0.000 0.953 261 F CB 1.932 40.444 39.000 -0.814 0.000 1.322 261 F HN 0.444 nan 8.300 nan 0.000 0.479 262 N N 0.557 119.422 118.700 0.275 0.000 2.430 262 N HA 0.322 5.062 4.740 -0.000 0.000 0.292 262 N C -0.816 175.000 175.510 0.509 0.000 1.051 262 N CA -0.721 52.564 53.050 0.391 0.000 0.917 262 N CB 0.807 39.452 38.487 0.263 0.000 1.164 262 N HN 0.291 nan 8.380 nan 0.000 0.484 263 R N 1.983 122.754 120.500 0.452 0.000 2.267 263 R HA 0.267 4.607 4.340 -0.000 0.000 0.319 263 R C -0.334 176.038 176.300 0.119 0.000 1.067 263 R CA -0.287 55.961 56.100 0.246 0.000 0.936 263 R CB 0.713 31.071 30.300 0.097 0.000 1.006 263 R HN 0.578 nan 8.270 nan 0.000 0.452 264 A N 1.803 124.665 122.820 0.070 0.000 2.366 264 A HA 0.648 4.968 4.320 -0.000 0.000 0.249 264 A C 0.783 178.369 177.584 0.003 0.000 1.084 264 A CA 0.717 52.773 52.037 0.031 0.000 0.794 264 A CB 0.410 19.413 19.000 0.006 0.000 1.034 264 A HN 0.826 nan 8.150 nan 0.000 0.491 265 G N -0.911 107.891 108.800 0.003 0.000 2.270 265 G HA2 0.471 4.431 3.960 -0.000 0.000 0.268 265 G HA3 0.471 4.431 3.960 -0.000 0.000 0.268 265 G C -0.233 174.667 174.900 -0.001 0.000 1.312 265 G CA 0.237 45.333 45.100 -0.007 0.000 1.050 265 G HN 2.116 nan 8.290 nan 0.000 0.474 266 T N -1.787 112.763 114.554 -0.006 0.000 2.829 266 T HA 0.644 4.994 4.350 -0.000 0.000 0.280 266 T C 0.226 174.920 174.700 -0.009 0.000 0.999 266 T CA -0.106 61.991 62.100 -0.004 0.000 0.983 266 T CB 1.651 70.516 68.868 -0.005 0.000 0.968 266 T HN 1.480 nan 8.240 nan 0.000 0.446 267 V N 3.934 123.844 119.914 -0.007 0.000 2.583 267 V HA 0.189 4.309 4.120 -0.000 0.000 0.302 267 V C 1.706 177.791 176.094 -0.015 0.000 1.033 267 V CA 1.202 63.494 62.300 -0.013 0.000 1.194 267 V CB 0.017 31.835 31.823 -0.009 0.000 0.879 267 V HN 1.209 nan 8.190 nan 0.000 0.482 268 G N 4.338 113.125 108.800 -0.023 0.000 2.437 268 G HA2 0.055 4.015 3.960 -0.000 0.000 0.212 268 G HA3 0.055 4.015 3.960 -0.000 0.000 0.212 268 G C 0.384 175.272 174.900 -0.021 0.000 1.174 268 G CA 0.012 45.098 45.100 -0.023 0.000 0.811 268 G HN 0.660 nan 8.290 nan 0.000 0.537 269 E N -0.048 120.137 120.200 -0.025 0.000 2.210 269 E HA 0.353 4.703 4.350 -0.000 0.000 0.266 269 E C -1.125 175.465 176.600 -0.016 0.000 0.883 269 E CA -0.470 55.918 56.400 -0.020 0.000 0.761 269 E CB 1.928 31.613 29.700 -0.026 0.000 1.156 269 E HN 0.222 nan 8.360 nan 0.000 0.412 270 N N 0.659 119.358 118.700 -0.002 0.000 2.515 270 N HA 0.219 4.958 4.740 -0.000 0.000 0.279 270 N C -0.901 174.623 175.510 0.023 0.000 1.164 270 N CA -0.546 52.510 53.050 0.010 0.000 0.982 270 N CB 0.899 39.402 38.487 0.026 0.000 1.170 270 N HN 0.109 nan 8.380 nan 0.000 0.474 271 V N 3.386 123.317 119.914 0.029 0.000 2.446 271 V HA 0.167 4.287 4.120 -0.000 0.000 0.276 271 V C -2.024 174.176 176.094 0.178 0.000 1.030 271 V CA -1.315 61.020 62.300 0.058 0.000 1.033 271 V CB 0.221 32.025 31.823 -0.031 0.000 0.993 271 V HN 0.675 nan 8.190 nan 0.000 0.477 272 P HA 0.071 nan 4.420 nan 0.000 0.258 272 P C 0.240 177.670 177.300 0.216 0.000 1.187 272 P CA 0.003 63.185 63.100 0.136 0.000 0.767 272 P CB 0.346 32.094 31.700 0.079 0.000 0.770 273 D N 2.016 122.475 120.400 0.098 0.000 2.228 273 D HA -0.231 4.409 4.640 -0.000 0.000 0.203 273 D C 0.964 177.049 176.300 -0.359 0.000 0.988 273 D CA 1.176 55.007 54.000 -0.281 0.000 0.864 273 D CB -0.726 39.927 40.800 -0.244 0.000 0.928 273 D HN 0.450 nan 8.370 nan 0.000 0.469 274 D N 0.864 121.196 120.400 -0.113 0.000 2.379 274 D HA -0.123 4.517 4.640 -0.000 0.000 0.243 274 D C 0.850 177.141 176.300 -0.015 0.000 1.088 274 D CA 0.287 54.241 54.000 -0.076 0.000 0.925 274 D CB -0.269 40.514 40.800 -0.028 0.000 0.888 274 D HN 0.373 nan 8.370 nan 0.000 0.529 275 L N -0.786 120.471 121.223 0.056 0.000 3.122 275 L HA 0.311 4.651 4.340 -0.000 0.000 0.274 275 L C -0.598 176.469 176.870 0.328 0.000 1.222 275 L CA -0.815 54.135 54.840 0.182 0.000 1.028 275 L CB -0.326 41.864 42.059 0.217 0.000 1.386 275 L HN 0.019 nan 8.230 nan 0.000 0.578 276 Y N -2.615 117.698 120.300 0.022 0.000 2.891 276 Y HA 0.598 5.148 4.550 -0.000 0.000 0.361 276 Y C -1.787 174.124 175.900 0.019 0.000 1.255 276 Y CA -1.818 56.297 58.100 0.025 0.000 1.103 276 Y CB 0.403 38.884 38.460 0.035 0.000 1.454 276 Y HN -0.205 nan 8.280 nan 0.000 0.449 277 I N 2.588 123.241 120.570 0.138 0.000 2.377 277 I HA 0.375 4.545 4.170 -0.000 0.000 0.293 277 I C -0.131 176.078 176.117 0.154 0.000 0.987 277 I CA -1.147 60.169 61.300 0.027 0.000 1.185 277 I CB 1.342 39.373 38.000 0.051 0.000 1.341 277 I HN 0.418 nan 8.210 nan 0.000 0.455 278 K N 3.249 123.671 120.400 0.036 0.000 2.559 278 K HA 0.080 4.400 4.320 -0.000 0.000 0.279 278 K C 0.693 177.358 176.600 0.107 0.000 0.967 278 K CA 0.290 56.647 56.287 0.117 0.000 1.000 278 K CB 0.292 32.811 32.500 0.032 0.000 0.890 278 K HN 0.871 nan 8.250 nan 0.000 0.501 279 G N 0.544 109.401 108.800 0.095 0.000 2.467 279 G HA2 0.189 4.149 3.960 -0.000 0.000 0.243 279 G HA3 0.189 4.149 3.960 -0.000 0.000 0.243 279 G C -0.385 174.509 174.900 -0.011 0.000 1.521 279 G CA 0.333 45.441 45.100 0.013 0.000 1.055 279 G HN 0.678 nan 8.290 nan 0.000 0.553 280 S N -2.802 112.868 115.700 -0.049 0.000 2.674 280 S HA 0.521 4.991 4.470 -0.000 0.000 0.321 280 S C 0.314 174.878 174.600 -0.060 0.000 0.934 280 S CA 0.238 58.415 58.200 -0.039 0.000 0.827 280 S CB 0.591 63.779 63.200 -0.021 0.000 1.041 280 S HN 2.734 nan 8.310 nan 0.000 0.470 281 G N 4.412 113.184 108.800 -0.047 0.000 2.591 281 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.298 281 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.298 281 G C 1.251 176.104 174.900 -0.078 0.000 1.195 281 G CA 1.470 46.541 45.100 -0.048 0.000 0.989 281 G HN 2.247 nan 8.290 nan 0.000 0.551 282 S N -0.320 115.329 115.700 -0.084 0.000 2.359 282 S HA -0.190 4.279 4.470 -0.000 0.000 0.224 282 S C 2.547 176.977 174.600 -0.285 0.000 1.035 282 S CA 3.532 61.661 58.200 -0.119 0.000 1.018 282 S CB -1.274 61.886 63.200 -0.068 0.000 0.876 282 S HN 2.110 nan 8.310 nan 0.000 0.448 283 T N 1.290 115.648 114.554 -0.328 0.000 2.867 283 T HA 0.076 4.426 4.350 -0.000 0.000 0.268 283 T C 1.957 176.467 174.700 -0.316 0.000 1.057 283 T CA 1.450 63.246 62.100 -0.507 0.000 1.136 283 T CB -0.872 67.825 68.868 -0.284 0.000 0.874 283 T HN 0.520 nan 8.240 nan 0.000 0.466 284 A N 2.325 125.046 122.820 -0.166 0.000 1.957 284 A HA -0.213 4.107 4.320 -0.000 0.000 0.224 284 A C 1.438 178.979 177.584 -0.072 0.000 1.287 284 A CA 1.988 53.975 52.037 -0.083 0.000 0.682 284 A CB -1.234 17.733 19.000 -0.055 0.000 0.833 284 A HN 0.617 nan 8.150 nan 0.000 0.482 285 N N -0.292 118.346 118.700 -0.103 0.000 2.434 285 N HA 0.479 5.219 4.740 -0.000 0.000 0.272 285 N C -0.860 174.619 175.510 -0.051 0.000 1.040 285 N CA -0.404 52.614 53.050 -0.052 0.000 0.956 285 N CB 0.602 39.075 38.487 -0.023 0.000 1.108 285 N HN 0.181 nan 8.380 nan 0.000 0.481 286 L N 1.795 123.019 121.223 0.002 0.000 2.485 286 L HA 0.263 4.603 4.340 -0.000 0.000 0.275 286 L C 0.837 177.789 176.870 0.137 0.000 1.207 286 L CA 0.281 55.148 54.840 0.044 0.000 0.855 286 L CB 0.251 42.292 42.059 -0.030 0.000 1.114 286 L HN 0.560 nan 8.230 nan 0.000 0.485 287 A N 2.202 125.171 122.820 0.250 0.000 2.269 287 A HA 0.570 4.890 4.320 -0.000 0.000 0.319 287 A C 0.111 177.758 177.584 0.105 0.000 1.110 287 A CA -0.451 51.709 52.037 0.206 0.000 0.847 287 A CB 0.804 19.896 19.000 0.152 0.000 1.161 287 A HN 0.629 nan 8.150 nan 0.000 0.497 288 S N -0.239 115.513 115.700 0.086 0.000 2.552 288 S HA 0.161 4.631 4.470 -0.000 0.000 0.289 288 S C 1.327 175.949 174.600 0.038 0.000 1.304 288 S CA 0.222 58.452 58.200 0.049 0.000 1.063 288 S CB 0.191 63.430 63.200 0.066 0.000 0.848 288 S HN 1.428 nan 8.310 nan 0.000 0.499 289 S N 3.135 118.756 115.700 -0.131 0.000 2.511 289 S HA 0.146 4.616 4.470 -0.000 0.000 0.214 289 S C 0.326 174.388 174.600 -0.897 0.000 0.997 289 S CA -0.370 57.553 58.200 -0.462 0.000 0.908 289 S CB -0.477 62.536 63.200 -0.311 0.000 0.803 289 S HN 0.804 nan 8.310 nan 0.000 0.504 290 N N 2.346 120.828 118.700 -0.363 0.000 2.744 290 N HA 0.154 4.894 4.740 -0.000 0.000 0.290 290 N C -1.078 174.433 175.510 0.002 0.000 1.206 290 N CA -0.196 52.728 53.050 -0.210 0.000 1.119 290 N CB 0.070 38.522 38.487 -0.060 0.000 1.449 290 N HN 0.402 nan 8.380 nan 0.000 0.514 291 Y N 1.438 121.827 120.300 0.148 0.000 2.340 291 Y HA 0.518 5.068 4.550 -0.000 0.000 0.327 291 Y C 0.336 176.434 175.900 0.330 0.000 1.321 291 Y CA -1.237 56.974 58.100 0.185 0.000 1.433 291 Y CB 0.308 38.798 38.460 0.051 0.000 1.373 291 Y HN 0.221 nan 8.280 nan 0.000 0.538 292 F N -1.679 118.447 119.950 0.294 0.000 2.708 292 F HA 0.755 5.282 4.527 -0.000 0.000 0.309 292 F C -3.649 172.287 175.800 0.227 0.000 1.120 292 F CA -2.666 55.486 58.000 0.254 0.000 0.978 292 F CB 1.272 40.426 39.000 0.257 0.000 1.283 292 F HN 0.196 nan 8.300 nan 0.000 0.439 293 P HA 0.435 nan 4.420 nan 0.000 0.285 293 P C -1.204 176.169 177.300 0.121 0.000 1.280 293 P CA -0.487 62.606 63.100 -0.011 0.000 0.862 293 P CB 1.985 33.678 31.700 -0.012 0.000 1.153 294 T N 2.192 116.715 114.554 -0.053 0.000 2.738 294 T HA 0.379 4.729 4.350 -0.000 0.000 0.298 294 T C -2.218 172.370 174.700 -0.186 0.000 0.962 294 T CA -1.483 60.623 62.100 0.008 0.000 0.972 294 T CB 0.305 69.195 68.868 0.036 0.000 0.928 294 T HN 0.351 nan 8.240 nan 0.000 0.474 295 P HA 0.290 nan 4.420 nan 0.000 0.272 295 P C -0.537 176.608 177.300 -0.259 0.000 1.230 295 P CA -0.450 62.485 63.100 -0.275 0.000 0.788 295 P CB 0.860 32.381 31.700 -0.298 0.000 0.949 296 S N 0.846 116.376 115.700 -0.284 0.000 2.614 296 S HA 0.493 4.963 4.470 -0.000 0.000 0.259 296 S C -0.303 174.336 174.600 0.064 0.000 1.118 296 S CA -0.662 57.408 58.200 -0.216 0.000 1.065 296 S CB -0.213 62.644 63.200 -0.571 0.000 1.121 296 S HN 0.582 nan 8.310 nan 0.000 0.458 297 G N 3.102 111.959 108.800 0.094 0.000 2.360 297 G HA2 0.411 4.370 3.960 -0.000 0.000 0.279 297 G HA3 0.411 4.370 3.960 -0.000 0.000 0.279 297 G C 0.419 175.421 174.900 0.170 0.000 1.189 297 G CA -0.134 45.050 45.100 0.140 0.000 0.941 297 G HN 0.753 nan 8.290 nan 0.000 0.445 298 S N 2.636 118.458 115.700 0.203 0.000 2.641 298 S HA 0.155 4.625 4.470 -0.000 0.000 0.251 298 S C 1.178 175.818 174.600 0.067 0.000 1.332 298 S CA -0.591 57.688 58.200 0.131 0.000 0.968 298 S CB 0.153 63.347 63.200 -0.011 0.000 0.987 298 S HN 0.664 nan 8.310 nan 0.000 0.587 299 M N 2.383 122.002 119.600 0.031 0.000 2.246 299 M HA 0.136 4.616 4.480 -0.000 0.000 0.327 299 M C -0.561 175.752 176.300 0.022 0.000 1.090 299 M CA -0.122 55.191 55.300 0.022 0.000 1.087 299 M CB 0.131 32.733 32.600 0.003 0.000 1.587 299 M HN 0.481 nan 8.290 nan 0.000 0.444 300 V N 2.226 122.156 119.914 0.027 0.000 2.713 300 V HA 0.869 4.989 4.120 -0.000 0.000 0.307 300 V C -0.150 175.956 176.094 0.020 0.000 1.052 300 V CA -0.563 61.755 62.300 0.030 0.000 0.967 300 V CB 1.347 33.196 31.823 0.044 0.000 1.019 300 V HN 0.949 nan 8.190 nan 0.000 0.459 301 T N 0.803 115.366 114.554 0.016 0.000 2.864 301 T HA 0.444 4.794 4.350 -0.000 0.000 0.299 301 T C 0.821 175.526 174.700 0.009 0.000 1.166 301 T CA 0.311 62.416 62.100 0.008 0.000 1.007 301 T CB 2.013 70.879 68.868 -0.003 0.000 1.219 301 T HN 0.702 nan 8.240 nan 0.000 0.506 302 S N 1.300 117.003 115.700 0.004 0.000 2.338 302 S HA -0.080 4.390 4.470 -0.000 0.000 0.218 302 S C 1.498 176.093 174.600 -0.009 0.000 1.032 302 S CA 1.543 59.744 58.200 0.002 0.000 0.999 302 S CB -0.479 62.721 63.200 -0.001 0.000 0.905 302 S HN 0.860 nan 8.310 nan 0.000 0.439 303 D N 2.064 122.456 120.400 -0.014 0.000 2.280 303 D HA -0.119 4.521 4.640 -0.000 0.000 0.206 303 D C 1.887 178.170 176.300 -0.029 0.000 0.988 303 D CA 1.149 55.136 54.000 -0.022 0.000 0.886 303 D CB -0.322 40.465 40.800 -0.021 0.000 0.914 303 D HN 0.438 nan 8.370 nan 0.000 0.473 304 A N 0.530 123.336 122.820 -0.024 0.000 1.929 304 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 304 A C 1.321 178.873 177.584 -0.052 0.000 1.176 304 A CA 0.400 52.419 52.037 -0.031 0.000 0.628 304 A CB -0.254 18.738 19.000 -0.013 0.000 0.816 304 A HN 0.018 nan 8.150 nan 0.000 0.444 305 Q N -1.174 118.605 119.800 -0.035 0.000 2.636 305 Q HA -0.050 4.290 4.340 -0.000 0.000 0.384 305 Q C 0.214 176.120 176.000 -0.157 0.000 1.200 305 Q CA 0.690 56.462 55.803 -0.052 0.000 1.120 305 Q CB 0.243 28.977 28.738 -0.006 0.000 1.170 305 Q HN 0.422 nan 8.270 nan 0.000 0.445 306 I N 1.961 122.316 120.570 -0.357 0.000 4.526 306 I HA 0.192 4.362 4.170 -0.000 0.000 0.330 306 I C -0.612 175.163 176.117 -0.570 0.000 1.323 306 I CA 0.178 61.147 61.300 -0.552 0.000 1.218 306 I CB 0.446 37.967 38.000 -0.797 0.000 1.233 306 I HN 0.421 nan 8.210 nan 0.000 0.430 307 F N -0.260 119.722 119.950 0.054 0.000 2.585 307 F HA 0.414 4.940 4.527 -0.000 0.000 0.350 307 F C 1.296 177.067 175.800 -0.048 0.000 1.074 307 F CA -1.073 56.962 58.000 0.058 0.000 1.032 307 F CB -0.046 38.941 39.000 -0.022 0.000 1.330 307 F HN -0.213 nan 8.300 nan 0.000 0.495 308 N N -0.686 118.066 118.700 0.086 0.000 2.782 308 N HA -0.216 4.524 4.740 -0.000 0.000 0.251 308 N C -1.462 173.959 175.510 -0.148 0.000 1.101 308 N CA 0.750 53.764 53.050 -0.059 0.000 0.764 308 N CB -1.006 37.468 38.487 -0.022 0.000 1.122 308 N HN 0.532 nan 8.380 nan 0.000 0.561 309 K N -0.397 119.852 120.400 -0.252 0.000 2.375 309 K HA 0.587 4.906 4.320 -0.000 0.000 0.249 309 K C -2.768 173.288 176.600 -0.906 0.000 0.942 309 K CA -1.836 54.217 56.287 -0.390 0.000 0.806 309 K CB 2.545 34.916 32.500 -0.216 0.000 1.227 309 K HN -0.152 nan 8.250 nan 0.000 0.430 310 P HA 0.203 nan 4.420 nan 0.000 0.286 310 P C -1.497 174.931 177.300 -1.453 0.000 1.261 310 P CA -0.453 61.893 63.100 -1.257 0.000 0.821 310 P CB 0.454 31.506 31.700 -1.079 0.000 1.013 311 Y N -0.070 119.674 120.300 -0.926 0.000 2.338 311 Y HA 0.391 4.941 4.550 -0.000 0.000 0.333 311 Y C -0.434 174.975 175.900 -0.818 0.000 0.968 311 Y CA -0.626 56.979 58.100 -0.824 0.000 1.123 311 Y CB 1.076 39.175 38.460 -0.602 0.000 1.165 311 Y HN 0.342 nan 8.280 nan 0.000 0.452 312 W N 5.287 126.476 121.300 -0.185 0.000 2.291 312 W HA 0.568 5.228 4.660 -0.000 0.000 0.312 312 W C -0.490 175.875 176.519 -0.257 0.000 1.061 312 W CA -0.950 56.289 57.345 -0.178 0.000 1.296 312 W CB 0.963 30.372 29.460 -0.086 0.000 1.223 312 W HN 0.426 nan 8.180 nan 0.000 0.421 313 L N 3.281 124.471 121.223 -0.055 0.000 2.796 313 L HA 0.224 4.564 4.340 -0.000 0.000 0.235 313 L C 1.490 178.327 176.870 -0.054 0.000 1.344 313 L CA -0.377 54.369 54.840 -0.157 0.000 1.245 313 L CB -0.559 41.336 42.059 -0.274 0.000 1.556 313 L HN 0.574 nan 8.230 nan 0.000 0.423 314 Q N 0.120 119.931 119.800 0.019 0.000 2.020 314 Q HA 0.045 4.385 4.340 -0.000 0.000 0.198 314 Q C 0.638 176.647 176.000 0.015 0.000 0.974 314 Q CA 0.720 56.536 55.803 0.023 0.000 0.829 314 Q CB -0.004 28.752 28.738 0.030 0.000 0.894 314 Q HN 0.529 nan 8.270 nan 0.000 0.433 315 R N -0.150 120.368 120.500 0.031 0.000 2.803 315 R HA 0.745 5.085 4.340 -0.000 0.000 0.276 315 R C -1.635 174.710 176.300 0.075 0.000 0.978 315 R CA -0.046 56.082 56.100 0.046 0.000 0.939 315 R CB 2.341 32.670 30.300 0.049 0.000 1.179 315 R HN 0.318 nan 8.270 nan 0.000 0.472 316 A N 1.259 124.136 122.820 0.094 0.000 2.488 316 A HA 0.242 4.562 4.320 -0.000 0.000 0.298 316 A C -0.475 177.186 177.584 0.128 0.000 1.044 316 A CA -0.827 51.300 52.037 0.150 0.000 0.693 316 A CB 1.735 20.852 19.000 0.194 0.000 1.272 316 A HN 0.717 nan 8.150 nan 0.000 0.402 317 Q N 1.086 120.967 119.800 0.135 0.000 2.500 317 Q HA 0.185 4.524 4.340 -0.000 0.000 0.213 317 Q C 0.764 176.796 176.000 0.052 0.000 0.974 317 Q CA 0.974 56.827 55.803 0.084 0.000 0.918 317 Q CB -0.846 27.948 28.738 0.093 0.000 0.980 317 Q HN 0.849 nan 8.270 nan 0.000 0.505 318 G N -0.997 107.872 108.800 0.115 0.000 2.477 318 G HA2 0.291 4.251 3.960 -0.000 0.000 0.304 318 G HA3 0.291 4.251 3.960 -0.000 0.000 0.304 318 G C -0.519 174.457 174.900 0.128 0.000 1.175 318 G CA -0.582 44.591 45.100 0.121 0.000 0.907 318 G HN 0.294 nan 8.290 nan 0.000 0.509 319 H N -0.518 118.689 119.070 0.229 0.000 2.389 319 H HA -0.043 4.512 4.556 -0.000 0.000 0.299 319 H C 1.322 176.843 175.328 0.321 0.000 1.081 319 H CA 1.046 57.255 56.048 0.268 0.000 1.345 319 H CB 0.370 30.314 29.762 0.302 0.000 1.393 319 H HN 0.386 nan 8.280 nan 0.000 0.520 320 N N 1.166 120.161 118.700 0.492 0.000 2.488 320 N HA -0.074 4.666 4.740 -0.000 0.000 0.274 320 N C -0.812 174.910 175.510 0.353 0.000 1.111 320 N CA 0.069 53.396 53.050 0.463 0.000 0.974 320 N CB 0.560 39.375 38.487 0.546 0.000 1.089 320 N HN 0.183 nan 8.380 nan 0.000 0.465 321 N N 2.464 121.277 118.700 0.189 0.000 3.040 321 N HA 0.216 4.956 4.740 -0.000 0.000 0.305 321 N C 0.040 175.468 175.510 -0.138 0.000 1.611 321 N CA 0.147 53.229 53.050 0.052 0.000 1.049 321 N CB -0.508 37.992 38.487 0.023 0.000 1.342 321 N HN 0.819 nan 8.380 nan 0.000 0.497 322 G N 1.455 110.067 108.800 -0.313 0.000 2.225 322 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.264 322 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.264 322 G C -0.131 174.626 174.900 -0.238 0.000 1.060 322 G CA -0.327 44.349 45.100 -0.706 0.000 0.833 322 G HN 0.348 nan 8.290 nan 0.000 0.498 323 I N 1.087 121.568 120.570 -0.148 0.000 2.241 323 I HA 0.192 4.362 4.170 -0.000 0.000 0.294 323 I C 1.225 177.061 176.117 -0.467 0.000 1.145 323 I CA -1.782 59.232 61.300 -0.476 0.000 1.261 323 I CB -0.367 37.041 38.000 -0.987 0.000 1.475 323 I HN 0.228 nan 8.210 nan 0.000 0.533 324 C N 5.194 124.431 119.300 -0.105 0.000 2.833 324 C HA 0.008 4.467 4.460 -0.000 0.000 0.394 324 C C 0.806 175.829 174.990 0.054 0.000 1.136 324 C CA -1.179 57.880 59.018 0.069 0.000 1.250 324 C CB -2.453 25.393 27.740 0.177 0.000 1.848 324 C HN 0.576 nan 8.230 nan 0.000 0.572 325 W N 0.733 122.123 121.300 0.150 0.000 2.170 325 W HA 0.399 5.059 4.660 -0.000 0.000 0.342 325 W C 1.420 177.943 176.519 0.006 0.000 1.294 325 W CA 0.868 58.246 57.345 0.056 0.000 1.246 325 W CB 0.272 29.739 29.460 0.013 0.000 1.156 325 W HN 0.923 nan 8.180 nan 0.000 0.572 326 G N 2.437 111.373 108.800 0.228 0.000 2.212 326 G HA2 -0.444 3.516 3.960 -0.000 0.000 0.267 326 G HA3 -0.444 3.516 3.960 -0.000 0.000 0.267 326 G C 0.366 175.326 174.900 0.100 0.000 1.002 326 G CA 0.368 45.516 45.100 0.080 0.000 0.729 326 G HN 0.823 nan 8.290 nan 0.000 0.517 327 N N -1.140 117.650 118.700 0.149 0.000 2.727 327 N HA -0.173 4.567 4.740 -0.000 0.000 0.249 327 N C 0.270 175.793 175.510 0.022 0.000 1.048 327 N CA 1.961 55.096 53.050 0.142 0.000 0.714 327 N CB -1.080 37.507 38.487 0.167 0.000 0.959 327 N HN 0.884 nan 8.380 nan 0.000 0.544 328 Q N -0.483 119.314 119.800 -0.006 0.000 2.306 328 Q HA 0.820 5.160 4.340 -0.000 0.000 0.269 328 Q C -0.370 175.508 176.000 -0.204 0.000 1.053 328 Q CA -0.716 54.981 55.803 -0.178 0.000 0.879 328 Q CB 2.307 30.945 28.738 -0.168 0.000 1.344 328 Q HN 0.303 nan 8.270 nan 0.000 0.464 329 L N 0.618 121.554 121.223 -0.479 0.000 2.653 329 L HA 0.472 4.812 4.340 -0.000 0.000 0.257 329 L C -1.892 174.581 176.870 -0.661 0.000 0.969 329 L CA -0.575 54.068 54.840 -0.329 0.000 0.869 329 L CB 1.950 43.919 42.059 -0.150 0.000 1.439 329 L HN 0.591 nan 8.230 nan 0.000 0.414 330 F N 2.590 122.547 119.950 0.013 0.000 2.716 330 F HA 0.422 4.949 4.527 -0.000 0.000 0.354 330 F C -0.330 175.528 175.800 0.097 0.000 1.168 330 F CA -0.620 57.363 58.000 -0.028 0.000 1.045 330 F CB 1.779 40.698 39.000 -0.136 0.000 1.311 330 F HN -0.112 nan 8.300 nan 0.000 0.477 331 V N 2.476 122.599 119.914 0.349 0.000 2.370 331 V HA 0.518 4.638 4.120 -0.000 0.000 0.279 331 V C -0.145 176.235 176.094 0.478 0.000 1.029 331 V CA -0.527 62.009 62.300 0.394 0.000 0.870 331 V CB 1.362 33.397 31.823 0.354 0.000 0.984 331 V HN 0.718 nan 8.190 nan 0.000 0.451 332 T N 3.817 118.579 114.554 0.347 0.000 2.786 332 T HA 0.764 5.114 4.350 -0.000 0.000 0.283 332 T C -0.394 174.502 174.700 0.327 0.000 0.992 332 T CA -0.591 61.697 62.100 0.312 0.000 0.954 332 T CB 1.714 70.689 68.868 0.178 0.000 0.934 332 T HN 0.334 nan 8.240 nan 0.000 0.440 333 V N 2.310 122.452 119.914 0.380 0.000 3.102 333 V HA 0.858 4.978 4.120 -0.000 0.000 0.312 333 V C -0.714 175.532 176.094 0.253 0.000 1.135 333 V CA -0.891 61.609 62.300 0.333 0.000 1.022 333 V CB 2.430 34.469 31.823 0.360 0.000 1.056 333 V HN 0.742 nan 8.190 nan 0.000 0.436 334 V N 1.820 121.851 119.914 0.194 0.000 2.789 334 V HA 0.581 4.701 4.120 -0.000 0.000 0.300 334 V C -1.971 174.215 176.094 0.154 0.000 1.184 334 V CA -0.288 62.068 62.300 0.092 0.000 0.930 334 V CB 2.069 33.860 31.823 -0.053 0.000 1.041 334 V HN 1.096 nan 8.190 nan 0.000 0.430 335 D N 2.648 123.108 120.400 0.099 0.000 2.613 335 D HA 0.280 4.920 4.640 -0.000 0.000 0.230 335 D C 0.733 177.103 176.300 0.117 0.000 1.365 335 D CA 0.376 54.454 54.000 0.131 0.000 0.976 335 D CB 2.277 43.017 40.800 -0.102 0.000 1.415 335 D HN 0.553 nan 8.370 nan 0.000 0.589 336 T N 0.188 114.816 114.554 0.123 0.000 2.978 336 T HA -0.113 4.237 4.350 -0.000 0.000 0.262 336 T C 1.932 176.691 174.700 0.100 0.000 1.063 336 T CA 1.795 63.954 62.100 0.098 0.000 1.140 336 T CB -0.629 68.293 68.868 0.091 0.000 0.886 336 T HN 0.441 nan 8.240 nan 0.000 0.470 337 T N 0.998 115.625 114.554 0.120 0.000 2.858 337 T HA -0.244 4.106 4.350 -0.000 0.000 0.263 337 T C 0.990 175.746 174.700 0.092 0.000 1.072 337 T CA 1.247 63.412 62.100 0.109 0.000 1.141 337 T CB -0.695 68.259 68.868 0.143 0.000 0.821 337 T HN 0.632 nan 8.240 nan 0.000 0.517 338 R N 0.764 121.327 120.500 0.104 0.000 2.585 338 R HA 0.460 4.800 4.340 -0.000 0.000 0.278 338 R C 0.761 177.170 176.300 0.182 0.000 1.663 338 R CA 0.207 56.380 56.100 0.122 0.000 1.592 338 R CB 1.258 31.625 30.300 0.112 0.000 1.200 338 R HN 0.388 nan 8.270 nan 0.000 0.611 339 S N -1.559 114.188 115.700 0.079 0.000 2.505 339 S HA -0.019 4.451 4.470 -0.000 0.000 0.216 339 S C 0.782 175.245 174.600 -0.229 0.000 1.018 339 S CA -0.406 57.733 58.200 -0.102 0.000 0.911 339 S CB 0.233 63.374 63.200 -0.098 0.000 0.818 339 S HN 0.400 nan 8.310 nan 0.000 0.497 340 T N 4.238 118.777 114.554 -0.025 0.000 2.718 340 T HA 0.069 4.419 4.350 -0.000 0.000 0.265 340 T C -0.345 174.383 174.700 0.047 0.000 1.014 340 T CA 0.089 62.191 62.100 0.003 0.000 1.172 340 T CB -0.575 68.326 68.868 0.054 0.000 1.007 340 T HN 0.498 nan 8.240 nan 0.000 0.500 341 N N 2.623 121.320 118.700 -0.005 0.000 2.361 341 N HA 0.537 5.277 4.740 -0.000 0.000 0.302 341 N C -0.019 175.533 175.510 0.071 0.000 1.074 341 N CA -1.061 52.027 53.050 0.063 0.000 0.850 341 N CB 1.202 39.678 38.487 -0.019 0.000 1.228 341 N HN 0.686 nan 8.380 nan 0.000 0.491 342 M N -0.689 118.963 119.600 0.088 0.000 2.209 342 M HA 0.483 4.963 4.480 -0.000 0.000 0.355 342 M C -0.894 175.449 176.300 0.072 0.000 1.171 342 M CA -0.679 54.663 55.300 0.071 0.000 1.069 342 M CB 1.085 33.727 32.600 0.070 0.000 1.622 342 M HN 0.409 nan 8.290 nan 0.000 0.459 343 S N 5.985 121.726 115.700 0.068 0.000 2.416 343 S HA 0.622 5.092 4.470 -0.000 0.000 0.287 343 S C -0.116 174.543 174.600 0.097 0.000 1.139 343 S CA -1.027 57.221 58.200 0.081 0.000 1.058 343 S CB -0.001 63.236 63.200 0.062 0.000 0.967 343 S HN 0.761 nan 8.310 nan 0.000 0.495 344 L N 1.165 122.471 121.223 0.137 0.000 2.334 344 L HA 0.948 5.288 4.340 -0.000 0.000 0.276 344 L C -0.326 176.684 176.870 0.234 0.000 1.014 344 L CA -0.977 53.955 54.840 0.153 0.000 0.815 344 L CB 1.211 43.345 42.059 0.125 0.000 1.268 344 L HN 0.796 nan 8.230 nan 0.000 0.428 345 C N 2.033 121.463 119.300 0.217 0.000 2.626 345 C HA 0.989 5.449 4.460 -0.000 0.000 0.310 345 C C 0.073 175.235 174.990 0.285 0.000 1.191 345 C CA 0.024 59.206 59.018 0.274 0.000 1.517 345 C CB 0.804 28.678 27.740 0.223 0.000 2.102 345 C HN 1.274 nan 8.230 nan 0.000 0.479 346 A N 2.881 125.888 122.820 0.312 0.000 2.365 346 A HA 0.944 5.264 4.320 -0.000 0.000 0.318 346 A C 0.053 177.720 177.584 0.140 0.000 1.091 346 A CA 0.080 52.248 52.037 0.218 0.000 0.763 346 A CB 1.186 20.299 19.000 0.188 0.000 1.248 346 A HN 2.285 nan 8.150 nan 0.000 0.442 347 A N 0.781 123.589 122.820 -0.019 0.000 2.264 347 A HA 0.615 4.935 4.320 -0.000 0.000 0.304 347 A C 0.641 178.081 177.584 -0.239 0.000 1.100 347 A CA -0.177 51.627 52.037 -0.389 0.000 0.839 347 A CB 0.306 18.948 19.000 -0.596 0.000 1.121 347 A HN 1.448 nan 8.150 nan 0.000 0.496 348 I N -0.115 120.272 120.570 -0.306 0.000 3.462 348 I HA 0.124 4.293 4.170 -0.000 0.000 0.290 348 I C 0.269 176.294 176.117 -0.153 0.000 1.236 348 I CA 0.959 62.158 61.300 -0.168 0.000 1.418 348 I CB 0.192 38.108 38.000 -0.139 0.000 1.102 348 I HN 0.491 nan 8.210 nan 0.000 0.441 349 S N -0.928 114.647 115.700 -0.210 0.000 2.614 349 S HA 0.358 4.828 4.470 -0.000 0.000 0.275 349 S C 0.067 174.581 174.600 -0.143 0.000 1.161 349 S CA -0.486 57.628 58.200 -0.143 0.000 0.969 349 S CB 0.933 64.061 63.200 -0.119 0.000 1.059 349 S HN 0.180 nan 8.310 nan 0.000 0.482 350 T N 0.811 115.315 114.554 -0.085 0.000 3.418 350 T HA 0.297 4.647 4.350 -0.000 0.000 0.239 350 T C 0.795 175.476 174.700 -0.033 0.000 0.905 350 T CA -0.327 61.742 62.100 -0.053 0.000 0.929 350 T CB -0.849 68.003 68.868 -0.027 0.000 1.121 350 T HN 0.561 nan 8.240 nan 0.000 0.608 351 S N 1.069 116.743 115.700 -0.043 0.000 3.853 351 S HA 0.327 4.797 4.470 -0.000 0.000 0.186 351 S C -0.284 174.312 174.600 -0.008 0.000 0.956 351 S CA -1.041 57.145 58.200 -0.023 0.000 1.468 351 S CB -0.336 62.847 63.200 -0.028 0.000 0.854 351 S HN 0.516 nan 8.310 nan 0.000 0.807 352 E N 2.368 122.562 120.200 -0.011 0.000 2.768 352 E HA -0.137 4.213 4.350 -0.000 0.000 0.345 352 E C -0.196 176.425 176.600 0.036 0.000 0.688 352 E CA 0.904 57.308 56.400 0.007 0.000 1.238 352 E CB -0.706 28.991 29.700 -0.005 0.000 0.667 352 E HN 0.560 nan 8.360 nan 0.000 0.455 353 T N 0.702 115.281 114.554 0.042 0.000 3.278 353 T HA 0.122 4.472 4.350 -0.000 0.000 0.251 353 T C 0.044 174.790 174.700 0.077 0.000 1.039 353 T CA -0.105 62.030 62.100 0.059 0.000 0.935 353 T CB -0.244 68.650 68.868 0.044 0.000 1.034 353 T HN 0.461 nan 8.240 nan 0.000 0.575 354 T N 0.619 115.224 114.554 0.085 0.000 2.861 354 T HA 0.415 4.765 4.350 -0.000 0.000 0.287 354 T C -0.979 173.811 174.700 0.150 0.000 1.003 354 T CA -0.890 61.276 62.100 0.109 0.000 0.977 354 T CB 1.440 70.354 68.868 0.077 0.000 0.996 354 T HN 0.223 nan 8.240 nan 0.000 0.448 355 Y N 3.254 123.605 120.300 0.084 0.000 2.605 355 Y HA 0.225 4.775 4.550 -0.000 0.000 0.336 355 Y C 0.116 176.093 175.900 0.130 0.000 1.111 355 Y CA 0.082 58.249 58.100 0.112 0.000 1.422 355 Y CB 0.270 38.736 38.460 0.010 0.000 1.193 355 Y HN 0.388 nan 8.280 nan 0.000 0.526 356 K N 6.289 126.439 120.400 -0.417 0.000 2.389 356 K HA 0.133 4.453 4.320 -0.000 0.000 0.261 356 K C 0.281 176.613 176.600 -0.448 0.000 1.014 356 K CA -0.516 55.596 56.287 -0.292 0.000 0.920 356 K CB 1.220 33.653 32.500 -0.112 0.000 1.149 356 K HN 0.787 nan 8.250 nan 0.000 0.444 357 N N 0.882 119.365 118.700 -0.362 0.000 2.096 357 N HA -0.202 4.538 4.740 -0.000 0.000 0.195 357 N C 1.238 176.740 175.510 -0.013 0.000 1.017 357 N CA 2.273 55.257 53.050 -0.111 0.000 0.870 357 N CB -0.026 38.519 38.487 0.097 0.000 1.024 357 N HN 0.585 nan 8.380 nan 0.000 0.434 358 T N -2.412 112.124 114.554 -0.031 0.000 3.160 358 T HA 0.019 4.369 4.350 -0.000 0.000 0.257 358 T C 1.257 175.927 174.700 -0.051 0.000 1.147 358 T CA 0.499 62.586 62.100 -0.021 0.000 1.064 358 T CB -0.131 68.720 68.868 -0.028 0.000 0.949 358 T HN 0.141 nan 8.240 nan 0.000 0.526 359 N N 0.417 119.075 118.700 -0.071 0.000 2.353 359 N HA 0.153 4.893 4.740 -0.000 0.000 0.185 359 N C -0.954 174.245 175.510 -0.519 0.000 1.098 359 N CA -0.387 52.490 53.050 -0.289 0.000 0.872 359 N CB -0.040 38.204 38.487 -0.405 0.000 0.970 359 N HN 0.359 nan 8.380 nan 0.000 0.467 360 F N 0.286 120.174 119.950 -0.103 0.000 2.529 360 F HA 0.461 4.988 4.527 -0.000 0.000 0.320 360 F C 0.200 175.975 175.800 -0.042 0.000 1.118 360 F CA -0.990 56.986 58.000 -0.040 0.000 0.915 360 F CB 1.657 40.654 39.000 -0.005 0.000 1.161 360 F HN -0.401 nan 8.300 nan 0.000 0.445 361 K N 2.274 122.745 120.400 0.118 0.000 2.211 361 K HA 0.324 4.644 4.320 -0.000 0.000 0.275 361 K C -0.522 175.987 176.600 -0.151 0.000 1.024 361 K CA -0.658 55.588 56.287 -0.068 0.000 0.887 361 K CB 0.976 33.432 32.500 -0.072 0.000 1.084 361 K HN 0.466 nan 8.250 nan 0.000 0.463 362 E N 2.536 122.576 120.200 -0.267 0.000 2.216 362 E HA 0.257 4.607 4.350 -0.000 0.000 0.279 362 E C -1.002 175.365 176.600 -0.388 0.000 0.997 362 E CA -0.283 56.011 56.400 -0.176 0.000 0.817 362 E CB 1.068 30.735 29.700 -0.055 0.000 1.096 362 E HN 0.369 nan 8.360 nan 0.000 0.393 363 Y N 0.642 120.990 120.300 0.079 0.000 2.605 363 Y HA 0.522 5.072 4.550 -0.000 0.000 0.343 363 Y C -0.195 175.736 175.900 0.052 0.000 1.036 363 Y CA -0.932 57.214 58.100 0.077 0.000 1.065 363 Y CB 1.599 40.103 38.460 0.074 0.000 1.288 363 Y HN 0.216 nan 8.280 nan 0.000 0.481 364 L N 2.858 124.211 121.223 0.216 0.000 2.409 364 L HA 0.695 5.035 4.340 -0.000 0.000 0.272 364 L C -0.813 176.038 176.870 -0.032 0.000 0.980 364 L CA -0.869 54.002 54.840 0.052 0.000 0.826 364 L CB 1.701 43.737 42.059 -0.038 0.000 1.268 364 L HN 0.493 nan 8.230 nan 0.000 0.407 365 R N 1.506 122.011 120.500 0.009 0.000 2.771 365 R HA 0.549 4.889 4.340 -0.000 0.000 0.274 365 R C -1.406 174.945 176.300 0.085 0.000 0.987 365 R CA -0.814 55.294 56.100 0.013 0.000 0.908 365 R CB 2.373 32.691 30.300 0.030 0.000 1.213 365 R HN 0.662 nan 8.270 nan 0.000 0.468 366 H N -0.352 118.694 119.070 -0.040 0.000 2.806 366 H HA 0.633 5.189 4.556 -0.000 0.000 0.367 366 H C -1.073 174.262 175.328 0.013 0.000 1.136 366 H CA -0.659 55.380 56.048 -0.014 0.000 1.178 366 H CB 2.344 32.086 29.762 -0.033 0.000 1.718 366 H HN 0.747 nan 8.280 nan 0.000 0.540 367 G N 2.265 110.769 108.800 -0.494 0.000 2.533 367 G HA2 0.412 4.372 3.960 -0.000 0.000 0.304 367 G HA3 0.412 4.372 3.960 -0.000 0.000 0.304 367 G C -1.371 173.262 174.900 -0.445 0.000 1.263 367 G CA -0.526 44.359 45.100 -0.359 0.000 0.964 367 G HN 0.512 nan 8.290 nan 0.000 0.479 368 E N -0.317 119.786 120.200 -0.161 0.000 2.246 368 E HA 0.395 4.745 4.350 -0.000 0.000 0.266 368 E C -1.114 175.597 176.600 0.184 0.000 0.880 368 E CA -0.558 55.862 56.400 0.034 0.000 0.762 368 E CB 2.171 31.921 29.700 0.084 0.000 1.180 368 E HN 0.490 nan 8.360 nan 0.000 0.416 369 E N 3.088 123.428 120.200 0.232 0.000 2.133 369 E HA 0.387 4.737 4.350 -0.000 0.000 0.274 369 E C -1.302 175.462 176.600 0.274 0.000 0.930 369 E CA -0.558 55.962 56.400 0.201 0.000 0.770 369 E CB 0.639 30.379 29.700 0.067 0.000 1.104 369 E HN 0.383 nan 8.360 nan 0.000 0.403 370 Y N 1.812 122.069 120.300 -0.072 0.000 2.581 370 Y HA 0.444 4.994 4.550 -0.000 0.000 0.345 370 Y C -0.850 174.942 175.900 -0.179 0.000 1.036 370 Y CA -1.212 56.797 58.100 -0.152 0.000 1.042 370 Y CB 2.444 40.781 38.460 -0.206 0.000 1.289 370 Y HN 0.578 nan 8.280 nan 0.000 0.471 371 D N 1.083 121.416 120.400 -0.111 0.000 2.795 371 D HA 0.533 5.173 4.640 -0.000 0.000 0.206 371 D C -1.958 174.198 176.300 -0.240 0.000 1.278 371 D CA -0.274 53.639 54.000 -0.144 0.000 0.839 371 D CB 1.030 41.773 40.800 -0.096 0.000 1.700 371 D HN 0.451 nan 8.370 nan 0.000 0.549 372 L N 2.301 123.357 121.223 -0.278 0.000 2.313 372 L HA 0.747 5.087 4.340 -0.000 0.000 0.268 372 L C -0.227 176.337 176.870 -0.510 0.000 1.010 372 L CA -0.876 53.689 54.840 -0.457 0.000 0.814 372 L CB 1.917 43.702 42.059 -0.458 0.000 1.304 372 L HN 0.448 nan 8.230 nan 0.000 0.441 373 Q N 0.760 119.956 119.800 -1.006 0.000 2.438 373 Q HA 0.590 4.930 4.340 -0.000 0.000 0.272 373 Q C -1.952 173.343 176.000 -1.174 0.000 0.994 373 Q CA -0.519 54.810 55.803 -0.790 0.000 0.887 373 Q CB 2.858 31.397 28.738 -0.331 0.000 1.432 373 Q HN 0.396 nan 8.270 nan 0.000 0.392 374 F N 0.301 120.009 119.950 -0.402 0.000 2.715 374 F HA 0.718 5.245 4.527 -0.000 0.000 0.318 374 F C -0.945 174.477 175.800 -0.631 0.000 1.141 374 F CA -1.063 56.628 58.000 -0.516 0.000 0.950 374 F CB 0.763 39.378 39.000 -0.642 0.000 1.374 374 F HN 0.314 nan 8.300 nan 0.000 0.477 375 I N 1.264 121.480 120.570 -0.590 0.000 2.498 375 I HA 0.578 4.748 4.170 -0.000 0.000 0.290 375 I C -1.462 174.172 176.117 -0.804 0.000 1.032 375 I CA -0.442 60.513 61.300 -0.575 0.000 1.073 375 I CB 1.601 39.192 38.000 -0.682 0.000 1.251 375 I HN 0.367 nan 8.210 nan 0.000 0.426 376 F N 4.172 123.961 119.950 -0.268 0.000 2.551 376 F HA 0.563 5.090 4.527 -0.000 0.000 0.316 376 F C 0.019 175.876 175.800 0.095 0.000 1.089 376 F CA -0.689 57.222 58.000 -0.149 0.000 0.915 376 F CB 1.685 40.433 39.000 -0.421 0.000 1.186 376 F HN 0.292 nan 8.300 nan 0.000 0.456 377 Q N 2.617 122.601 119.800 0.307 0.000 2.271 377 Q HA 0.511 4.851 4.340 -0.000 0.000 0.258 377 Q C -1.256 174.898 176.000 0.257 0.000 0.936 377 Q CA -1.069 54.781 55.803 0.078 0.000 0.909 377 Q CB 1.786 30.501 28.738 -0.038 0.000 1.253 377 Q HN 0.674 nan 8.270 nan 0.000 0.440 378 L N 3.460 124.750 121.223 0.113 0.000 2.436 378 L HA 0.398 4.738 4.340 -0.000 0.000 0.265 378 L C -1.311 175.436 176.870 -0.204 0.000 1.168 378 L CA 0.121 54.885 54.840 -0.126 0.000 0.815 378 L CB 0.941 42.797 42.059 -0.338 0.000 1.109 378 L HN 0.849 nan 8.230 nan 0.000 0.462 379 C N 3.545 122.687 119.300 -0.264 0.000 2.880 379 C HA 0.647 5.107 4.460 -0.000 0.000 0.320 379 C C -0.543 174.336 174.990 -0.186 0.000 1.176 379 C CA -1.276 57.638 59.018 -0.173 0.000 1.390 379 C CB 1.871 29.545 27.740 -0.109 0.000 1.846 379 C HN 0.890 nan 8.230 nan 0.000 0.478 380 K N 1.196 121.529 120.400 -0.112 0.000 2.221 380 K HA 0.934 5.254 4.320 -0.000 0.000 0.243 380 K C -1.448 175.159 176.600 0.011 0.000 0.968 380 K CA -0.544 55.686 56.287 -0.095 0.000 0.846 380 K CB 1.558 34.027 32.500 -0.051 0.000 1.141 380 K HN 0.623 nan 8.250 nan 0.000 0.434 381 I N 2.012 122.605 120.570 0.039 0.000 2.531 381 I HA 0.095 4.265 4.170 -0.000 0.000 0.283 381 I C -0.819 175.364 176.117 0.110 0.000 1.083 381 I CA -0.739 60.640 61.300 0.132 0.000 1.071 381 I CB 2.320 40.484 38.000 0.273 0.000 1.210 381 I HN 0.762 nan 8.210 nan 0.000 0.450 382 T N 5.816 120.433 114.554 0.106 0.000 2.829 382 T HA 0.295 4.645 4.350 -0.000 0.000 0.293 382 T C -0.021 174.739 174.700 0.101 0.000 0.970 382 T CA -0.207 61.941 62.100 0.080 0.000 1.168 382 T CB 0.068 68.976 68.868 0.067 0.000 0.911 382 T HN 0.297 nan 8.240 nan 0.000 0.535 383 L N 4.379 125.648 121.223 0.076 0.000 2.272 383 L HA 0.421 4.761 4.340 -0.000 0.000 0.284 383 L C 1.118 178.011 176.870 0.039 0.000 1.045 383 L CA -0.758 54.133 54.840 0.085 0.000 0.842 383 L CB 0.418 42.534 42.059 0.094 0.000 1.224 383 L HN 0.867 nan 8.230 nan 0.000 0.430 384 T N -0.470 114.110 114.554 0.044 0.000 2.922 384 T HA 0.694 5.044 4.350 -0.000 0.000 0.281 384 T C 1.188 175.896 174.700 0.012 0.000 1.005 384 T CA 0.079 62.189 62.100 0.016 0.000 0.982 384 T CB 1.832 70.712 68.868 0.019 0.000 1.158 384 T HN 0.409 nan 8.240 nan 0.000 0.566 385 A N 1.650 124.468 122.820 -0.004 0.000 1.908 385 A HA -0.165 4.155 4.320 -0.000 0.000 0.211 385 A C 1.843 179.434 177.584 0.012 0.000 1.225 385 A CA 2.659 54.691 52.037 -0.008 0.000 0.689 385 A CB -1.920 17.072 19.000 -0.013 0.000 0.843 385 A HN 1.033 nan 8.150 nan 0.000 0.472 386 D N -0.219 120.190 120.400 0.014 0.000 2.248 386 D HA -0.240 4.400 4.640 -0.000 0.000 0.189 386 D C 1.641 177.971 176.300 0.049 0.000 1.011 386 D CA 1.997 56.012 54.000 0.026 0.000 0.868 386 D CB -1.277 39.529 40.800 0.010 0.000 0.931 386 D HN 0.227 nan 8.370 nan 0.000 0.449 387 V N 0.380 120.319 119.914 0.043 0.000 2.235 387 V HA -0.402 3.718 4.120 -0.000 0.000 0.244 387 V C 2.470 178.628 176.094 0.106 0.000 1.036 387 V CA 2.351 64.692 62.300 0.069 0.000 1.001 387 V CB -0.844 31.037 31.823 0.097 0.000 0.643 387 V HN 0.186 nan 8.190 nan 0.000 0.463 388 M N 0.089 119.748 119.600 0.098 0.000 3.092 388 M HA -0.341 4.138 4.480 -0.000 0.000 0.270 388 M C 2.257 178.614 176.300 0.094 0.000 1.042 388 M CA 3.406 58.767 55.300 0.101 0.000 1.052 388 M CB -0.902 31.724 32.600 0.043 0.000 1.250 388 M HN 0.730 nan 8.290 nan 0.000 0.529 389 T N -0.861 113.729 114.554 0.061 0.000 2.481 389 T HA -0.358 3.992 4.350 -0.000 0.000 0.252 389 T C 1.394 176.155 174.700 0.102 0.000 1.242 389 T CA 2.306 64.440 62.100 0.057 0.000 1.170 389 T CB -1.541 67.352 68.868 0.041 0.000 0.860 389 T HN 0.591 nan 8.240 nan 0.000 0.422 390 Y N 2.287 122.568 120.300 -0.030 0.000 2.062 390 Y HA -0.302 4.248 4.550 -0.000 0.000 0.273 390 Y C 2.182 178.016 175.900 -0.111 0.000 1.206 390 Y CA 1.507 59.566 58.100 -0.070 0.000 1.125 390 Y CB -0.833 37.532 38.460 -0.158 0.000 0.951 390 Y HN 0.216 nan 8.280 nan 0.000 0.501 391 I N -0.262 120.251 120.570 -0.095 0.000 2.076 391 I HA -0.393 3.777 4.170 -0.000 0.000 0.237 391 I C 2.758 178.696 176.117 -0.299 0.000 1.059 391 I CA 2.134 63.273 61.300 -0.269 0.000 1.317 391 I CB -1.169 36.787 38.000 -0.073 0.000 1.037 391 I HN 0.428 nan 8.210 nan 0.000 0.398 392 H N 1.384 120.339 119.070 -0.191 0.000 2.252 392 H HA -0.225 4.331 4.556 -0.000 0.000 0.292 392 H C 2.293 177.496 175.328 -0.207 0.000 1.082 392 H CA 2.610 58.559 56.048 -0.166 0.000 1.229 392 H CB -0.349 29.364 29.762 -0.081 0.000 1.353 392 H HN 0.349 nan 8.280 nan 0.000 0.488 393 S N 1.357 117.073 115.700 0.026 0.000 2.372 393 S HA -0.302 4.168 4.470 -0.000 0.000 0.227 393 S C 2.463 176.913 174.600 -0.250 0.000 1.044 393 S CA 1.959 60.135 58.200 -0.041 0.000 1.050 393 S CB -0.711 62.497 63.200 0.013 0.000 0.901 393 S HN 0.572 nan 8.310 nan 0.000 0.447 394 M N 1.656 120.984 119.600 -0.453 0.000 2.065 394 M HA -0.101 4.379 4.480 -0.000 0.000 0.259 394 M C 0.527 176.406 176.300 -0.702 0.000 1.069 394 M CA 1.771 56.590 55.300 -0.803 0.000 1.110 394 M CB -0.034 31.830 32.600 -1.226 0.000 1.328 394 M HN 0.443 nan 8.290 nan 0.000 0.405 395 N N -0.318 118.011 118.700 -0.618 0.000 3.049 395 N HA 0.047 4.787 4.740 -0.000 0.000 0.241 395 N C 0.236 175.451 175.510 -0.492 0.000 1.323 395 N CA 0.318 53.055 53.050 -0.522 0.000 0.824 395 N CB 0.817 38.978 38.487 -0.544 0.000 1.557 395 N HN 0.353 nan 8.380 nan 0.000 0.612 396 S N 2.115 117.500 115.700 -0.524 0.000 2.460 396 S HA -0.370 4.100 4.470 -0.000 0.000 0.241 396 S C 2.182 176.620 174.600 -0.269 0.000 1.051 396 S CA 2.616 60.538 58.200 -0.463 0.000 1.223 396 S CB -1.662 61.300 63.200 -0.397 0.000 1.160 396 S HN 0.874 nan 8.310 nan 0.000 0.424 397 T N 2.724 117.141 114.554 -0.228 0.000 2.481 397 T HA -0.400 3.950 4.350 -0.000 0.000 0.229 397 T C 1.631 176.173 174.700 -0.263 0.000 1.382 397 T CA 2.483 64.467 62.100 -0.193 0.000 1.082 397 T CB -1.896 66.864 68.868 -0.180 0.000 0.821 397 T HN 0.541 nan 8.240 nan 0.000 0.457 398 I N 1.470 121.807 120.570 -0.388 0.000 2.267 398 I HA -0.356 3.814 4.170 -0.000 0.000 0.239 398 I C 2.708 178.397 176.117 -0.713 0.000 0.984 398 I CA 2.526 63.455 61.300 -0.617 0.000 1.272 398 I CB -0.698 36.871 38.000 -0.718 0.000 0.976 398 I HN 0.332 nan 8.210 nan 0.000 0.407 399 L N -0.298 120.756 121.223 -0.282 0.000 2.007 399 L HA -0.128 4.212 4.340 -0.000 0.000 0.205 399 L C 2.427 179.375 176.870 0.130 0.000 1.073 399 L CA 1.518 56.444 54.840 0.142 0.000 0.744 399 L CB -0.840 41.417 42.059 0.329 0.000 0.898 399 L HN 0.111 nan 8.230 nan 0.000 0.435 400 E N 0.404 120.642 120.200 0.063 0.000 2.086 400 E HA -0.305 4.045 4.350 -0.000 0.000 0.205 400 E C 1.880 178.472 176.600 -0.013 0.000 1.027 400 E CA 1.907 58.340 56.400 0.055 0.000 0.830 400 E CB -0.201 29.503 29.700 0.008 0.000 0.751 400 E HN 0.484 nan 8.360 nan 0.000 0.456 401 D N -0.416 119.923 120.400 -0.102 0.000 2.133 401 D HA -0.179 4.461 4.640 -0.000 0.000 0.195 401 D C 0.599 176.869 176.300 -0.049 0.000 0.997 401 D CA 0.745 54.676 54.000 -0.115 0.000 0.840 401 D CB -0.274 40.395 40.800 -0.217 0.000 0.947 401 D HN 0.164 nan 8.370 nan 0.000 0.452 402 W N 1.255 122.470 121.300 -0.140 0.000 2.034 402 W HA 0.176 4.836 4.660 -0.000 0.000 0.357 402 W C 0.954 177.155 176.519 -0.530 0.000 1.326 402 W CA -0.300 56.871 57.345 -0.291 0.000 1.318 402 W CB -0.367 28.906 29.460 -0.312 0.000 1.193 402 W HN -0.153 nan 8.180 nan 0.000 0.620 403 N N 0.558 119.047 118.700 -0.350 0.000 2.295 403 N HA 0.355 5.095 4.740 -0.000 0.000 0.293 403 N C -1.886 173.300 175.510 -0.539 0.000 1.040 403 N CA -0.586 52.199 53.050 -0.442 0.000 0.840 403 N CB 0.668 39.071 38.487 -0.139 0.000 1.468 403 N HN 0.056 nan 8.380 nan 0.000 0.478 404 F N 1.365 121.366 119.950 0.085 0.000 2.307 404 F HA 0.467 4.994 4.527 -0.000 0.000 0.369 404 F C 1.432 177.264 175.800 0.053 0.000 1.076 404 F CA -1.147 56.886 58.000 0.055 0.000 1.149 404 F CB 0.916 39.950 39.000 0.057 0.000 1.410 404 F HN 0.460 nan 8.300 nan 0.000 0.481 405 G N 3.258 112.151 108.800 0.155 0.000 2.321 405 G HA2 0.277 4.237 3.960 -0.000 0.000 0.237 405 G HA3 0.277 4.237 3.960 -0.000 0.000 0.237 405 G C 0.066 175.069 174.900 0.172 0.000 1.282 405 G CA -0.770 44.407 45.100 0.129 0.000 0.886 405 G HN 0.575 nan 8.290 nan 0.000 0.528 406 L N 1.006 122.336 121.223 0.178 0.000 2.573 406 L HA 0.307 4.646 4.340 -0.000 0.000 0.290 406 L C 0.432 177.513 176.870 0.352 0.000 1.247 406 L CA 0.315 55.305 54.840 0.249 0.000 0.876 406 L CB -0.350 41.859 42.059 0.251 0.000 1.123 406 L HN 0.574 nan 8.230 nan 0.000 0.505 407 Q N 2.255 122.204 119.800 0.250 0.000 2.451 407 Q HA 0.579 4.919 4.340 -0.000 0.000 0.281 407 Q C -2.510 173.153 176.000 -0.561 0.000 1.099 407 Q CA -1.784 54.038 55.803 0.031 0.000 0.806 407 Q CB 2.506 31.228 28.738 -0.026 0.000 1.419 407 Q HN 0.561 nan 8.270 nan 0.000 0.427 408 P HA 0.119 nan 4.420 nan 0.000 0.271 408 P C -2.560 174.422 177.300 -0.530 0.000 1.233 408 P CA -1.125 61.284 63.100 -1.151 0.000 0.764 408 P CB -0.059 31.242 31.700 -0.666 0.000 0.825 409 P HA 0.147 nan 4.420 nan 0.000 0.266 409 P C -2.132 175.074 177.300 -0.156 0.000 1.215 409 P CA -1.158 61.817 63.100 -0.210 0.000 0.763 409 P CB -0.821 30.798 31.700 -0.136 0.000 0.806 410 P HA 0.010 nan 4.420 nan 0.000 0.262 410 P C 1.046 178.309 177.300 -0.062 0.000 1.199 410 P CA 0.633 63.681 63.100 -0.086 0.000 0.763 410 P CB 0.294 31.951 31.700 -0.072 0.000 0.790 411 G N 2.928 111.696 108.800 -0.052 0.000 2.216 411 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.269 411 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.269 411 G C 0.703 175.586 174.900 -0.028 0.000 0.981 411 G CA 0.279 45.358 45.100 -0.034 0.000 0.658 411 G HN 0.926 nan 8.290 nan 0.000 0.539 412 G N -0.398 108.379 108.800 -0.037 0.000 2.568 412 G HA2 0.407 4.367 3.960 -0.000 0.000 0.231 412 G HA3 0.407 4.367 3.960 -0.000 0.000 0.231 412 G C 0.564 175.462 174.900 -0.003 0.000 1.261 412 G CA 0.735 45.822 45.100 -0.023 0.000 0.855 412 G HN 0.675 nan 8.290 nan 0.000 0.576 413 T N 1.970 116.529 114.554 0.008 0.000 2.933 413 T HA -0.002 4.348 4.350 -0.000 0.000 0.306 413 T C 2.019 176.741 174.700 0.038 0.000 1.045 413 T CA 0.102 62.213 62.100 0.018 0.000 1.143 413 T CB 0.405 69.284 68.868 0.019 0.000 1.003 413 T HN 0.389 nan 8.240 nan 0.000 0.540 414 L N 2.607 123.851 121.223 0.036 0.000 2.034 414 L HA -0.187 4.153 4.340 -0.000 0.000 0.217 414 L C 2.734 179.666 176.870 0.104 0.000 1.077 414 L CA 1.567 56.443 54.840 0.060 0.000 0.769 414 L CB -0.792 41.285 42.059 0.030 0.000 0.890 414 L HN 0.549 nan 8.230 nan 0.000 0.435 415 E N 0.607 120.849 120.200 0.069 0.000 2.068 415 E HA -0.256 4.094 4.350 -0.000 0.000 0.207 415 E C 1.823 178.528 176.600 0.175 0.000 1.032 415 E CA 2.054 58.513 56.400 0.099 0.000 0.839 415 E CB -0.399 29.333 29.700 0.053 0.000 0.758 415 E HN 0.578 nan 8.360 nan 0.000 0.457 416 D N -0.353 120.118 120.400 0.119 0.000 2.137 416 D HA -0.208 4.432 4.640 -0.000 0.000 0.193 416 D C 2.073 178.476 176.300 0.171 0.000 0.993 416 D CA 2.706 56.778 54.000 0.120 0.000 0.846 416 D CB -1.423 39.415 40.800 0.064 0.000 0.990 416 D HN 0.421 nan 8.370 nan 0.000 0.448 417 T N -0.819 113.815 114.554 0.134 0.000 2.602 417 T HA -0.396 3.954 4.350 -0.000 0.000 0.264 417 T C 1.993 176.866 174.700 0.289 0.000 1.085 417 T CA 2.274 64.472 62.100 0.164 0.000 1.164 417 T CB -1.291 67.640 68.868 0.106 0.000 0.860 417 T HN 0.233 nan 8.240 nan 0.000 0.442 418 Y N 2.746 123.120 120.300 0.123 0.000 1.979 418 Y HA -0.223 4.327 4.550 -0.000 0.000 0.262 418 Y C 2.901 178.863 175.900 0.102 0.000 1.142 418 Y CA 2.224 60.383 58.100 0.099 0.000 1.096 418 Y CB -0.641 37.853 38.460 0.057 0.000 0.958 418 Y HN 0.119 nan 8.280 nan 0.000 0.484 419 R N -0.646 119.929 120.500 0.126 0.000 2.134 419 R HA -0.288 4.052 4.340 -0.000 0.000 0.248 419 R C 2.278 178.552 176.300 -0.043 0.000 1.143 419 R CA 2.215 58.313 56.100 -0.002 0.000 0.957 419 R CB -1.292 29.083 30.300 0.125 0.000 0.867 419 R HN 0.554 nan 8.270 nan 0.000 0.441 420 F N 1.650 121.568 119.950 -0.053 0.000 2.027 420 F HA -0.328 4.199 4.527 -0.000 0.000 0.297 420 F C 2.156 177.905 175.800 -0.086 0.000 1.129 420 F CA 2.055 60.028 58.000 -0.046 0.000 1.195 420 F CB -0.887 38.102 39.000 -0.018 0.000 0.960 420 F HN -0.221 nan 8.300 nan 0.000 0.485 421 V N 1.129 120.845 119.914 -0.329 0.000 2.218 421 V HA -0.474 3.646 4.120 -0.000 0.000 0.251 421 V C 2.337 178.151 176.094 -0.465 0.000 1.057 421 V CA 3.085 65.109 62.300 -0.461 0.000 1.022 421 V CB -1.835 29.877 31.823 -0.186 0.000 0.645 421 V HN 0.643 nan 8.190 nan 0.000 0.451 422 T N 1.043 115.336 114.554 -0.435 0.000 2.493 422 T HA -0.337 4.013 4.350 -0.000 0.000 0.256 422 T C 1.946 176.487 174.700 -0.264 0.000 1.195 422 T CA 2.671 64.558 62.100 -0.355 0.000 1.183 422 T CB -0.979 67.657 68.868 -0.387 0.000 0.863 422 T HN 0.629 nan 8.240 nan 0.000 0.418 423 S N 1.939 117.497 115.700 -0.238 0.000 2.369 423 S HA -0.291 4.179 4.470 -0.000 0.000 0.225 423 S C 2.087 176.555 174.600 -0.220 0.000 1.043 423 S CA 1.621 59.718 58.200 -0.173 0.000 1.074 423 S CB -0.787 62.341 63.200 -0.121 0.000 0.962 423 S HN 0.533 nan 8.310 nan 0.000 0.433 424 Q N 1.695 121.249 119.800 -0.409 0.000 2.077 424 Q HA -0.218 4.122 4.340 -0.000 0.000 0.206 424 Q C 2.346 178.189 176.000 -0.262 0.000 0.989 424 Q CA 1.957 57.502 55.803 -0.431 0.000 0.853 424 Q CB -0.568 27.621 28.738 -0.915 0.000 0.907 424 Q HN 0.572 nan 8.270 nan 0.000 0.418 425 A N 1.327 123.988 122.820 -0.266 0.000 1.865 425 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 425 A C 1.880 179.394 177.584 -0.116 0.000 1.191 425 A CA 1.787 53.722 52.037 -0.170 0.000 0.623 425 A CB -0.915 17.984 19.000 -0.167 0.000 0.826 425 A HN 0.573 nan 8.150 nan 0.000 0.444 426 I N -2.542 117.964 120.570 -0.107 0.000 3.555 426 I HA 0.335 4.505 4.170 -0.000 0.000 0.304 426 I C 1.391 177.518 176.117 0.016 0.000 1.246 426 I CA 0.684 61.949 61.300 -0.058 0.000 1.220 426 I CB -0.557 37.417 38.000 -0.044 0.000 1.001 426 I HN 0.120 nan 8.210 nan 0.000 0.513 427 A N -0.193 122.629 122.820 0.005 0.000 2.303 427 A HA 0.256 4.575 4.320 -0.000 0.000 0.217 427 A C 1.362 179.036 177.584 0.149 0.000 1.205 427 A CA 0.253 52.349 52.037 0.098 0.000 0.875 427 A CB -0.551 18.455 19.000 0.009 0.000 0.910 427 A HN 0.646 nan 8.150 nan 0.000 0.501 428 C N 0.409 119.720 119.300 0.018 0.000 2.469 428 C HA 0.324 4.784 4.460 -0.000 0.000 0.298 428 C C 0.775 175.679 174.990 -0.143 0.000 1.436 428 C CA -0.631 58.376 59.018 -0.018 0.000 1.783 428 C CB -1.016 26.703 27.740 -0.034 0.000 2.726 428 C HN 0.454 nan 8.230 nan 0.000 0.541 429 Q N 1.338 120.900 119.800 -0.397 0.000 2.387 429 Q HA 0.070 4.410 4.340 -0.000 0.000 0.211 429 Q C 1.058 176.748 176.000 -0.517 0.000 0.952 429 Q CA 0.163 55.602 55.803 -0.607 0.000 0.957 429 Q CB -0.391 27.794 28.738 -0.923 0.000 1.002 429 Q HN 0.691 nan 8.270 nan 0.000 0.502 430 K N -0.022 120.237 120.400 -0.234 0.000 3.495 430 K HA -0.177 4.143 4.320 -0.000 0.000 0.315 430 K C -0.338 176.304 176.600 0.071 0.000 1.301 430 K CA 1.324 57.584 56.287 -0.045 0.000 0.985 430 K CB -1.746 30.719 32.500 -0.059 0.000 1.244 430 K HN 0.633 nan 8.250 nan 0.000 0.433 431 H N 0.524 119.586 119.070 -0.014 0.000 3.082 431 H HA 0.250 4.806 4.556 -0.000 0.000 0.275 431 H C -0.078 175.244 175.328 -0.010 0.000 1.032 431 H CA 0.178 56.220 56.048 -0.011 0.000 1.477 431 H CB 0.004 29.759 29.762 -0.012 0.000 1.520 431 H HN -0.105 nan 8.280 nan 0.000 0.521 432 T N 6.717 121.342 114.554 0.118 0.000 3.368 432 T HA 0.207 4.557 4.350 -0.000 0.000 0.321 432 T C -2.239 172.468 174.700 0.010 0.000 1.830 432 T CA -0.984 61.143 62.100 0.045 0.000 1.494 432 T CB 0.273 69.163 68.868 0.036 0.000 1.045 432 T HN 0.568 nan 8.240 nan 0.000 0.729 433 P HA 0.373 nan 4.420 nan 0.000 0.206 433 P C -2.672 174.608 177.300 -0.034 0.000 1.867 433 P CA -1.244 61.843 63.100 -0.021 0.000 0.991 433 P CB -0.161 31.525 31.700 -0.024 0.000 1.822 434 P HA 0.376 nan 4.420 nan 0.000 0.273 434 P C -0.223 177.068 177.300 -0.016 0.000 1.531 434 P CA -0.595 62.490 63.100 -0.025 0.000 1.027 434 P CB 0.772 32.459 31.700 -0.021 0.000 1.387 435 A N 6.511 129.322 122.820 -0.015 0.000 2.513 435 A HA 0.268 4.588 4.320 -0.000 0.000 0.274 435 A C -1.386 176.194 177.584 -0.007 0.000 1.115 435 A CA -0.818 51.213 52.037 -0.010 0.000 0.792 435 A CB -0.978 18.017 19.000 -0.009 0.000 1.053 435 A HN 0.424 nan 8.150 nan 0.000 0.515 436 P HA 0.163 nan 4.420 nan 0.000 0.264 436 P C -0.291 177.009 177.300 0.001 0.000 1.193 436 P CA -0.147 62.951 63.100 -0.002 0.000 0.763 436 P CB 0.512 32.210 31.700 -0.003 0.000 0.810 437 K N 1.356 121.758 120.400 0.004 0.000 2.185 437 K HA 0.132 4.452 4.320 -0.000 0.000 0.245 437 K C 0.599 177.208 176.600 0.014 0.000 1.035 437 K CA -0.046 56.246 56.287 0.007 0.000 0.847 437 K CB 0.315 32.820 32.500 0.008 0.000 1.056 437 K HN 0.460 nan 8.250 nan 0.000 0.518 438 E N 0.894 121.105 120.200 0.018 0.000 2.187 438 E HA 0.029 4.379 4.350 -0.000 0.000 0.268 438 E C -1.086 175.540 176.600 0.043 0.000 0.896 438 E CA -0.840 55.574 56.400 0.024 0.000 0.766 438 E CB 1.234 30.943 29.700 0.016 0.000 1.142 438 E HN 0.594 nan 8.360 nan 0.000 0.408 439 D N 6.311 126.747 120.400 0.060 0.000 2.455 439 D HA -0.052 4.588 4.640 -0.000 0.000 0.265 439 D C -1.491 174.867 176.300 0.095 0.000 1.284 439 D CA -1.283 52.776 54.000 0.098 0.000 0.944 439 D CB 0.971 41.843 40.800 0.119 0.000 1.121 439 D HN 0.246 nan 8.370 nan 0.000 0.525 440 P HA -0.058 nan 4.420 nan 0.000 0.239 440 P C 0.078 177.465 177.300 0.146 0.000 1.184 440 P CA 0.507 63.663 63.100 0.093 0.000 0.760 440 P CB 0.027 31.771 31.700 0.073 0.000 0.884 441 L N -1.832 119.509 121.223 0.197 0.000 3.439 441 L HA 0.337 4.676 4.340 -0.000 0.000 0.313 441 L C 1.997 178.998 176.870 0.218 0.000 1.292 441 L CA -0.124 54.909 54.840 0.321 0.000 1.020 441 L CB -0.235 42.080 42.059 0.427 0.000 1.424 441 L HN -0.266 nan 8.230 nan 0.000 0.612 442 K N 0.980 121.439 120.400 0.099 0.000 2.127 442 K HA -0.249 4.071 4.320 -0.000 0.000 0.208 442 K C 1.908 178.466 176.600 -0.070 0.000 1.047 442 K CA 1.403 57.702 56.287 0.019 0.000 0.927 442 K CB 0.208 32.709 32.500 0.002 0.000 0.716 442 K HN 0.112 nan 8.250 nan 0.000 0.450 443 K N 0.541 120.862 120.400 -0.132 0.000 2.015 443 K HA -0.175 4.145 4.320 -0.000 0.000 0.220 443 K C 0.774 177.134 176.600 -0.400 0.000 1.055 443 K CA 1.542 57.624 56.287 -0.342 0.000 0.951 443 K CB -0.828 31.302 32.500 -0.617 0.000 0.725 443 K HN 0.207 nan 8.250 nan 0.000 0.449 444 Y N 0.363 120.561 120.300 -0.170 0.000 2.296 444 Y HA 0.159 4.709 4.550 -0.000 0.000 0.343 444 Y C 0.765 176.323 175.900 -0.570 0.000 1.292 444 Y CA -0.191 57.721 58.100 -0.314 0.000 1.490 444 Y CB 0.412 38.713 38.460 -0.265 0.000 1.359 444 Y HN 0.059 nan 8.280 nan 0.000 0.599 445 T N -0.246 113.954 114.554 -0.590 0.000 3.105 445 T HA 0.725 5.075 4.350 -0.000 0.000 0.321 445 T C -1.245 173.058 174.700 -0.662 0.000 1.135 445 T CA -0.900 60.792 62.100 -0.681 0.000 1.053 445 T CB 0.871 69.568 68.868 -0.286 0.000 1.133 445 T HN 0.464 nan 8.240 nan 0.000 0.463 446 F N -1.386 118.610 119.950 0.077 0.000 2.869 446 F HA 0.722 5.249 4.527 -0.000 0.000 0.325 446 F C -0.955 174.894 175.800 0.082 0.000 1.184 446 F CA -2.398 55.636 58.000 0.055 0.000 0.951 446 F CB 0.505 39.560 39.000 0.093 0.000 1.421 446 F HN 0.653 nan 8.300 nan 0.000 0.501 447 W N 3.594 124.976 121.300 0.136 0.000 2.565 447 W HA 0.229 4.889 4.660 -0.000 0.000 0.325 447 W C -0.293 176.355 176.519 0.215 0.000 1.408 447 W CA 0.112 57.492 57.345 0.058 0.000 1.350 447 W CB 0.085 29.408 29.460 -0.228 0.000 1.426 447 W HN 0.413 nan 8.180 nan 0.000 0.538 448 E N 3.768 124.357 120.200 0.649 0.000 2.338 448 E HA 0.243 4.593 4.350 -0.000 0.000 0.272 448 E C -0.489 176.455 176.600 0.573 0.000 1.029 448 E CA -0.345 56.386 56.400 0.552 0.000 0.872 448 E CB 1.556 31.493 29.700 0.394 0.000 1.015 448 E HN 0.199 nan 8.360 nan 0.000 0.417 449 V N 2.392 122.577 119.914 0.452 0.000 2.439 449 V HA 0.214 4.334 4.120 -0.000 0.000 0.277 449 V C 0.031 176.289 176.094 0.274 0.000 1.008 449 V CA -1.191 61.298 62.300 0.314 0.000 0.846 449 V CB 1.072 33.021 31.823 0.210 0.000 1.031 449 V HN 0.479 nan 8.190 nan 0.000 0.441 450 N N 4.067 122.898 118.700 0.219 0.000 2.488 450 N HA 0.419 5.159 4.740 -0.000 0.000 0.274 450 N C 0.118 175.689 175.510 0.102 0.000 1.111 450 N CA -0.099 53.034 53.050 0.139 0.000 0.974 450 N CB 1.839 40.362 38.487 0.061 0.000 1.089 450 N HN 0.738 nan 8.380 nan 0.000 0.465 451 L N 3.111 124.378 121.223 0.073 0.000 3.039 451 L HA 0.149 4.489 4.340 -0.000 0.000 0.269 451 L C 1.772 178.685 176.870 0.072 0.000 1.169 451 L CA -0.093 54.792 54.840 0.075 0.000 0.986 451 L CB 0.197 42.278 42.059 0.037 0.000 1.377 451 L HN 0.496 nan 8.230 nan 0.000 0.575 452 K N 0.977 121.373 120.400 -0.006 0.000 2.207 452 K HA -0.247 4.073 4.320 -0.000 0.000 0.208 452 K C 0.594 177.185 176.600 -0.014 0.000 1.046 452 K CA 1.596 57.841 56.287 -0.071 0.000 0.929 452 K CB -0.050 32.419 32.500 -0.051 0.000 0.720 452 K HN 0.134 nan 8.250 nan 0.000 0.463 453 E N -0.189 120.043 120.200 0.053 0.000 2.651 453 E HA 0.084 4.434 4.350 -0.000 0.000 0.213 453 E C -0.257 176.434 176.600 0.152 0.000 1.028 453 E CA -0.025 56.426 56.400 0.086 0.000 1.183 453 E CB 0.624 30.359 29.700 0.058 0.000 1.188 453 E HN 0.071 nan 8.360 nan 0.000 0.444 454 K N -0.230 120.304 120.400 0.223 0.000 2.520 454 K HA 0.185 4.505 4.320 -0.000 0.000 0.206 454 K C -0.333 176.426 176.600 0.265 0.000 1.122 454 K CA -0.252 56.172 56.287 0.228 0.000 1.045 454 K CB 0.701 33.296 32.500 0.159 0.000 0.932 454 K HN 0.026 nan 8.250 nan 0.000 0.571 455 F N 1.865 121.838 119.950 0.038 0.000 2.429 455 F HA 0.276 4.803 4.527 -0.000 0.000 0.348 455 F C 0.976 176.958 175.800 0.303 0.000 1.109 455 F CA -0.063 57.974 58.000 0.063 0.000 1.232 455 F CB 1.281 40.196 39.000 -0.142 0.000 1.157 455 F HN -0.172 nan 8.300 nan 0.000 0.564 456 S N 1.126 117.118 115.700 0.487 0.000 2.579 456 S HA 0.764 5.234 4.470 -0.000 0.000 0.272 456 S C 0.004 174.630 174.600 0.043 0.000 1.141 456 S CA -0.003 58.426 58.200 0.382 0.000 0.843 456 S CB 1.433 64.811 63.200 0.296 0.000 1.122 456 S HN 0.721 nan 8.310 nan 0.000 0.468 457 A N 1.453 124.207 122.820 -0.109 0.000 1.938 457 A HA 0.272 4.592 4.320 -0.000 0.000 0.207 457 A C 0.178 177.721 177.584 -0.068 0.000 1.292 457 A CA 0.752 52.574 52.037 -0.358 0.000 0.700 457 A CB -0.849 17.959 19.000 -0.320 0.000 0.947 457 A HN 0.862 nan 8.150 nan 0.000 0.476 458 D N 1.867 122.302 120.400 0.059 0.000 2.598 458 D HA 0.218 4.857 4.640 -0.000 0.000 0.231 458 D C 0.822 177.245 176.300 0.205 0.000 1.127 458 D CA -0.076 53.984 54.000 0.099 0.000 1.126 458 D CB -0.582 40.268 40.800 0.083 0.000 1.124 458 D HN 0.448 nan 8.370 nan 0.000 0.485 459 L N -0.393 120.937 121.223 0.178 0.000 2.349 459 L HA -0.161 4.179 4.340 -0.000 0.000 0.220 459 L C 1.892 178.917 176.870 0.258 0.000 1.130 459 L CA 0.990 55.993 54.840 0.272 0.000 0.791 459 L CB -0.600 41.556 42.059 0.162 0.000 0.918 459 L HN 0.176 nan 8.230 nan 0.000 0.444 460 D N 0.437 120.910 120.400 0.122 0.000 2.190 460 D HA -0.225 4.415 4.640 -0.000 0.000 0.200 460 D C 2.049 178.331 176.300 -0.030 0.000 0.992 460 D CA 1.181 55.204 54.000 0.039 0.000 0.854 460 D CB 0.034 40.837 40.800 0.005 0.000 0.936 460 D HN 0.288 nan 8.370 nan 0.000 0.462 461 Q N -0.897 118.841 119.800 -0.103 0.000 2.482 461 Q HA 0.073 4.412 4.340 -0.000 0.000 0.209 461 Q C -0.486 175.019 176.000 -0.825 0.000 0.961 461 Q CA 0.374 55.904 55.803 -0.454 0.000 0.945 461 Q CB -0.040 28.338 28.738 -0.600 0.000 1.012 461 Q HN 0.359 nan 8.270 nan 0.000 0.515 462 F N -0.249 119.609 119.950 -0.153 0.000 2.576 462 F HA 0.300 4.827 4.527 -0.000 0.000 0.313 462 F C -1.560 174.186 175.800 -0.090 0.000 1.078 462 F CA -2.530 55.354 58.000 -0.194 0.000 0.921 462 F CB 1.423 40.150 39.000 -0.455 0.000 1.232 462 F HN -0.263 nan 8.300 nan 0.000 0.459 463 P HA -0.183 nan 4.420 nan 0.000 0.210 463 P C 2.034 179.401 177.300 0.111 0.000 1.189 463 P CA 1.450 64.592 63.100 0.070 0.000 0.920 463 P CB 0.598 32.320 31.700 0.038 0.000 0.782 464 L N -0.504 120.794 121.223 0.125 0.000 2.010 464 L HA -0.223 4.117 4.340 -0.000 0.000 0.219 464 L C 2.656 179.672 176.870 0.242 0.000 1.077 464 L CA 2.469 57.399 54.840 0.150 0.000 0.773 464 L CB -1.523 40.595 42.059 0.098 0.000 0.892 464 L HN 0.086 nan 8.230 nan 0.000 0.436 465 G N -0.654 108.283 108.800 0.227 0.000 2.679 465 G HA2 -0.356 3.603 3.960 -0.000 0.000 0.217 465 G HA3 -0.356 3.603 3.960 -0.000 0.000 0.217 465 G C 1.429 176.454 174.900 0.209 0.000 1.267 465 G CA 1.214 46.456 45.100 0.237 0.000 0.799 465 G HN 0.357 nan 8.290 nan 0.000 0.606 466 R N 0.390 120.968 120.500 0.131 0.000 2.179 466 R HA -0.196 4.144 4.340 -0.000 0.000 0.238 466 R C 2.640 178.968 176.300 0.047 0.000 1.119 466 R CA 2.131 58.266 56.100 0.058 0.000 0.915 466 R CB -0.523 29.797 30.300 0.034 0.000 0.870 466 R HN 0.312 nan 8.270 nan 0.000 0.432 467 K N -0.151 120.307 120.400 0.097 0.000 1.986 467 K HA -0.266 4.054 4.320 -0.000 0.000 0.230 467 K C 1.860 178.514 176.600 0.090 0.000 1.048 467 K CA 2.349 58.714 56.287 0.129 0.000 1.008 467 K CB -0.730 31.905 32.500 0.224 0.000 0.737 467 K HN 0.130 nan 8.250 nan 0.000 0.447 468 F N 1.530 121.535 119.950 0.092 0.000 2.032 468 F HA -0.341 4.186 4.527 -0.000 0.000 0.297 468 F C 1.928 177.495 175.800 -0.387 0.000 1.125 468 F CA 1.819 59.623 58.000 -0.325 0.000 1.202 468 F CB -0.875 38.029 39.000 -0.161 0.000 0.958 468 F HN 0.119 nan 8.300 nan 0.000 0.491 469 L N 0.226 121.156 121.223 -0.489 0.000 1.981 469 L HA -0.324 4.016 4.340 -0.000 0.000 0.237 469 L C 2.707 179.236 176.870 -0.569 0.000 1.095 469 L CA 2.255 56.737 54.840 -0.596 0.000 0.820 469 L CB -1.015 40.950 42.059 -0.156 0.000 0.914 469 L HN 0.583 nan 8.230 nan 0.000 0.442 470 L N -0.662 120.376 121.223 -0.309 0.000 2.030 470 L HA -0.353 3.987 4.340 -0.000 0.000 0.222 470 L C 2.656 179.333 176.870 -0.321 0.000 1.082 470 L CA 2.367 57.059 54.840 -0.248 0.000 0.785 470 L CB -0.863 41.110 42.059 -0.144 0.000 0.895 470 L HN 0.610 nan 8.230 nan 0.000 0.439 471 Q N -0.059 119.516 119.800 -0.375 0.000 1.978 471 Q HA -0.302 4.038 4.340 -0.000 0.000 0.211 471 Q C 2.293 177.991 176.000 -0.503 0.000 1.013 471 Q CA 2.799 58.352 55.803 -0.416 0.000 0.869 471 Q CB -0.704 27.700 28.738 -0.555 0.000 0.953 471 Q HN 0.651 nan 8.270 nan 0.000 0.415 472 L N -0.490 120.280 121.223 -0.755 0.000 2.083 472 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 472 L C 1.913 178.522 176.870 -0.434 0.000 1.083 472 L CA 2.575 57.031 54.840 -0.640 0.000 0.752 472 L CB -1.243 40.288 42.059 -0.880 0.000 0.899 472 L HN 0.714 nan 8.230 nan 0.000 0.433 473 G N -0.704 107.838 108.800 -0.431 0.000 4.677 473 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.215 473 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.215 473 G C 0.337 175.084 174.900 -0.256 0.000 1.506 473 G CA 0.231 45.162 45.100 -0.282 0.000 1.016 473 G HN 0.454 nan 8.290 nan 0.000 0.653 474 L N 0.000 121.082 121.223 -0.235 0.000 2.949 474 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 474 L CA 0.000 54.739 54.840 -0.168 0.000 0.813 474 L CB 0.000 41.995 42.059 -0.106 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502